NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
15515 | 1yg3 | 6509 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H5* A 3 1H5* A 3 26.300 -4.832 26.432 2 2H5* A 3 2H5* A 3 24.611 -5.031 27.004 3 H4* A 3 H4* A 3 24.522 -3.280 25.422 4 H3* A 3 H3* A 3 23.993 -5.671 23.522 5 H2* A 3 H2* A 3 23.551 -4.033 21.903 6 2HO* A 3 2HO* A 3 23.085 -1.969 22.333 7 H1* A 3 H1* A 3 25.938 -2.625 22.484 8 H8 A 3 H8 A 3 27.304 -5.620 22.688 9 1H6 A 3 1H6 A 3 28.179 -6.394 17.968 10 2H6 A 3 2H6 A 3 27.433 -5.760 16.490 11 H2 A 3 H2 A 3 24.164 -2.977 17.837 12 1H5* G 4 1H5* G 4 21.012 -4.400 23.175 13 2H5* G 4 2H5* G 4 19.325 -4.894 23.444 14 H4* G 4 H4* G 4 19.497 -4.513 21.145 15 H3* G 4 H3* G 4 20.513 -7.510 21.051 16 H2* G 4 H2* G 4 20.476 -7.282 18.673 17 2HO* G 4 2HO* G 4 19.619 -5.427 17.703 18 H1* G 4 H1* G 4 21.577 -4.750 18.740 19 H8 G 4 H8 G 4 23.759 -6.435 21.048 20 H1 G 4 H1 G 4 24.760 -7.256 14.729 21 1H2 G 4 1H2 G 4 21.300 -6.177 14.796 22 2H2 G 4 2H2 G 4 22.649 -6.671 13.815 23 1H5* U 5 1H5* U 5 16.832 -7.617 18.952 24 2H5* U 5 2H5* U 5 15.759 -8.994 19.257 25 H4* U 5 H4* U 5 16.137 -8.729 16.850 26 H3* U 5 H3* U 5 17.840 -11.127 17.759 27 H2* U 5 H2* U 5 18.184 -11.466 15.411 28 2HO* U 5 2HO* U 5 15.979 -9.771 15.239 29 H1* U 5 H1* U 5 18.728 -8.907 14.902 30 H3 U 5 H3 U 5 22.920 -10.102 14.610 31 H5 U 5 H5 U 5 22.307 -9.447 18.726 32 H6 U 5 H6 U 5 19.886 -9.378 18.286 33 1H5* G 6 1H5* G 6 15.315 -12.529 15.286 34 2H5* G 6 2H5* G 6 14.660 -14.178 15.197 35 H4* G 6 H4* G 6 16.168 -13.794 13.463 36 H3* G 6 H3* G 6 17.263 -15.601 15.562 37 H2* G 6 H2* G 6 19.092 -16.031 14.070 38 2HO* G 6 2HO* G 6 17.215 -15.204 12.196 39 H1* G 6 H1* G 6 19.239 -13.473 13.128 40 H8 G 6 H8 G 6 19.144 -13.163 16.907 41 H1 G 6 H1 G 6 25.010 -13.480 14.429 42 1H2 G 6 1H2 G 6 23.405 -14.826 11.557 43 2H2 G 6 2H2 G 6 24.905 -14.332 12.310 44 1H5* G 7 1H5* G 7 18.572 -19.958 14.020 45 2H5* G 7 2H5* G 7 18.344 -18.925 15.460 46 H4* G 7 H4* G 7 20.132 -18.016 13.210 47 H3* G 7 H3* G 7 20.561 -20.452 14.824 48 H2* G 7 H2* G 7 22.282 -19.669 16.004 49 2HO* G 7 2HO* G 7 23.171 -19.413 13.427 50 H1* G 7 H1* G 7 22.415 -17.162 14.676 51 H8 G 7 H8 G 7 20.508 -16.604 17.783 52 H1 G 7 H1 G 7 26.802 -15.162 17.976 53 1H2 G 7 1H2 G 7 26.803 -17.335 15.074 54 2H2 G 7 2H2 G 7 27.736 -16.313 16.139 55 1H5* CH 8 1H5* CH 8 23.357 -23.867 13.291 56 2H5* CH 8 2H5* CH 8 22.751 -22.759 14.573 57 H4* CH 8 H4* CH 8 25.506 -22.483 13.170 58 H3* CH 8 H3* CH 8 24.869 -23.164 16.248 59 H2* CH 8 H2* CH 8 27.162 -22.388 16.458 60 2HO* CH 8 2HO* CH 8 28.377 -21.767 14.491 61 H1* CH 8 H1* CH 8 26.981 -20.673 14.567 62 HN3 CH 8 HN3 CH 8 28.724 -18.553 17.990 63 1H4 CH 8 1H4 CH 8 26.256 -17.139 20.036 64 2H4 CH 8 2H4 CH 8 27.959 -17.085 19.793 65 H5 CH 8 H5 CH 8 24.619 -18.609 18.964 66 H6 CH 8 H6 CH 8 24.271 -20.163 17.015 67 1H5* G 9 1H5* G 9 23.001 -26.699 17.277 68 2H5* G 9 2H5* G 9 22.103 -25.175 17.497 69 H4* G 9 H4* G 9 22.795 -26.214 19.651 70 H3* G 9 H3* G 9 23.139 -23.562 18.914 71 H2* G 9 H2* G 9 25.354 -23.509 18.542 72 2HO* G 9 2HO* G 9 24.815 -22.983 21.131 73 H1* G 9 H1* G 9 25.964 -25.551 20.682 74 H8 G 9 H8 G 9 26.728 -24.454 17.083 75 H1 G 9 H1 G 9 31.421 -27.716 19.884 76 1H2 G 9 1H2 G 9 30.749 -28.457 21.863 77 2H2 G 9 2H2 G 9 29.146 -28.146 22.488 78 1H5* C 10 1H5* C 10 22.947 -23.960 23.702 79 2H5* C 10 2H5* C 10 21.973 -22.663 24.369 80 H4* C 10 H4* C 10 23.884 -22.763 25.880 81 H3* C 10 H3* C 10 25.299 -20.966 23.824 82 H2* C 10 H2* C 10 26.902 -20.787 25.322 83 2HO* C 10 2HO* C 10 26.737 -21.671 27.354 84 H1* C 10 H1* C 10 26.908 -23.548 25.665 85 1H4 C 10 1H4 C 10 30.012 -24.371 20.135 86 2H4 C 10 2H4 C 10 31.282 -23.932 21.273 87 H5 C 10 H5 C 10 27.669 -24.071 20.599 88 H6 C 10 H6 C 10 26.055 -23.702 22.199 89 1H5* C 11 1H5* C 11 24.102 -16.133 26.825 90 2H5* C 11 2H5* C 11 23.921 -17.052 25.293 91 H4* C 11 H4* C 11 26.234 -17.588 27.209 92 H3* C 11 H3* C 11 26.383 -15.195 25.291 93 H2* C 11 H2* C 11 28.397 -15.930 24.522 94 2HO* C 11 2HO* C 11 29.908 -16.931 25.974 95 H1* C 11 H1* C 11 28.255 -18.569 25.758 96 1H4 C 11 1H4 C 11 28.991 -20.992 20.068 97 2H4 C 11 2H4 C 11 30.563 -20.638 20.608 98 H5 C 11 H5 C 11 26.912 -20.077 21.133 99 H6 C 11 H6 C 11 26.224 -18.691 22.884 100 1H5* G 12 1H5* G 12 27.669 -10.920 26.506 101 2H5* G 12 2H5* G 12 26.817 -12.218 25.565 102 H4* G 12 H4* G 12 29.846 -12.220 26.277 103 H3* G 12 H3* G 12 28.954 -10.802 23.641 104 H2* G 12 H2* G 12 30.560 -11.851 22.558 105 2HO* G 12 2HO* G 12 31.847 -11.774 24.992 106 H1* G 12 H1* G 12 31.007 -13.954 23.903 107 H8 G 12 H8 G 12 27.517 -14.543 22.950 108 H1 G 12 H1 G 12 31.932 -16.909 19.160 109 1H2 G 12 1H2 G 12 34.210 -14.878 20.927 110 2H2 G 12 2H2 G 12 33.990 -16.069 19.654 111 1H5* A 13 1H5* A 13 33.745 -11.650 22.866 112 2H5* A 13 2H5* A 13 34.283 -9.973 22.822 113 H4* A 13 H4* A 13 34.119 -11.371 20.524 114 H3* A 13 H3* A 13 33.808 -8.583 20.832 115 H2* A 13 H2* A 13 31.633 -8.282 20.413 116 2HO* A 13 2HO* A 13 31.093 -8.386 18.162 117 H1* A 13 H1* A 13 31.001 -10.738 18.932 118 H8 A 13 H8 A 13 30.554 -8.810 22.320 119 1H6 A 13 1H6 A 13 24.551 -9.716 21.803 120 2H6 A 13 2H6 A 13 25.833 -9.033 22.777 121 H2 A 13 H2 A 13 26.500 -11.652 18.284 122 1H5* C 14 1H5* C 14 34.530 -13.583 19.430 123 2H5* C 14 2H5* C 14 35.614 -12.868 18.253 124 H4* C 14 H4* C 14 34.934 -14.928 17.268 125 H3* C 14 H3* C 14 33.272 -12.710 16.107 126 H2* C 14 H2* C 14 31.499 -14.159 15.475 127 2HO* C 14 2HO* C 14 33.489 -15.791 14.974 128 H1* C 14 H1* C 14 31.698 -16.123 17.127 129 1H4 C 14 1H4 C 14 27.719 -12.848 20.784 130 2H4 C 14 2H4 C 14 26.766 -13.881 19.735 131 H5 C 14 H5 C 14 30.116 -12.517 20.358 132 H6 C 14 H6 C 14 31.961 -13.141 18.899 133 1H5* C 15 1H5* C 15 33.926 -13.937 11.187 134 2H5* C 15 2H5* C 15 33.226 -12.359 10.954 135 H4* C 15 H4* C 15 32.062 -14.894 10.375 136 H3* C 15 H3* C 15 30.773 -12.186 10.665 137 H2* C 15 H2* C 15 28.679 -13.240 10.209 138 2HO* C 15 2HO* C 15 29.953 -14.963 8.863 139 H1* C 15 H1* C 15 29.064 -15.509 11.702 140 1H4 C 15 1H4 C 15 27.549 -12.080 16.917 141 2H4 C 15 2H4 C 15 25.989 -12.551 16.293 142 H5 C 15 H5 C 15 29.483 -12.321 15.891 143 H6 C 15 H6 C 15 30.683 -12.952 13.829 144 1H5* A 16 1H5* A 16 29.381 -13.210 7.115 145 2H5* A 16 2H5* A 16 29.398 -12.038 5.873 146 H4* A 16 H4* A 16 27.108 -12.596 6.254 147 H3* A 16 H3* A 16 27.700 -9.875 7.467 148 H2* A 16 H2* A 16 25.370 -9.980 8.479 149 2HO* A 16 2HO* A 16 25.038 -11.819 6.278 150 H1* A 16 H1* A 16 25.220 -12.414 8.918 151 H8 A 16 H8 A 16 28.579 -11.048 10.219 152 1H6 A 16 1H6 A 16 26.948 -10.284 14.762 153 2H6 A 16 2H6 A 16 25.319 -10.100 15.434 154 H2 A 16 H2 A 16 22.465 -10.654 12.086 155 1H5* C 17 1H5* C 17 24.481 -9.341 5.988 156 2H5* C 17 2H5* C 17 24.110 -7.792 5.224 157 H4* C 17 H4* C 17 22.628 -8.185 7.103 158 H3* C 17 H3* C 17 24.656 -5.992 7.611 159 H2* C 17 H2* C 17 23.463 -5.501 9.596 160 2HO* C 17 2HO* C 17 21.441 -6.601 9.999 161 H1* C 17 H1* C 17 22.807 -8.051 10.145 162 1H4 C 17 1H4 C 17 28.146 -8.391 13.737 163 2H4 C 17 2H4 C 17 26.833 -7.895 14.745 164 H5 C 17 H5 C 17 27.959 -8.416 11.070 165 H6 C 17 H6 C 17 26.347 -8.187 9.340 166 1H5* U 18 1H5* U 18 21.238 -1.974 8.472 167 2H5* U 18 2H5* U 18 22.997 -1.980 8.481 168 H4* U 18 H4* U 18 21.105 -2.999 10.625 169 H3* U 18 H3* U 18 22.384 -0.429 10.400 170 H2* U 18 H2* U 18 24.111 -0.994 12.136 171 2HO* U 18 2HO* U 18 21.564 -0.753 13.158 172 H1* U 18 H1* U 18 22.417 -3.114 12.943 173 H3 U 18 H3 U 18 25.625 -4.209 15.818 174 H5 U 18 H5 U 18 26.892 -5.236 11.951 175 H6 U 18 H6 U 18 25.261 -3.845 11.049 176 1H5* U 19 1H5* U 19 18.150 -1.739 11.608 177 2H5* U 19 2H5* U 19 16.976 -0.502 11.121 178 H4* U 19 H4* U 19 16.189 -1.655 13.257 179 H3* U 19 H3* U 19 16.055 1.138 13.210 180 H2* U 19 H2* U 19 18.521 1.294 14.158 181 2HO* U 19 2HO* U 19 17.010 2.739 15.194 182 H1* U 19 H1* U 19 17.287 -0.537 16.163 183 H3 U 19 H3 U 19 20.798 -0.375 18.980 184 H5 U 19 H5 U 19 22.581 0.199 15.189 185 H6 U 19 H6 U 19 20.432 0.090 14.234 186 1H5* A 20 1H5* A 20 14.026 -0.513 11.417 187 2H5* A 20 2H5* A 20 12.401 -1.085 11.826 188 H4* A 20 H4* A 20 13.743 -2.456 10.069 189 H3* A 20 H3* A 20 11.947 -3.288 11.988 190 H2* A 20 H2* A 20 13.262 -4.692 13.315 191 2HO* A 20 2HO* A 20 14.013 -6.651 12.081 192 H1* A 20 H1* A 20 15.427 -5.007 11.234 193 H8 A 20 H8 A 20 14.633 -4.144 14.944 194 1H6 A 20 1H6 A 20 20.619 -4.892 16.039 195 2H6 A 20 2H6 A 20 19.045 -4.651 16.759 196 H2 A 20 H2 A 20 20.044 -5.010 11.620 197 1H5* A 21 1H5* A 21 11.234 -7.292 9.688 198 2H5* A 21 2H5* A 21 12.503 -6.625 10.740 199 H4* A 21 H4* A 21 12.875 -9.010 8.856 200 H3* A 21 H3* A 21 11.996 -8.894 11.740 201 H2* A 21 H2* A 21 13.828 -10.001 12.599 202 2HO* A 21 2HO* A 21 14.164 -11.505 10.262 203 H1* A 21 H1* A 21 15.510 -10.152 10.414 204 H8 A 21 H8 A 21 14.813 -8.332 13.645 205 1H6 A 21 1H6 A 21 20.908 -7.148 13.424 206 2H6 A 21 2H6 A 21 19.540 -7.291 14.505 207 H2 A 21 H2 A 21 19.420 -8.156 9.295 208 1H5* A 22 1H5* A 22 12.399 -14.333 8.474 209 2H5* A 22 2H5* A 22 13.834 -14.355 9.503 210 H4* A 22 H4* A 22 13.419 -12.536 7.056 211 H3* A 22 H3* A 22 14.952 -15.041 7.721 212 H2* A 22 H2* A 22 16.966 -14.112 7.765 213 2HO* A 22 2HO* A 22 17.631 -12.939 5.778 214 H1* A 22 H1* A 22 16.128 -11.451 6.753 215 H8 A 22 H8 A 22 16.492 -12.166 10.444 216 1H6 A 22 1H6 A 22 21.010 -10.502 11.079 217 2H6 A 22 2H6 A 22 22.214 -9.917 9.953 218 H2 A 22 H2 A 22 20.594 -10.170 5.989 219 1H5* A 23 1H5* A 23 17.075 -14.604 3.912 220 2H5* A 23 2H5* A 23 16.667 -16.138 3.127 221 H4* A 23 H4* A 23 18.978 -16.111 2.973 222 H3* A 23 H3* A 23 18.539 -17.408 5.749 223 H2* A 23 H2* A 23 21.091 -17.868 5.629 224 2HO* A 23 2HO* A 23 21.314 -18.239 3.544 225 H1* A 23 H1* A 23 21.569 -15.266 4.819 226 H8 A 23 H8 A 23 18.681 -15.453 7.438 227 1H6 A 23 1H6 A 23 21.205 -13.727 11.148 228 2H6 A 23 2H6 A 23 22.869 -13.240 11.336 229 H2 A 23 H2 A 23 24.910 -14.084 7.381 230 1H5* A 24 1H5* A 24 21.763 -21.476 4.078 231 2H5* A 24 2H5* A 24 20.648 -22.160 5.279 232 H4* A 24 H4* A 24 23.195 -22.101 5.964 233 H3* A 24 H3* A 24 20.972 -21.591 7.780 234 H2* A 24 H2* A 24 22.210 -20.224 8.997 235 2HO* A 24 2HO* A 24 23.289 -21.557 10.219 236 H1* A 24 H1* A 24 24.710 -20.594 7.362 237 H8 A 24 H8 A 24 22.314 -18.031 9.098 238 1H6 A 24 1H6 A 24 27.438 -14.722 9.775 239 2H6 A 24 2H6 A 24 25.768 -14.891 10.263 240 H2 A 24 H2 A 24 28.214 -17.871 6.719 241 1H5* C 25 1H5* C 25 19.679 -25.515 8.157 242 2H5* C 25 2H5* C 25 20.590 -24.170 8.859 243 H4* C 25 H4* C 25 20.374 -25.492 10.723 244 H3* C 25 H3* C 25 22.708 -26.776 9.277 245 H2* C 25 H2* C 25 22.755 -28.307 11.112 246 2HO* C 25 2HO* C 25 22.722 -26.816 12.772 247 H1* C 25 H1* C 25 20.027 -28.318 11.578 248 1H4 C 25 1H4 C 25 21.291 -33.234 7.344 249 2H4 C 25 2H4 C 25 20.972 -33.987 8.891 250 H5 C 25 H5 C 25 21.262 -30.821 7.023 251 H6 C 25 H6 C 25 21.376 -28.684 8.187 252 1H5* A 26 1H5* A 26 27.154 -25.492 11.471 253 2H5* A 26 2H5* A 26 26.713 -23.865 11.952 254 H4* A 26 H4* A 26 27.968 -24.800 9.369 255 H3* A 26 H3* A 26 28.769 -23.125 11.692 256 H2* A 26 H2* A 26 29.584 -21.350 10.495 257 2HO* A 26 2HO* A 26 30.974 -22.383 9.128 258 H1* A 26 H1* A 26 27.893 -21.251 8.368 259 H8 A 26 H8 A 26 25.472 -21.833 11.042 260 1H6 A 26 1H6 A 26 25.579 -17.601 13.412 261 2H6 A 26 2H6 A 26 26.601 -16.189 13.269 262 H2 A 26 H2 A 26 29.690 -17.132 10.136 263 1H5* C 27 1H5* C 27 32.689 -24.326 10.201 264 2H5* C 27 2H5* C 27 33.741 -25.219 11.310 265 H4* C 27 H4* C 27 34.884 -23.185 10.505 266 H3* C 27 H3* C 27 34.054 -22.487 13.299 267 H2* C 27 H2* C 27 35.299 -20.543 12.996 268 2HO* C 27 2HO* C 27 36.355 -21.733 10.623 269 H1* C 27 H1* C 27 34.629 -20.302 10.239 270 1H4 C 27 1H4 C 27 31.575 -15.651 13.184 271 2H4 C 27 2H4 C 27 30.309 -16.749 13.688 272 H5 C 27 H5 C 27 30.500 -19.027 13.554 273 H6 C 27 H6 C 27 31.538 -20.913 12.225 274 1H5* C 28 1H5* C 28 37.827 -20.885 13.553 275 2H5* C 28 2H5* C 28 38.564 -21.816 14.871 276 H4* C 28 H4* C 28 38.706 -19.345 15.214 277 H3* C 28 H3* C 28 37.241 -21.143 17.098 278 H2* C 28 H2* C 28 36.420 -19.430 18.381 279 2HO* C 28 2HO* C 28 38.367 -18.479 18.905 280 H1* C 28 H1* C 28 36.339 -17.343 16.443 281 1H4 C 28 1H4 C 28 30.360 -20.018 17.451 282 2H4 C 28 2H4 C 28 30.497 -18.686 18.585 283 H5 C 28 H5 C 28 32.091 -20.780 16.103 284 H6 C 28 H6 C 28 34.391 -20.292 15.143 285 1H5* G 29 1H5* G 29 40.995 -19.948 19.255 286 2H5* G 29 2H5* G 29 41.828 -21.095 20.322 287 H4* G 29 H4* G 29 40.663 -19.140 21.477 288 H3* G 29 H3* G 29 39.366 -21.804 22.137 289 H2* G 29 H2* G 29 37.952 -20.645 23.643 290 2HO* G 29 2HO* G 29 40.006 -18.810 23.568 291 H1* G 29 H1* G 29 37.496 -18.508 21.863 292 H8 G 29 H8 G 29 37.336 -21.485 19.525 293 H1 G 29 H1 G 29 31.660 -19.713 21.993 294 1H2 G 29 1H2 G 29 33.774 -18.046 24.481 295 2H2 G 29 2H2 G 29 32.146 -18.378 23.936 296 1H5* G 30 1H5* G 30 41.114 -20.695 25.617 297 2H5* G 30 2H5* G 30 41.367 -21.796 26.985 298 H4* G 30 H4* G 30 39.167 -20.424 26.798 299 H3* G 30 H3* G 30 39.193 -23.419 27.224 300 H2* G 30 H2* G 30 36.863 -23.466 27.161 301 2HO* G 30 2HO* G 30 35.647 -21.528 27.657 302 H1* G 30 H1* G 30 36.635 -20.934 25.769 303 H8 G 30 H8 G 30 37.884 -23.187 22.993 304 H1 G 30 H1 G 30 31.553 -23.064 23.583 305 1H2 G 30 1H2 G 30 32.065 -21.853 26.825 306 2H2 G 30 2H2 G 30 30.925 -22.317 25.578 Start of MODEL 2 1 1H5* A 3 1H5* A 3 22.314 -3.293 21.280 2 2H5* A 3 2H5* A 3 22.074 -1.565 21.794 3 H4* A 3 H4* A 3 20.884 -2.821 23.459 4 H3* A 3 H3* A 3 23.264 -2.459 25.019 5 H2* A 3 H2* A 3 24.602 -4.162 24.286 6 2HO* A 3 2HO* A 3 24.321 -6.053 25.374 7 H1* A 3 H1* A 3 22.604 -6.015 23.430 8 H8 A 3 H8 A 3 25.509 -6.387 23.307 9 1H6 A 3 1H6 A 3 27.133 -6.512 18.764 10 2H6 A 3 2H6 A 3 26.586 -5.747 17.258 11 H2 A 3 H2 A 3 22.898 -3.404 18.339 12 1H5* G 4 1H5* G 4 19.282 -7.392 24.470 13 2H5* G 4 2H5* G 4 21.087 -7.192 24.504 14 H4* G 4 H4* G 4 19.305 -5.824 22.400 15 H3* G 4 H3* G 4 19.848 -8.869 21.595 16 H2* G 4 H2* G 4 20.050 -8.118 19.384 17 2HO* G 4 2HO* G 4 18.416 -6.022 20.356 18 H1* G 4 H1* G 4 21.224 -5.658 19.930 19 H8 G 4 H8 G 4 23.286 -7.591 21.968 20 H1 G 4 H1 G 4 24.565 -7.579 15.627 21 1H2 G 4 1H2 G 4 21.168 -6.521 15.583 22 2H2 G 4 2H2 G 4 22.602 -6.896 14.664 23 1H5* U 5 1H5* U 5 16.423 -8.233 19.685 24 2H5* U 5 2H5* U 5 15.240 -9.539 19.584 25 H4* U 5 H4* U 5 16.086 -8.879 17.374 26 H3* U 5 H3* U 5 17.334 -11.629 17.968 27 H2* U 5 H2* U 5 17.745 -11.420 15.528 28 2HO* U 5 2HO* U 5 16.987 -9.703 14.501 29 H1* U 5 H1* U 5 18.682 -9.006 15.792 30 H3 U 5 H3 U 5 22.687 -10.545 15.092 31 H5 U 5 H5 U 5 22.068 -10.487 19.314 32 H6 U 5 H6 U 5 19.707 -10.231 18.875 33 1H5* G 6 1H5* G 6 16.695 -13.508 13.382 34 2H5* G 6 2H5* G 6 15.757 -14.667 14.427 35 H4* G 6 H4* G 6 17.822 -15.487 14.075 36 H3* G 6 H3* G 6 16.933 -14.562 16.730 37 H2* G 6 H2* G 6 18.709 -13.132 16.504 38 2HO* G 6 2HO* G 6 18.821 -13.515 18.416 39 H1* G 6 H1* G 6 20.193 -15.242 14.990 40 H8 G 6 H8 G 6 20.868 -13.170 17.932 41 H1 G 6 H1 G 6 25.988 -13.552 14.205 42 1H2 G 6 1H2 G 6 23.815 -14.451 11.588 43 2H2 G 6 2H2 G 6 25.464 -14.120 12.098 44 1H5* G 7 1H5* G 7 19.748 -19.264 16.829 45 2H5* G 7 2H5* G 7 19.310 -17.539 16.915 46 H4* G 7 H4* G 7 19.951 -17.848 14.259 47 H3* G 7 H3* G 7 21.193 -20.133 15.418 48 H2* G 7 H2* G 7 22.929 -19.196 16.450 49 2HO* G 7 2HO* G 7 24.516 -18.153 14.807 50 H1* G 7 H1* G 7 23.098 -16.798 14.904 51 H8 G 7 H8 G 7 21.483 -15.842 18.063 52 H1 G 7 H1 G 7 27.896 -14.850 17.773 53 1H2 G 7 1H2 G 7 27.611 -17.215 15.077 54 2H2 G 7 2H2 G 7 28.642 -16.169 16.027 55 1H5* CH 8 1H5* CH 8 23.961 -23.034 13.032 56 2H5* CH 8 2H5* CH 8 23.720 -22.475 14.723 57 H4* CH 8 H4* CH 8 26.257 -22.051 12.966 58 H3* CH 8 H3* CH 8 25.731 -22.870 16.018 59 H2* CH 8 H2* CH 8 28.052 -22.195 16.269 60 2HO* CH 8 2HO* CH 8 29.302 -21.594 14.256 61 H1* CH 8 H1* CH 8 27.993 -20.404 14.390 62 HN3 CH 8 HN3 CH 8 29.870 -18.238 17.701 63 1H4 CH 8 1H4 CH 8 27.443 -16.842 19.798 64 2H4 CH 8 2H4 CH 8 29.137 -16.758 19.498 65 H5 CH 8 H5 CH 8 25.833 -18.323 18.849 66 H6 CH 8 H6 CH 8 25.399 -19.856 16.925 67 1H5* G 9 1H5* G 9 23.816 -25.914 16.525 68 2H5* G 9 2H5* G 9 24.139 -24.592 15.383 69 H4* G 9 H4* G 9 23.598 -22.982 17.190 70 H3* G 9 H3* G 9 24.267 -25.072 18.915 71 H2* G 9 H2* G 9 22.319 -26.221 18.651 72 2HO* G 9 2HO* G 9 20.868 -25.718 20.377 73 H1* G 9 H1* G 9 20.600 -23.788 18.386 74 H8 G 9 H8 G 9 20.224 -25.542 15.434 75 H1 G 9 H1 G 9 17.263 -28.974 19.920 76 1H2 G 9 1H2 G 9 17.925 -28.323 21.935 77 2H2 G 9 2H2 G 9 19.094 -27.043 22.170 78 1H5* C 10 1H5* C 10 20.833 -22.597 22.287 79 2H5* C 10 2H5* C 10 20.808 -20.772 22.332 80 H4* C 10 H4* C 10 21.640 -21.782 24.524 81 H3* C 10 H3* C 10 23.782 -20.119 23.027 82 H2* C 10 H2* C 10 25.214 -20.442 24.668 83 2HO* C 10 2HO* C 10 24.701 -21.259 26.614 84 H1* C 10 H1* C 10 24.921 -23.089 24.694 85 1H4 C 10 1H4 C 10 27.860 -23.492 18.994 86 2H4 C 10 2H4 C 10 29.173 -23.090 20.096 87 H5 C 10 H5 C 10 25.534 -23.305 19.582 88 H6 C 10 H6 C 10 23.992 -23.032 21.313 89 1H5* C 11 1H5* C 11 23.846 -15.624 26.859 90 2H5* C 11 2H5* C 11 23.636 -15.332 25.125 91 H4* C 11 H4* C 11 26.049 -16.474 26.698 92 H3* C 11 H3* C 11 26.379 -14.987 23.997 93 H2* C 11 H2* C 11 28.527 -15.723 24.198 94 2HO* C 11 2HO* C 11 27.927 -15.792 26.918 95 H1* C 11 H1* C 11 27.845 -18.161 25.348 96 1H4 C 11 1H4 C 11 28.063 -20.374 19.474 97 2H4 C 11 2H4 C 11 29.685 -20.146 19.929 98 H5 C 11 H5 C 11 26.125 -19.440 20.723 99 H6 C 11 H6 C 11 25.619 -18.066 22.558 100 1H5* G 12 1H5* G 12 28.661 -12.561 26.415 101 2H5* G 12 2H5* G 12 28.589 -10.788 26.206 102 H4* G 12 H4* G 12 30.887 -11.700 25.792 103 H3* G 12 H3* G 12 29.599 -10.914 23.097 104 H2* G 12 H2* G 12 31.545 -11.416 22.129 105 2HO* G 12 2HO* G 12 32.610 -11.135 24.689 106 H1* G 12 H1* G 12 32.193 -13.507 23.490 107 H8 G 12 H8 G 12 28.684 -14.216 22.601 108 H1 G 12 H1 G 12 33.047 -16.519 18.743 109 1H2 G 12 1H2 G 12 35.364 -14.412 20.387 110 2H2 G 12 2H2 G 12 35.118 -15.634 19.147 111 1H5* A 13 1H5* A 13 33.410 -7.647 21.275 112 2H5* A 13 2H5* A 13 32.472 -8.826 20.348 113 H4* A 13 H4* A 13 34.678 -9.137 19.600 114 H3* A 13 H3* A 13 33.513 -11.182 21.178 115 H2* A 13 H2* A 13 35.084 -11.650 22.729 116 2HO* A 13 2HO* A 13 36.106 -12.461 20.397 117 H1* A 13 H1* A 13 37.326 -10.132 21.796 118 H8 A 13 H8 A 13 34.364 -9.914 24.355 119 1H6 A 13 1H6 A 13 38.733 -8.362 28.380 120 2H6 A 13 2H6 A 13 37.033 -8.722 28.171 121 H2 A 13 H2 A 13 40.658 -8.750 24.340 122 1H5* C 14 1H5* C 14 36.230 -13.789 18.312 123 2H5* C 14 2H5* C 14 37.203 -13.464 16.871 124 H4* C 14 H4* C 14 35.944 -15.342 16.235 125 H3* C 14 H3* C 14 34.402 -12.877 15.391 126 H2* C 14 H2* C 14 32.476 -14.277 14.778 127 2HO* C 14 2HO* C 14 32.766 -16.512 14.559 128 H1* C 14 H1* C 14 32.758 -16.149 16.602 129 1H4 C 14 1H4 C 14 29.107 -12.350 20.350 130 2H4 C 14 2H4 C 14 28.023 -13.373 19.441 131 H5 C 14 H5 C 14 31.519 -12.204 19.805 132 H6 C 14 H6 C 14 33.267 -13.067 18.291 133 1H5* C 15 1H5* C 15 34.218 -15.038 10.647 134 2H5* C 15 2H5* C 15 34.240 -13.385 10.015 135 H4* C 15 H4* C 15 32.379 -15.097 9.304 136 H3* C 15 H3* C 15 31.766 -12.193 9.856 137 H2* C 15 H2* C 15 29.578 -12.527 9.375 138 2HO* C 15 2HO* C 15 28.964 -14.405 8.475 139 H1* C 15 H1* C 15 29.239 -15.080 10.469 140 1H4 C 15 1H4 C 15 29.066 -12.572 16.312 141 2H4 C 15 2H4 C 15 27.392 -12.909 16.003 142 H5 C 15 H5 C 15 30.646 -12.586 14.950 143 H6 C 15 H6 C 15 31.489 -13.084 12.773 144 1H5* A 16 1H5* A 16 28.861 -13.089 6.286 145 2H5* A 16 2H5* A 16 28.868 -11.420 5.756 146 H4* A 16 H4* A 16 26.701 -12.551 6.606 147 H3* A 16 H3* A 16 27.558 -9.726 7.096 148 H2* A 16 H2* A 16 25.790 -9.508 8.894 149 2HO* A 16 2HO* A 16 24.417 -10.830 6.815 150 H1* A 16 H1* A 16 25.170 -12.150 9.063 151 H8 A 16 H8 A 16 28.435 -11.230 10.738 152 1H6 A 16 1H6 A 16 26.700 -11.150 15.251 153 2H6 A 16 2H6 A 16 25.079 -10.927 15.929 154 H2 A 16 H2 A 16 22.297 -10.616 12.521 155 1H5* C 17 1H5* C 17 24.022 -6.585 6.104 156 2H5* C 17 2H5* C 17 25.534 -7.135 6.811 157 H4* C 17 H4* C 17 22.789 -7.625 8.071 158 H3* C 17 H3* C 17 24.660 -5.313 8.603 159 H2* C 17 H2* C 17 23.843 -5.238 10.794 160 2HO* C 17 2HO* C 17 21.574 -6.182 9.538 161 H1* C 17 H1* C 17 23.134 -7.905 10.853 162 1H4 C 17 1H4 C 17 28.074 -8.640 14.817 163 2H4 C 17 2H4 C 17 26.691 -8.264 15.760 164 H5 C 17 H5 C 17 28.134 -8.307 12.184 165 H6 C 17 H6 C 17 26.710 -7.883 10.412 166 1H5* U 18 1H5* U 18 21.033 -0.962 9.251 167 2H5* U 18 2H5* U 18 22.779 -1.205 9.341 168 H4* U 18 H4* U 18 20.692 -2.557 11.095 169 H3* U 18 H3* U 18 21.890 0.047 11.444 170 H2* U 18 H2* U 18 23.463 -0.718 13.193 171 2HO* U 18 2HO* U 18 21.977 -1.907 14.873 172 H1* U 18 H1* U 18 21.875 -3.043 13.457 173 H3 U 18 H3 U 18 24.755 -4.268 16.492 174 H5 U 18 H5 U 18 26.626 -4.667 12.761 175 H6 U 18 H6 U 18 24.988 -3.243 11.849 176 1H5* U 19 1H5* U 19 17.743 -2.974 12.214 177 2H5* U 19 2H5* U 19 16.506 -1.998 11.472 178 H4* U 19 H4* U 19 15.522 -3.067 13.549 179 H3* U 19 H3* U 19 15.189 -0.260 13.560 180 H2* U 19 H2* U 19 17.542 0.043 14.665 181 2HO* U 19 2HO* U 19 16.427 0.363 16.973 182 H1* U 19 H1* U 19 16.323 -1.911 16.566 183 H3 U 19 H3 U 19 19.594 -1.738 19.625 184 H5 U 19 H5 U 19 21.591 -0.647 16.064 185 H6 U 19 H6 U 19 19.546 -0.834 14.926 186 1H5* A 20 1H5* A 20 12.742 -2.441 11.567 187 2H5* A 20 2H5* A 20 11.601 -3.505 12.418 188 H4* A 20 H4* A 20 12.861 -4.611 10.424 189 H3* A 20 H3* A 20 12.845 -5.720 13.247 190 H2* A 20 H2* A 20 14.410 -7.228 12.902 191 2HO* A 20 2HO* A 20 14.835 -8.076 10.784 192 H1* A 20 H1* A 20 15.804 -6.072 10.760 193 H8 A 20 H8 A 20 15.015 -5.872 14.528 194 1H6 A 20 1H6 A 20 19.385 -5.147 16.272 195 2H6 A 20 2H6 A 20 20.949 -4.879 15.538 196 H2 A 20 H2 A 20 20.387 -5.004 11.136 197 1H5* A 21 1H5* A 21 13.010 -8.080 9.859 198 2H5* A 21 2H5* A 21 11.832 -8.668 8.688 199 H4* A 21 H4* A 21 12.777 -10.717 8.645 200 H3* A 21 H3* A 21 12.171 -10.609 11.540 201 H2* A 21 H2* A 21 14.069 -11.534 12.236 202 2HO* A 21 2HO* A 21 14.776 -13.420 11.426 203 H1* A 21 H1* A 21 15.602 -11.780 9.902 204 H8 A 21 H8 A 21 15.761 -10.671 13.337 205 1H6 A 21 1H6 A 21 19.658 -7.794 13.415 206 2H6 A 21 2H6 A 21 20.571 -7.028 12.136 207 H2 A 21 H2 A 21 18.795 -8.281 8.231 208 1H5* A 22 1H5* A 22 13.889 -14.872 7.860 209 2H5* A 22 2H5* A 22 15.042 -14.552 9.143 210 H4* A 22 H4* A 22 15.022 -13.056 6.498 211 H3* A 22 H3* A 22 16.424 -15.597 7.395 212 H2* A 22 H2* A 22 18.516 -14.785 7.148 213 2HO* A 22 2HO* A 22 18.972 -14.687 5.088 214 H1* A 22 H1* A 22 17.635 -12.059 6.312 215 H8 A 22 H8 A 22 18.170 -13.115 9.942 216 1H6 A 22 1H6 A 22 23.080 -9.402 9.732 217 2H6 A 22 2H6 A 22 22.069 -10.360 10.779 218 H2 A 22 H2 A 22 21.583 -9.713 5.745 219 1H5* A 23 1H5* A 23 17.663 -15.455 3.996 220 2H5* A 23 2H5* A 23 17.566 -16.808 2.844 221 H4* A 23 H4* A 23 19.823 -16.629 2.936 222 H3* A 23 H3* A 23 19.297 -18.189 5.557 223 H2* A 23 H2* A 23 21.873 -18.383 5.650 224 2HO* A 23 2HO* A 23 21.548 -17.042 3.165 225 H1* A 23 H1* A 23 22.082 -15.652 5.042 226 H8 A 23 H8 A 23 19.990 -17.334 7.996 227 1H6 A 23 1H6 A 23 21.436 -14.143 11.410 228 2H6 A 23 2H6 A 23 22.485 -12.756 11.298 229 H2 A 23 H2 A 23 24.075 -12.625 7.141 230 1H5* A 24 1H5* A 24 21.798 -22.278 4.170 231 2H5* A 24 2H5* A 24 20.844 -23.024 5.466 232 H4* A 24 H4* A 24 23.374 -23.002 5.917 233 H3* A 24 H3* A 24 21.361 -22.248 7.868 234 H2* A 24 H2* A 24 22.674 -20.788 8.952 235 2HO* A 24 2HO* A 24 23.889 -23.071 9.228 236 H1* A 24 H1* A 24 25.084 -20.986 7.253 237 H8 A 24 H8 A 24 22.090 -18.751 8.357 238 1H6 A 24 1H6 A 24 24.658 -14.788 9.194 239 2H6 A 24 2H6 A 24 26.275 -14.296 8.752 240 H2 A 24 H2 A 24 27.991 -17.590 6.309 241 1H5* C 25 1H5* C 25 21.071 -25.359 10.834 242 2H5* C 25 2H5* C 25 22.114 -24.084 10.206 243 H4* C 25 H4* C 25 24.013 -24.936 11.151 244 H3* C 25 H3* C 25 22.991 -27.660 10.553 245 H2* C 25 H2* C 25 24.574 -28.470 12.203 246 2HO* C 25 2HO* C 25 25.779 -26.059 12.698 247 H1* C 25 H1* C 25 24.378 -26.277 13.901 248 1H4 C 25 1H4 C 25 21.419 -30.742 17.313 249 2H4 C 25 2H4 C 25 20.326 -31.129 16.003 250 H5 C 25 H5 C 25 20.400 -30.030 13.855 251 H6 C 25 H6 C 25 21.579 -28.435 12.492 252 1H5* A 26 1H5* A 26 26.557 -24.180 11.002 253 2H5* A 26 2H5* A 26 25.588 -24.729 9.626 254 H4* A 26 H4* A 26 27.714 -24.512 8.227 255 H3* A 26 H3* A 26 28.669 -23.460 10.846 256 H2* A 26 H2* A 26 29.447 -21.466 10.055 257 2HO* A 26 2HO* A 26 30.840 -21.999 8.515 258 H1* A 26 H1* A 26 27.787 -20.996 7.893 259 H8 A 26 H8 A 26 25.557 -21.670 10.830 260 1H6 A 26 1H6 A 26 26.266 -17.555 13.445 261 2H6 A 26 2H6 A 26 27.318 -16.189 13.172 262 H2 A 26 H2 A 26 29.796 -17.076 9.549 263 1H5* C 27 1H5* C 27 32.412 -22.861 8.917 264 2H5* C 27 2H5* C 27 33.603 -23.933 9.676 265 H4* C 27 H4* C 27 34.588 -21.735 9.702 266 H3* C 27 H3* C 27 33.254 -21.840 12.386 267 H2* C 27 H2* C 27 34.502 -19.835 12.777 268 2HO* C 27 2HO* C 27 36.449 -20.199 11.968 269 H1* C 27 H1* C 27 34.072 -18.922 10.134 270 1H4 C 27 1H4 C 27 30.418 -15.164 13.611 271 2H4 C 27 2H4 C 27 29.210 -16.406 13.798 272 H5 C 27 H5 C 27 29.571 -18.570 13.251 273 H6 C 27 H6 C 27 30.843 -20.152 11.718 274 1H5* C 28 1H5* C 28 38.032 -20.834 12.771 275 2H5* C 28 2H5* C 28 38.325 -21.900 14.154 276 H4* C 28 H4* C 28 39.301 -19.501 14.234 277 H3* C 28 H3* C 28 37.768 -20.883 16.398 278 H2* C 28 H2* C 28 37.670 -19.034 17.774 279 2HO* C 28 2HO* C 28 40.068 -18.641 17.115 280 H1* C 28 H1* C 28 37.334 -17.009 15.874 281 1H4 C 28 1H4 C 28 31.487 -19.766 17.323 282 2H4 C 28 2H4 C 28 31.644 -18.366 18.376 283 H5 C 28 H5 C 28 33.209 -20.611 16.014 284 H6 C 28 H6 C 28 35.354 -20.002 14.800 285 1H5* G 29 1H5* G 29 40.445 -19.807 18.538 286 2H5* G 29 2H5* G 29 41.301 -20.744 19.772 287 H4* G 29 H4* G 29 39.742 -19.006 20.677 288 H3* G 29 H3* G 29 38.644 -21.785 21.230 289 H2* G 29 H2* G 29 37.027 -20.696 22.562 290 2HO* G 29 2HO* G 29 37.223 -18.500 23.108 291 H1* G 29 H1* G 29 36.800 -18.484 20.799 292 H8 G 29 H8 G 29 36.326 -21.320 18.359 293 H1 G 29 H1 G 29 30.920 -19.369 21.278 294 1H2 G 29 1H2 G 29 33.288 -17.976 23.708 295 2H2 G 29 2H2 G 29 31.610 -18.178 23.259 296 1H5* G 30 1H5* G 30 39.113 -20.122 24.527 297 2H5* G 30 2H5* G 30 39.264 -20.864 26.132 298 H4* G 30 H4* G 30 37.063 -19.754 25.611 299 H3* G 30 H3* G 30 37.094 -22.716 26.220 300 H2* G 30 H2* G 30 34.829 -22.855 25.769 301 2HO* G 30 2HO* G 30 34.854 -20.640 27.313 302 H1* G 30 H1* G 30 34.756 -20.213 24.507 303 H8 G 30 H8 G 30 35.886 -22.304 21.582 304 H1 G 30 H1 G 30 29.545 -22.355 22.426 305 1H2 G 30 1H2 G 30 30.192 -21.321 25.710 306 2H2 G 30 2H2 G 30 29.001 -21.738 24.495 Start of MODEL 3 1 1H5* A 3 1H5* A 3 26.046 -2.640 26.006 2 2H5* A 3 2H5* A 3 24.519 -2.215 26.747 3 H4* A 3 H4* A 3 24.066 -1.241 24.826 4 H3* A 3 H3* A 3 23.490 -4.106 23.802 5 H2* A 3 H2* A 3 22.851 -3.170 21.755 6 2HO* A 3 2HO* A 3 22.279 -1.087 21.467 7 H1* A 3 H1* A 3 25.144 -1.346 21.717 8 H8 A 3 H8 A 3 26.774 -4.125 22.500 9 1H6 A 3 1H6 A 3 27.937 -5.441 18.020 10 2H6 A 3 2H6 A 3 27.211 -5.112 16.438 11 H2 A 3 H2 A 3 23.621 -2.532 17.235 12 1H5* G 4 1H5* G 4 20.520 -3.146 22.992 13 2H5* G 4 2H5* G 4 18.942 -3.880 23.317 14 H4* G 4 H4* G 4 19.264 -3.868 20.989 15 H3* G 4 H3* G 4 20.574 -6.717 21.481 16 H2* G 4 H2* G 4 20.549 -6.891 19.061 17 2HO* G 4 2HO* G 4 19.636 -5.227 17.811 18 H1* G 4 H1* G 4 21.466 -4.358 18.772 19 H8 G 4 H8 G 4 23.658 -5.564 21.420 20 H1 G 4 H1 G 4 24.938 -7.235 15.318 21 1H2 G 4 1H2 G 4 21.440 -6.295 15.151 22 2H2 G 4 2H2 G 4 22.829 -6.870 14.275 23 1H5* U 5 1H5* U 5 16.464 -8.572 20.034 24 2H5* U 5 2H5* U 5 16.562 -10.252 20.442 25 H4* U 5 H4* U 5 16.529 -9.373 17.883 26 H3* U 5 H3* U 5 18.736 -11.485 18.464 27 H2* U 5 H2* U 5 19.106 -11.448 16.174 28 2HO* U 5 2HO* U 5 17.848 -10.364 14.723 29 H1* U 5 H1* U 5 19.263 -8.826 15.988 30 H3 U 5 H3 U 5 23.351 -10.187 15.620 31 H5 U 5 H5 U 5 22.819 -8.991 19.664 32 H6 U 5 H6 U 5 20.402 -9.077 19.265 33 1H5* G 6 1H5* G 6 16.267 -13.374 16.137 34 2H5* G 6 2H5* G 6 15.761 -15.073 16.283 35 H4* G 6 H4* G 6 17.149 -14.742 14.323 36 H3* G 6 H3* G 6 18.485 -16.193 16.610 37 H2* G 6 H2* G 6 20.377 -16.554 15.219 38 2HO* G 6 2HO* G 6 18.471 -16.298 13.246 39 H1* G 6 H1* G 6 20.261 -14.169 13.942 40 H8 G 6 H8 G 6 20.155 -13.270 17.606 41 H1 G 6 H1 G 6 25.887 -13.532 14.761 42 1H2 G 6 1H2 G 6 24.192 -15.448 12.321 43 2H2 G 6 2H2 G 6 25.698 -14.727 12.844 44 1H5* G 7 1H5* G 7 20.191 -19.306 17.801 45 2H5* G 7 2H5* G 7 20.016 -17.596 17.344 46 H4* G 7 H4* G 7 20.506 -19.272 15.014 47 H3* G 7 H3* G 7 22.309 -19.777 17.376 48 H2* G 7 H2* G 7 24.251 -19.593 15.783 49 2HO* G 7 2HO* G 7 22.112 -19.826 14.005 50 H1* G 7 H1* G 7 23.610 -17.456 14.726 51 H8 G 7 H8 G 7 21.895 -16.565 17.847 52 H1 G 7 H1 G 7 28.151 -15.013 17.777 53 1H2 G 7 1H2 G 7 28.149 -17.336 15.009 54 2H2 G 7 2H2 G 7 29.073 -16.231 16.003 55 1H5* CH 8 1H5* CH 8 24.413 -22.449 13.017 56 2H5* CH 8 2H5* CH 8 24.541 -23.669 14.311 57 H4* CH 8 H4* CH 8 26.851 -22.428 13.212 58 H3* CH 8 H3* CH 8 26.150 -23.323 16.176 59 H2* CH 8 H2* CH 8 28.308 -22.530 16.752 60 2HO* CH 8 2HO* CH 8 29.876 -21.904 14.887 61 H1* CH 8 H1* CH 8 28.508 -20.785 14.764 62 HN3 CH 8 HN3 CH 8 30.231 -18.420 18.015 63 1H4 CH 8 1H4 CH 8 27.736 -16.903 19.924 64 2H4 CH 8 2H4 CH 8 29.433 -16.832 19.690 65 H5 CH 8 H5 CH 8 26.135 -18.458 19.012 66 H6 CH 8 H6 CH 8 25.796 -20.183 17.237 67 1H5* G 9 1H5* G 9 24.752 -26.845 17.180 68 2H5* G 9 2H5* G 9 24.786 -25.844 15.704 69 H4* G 9 H4* G 9 24.336 -23.874 17.299 70 H3* G 9 H3* G 9 24.681 -25.899 19.263 71 H2* G 9 H2* G 9 22.537 -26.714 19.266 72 2HO* G 9 2HO* G 9 21.104 -25.413 20.539 73 H1* G 9 H1* G 9 21.256 -24.232 18.247 74 H8 G 9 H8 G 9 21.189 -26.799 15.759 75 H1 G 9 H1 G 9 16.906 -28.219 20.264 76 1H2 G 9 1H2 G 9 17.263 -26.984 22.069 77 2H2 G 9 2H2 G 9 18.557 -25.810 22.165 78 1H5* C 10 1H5* C 10 21.213 -23.781 22.869 79 2H5* C 10 2H5* C 10 21.418 -22.091 22.220 80 H4* C 10 H4* C 10 21.894 -22.485 24.829 81 H3* C 10 H3* C 10 23.926 -20.924 23.100 82 H2* C 10 H2* C 10 25.324 -20.720 24.789 83 2HO* C 10 2HO* C 10 23.159 -21.720 26.360 84 H1* C 10 H1* C 10 25.338 -23.313 25.397 85 1H4 C 10 1H4 C 10 28.510 -24.579 19.944 86 2H4 C 10 2H4 C 10 29.726 -23.830 20.975 87 H5 C 10 H5 C 10 26.132 -24.514 20.425 88 H6 C 10 H6 C 10 24.501 -24.054 22.032 89 1H5* C 11 1H5* C 11 23.554 -15.825 25.998 90 2H5* C 11 2H5* C 11 23.497 -16.038 24.214 91 H4* C 11 H4* C 11 25.617 -17.133 26.221 92 H3* C 11 H3* C 11 26.196 -14.816 24.257 93 H2* C 11 H2* C 11 27.884 -15.948 23.333 94 2HO* C 11 2HO* C 11 28.589 -15.812 25.915 95 H1* C 11 H1* C 11 27.639 -18.351 24.948 96 1H4 C 11 1H4 C 11 28.496 -21.433 19.578 97 2H4 C 11 2H4 C 11 30.050 -20.946 20.065 98 H5 C 11 H5 C 11 26.371 -20.522 20.555 99 H6 C 11 H6 C 11 25.621 -18.920 22.110 100 1H5* G 12 1H5* G 12 27.864 -10.918 25.437 101 2H5* G 12 2H5* G 12 27.669 -12.359 24.347 102 H4* G 12 H4* G 12 30.283 -11.526 25.854 103 H3* G 12 H3* G 12 29.779 -10.393 23.003 104 H2* G 12 H2* G 12 31.644 -11.248 22.201 105 2HO* G 12 2HO* G 12 33.448 -11.841 23.523 106 H1* G 12 H1* G 12 32.236 -13.281 23.606 107 H8 G 12 H8 G 12 28.794 -14.071 22.628 108 H1 G 12 H1 G 12 33.348 -16.532 19.050 109 1H2 G 12 1H2 G 12 35.563 -14.322 20.707 110 2H2 G 12 2H2 G 12 35.393 -15.615 19.524 111 1H5* A 13 1H5* A 13 34.640 -9.950 22.429 112 2H5* A 13 2H5* A 13 34.381 -8.265 21.989 113 H4* A 13 H4* A 13 34.798 -10.361 20.102 114 H3* A 13 H3* A 13 34.317 -7.711 19.524 115 H2* A 13 H2* A 13 31.997 -7.636 19.605 116 2HO* A 13 2HO* A 13 32.746 -8.768 17.113 117 H1* A 13 H1* A 13 31.526 -10.400 18.584 118 H8 A 13 H8 A 13 31.178 -8.073 21.678 119 1H6 A 13 1H6 A 13 25.223 -9.577 21.749 120 2H6 A 13 2H6 A 13 26.486 -8.665 22.542 121 H2 A 13 H2 A 13 27.163 -11.789 18.352 122 1H5* C 14 1H5* C 14 35.750 -12.623 18.704 123 2H5* C 14 2H5* C 14 37.087 -12.635 17.583 124 H4* C 14 H4* C 14 36.226 -14.456 16.668 125 H3* C 14 H3* C 14 34.225 -12.391 15.761 126 H2* C 14 H2* C 14 32.672 -14.137 15.082 127 2HO* C 14 2HO* C 14 33.374 -16.173 14.663 128 H1* C 14 H1* C 14 33.184 -15.840 16.977 129 1H4 C 14 1H4 C 14 29.063 -12.539 20.453 130 2H4 C 14 2H4 C 14 28.110 -13.639 19.481 131 H5 C 14 H5 C 14 31.397 -12.175 20.001 132 H6 C 14 H6 C 14 33.241 -12.780 18.527 133 1H5* C 15 1H5* C 15 34.440 -14.943 12.182 134 2H5* C 15 2H5* C 15 34.397 -13.819 10.825 135 H4* C 15 H4* C 15 32.705 -15.672 10.814 136 H3* C 15 H3* C 15 31.808 -12.829 10.488 137 H2* C 15 H2* C 15 29.645 -13.482 10.202 138 2HO* C 15 2HO* C 15 29.226 -15.602 9.800 139 H1* C 15 H1* C 15 29.625 -15.644 11.975 140 1H4 C 15 1H4 C 15 28.464 -11.569 16.811 141 2H4 C 15 2H4 C 15 26.922 -12.247 16.388 142 H5 C 15 H5 C 15 30.386 -11.805 15.611 143 H6 C 15 H6 C 15 31.463 -12.769 13.638 144 1H5* A 16 1H5* A 16 28.750 -14.706 7.377 145 2H5* A 16 2H5* A 16 28.832 -13.216 6.484 146 H4* A 16 H4* A 16 26.611 -13.830 7.638 147 H3* A 16 H3* A 16 27.774 -11.047 7.989 148 H2* A 16 H2* A 16 25.698 -10.684 9.453 149 2HO* A 16 2HO* A 16 24.786 -12.767 7.717 150 H1* A 16 H1* A 16 25.467 -13.094 10.268 151 H8 A 16 H8 A 16 28.915 -11.675 11.226 152 1H6 A 16 1H6 A 16 27.405 -10.326 15.699 153 2H6 A 16 2H6 A 16 25.790 -10.072 16.389 154 H2 A 16 H2 A 16 22.841 -11.008 13.199 155 1H5* C 17 1H5* C 17 24.301 -10.449 6.756 156 2H5* C 17 2H5* C 17 23.914 -8.947 5.914 157 H4* C 17 H4* C 17 22.712 -9.158 8.058 158 H3* C 17 H3* C 17 24.805 -6.991 8.063 159 H2* C 17 H2* C 17 23.730 -6.236 10.080 160 2HO* C 17 2HO* C 17 21.774 -7.334 10.752 161 H1* C 17 H1* C 17 23.145 -8.770 10.863 162 1H4 C 17 1H4 C 17 28.386 -8.359 14.583 163 2H4 C 17 2H4 C 17 27.026 -7.778 15.477 164 H5 C 17 H5 C 17 28.275 -8.749 11.937 165 H6 C 17 H6 C 17 26.722 -8.865 10.155 166 1H5* U 18 1H5* U 18 21.506 -2.248 7.650 167 2H5* U 18 2H5* U 18 23.211 -2.579 7.859 168 H4* U 18 H4* U 18 21.028 -3.539 9.758 169 H3* U 18 H3* U 18 22.120 -0.914 9.703 170 H2* U 18 H2* U 18 23.729 -1.349 11.543 171 2HO* U 18 2HO* U 18 22.315 -2.049 13.483 172 H1* U 18 H1* U 18 22.118 -3.560 12.284 173 H3 U 18 H3 U 18 25.281 -3.885 15.487 174 H5 U 18 H5 U 18 26.849 -5.309 11.870 175 H6 U 18 H6 U 18 25.146 -4.205 10.749 176 1H5* U 19 1H5* U 19 17.911 -2.546 10.795 177 2H5* U 19 2H5* U 19 16.616 -1.508 10.185 178 H4* U 19 H4* U 19 16.026 -2.291 12.519 179 H3* U 19 H3* U 19 15.788 0.452 11.977 180 H2* U 19 H2* U 19 18.274 0.857 12.810 181 2HO* U 19 2HO* U 19 16.169 1.397 14.709 182 H1* U 19 H1* U 19 17.157 -0.712 15.092 183 H3 U 19 H3 U 19 20.649 0.078 17.810 184 H5 U 19 H5 U 19 22.438 0.056 13.983 185 H6 U 19 H6 U 19 20.298 -0.364 13.050 186 1H5* A 20 1H5* A 20 13.667 -1.389 10.626 187 2H5* A 20 2H5* A 20 12.067 -1.911 11.190 188 H4* A 20 H4* A 20 13.306 -3.625 9.696 189 H3* A 20 H3* A 20 12.538 -4.264 12.583 190 H2* A 20 H2* A 20 13.376 -6.380 12.447 191 2HO* A 20 2HO* A 20 13.657 -7.449 10.515 192 H1* A 20 H1* A 20 15.484 -5.762 10.660 193 H8 A 20 H8 A 20 14.162 -5.395 14.251 194 1H6 A 20 1H6 A 20 20.009 -5.321 16.129 195 2H6 A 20 2H6 A 20 18.337 -5.384 16.635 196 H2 A 20 H2 A 20 20.014 -5.197 11.643 197 1H5* A 21 1H5* A 21 10.343 -8.606 12.238 198 2H5* A 21 2H5* A 21 10.890 -8.171 13.871 199 H4* A 21 H4* A 21 12.627 -9.070 11.487 200 H3* A 21 H3* A 21 12.050 -10.380 14.114 201 H2* A 21 H2* A 21 14.194 -10.171 14.569 202 2HO* A 21 2HO* A 21 14.461 -11.728 12.180 203 H1* A 21 H1* A 21 14.813 -9.145 11.724 204 H8 A 21 H8 A 21 15.520 -8.681 15.504 205 1H6 A 21 1H6 A 21 20.163 -7.361 15.158 206 2H6 A 21 2H6 A 21 21.279 -7.319 13.814 207 H2 A 21 H2 A 21 19.024 -8.536 10.169 208 1H5* A 22 1H5* A 22 12.789 -15.058 10.068 209 2H5* A 22 2H5* A 22 13.834 -14.382 11.298 210 H4* A 22 H4* A 22 13.192 -12.931 8.673 211 H3* A 22 H3* A 22 15.340 -14.914 9.458 212 H2* A 22 H2* A 22 16.978 -13.722 8.432 213 2HO* A 22 2HO* A 22 16.570 -12.365 6.655 214 H1* A 22 H1* A 22 15.794 -11.174 8.491 215 H8 A 22 H8 A 22 16.223 -11.881 12.021 216 1H6 A 22 1H6 A 22 21.074 -11.151 12.420 217 2H6 A 22 2H6 A 22 22.308 -10.917 11.204 218 H2 A 22 H2 A 22 20.472 -11.168 7.335 219 1H5* A 23 1H5* A 23 16.168 -15.574 6.166 220 2H5* A 23 2H5* A 23 16.162 -17.199 5.451 221 H4* A 23 H4* A 23 18.442 -16.615 5.512 222 H3* A 23 H3* A 23 17.969 -17.944 8.263 223 H2* A 23 H2* A 23 20.499 -17.796 8.539 224 2HO* A 23 2HO* A 23 21.557 -17.852 6.821 225 H1* A 23 H1* A 23 20.539 -15.284 7.239 226 H8 A 23 H8 A 23 17.872 -14.953 10.023 227 1H6 A 23 1H6 A 23 22.697 -12.776 13.123 228 2H6 A 23 2H6 A 23 20.965 -12.809 13.044 229 H2 A 23 H2 A 23 24.186 -14.662 9.325 230 1H5* A 24 1H5* A 24 22.299 -18.421 5.184 231 2H5* A 24 2H5* A 24 20.782 -19.219 4.730 232 H4* A 24 H4* A 24 22.287 -20.371 3.612 233 H3* A 24 H3* A 24 21.079 -21.730 5.564 234 H2* A 24 H2* A 24 22.838 -22.280 7.274 235 2HO* A 24 2HO* A 24 23.056 -24.042 5.678 236 H1* A 24 H1* A 24 25.203 -21.586 6.030 237 H8 A 24 H8 A 24 22.481 -20.422 8.400 238 1H6 A 24 1H6 A 24 25.145 -17.210 10.959 239 2H6 A 24 2H6 A 24 26.726 -16.529 10.704 240 H2 A 24 H2 A 24 28.284 -18.255 6.850 241 1H5* C 25 1H5* C 25 20.204 -25.211 6.577 242 2H5* C 25 2H5* C 25 21.304 -23.891 7.000 243 H4* C 25 H4* C 25 21.534 -25.713 8.580 244 H3* C 25 H3* C 25 23.719 -24.618 7.279 245 H2* C 25 H2* C 25 23.919 -26.094 5.661 246 2HO* C 25 2HO* C 25 25.866 -26.229 7.024 247 H1* C 25 H1* C 25 23.372 -28.465 7.421 248 1H4 C 25 1H4 C 25 22.276 -31.983 2.320 249 2H4 C 25 2H4 C 25 22.463 -30.618 1.242 250 H5 C 25 H5 C 25 23.063 -28.427 2.047 251 H6 C 25 H6 C 25 22.787 -26.910 3.968 252 1H5* A 26 1H5* A 26 27.571 -25.831 11.424 253 2H5* A 26 2H5* A 26 27.132 -24.178 11.810 254 H4* A 26 H4* A 26 28.401 -25.246 9.281 255 H3* A 26 H3* A 26 29.257 -23.642 11.599 256 H2* A 26 H2* A 26 29.964 -21.762 10.516 257 2HO* A 26 2HO* A 26 31.486 -22.646 9.198 258 H1* A 26 H1* A 26 28.415 -21.716 8.242 259 H8 A 26 H8 A 26 25.902 -22.179 10.808 260 1H6 A 26 1H6 A 26 26.526 -18.053 13.625 261 2H6 A 26 2H6 A 26 27.642 -16.734 13.403 262 H2 A 26 H2 A 26 30.386 -17.760 10.042 263 1H5* C 27 1H5* C 27 33.294 -24.152 10.081 264 2H5* C 27 2H5* C 27 34.315 -25.023 11.244 265 H4* C 27 H4* C 27 35.397 -22.876 10.814 266 H3* C 27 H3* C 27 33.825 -22.342 13.311 267 H2* C 27 H2* C 27 35.185 -20.343 13.401 268 2HO* C 27 2HO* C 27 37.144 -20.862 12.729 269 H1* C 27 H1* C 27 34.825 -19.934 10.648 270 1H4 C 27 1H4 C 27 29.873 -17.137 14.040 271 2H4 C 27 2H4 C 27 31.002 -15.877 13.596 272 H5 C 27 H5 C 27 30.254 -19.331 13.693 273 H6 C 27 H6 C 27 31.610 -21.090 12.406 274 1H5* C 28 1H5* C 28 38.664 -21.296 13.756 275 2H5* C 28 2H5* C 28 38.807 -22.080 15.339 276 H4* C 28 H4* C 28 39.820 -19.674 14.963 277 H3* C 28 H3* C 28 38.301 -20.735 17.293 278 H2* C 28 H2* C 28 38.148 -18.718 18.396 279 2HO* C 28 2HO* C 28 40.181 -17.782 16.614 280 H1* C 28 H1* C 28 37.657 -17.037 16.212 281 1H4 C 28 1H4 C 28 31.984 -19.973 17.924 282 2H4 C 28 2H4 C 28 32.030 -18.438 18.776 283 H5 C 28 H5 C 28 33.838 -20.899 16.823 284 H6 C 28 H6 C 28 35.974 -20.331 15.590 285 1H5* G 29 1H5* G 29 40.855 -19.484 19.239 286 2H5* G 29 2H5* G 29 41.678 -20.126 20.672 287 H4* G 29 H4* G 29 39.821 -18.481 21.125 288 H3* G 29 H3* G 29 39.056 -21.258 22.097 289 H2* G 29 H2* G 29 37.217 -20.190 23.117 290 2HO* G 29 2HO* G 29 37.100 -17.922 23.277 291 H1* G 29 H1* G 29 36.885 -18.341 20.984 292 H8 G 29 H8 G 29 36.867 -21.591 19.069 293 H1 G 29 H1 G 29 31.104 -19.813 21.320 294 1H2 G 29 1H2 G 29 33.141 -17.763 23.581 295 2H2 G 29 2H2 G 29 31.529 -18.231 23.092 296 1H5* G 30 1H5* G 30 39.098 -18.974 25.035 297 2H5* G 30 2H5* G 30 39.231 -19.371 26.760 298 H4* G 30 H4* G 30 36.961 -18.649 25.947 299 H3* G 30 H3* G 30 37.268 -21.421 27.120 300 H2* G 30 H2* G 30 35.054 -21.886 26.637 301 2HO* G 30 2HO* G 30 33.470 -20.172 26.645 302 H1* G 30 H1* G 30 34.787 -19.562 24.881 303 H8 G 30 H8 G 30 36.255 -22.057 22.456 304 H1 G 30 H1 G 30 29.917 -22.611 23.123 305 1H2 G 30 1H2 G 30 30.302 -20.878 26.141 306 2H2 G 30 2H2 G 30 29.222 -21.658 25.005 Start of MODEL 4 1 1H5* A 3 1H5* A 3 26.251 -4.638 26.474 2 2H5* A 3 2H5* A 3 24.625 -5.183 27.004 3 H4* A 3 H4* A 3 24.359 -3.356 25.439 4 H3* A 3 H3* A 3 23.995 -5.785 23.537 5 H2* A 3 H2* A 3 23.366 -4.177 21.950 6 2HO* A 3 2HO* A 3 22.771 -2.149 22.408 7 H1* A 3 H1* A 3 25.688 -2.636 22.460 8 H8 A 3 H8 A 3 27.212 -5.529 22.720 9 1H6 A 3 1H6 A 3 28.038 -6.419 18.046 10 2H6 A 3 2H6 A 3 27.225 -5.901 16.559 11 H2 A 3 H2 A 3 23.839 -3.252 17.851 12 1H5* G 4 1H5* G 4 20.992 -4.717 23.199 13 2H5* G 4 2H5* G 4 19.316 -5.196 23.558 14 H4* G 4 H4* G 4 19.330 -4.860 21.249 15 H3* G 4 H3* G 4 20.472 -7.811 21.128 16 H2* G 4 H2* G 4 20.360 -7.598 18.751 17 2HO* G 4 2HO* G 4 18.672 -5.402 19.410 18 H1* G 4 H1* G 4 21.372 -5.062 18.769 19 H8 G 4 H8 G 4 23.634 -6.608 21.127 20 H1 G 4 H1 G 4 24.715 -7.540 14.831 21 1H2 G 4 1H2 G 4 21.229 -6.562 14.839 22 2H2 G 4 2H2 G 4 22.605 -7.037 13.882 23 1H5* U 5 1H5* U 5 16.555 -8.303 19.169 24 2H5* U 5 2H5* U 5 15.729 -9.795 19.642 25 H4* U 5 H4* U 5 15.893 -9.548 17.171 26 H3* U 5 H3* U 5 17.817 -11.808 18.023 27 H2* U 5 H2* U 5 18.025 -12.171 15.660 28 2HO* U 5 2HO* U 5 15.745 -10.560 15.623 29 H1* U 5 H1* U 5 18.436 -9.625 15.082 30 H3 U 5 H3 U 5 22.688 -10.561 14.737 31 H5 U 5 H5 U 5 22.102 -9.933 18.866 32 H6 U 5 H6 U 5 19.690 -9.975 18.470 33 1H5* G 6 1H5* G 6 15.981 -13.106 15.215 34 2H5* G 6 2H5* G 6 15.405 -14.777 15.072 35 H4* G 6 H4* G 6 16.961 -14.287 13.315 36 H3* G 6 H3* G 6 18.204 -15.972 15.457 37 H2* G 6 H2* G 6 20.163 -16.127 14.094 38 2HO* G 6 2HO* G 6 18.324 -15.613 12.094 39 H1* G 6 H1* G 6 19.980 -13.632 13.090 40 H8 G 6 H8 G 6 19.943 -13.148 16.849 41 H1 G 6 H1 G 6 25.685 -13.243 14.054 42 1H2 G 6 1H2 G 6 24.001 -14.845 11.404 43 2H2 G 6 2H2 G 6 25.508 -14.231 12.049 44 1H5* G 7 1H5* G 7 19.579 -19.648 15.905 45 2H5* G 7 2H5* G 7 19.150 -17.920 15.847 46 H4* G 7 H4* G 7 20.578 -18.467 13.470 47 H3* G 7 H3* G 7 21.708 -20.149 15.657 48 H2* G 7 H2* G 7 23.547 -18.817 16.122 49 2HO* G 7 2HO* G 7 23.737 -19.097 13.347 50 H1* G 7 H1* G 7 23.138 -16.759 14.416 51 H8 G 7 H8 G 7 21.226 -15.926 17.479 52 H1 G 7 H1 G 7 27.535 -14.668 17.579 53 1H2 G 7 1H2 G 7 27.504 -17.027 14.859 54 2H2 G 7 2H2 G 7 28.459 -15.961 15.861 55 1H5* CH 8 1H5* CH 8 22.532 -24.006 15.274 56 2H5* CH 8 2H5* CH 8 21.982 -22.334 15.584 57 H4* CH 8 H4* CH 8 24.753 -22.689 14.276 58 H3* CH 8 H3* CH 8 24.493 -23.411 17.390 59 H2* CH 8 H2* CH 8 26.776 -22.594 17.401 60 2HO* CH 8 2HO* CH 8 27.877 -22.170 15.274 61 H1* CH 8 H1* CH 8 26.509 -21.041 15.323 62 HN3 CH 8 HN3 CH 8 29.010 -18.612 18.051 63 1H4 CH 8 1H4 CH 8 28.743 -17.266 19.339 64 2H4 CH 8 2H4 CH 8 27.361 -16.694 20.204 65 H5 CH 8 H5 CH 8 25.107 -18.277 19.712 66 H6 CH 8 H6 CH 8 24.333 -19.974 18.053 67 1H5* G 9 1H5* G 9 22.119 -26.588 18.073 68 2H5* G 9 2H5* G 9 21.070 -25.895 16.810 69 H4* G 9 H4* G 9 20.413 -24.138 18.255 70 H3* G 9 H3* G 9 23.092 -24.008 18.980 71 H2* G 9 H2* G 9 22.937 -25.788 20.389 72 2HO* G 9 2HO* G 9 22.751 -24.854 22.625 73 H1* G 9 H1* G 9 20.310 -24.583 21.291 74 H8 G 9 H8 G 9 19.309 -25.997 23.277 75 H1 G 9 H1 G 9 23.193 -30.938 22.180 76 1H2 G 9 1H2 G 9 24.252 -29.075 19.425 77 2H2 G 9 2H2 G 9 24.409 -30.549 20.355 78 1H5* C 10 1H5* C 10 22.135 -23.042 22.566 79 2H5* C 10 2H5* C 10 21.233 -21.863 23.481 80 H4* C 10 H4* C 10 23.155 -22.015 24.909 81 H3* C 10 H3* C 10 24.627 -20.303 22.853 82 H2* C 10 H2* C 10 26.238 -20.204 24.366 83 2HO* C 10 2HO* C 10 24.217 -21.065 26.079 84 H1* C 10 H1* C 10 26.157 -22.939 24.690 85 1H4 C 10 1H4 C 10 29.090 -23.947 19.093 86 2H4 C 10 2H4 C 10 30.417 -23.557 20.181 87 H5 C 10 H5 C 10 26.801 -23.567 19.630 88 H6 C 10 H6 C 10 25.273 -23.081 21.250 89 1H5* C 11 1H5* C 11 23.840 -17.907 25.896 90 2H5* C 11 2H5* C 11 23.635 -16.166 26.095 91 H4* C 11 H4* C 11 25.900 -16.840 26.802 92 H3* C 11 H3* C 11 25.942 -15.410 24.118 93 H2* C 11 H2* C 11 28.314 -15.500 24.244 94 2HO* C 11 2HO* C 11 29.380 -16.015 26.184 95 H1* C 11 H1* C 11 28.321 -18.034 25.492 96 1H4 C 11 1H4 C 11 29.050 -20.551 19.836 97 2H4 C 11 2H4 C 11 30.600 -20.109 20.375 98 H5 C 11 H5 C 11 26.899 -19.723 20.922 99 H6 C 11 H6 C 11 26.183 -18.327 22.618 100 1H5* G 12 1H5* G 12 27.585 -12.257 26.416 101 2H5* G 12 2H5* G 12 27.179 -10.597 25.860 102 H4* G 12 H4* G 12 29.677 -11.266 25.657 103 H3* G 12 H3* G 12 28.376 -10.839 22.886 104 H2* G 12 H2* G 12 30.402 -11.055 22.029 105 2HO* G 12 2HO* G 12 31.302 -10.495 24.575 106 H1* G 12 H1* G 12 31.258 -13.088 23.465 107 H8 G 12 H8 G 12 27.775 -14.034 22.693 108 H1 G 12 H1 G 12 32.415 -16.425 18.914 109 1H2 G 12 1H2 G 12 34.404 -14.004 20.499 110 2H2 G 12 2H2 G 12 34.321 -15.335 19.361 111 1H5* A 13 1H5* A 13 32.440 -7.146 21.852 112 2H5* A 13 2H5* A 13 31.584 -8.047 20.594 113 H4* A 13 H4* A 13 33.789 -8.424 20.067 114 H3* A 13 H3* A 13 32.423 -10.616 21.275 115 H2* A 13 H2* A 13 33.890 -11.412 22.772 116 2HO* A 13 2HO* A 13 35.153 -11.745 20.388 117 H1* A 13 H1* A 13 36.212 -9.786 22.241 118 H8 A 13 H8 A 13 33.251 -10.391 24.694 119 1H6 A 13 1H6 A 13 35.552 -9.184 28.729 120 2H6 A 13 2H6 A 13 37.113 -8.467 29.056 121 H2 A 13 H2 A 13 39.101 -7.819 25.075 122 1H5* C 14 1H5* C 14 35.317 -13.087 18.865 123 2H5* C 14 2H5* C 14 36.556 -12.803 17.661 124 H4* C 14 H4* C 14 35.678 -14.677 16.755 125 H3* C 14 H3* C 14 33.958 -12.420 15.748 126 H2* C 14 H2* C 14 32.256 -13.984 14.971 127 2HO* C 14 2HO* C 14 32.754 -16.107 14.648 128 H1* C 14 H1* C 14 32.510 -15.795 16.816 129 1H4 C 14 1H4 C 14 28.508 -12.157 20.251 130 2H4 C 14 2H4 C 14 27.500 -13.206 19.288 131 H5 C 14 H5 C 14 30.921 -11.958 19.863 132 H6 C 14 H6 C 14 32.764 -12.687 18.442 133 1H5* C 15 1H5* C 15 34.271 -14.751 11.451 134 2H5* C 15 2H5* C 15 34.263 -13.248 10.525 135 H4* C 15 H4* C 15 32.532 -15.112 10.000 136 H3* C 15 H3* C 15 31.704 -12.218 10.207 137 H2* C 15 H2* C 15 29.589 -12.852 9.590 138 2HO* C 15 2HO* C 15 29.308 -14.911 8.853 139 H1* C 15 H1* C 15 29.368 -15.149 11.044 140 1H4 C 15 1H4 C 15 28.316 -11.599 16.344 141 2H4 C 15 2H4 C 15 26.746 -12.167 15.843 142 H5 C 15 H5 C 15 30.229 -11.801 15.141 143 H6 C 15 H6 C 15 31.305 -12.574 13.068 144 1H5* A 16 1H5* A 16 29.066 -13.709 6.554 145 2H5* A 16 2H5* A 16 29.143 -12.153 5.797 146 H4* A 16 H4* A 16 26.836 -13.005 6.470 147 H3* A 16 H3* A 16 27.620 -10.224 7.421 148 H2* A 16 H2* A 16 25.334 -10.274 8.574 149 2HO* A 16 2HO* A 16 24.892 -12.160 6.446 150 H1* A 16 H1* A 16 25.224 -12.750 9.018 151 H8 A 16 H8 A 16 28.436 -11.206 10.482 152 1H6 A 16 1H6 A 16 26.711 -10.535 14.859 153 2H6 A 16 2H6 A 16 25.080 -10.434 15.541 154 H2 A 16 H2 A 16 22.249 -11.147 12.135 155 1H5* C 17 1H5* C 17 24.343 -9.739 6.072 156 2H5* C 17 2H5* C 17 23.909 -8.210 5.304 157 H4* C 17 H4* C 17 22.542 -8.546 7.274 158 H3* C 17 H3* C 17 24.666 -6.455 7.755 159 H2* C 17 H2* C 17 23.438 -5.942 9.764 160 2HO* C 17 2HO* C 17 21.439 -7.074 10.152 161 H1* C 17 H1* C 17 22.833 -8.507 10.260 162 1H4 C 17 1H4 C 17 28.148 -8.599 13.901 163 2H4 C 17 2H4 C 17 26.811 -8.116 14.883 164 H5 C 17 H5 C 17 27.990 -8.672 11.223 165 H6 C 17 H6 C 17 26.383 -8.556 9.465 166 1H5* U 18 1H5* U 18 21.221 -1.939 8.422 167 2H5* U 18 2H5* U 18 22.942 -2.160 8.617 168 H4* U 18 H4* U 18 20.716 -3.285 10.383 169 H3* U 18 H3* U 18 21.985 -0.792 10.592 170 H2* U 18 H2* U 18 23.667 -1.491 12.288 171 2HO* U 18 2HO* U 18 21.057 -1.459 13.277 172 H1* U 18 H1* U 18 21.970 -3.639 12.962 173 H3 U 18 H3 U 18 25.306 -4.494 15.870 174 H5 U 18 H5 U 18 26.575 -5.594 12.039 175 H6 U 18 H6 U 18 24.847 -4.322 11.143 176 1H5* U 19 1H5* U 19 18.231 -2.592 12.217 177 2H5* U 19 2H5* U 19 16.914 -1.720 11.511 178 H4* U 19 H4* U 19 16.124 -2.540 13.751 179 H3* U 19 H3* U 19 15.898 0.273 13.566 180 H2* U 19 H2* U 19 18.357 0.560 14.442 181 2HO* U 19 2HO* U 19 16.447 0.794 16.588 182 H1* U 19 H1* U 19 17.224 -1.225 16.559 183 H3 U 19 H3 U 19 20.747 -1.253 19.336 184 H5 U 19 H5 U 19 22.518 -0.553 15.555 185 H6 U 19 H6 U 19 20.410 -0.516 14.634 186 1H5* A 20 1H5* A 20 14.319 -1.288 11.798 187 2H5* A 20 2H5* A 20 12.662 -1.861 12.085 188 H4* A 20 H4* A 20 13.891 -3.286 10.367 189 H3* A 20 H3* A 20 13.155 -4.502 13.077 190 H2* A 20 H2* A 20 13.989 -6.537 12.513 191 2HO* A 20 2HO* A 20 13.949 -7.268 10.491 192 H1* A 20 H1* A 20 16.068 -5.610 10.892 193 H8 A 20 H8 A 20 14.774 -5.925 14.478 194 1H6 A 20 1H6 A 20 18.973 -6.027 16.850 195 2H6 A 20 2H6 A 20 20.634 -5.844 16.344 196 H2 A 20 H2 A 20 20.574 -5.167 11.895 197 1H5* A 21 1H5* A 21 12.389 -7.105 9.249 198 2H5* A 21 2H5* A 21 10.889 -7.968 9.646 199 H4* A 21 H4* A 21 12.579 -9.588 8.901 200 H3* A 21 H3* A 21 11.646 -9.569 11.758 201 H2* A 21 H2* A 21 13.454 -10.685 12.614 202 2HO* A 21 2HO* A 21 13.780 -12.099 10.217 203 H1* A 21 H1* A 21 15.186 -10.766 10.466 204 H8 A 21 H8 A 21 15.008 -9.875 13.942 205 1H6 A 21 1H6 A 21 20.562 -7.340 13.155 206 2H6 A 21 2H6 A 21 19.434 -7.962 14.336 207 H2 A 21 H2 A 21 18.725 -7.867 9.127 208 1H5* A 22 1H5* A 22 12.271 -14.841 8.246 209 2H5* A 22 2H5* A 22 13.698 -14.861 9.283 210 H4* A 22 H4* A 22 13.228 -12.966 6.901 211 H3* A 22 H3* A 22 15.021 -15.318 7.584 212 H2* A 22 H2* A 22 16.944 -14.297 7.069 213 2HO* A 22 2HO* A 22 16.943 -12.784 5.193 214 H1* A 22 H1* A 22 15.929 -11.608 6.682 215 H8 A 22 H8 A 22 16.322 -12.670 10.250 216 1H6 A 22 1H6 A 22 22.071 -10.525 9.964 217 2H6 A 22 2H6 A 22 20.854 -11.196 11.026 218 H2 A 22 H2 A 22 20.443 -10.412 5.979 219 1H5* A 23 1H5* A 23 16.706 -15.002 4.164 220 2H5* A 23 2H5* A 23 16.391 -16.471 3.222 221 H4* A 23 H4* A 23 18.673 -16.403 3.105 222 H3* A 23 H3* A 23 18.272 -17.758 5.853 223 H2* A 23 H2* A 23 20.841 -18.131 5.733 224 2HO* A 23 2HO* A 23 20.704 -18.436 3.459 225 H1* A 23 H1* A 23 21.215 -15.510 4.945 226 H8 A 23 H8 A 23 18.410 -15.833 7.656 227 1H6 A 23 1H6 A 23 21.174 -14.356 11.401 228 2H6 A 23 2H6 A 23 22.835 -13.868 11.484 229 H2 A 23 H2 A 23 24.621 -14.436 7.399 230 1H5* A 24 1H5* A 24 21.257 -21.844 4.354 231 2H5* A 24 2H5* A 24 20.198 -22.509 5.613 232 H4* A 24 H4* A 24 22.755 -22.468 6.187 233 H3* A 24 H3* A 24 20.630 -21.873 8.086 234 H2* A 24 H2* A 24 21.966 -20.522 9.230 235 2HO* A 24 2HO* A 24 23.683 -21.454 10.232 236 H1* A 24 H1* A 24 24.385 -20.908 7.495 237 H8 A 24 H8 A 24 21.982 -18.322 9.204 238 1H6 A 24 1H6 A 24 26.935 -14.774 9.574 239 2H6 A 24 2H6 A 24 25.298 -15.022 10.127 240 H2 A 24 H2 A 24 27.828 -17.983 6.667 241 1H5* C 25 1H5* C 25 19.470 -25.648 9.464 242 2H5* C 25 2H5* C 25 20.554 -24.247 9.454 243 H4* C 25 H4* C 25 21.125 -25.703 11.315 244 H3* C 25 H3* C 25 23.016 -24.835 9.554 245 H2* C 25 H2* C 25 22.973 -26.485 8.104 246 2HO* C 25 2HO* C 25 25.070 -26.560 9.523 247 H1* C 25 H1* C 25 22.796 -28.704 10.125 248 1H4 C 25 1H4 C 25 19.865 -32.542 6.085 249 2H4 C 25 2H4 C 25 20.031 -31.396 4.774 250 H5 C 25 H5 C 25 21.180 -29.295 5.042 251 H6 C 25 H6 C 25 21.712 -27.552 6.662 252 1H5* A 26 1H5* A 26 27.696 -25.600 11.368 253 2H5* A 26 2H5* A 26 27.230 -23.993 11.891 254 H4* A 26 H4* A 26 28.331 -24.846 9.210 255 H3* A 26 H3* A 26 29.338 -23.430 11.586 256 H2* A 26 H2* A 26 29.916 -21.441 10.635 257 2HO* A 26 2HO* A 26 31.245 -22.741 9.076 258 H1* A 26 H1* A 26 28.257 -21.268 8.426 259 H8 A 26 H8 A 26 25.884 -21.973 11.117 260 1H6 A 26 1H6 A 26 26.934 -16.345 13.442 261 2H6 A 26 2H6 A 26 25.938 -17.774 13.571 262 H2 A 26 H2 A 26 30.011 -17.185 10.269 263 1H5* C 27 1H5* C 27 34.811 -24.441 11.703 264 2H5* C 27 2H5* C 27 33.440 -24.033 12.817 265 H4* C 27 H4* C 27 34.288 -22.239 10.462 266 H3* C 27 H3* C 27 35.575 -21.503 13.208 267 H2* C 27 H2* C 27 34.836 -19.456 12.873 268 2HO* C 27 2HO* C 27 36.463 -19.202 11.304 269 H1* C 27 H1* C 27 33.342 -20.042 10.365 270 1H4 C 27 1H4 C 27 30.434 -15.084 13.085 271 2H4 C 27 2H4 C 27 29.333 -16.210 13.850 272 H5 C 27 H5 C 27 29.787 -18.505 14.031 273 H6 C 27 H6 C 27 30.898 -20.406 12.898 274 1H5* C 28 1H5* C 28 38.845 -21.105 14.587 275 2H5* C 28 2H5* C 28 37.133 -20.876 14.991 276 H4* C 28 H4* C 28 39.285 -18.726 14.875 277 H3* C 28 H3* C 28 38.002 -20.320 17.003 278 H2* C 28 H2* C 28 37.147 -18.612 18.252 279 2HO* C 28 2HO* C 28 38.852 -17.484 18.850 280 H1* C 28 H1* C 28 36.904 -16.507 16.371 281 1H4 C 28 1H4 C 28 31.191 -19.734 17.204 282 2H4 C 28 2H4 C 28 31.158 -18.418 18.349 283 H5 C 28 H5 C 28 32.994 -20.296 15.867 284 H6 C 28 H6 C 28 35.234 -19.588 15.037 285 1H5* G 29 1H5* G 29 41.137 -18.696 19.303 286 2H5* G 29 2H5* G 29 41.999 -19.728 20.454 287 H4* G 29 H4* G 29 40.498 -17.852 21.389 288 H3* G 29 H3* G 29 39.646 -20.640 22.290 289 H2* G 29 H2* G 29 37.892 -19.670 23.471 290 2HO* G 29 2HO* G 29 39.639 -17.560 23.590 291 H1* G 29 H1* G 29 37.384 -17.570 21.659 292 H8 G 29 H8 G 29 37.426 -20.577 19.363 293 H1 G 29 H1 G 29 31.644 -19.107 21.755 294 1H2 G 29 1H2 G 29 33.652 -17.288 24.227 295 2H2 G 29 2H2 G 29 32.051 -17.716 23.676 296 1H5* G 30 1H5* G 30 40.362 -22.972 25.554 297 2H5* G 30 2H5* G 30 40.299 -22.468 23.843 298 H4* G 30 H4* G 30 38.819 -20.585 25.408 299 H3* G 30 H3* G 30 38.317 -23.452 26.209 300 H2* G 30 H2* G 30 36.064 -23.293 25.812 301 2HO* G 30 2HO* G 30 36.449 -20.994 27.198 302 H1* G 30 H1* G 30 36.210 -20.769 24.372 303 H8 G 30 H8 G 30 37.111 -23.104 21.563 304 H1 G 30 H1 G 30 30.815 -22.677 22.457 305 1H2 G 30 1H2 G 30 31.507 -21.448 25.660 306 2H2 G 30 2H2 G 30 30.298 -21.878 24.463 Start of MODEL 5 1 1H5* A 3 1H5* A 3 25.917 -3.719 25.861 2 2H5* A 3 2H5* A 3 24.255 -3.821 26.527 3 H4* A 3 H4* A 3 24.087 -2.239 24.825 4 H3* A 3 H3* A 3 23.493 -4.768 23.131 5 H2* A 3 H2* A 3 22.991 -3.273 21.397 6 2HO* A 3 2HO* A 3 22.505 -1.187 21.672 7 H1* A 3 H1* A 3 25.401 -1.807 21.794 8 H8 A 3 H8 A 3 26.793 -4.752 22.156 9 1H6 A 3 1H6 A 3 27.539 -5.850 17.533 10 2H6 A 3 2H6 A 3 26.747 -5.361 16.025 11 H2 A 3 H2 A 3 23.466 -2.530 17.234 12 1H5* G 4 1H5* G 4 20.482 -3.620 22.797 13 2H5* G 4 2H5* G 4 18.811 -4.106 23.131 14 H4* G 4 H4* G 4 18.938 -4.009 20.812 15 H3* G 4 H3* G 4 20.139 -6.936 21.010 16 H2* G 4 H2* G 4 20.101 -6.895 18.587 17 2HO* G 4 2HO* G 4 19.098 -5.229 17.485 18 H1* G 4 H1* G 4 21.088 -4.388 18.469 19 H8 G 4 H8 G 4 23.296 -5.795 21.009 20 H1 G 4 H1 G 4 24.386 -7.296 14.844 21 1H2 G 4 1H2 G 4 20.911 -6.281 14.725 22 2H2 G 4 2H2 G 4 22.286 -6.863 13.827 23 1H5* U 5 1H5* U 5 15.917 -8.385 19.436 24 2H5* U 5 2H5* U 5 15.819 -10.073 19.832 25 H4* U 5 H4* U 5 15.818 -9.269 17.291 26 H3* U 5 H3* U 5 17.951 -11.453 17.874 27 H2* U 5 H2* U 5 18.335 -11.444 15.583 28 2HO* U 5 2HO* U 5 17.121 -10.370 14.121 29 H1* U 5 H1* U 5 18.537 -8.850 15.333 30 H3 U 5 H3 U 5 22.643 -10.308 15.011 31 H5 U 5 H5 U 5 22.147 -9.100 19.008 32 H6 U 5 H6 U 5 19.698 -9.057 18.622 33 1H5* G 6 1H5* G 6 15.829 -12.908 15.289 34 2H5* G 6 2H5* G 6 15.111 -14.514 15.076 35 H4* G 6 H4* G 6 16.734 -14.123 13.342 36 H3* G 6 H3* G 6 17.856 -15.916 15.504 37 H2* G 6 H2* G 6 19.824 -16.130 14.192 38 2HO* G 6 2HO* G 6 18.064 -15.498 12.150 39 H1* G 6 H1* G 6 19.802 -13.641 13.231 40 H8 G 6 H8 G 6 19.626 -13.232 16.994 41 H1 G 6 H1 G 6 25.503 -13.655 14.507 42 1H2 G 6 1H2 G 6 23.838 -15.086 11.726 43 2H2 G 6 2H2 G 6 25.362 -14.593 12.437 44 1H5* G 7 1H5* G 7 18.830 -19.684 16.104 45 2H5* G 7 2H5* G 7 18.393 -17.963 16.109 46 H4* G 7 H4* G 7 20.133 -18.308 13.916 47 H3* G 7 H3* G 7 20.970 -20.195 16.082 48 H2* G 7 H2* G 7 22.765 -18.975 16.763 49 2HO* G 7 2HO* G 7 23.255 -19.183 14.035 50 H1* G 7 H1* G 7 22.568 -16.863 15.010 51 H8 G 7 H8 G 7 20.781 -15.808 18.082 52 H1 G 7 H1 G 7 27.210 -15.040 18.156 53 1H2 G 7 1H2 G 7 26.917 -17.445 15.469 54 2H2 G 7 2H2 G 7 27.958 -16.447 16.457 55 1H5* CH 8 1H5* CH 8 22.917 -24.258 15.197 56 2H5* CH 8 2H5* CH 8 22.293 -22.784 15.986 57 H4* CH 8 H4* CH 8 25.115 -22.977 14.594 58 H3* CH 8 H3* CH 8 24.843 -23.506 17.755 59 H2* CH 8 H2* CH 8 27.147 -22.751 17.675 60 2HO* CH 8 2HO* CH 8 28.194 -22.394 15.548 61 H1* CH 8 H1* CH 8 26.873 -21.212 15.651 62 HN3 CH 8 HN3 CH 8 29.022 -18.746 18.624 63 1H4 CH 8 1H4 CH 8 26.720 -17.115 20.649 64 2H4 CH 8 2H4 CH 8 28.389 -17.104 20.277 65 H5 CH 8 H5 CH 8 25.010 -18.622 19.944 66 H6 CH 8 H6 CH 8 24.459 -20.317 18.212 67 1H5* G 9 1H5* G 9 22.817 -26.929 18.648 68 2H5* G 9 2H5* G 9 21.461 -26.061 17.890 69 H4* G 9 H4* G 9 21.297 -24.612 19.716 70 H3* G 9 H3* G 9 24.184 -24.604 19.545 71 H2* G 9 H2* G 9 24.891 -25.454 21.582 72 2HO* G 9 2HO* G 9 23.123 -23.701 22.464 73 H1* G 9 H1* G 9 22.981 -27.057 22.413 74 H8 G 9 H8 G 9 22.948 -29.414 20.915 75 H1 G 9 H1 G 9 27.896 -27.055 17.660 76 1H2 G 9 1H2 G 9 26.935 -23.992 19.017 77 2H2 G 9 2H2 G 9 28.049 -24.867 17.991 78 1H5* C 10 1H5* C 10 21.859 -23.149 23.875 79 2H5* C 10 2H5* C 10 20.986 -21.663 24.180 80 H4* C 10 H4* C 10 22.795 -21.748 25.846 81 H3* C 10 H3* C 10 24.282 -20.136 23.685 82 H2* C 10 H2* C 10 25.877 -19.874 25.181 83 2HO* C 10 2HO* C 10 25.676 -20.593 27.282 84 H1* C 10 H1* C 10 25.883 -22.587 25.732 85 1H4 C 10 1H4 C 10 28.821 -23.985 20.211 86 2H4 C 10 2H4 C 10 30.126 -23.532 21.304 87 H5 C 10 H5 C 10 26.476 -23.548 20.680 88 H6 C 10 H6 C 10 24.929 -22.970 22.284 89 1H5* C 11 1H5* C 11 23.829 -17.687 26.583 90 2H5* C 11 2H5* C 11 23.791 -15.925 26.678 91 H4* C 11 H4* C 11 25.993 -16.808 27.404 92 H3* C 11 H3* C 11 26.086 -15.380 24.725 93 H2* C 11 H2* C 11 28.453 -15.675 24.779 94 2HO* C 11 2HO* C 11 29.516 -16.314 26.687 95 H1* C 11 H1* C 11 28.296 -18.191 26.026 96 1H4 C 11 1H4 C 11 28.456 -20.800 20.334 97 2H4 C 11 2H4 C 11 30.076 -20.551 20.788 98 H5 C 11 H5 C 11 26.518 -19.768 21.492 99 H6 C 11 H6 C 11 25.998 -18.275 23.215 100 1H5* G 12 1H5* G 12 27.987 -12.354 26.948 101 2H5* G 12 2H5* G 12 27.691 -10.676 26.394 102 H4* G 12 H4* G 12 30.096 -11.506 26.059 103 H3* G 12 H3* G 12 28.693 -11.170 23.328 104 H2* G 12 H2* G 12 30.750 -11.455 22.443 105 2HO* G 12 2HO* G 12 31.658 -10.948 25.031 106 H1* G 12 H1* G 12 31.453 -13.466 23.951 107 H8 G 12 H8 G 12 27.965 -14.288 23.141 108 H1 G 12 H1 G 12 32.416 -16.828 19.453 109 1H2 G 12 1H2 G 12 34.631 -14.585 20.946 110 2H2 G 12 2H2 G 12 34.411 -15.903 19.802 111 1H5* A 13 1H5* A 13 31.393 -7.648 20.829 112 2H5* A 13 2H5* A 13 30.780 -9.138 20.104 113 H4* A 13 H4* A 13 33.043 -8.886 19.254 114 H3* A 13 H3* A 13 32.543 -11.010 21.246 115 H2* A 13 H2* A 13 34.395 -10.583 22.433 116 2HO* A 13 2HO* A 13 35.293 -11.787 20.042 117 H1* A 13 H1* A 13 35.464 -9.012 20.046 118 H8 A 13 H8 A 13 34.974 -7.526 23.444 119 1H6 A 13 1H6 A 13 41.038 -7.923 24.408 120 2H6 A 13 2H6 A 13 39.524 -7.300 25.022 121 H2 A 13 H2 A 13 40.077 -10.175 20.634 122 1H5* C 14 1H5* C 14 34.746 -13.483 18.973 123 2H5* C 14 2H5* C 14 36.114 -13.584 17.954 124 H4* C 14 H4* C 14 35.351 -15.483 17.142 125 H3* C 14 H3* C 14 33.697 -13.406 15.856 126 H2* C 14 H2* C 14 31.879 -14.899 15.334 127 2HO* C 14 2HO* C 14 32.237 -17.055 15.112 128 H1* C 14 H1* C 14 32.037 -16.637 17.303 129 1H4 C 14 1H4 C 14 28.446 -12.590 20.727 130 2H4 C 14 2H4 C 14 27.352 -13.592 19.799 131 H5 C 14 H5 C 14 30.852 -12.600 20.275 132 H6 C 14 H6 C 14 32.553 -13.490 18.810 133 1H5* C 15 1H5* C 15 34.406 -14.274 11.122 134 2H5* C 15 2H5* C 15 33.684 -12.677 10.955 135 H4* C 15 H4* C 15 32.522 -15.190 10.388 136 H3* C 15 H3* C 15 31.139 -12.512 10.720 137 H2* C 15 H2* C 15 29.235 -13.661 10.069 138 2HO* C 15 2HO* C 15 29.401 -15.430 9.064 139 H1* C 15 H1* C 15 29.561 -15.833 11.741 140 1H4 C 15 1H4 C 15 28.078 -12.191 16.900 141 2H4 C 15 2H4 C 15 26.510 -12.683 16.333 142 H5 C 15 H5 C 15 29.998 -12.494 15.891 143 H6 C 15 H6 C 15 31.174 -13.239 13.861 144 1H5* A 16 1H5* A 16 29.389 -13.528 7.294 145 2H5* A 16 2H5* A 16 29.068 -12.153 6.368 146 H4* A 16 H4* A 16 27.002 -13.332 6.858 147 H3* A 16 H3* A 16 27.182 -10.627 8.217 148 H2* A 16 H2* A 16 24.890 -11.175 9.140 149 2HO* A 16 2HO* A 16 23.670 -12.763 8.238 150 H1* A 16 H1* A 16 25.292 -13.580 9.602 151 H8 A 16 H8 A 16 28.379 -11.869 11.009 152 1H6 A 16 1H6 A 16 26.661 -10.549 15.164 153 2H6 A 16 2H6 A 16 25.044 -10.242 15.812 154 H2 A 16 H2 A 16 22.194 -11.242 12.505 155 1H5* C 17 1H5* C 17 24.344 -10.234 6.370 156 2H5* C 17 2H5* C 17 23.741 -8.854 5.447 157 H4* C 17 H4* C 17 22.351 -9.199 7.406 158 H3* C 17 H3* C 17 24.111 -6.744 7.524 159 H2* C 17 H2* C 17 23.188 -6.173 9.594 160 2HO* C 17 2HO* C 17 21.233 -7.210 10.316 161 H1* C 17 H1* C 17 22.575 -8.719 10.367 162 1H4 C 17 1H4 C 17 27.815 -8.479 14.054 163 2H4 C 17 2H4 C 17 26.477 -7.894 14.975 164 H5 C 17 H5 C 17 27.684 -8.778 11.414 165 H6 C 17 H6 C 17 26.095 -8.802 9.646 166 1H5* U 18 1H5* U 18 20.553 -3.144 7.645 167 2H5* U 18 2H5* U 18 22.172 -2.451 7.703 168 H4* U 18 H4* U 18 20.261 -3.278 9.897 169 H3* U 18 H3* U 18 21.532 -0.768 9.407 170 H2* U 18 H2* U 18 23.222 -1.048 11.261 171 2HO* U 18 2HO* U 18 21.714 -1.461 13.263 172 H1* U 18 H1* U 18 21.618 -3.038 12.450 173 H3 U 18 H3 U 18 24.900 -3.905 15.272 174 H5 U 18 H5 U 18 26.094 -5.244 11.464 175 H6 U 18 H6 U 18 24.411 -3.964 10.508 176 1H5* U 19 1H5* U 19 18.169 -2.124 12.059 177 2H5* U 19 2H5* U 19 16.964 -1.062 11.373 178 H4* U 19 H4* U 19 16.167 -1.798 13.667 179 H3* U 19 H3* U 19 16.157 0.994 13.359 180 H2* U 19 H2* U 19 18.672 1.139 14.143 181 2HO* U 19 2HO* U 19 17.114 2.661 15.133 182 H1* U 19 H1* U 19 17.508 -0.446 16.388 183 H3 U 19 H3 U 19 21.172 -0.427 18.975 184 H5 U 19 H5 U 19 22.789 -0.153 15.074 185 H6 U 19 H6 U 19 20.629 -0.140 14.238 186 1H5* A 20 1H5* A 20 13.391 -1.011 12.053 187 2H5* A 20 2H5* A 20 12.087 -1.704 13.043 188 H4* A 20 H4* A 20 13.064 -3.320 11.265 189 H3* A 20 H3* A 20 13.079 -3.918 14.246 190 H2* A 20 H2* A 20 14.203 -5.855 14.018 191 2HO* A 20 2HO* A 20 14.252 -6.939 11.985 192 H1* A 20 H1* A 20 15.667 -5.194 11.679 193 H8 A 20 H8 A 20 15.232 -4.534 15.447 194 1H6 A 20 1H6 A 20 21.329 -4.379 15.923 195 2H6 A 20 2H6 A 20 19.818 -4.323 16.793 196 H2 A 20 H2 A 20 20.391 -4.788 11.619 197 1H5* A 21 1H5* A 21 10.202 -7.772 10.893 198 2H5* A 21 2H5* A 21 11.045 -7.529 12.440 199 H4* A 21 H4* A 21 12.173 -8.927 9.928 200 H3* A 21 H3* A 21 11.508 -10.004 12.675 201 H2* A 21 H2* A 21 13.642 -10.489 12.904 202 2HO* A 21 2HO* A 21 12.972 -12.111 10.719 203 H1* A 21 H1* A 21 14.264 -9.603 9.998 204 H8 A 21 H8 A 21 15.392 -9.440 13.730 205 1H6 A 21 1H6 A 21 19.869 -7.864 13.110 206 2H6 A 21 2H6 A 21 20.895 -7.682 11.707 207 H2 A 21 H2 A 21 18.444 -8.859 8.143 208 1H5* A 22 1H5* A 22 12.631 -14.704 8.850 209 2H5* A 22 2H5* A 22 13.395 -13.713 10.080 210 H4* A 22 H4* A 22 13.232 -12.580 7.315 211 H3* A 22 H3* A 22 14.700 -15.082 8.135 212 H2* A 22 H2* A 22 16.744 -14.237 7.987 213 2HO* A 22 2HO* A 22 17.357 -14.210 5.978 214 H1* A 22 H1* A 22 15.946 -11.571 7.013 215 H8 A 22 H8 A 22 16.292 -11.763 10.682 216 1H6 A 22 1H6 A 22 22.360 -10.839 9.942 217 2H6 A 22 2H6 A 22 21.091 -10.981 11.137 218 H2 A 22 H2 A 22 20.627 -11.476 6.057 219 1H5* A 23 1H5* A 23 16.656 -14.929 4.513 220 2H5* A 23 2H5* A 23 16.230 -16.422 3.659 221 H4* A 23 H4* A 23 18.524 -16.493 3.540 222 H3* A 23 H3* A 23 18.030 -17.736 6.323 223 H2* A 23 H2* A 23 20.585 -18.286 6.215 224 2HO* A 23 2HO* A 23 21.555 -17.507 4.285 225 H1* A 23 H1* A 23 21.124 -15.724 5.341 226 H8 A 23 H8 A 23 18.298 -15.795 8.033 227 1H6 A 23 1H6 A 23 21.095 -14.187 11.683 228 2H6 A 23 2H6 A 23 22.804 -13.870 11.777 229 H2 A 23 H2 A 23 24.586 -14.836 7.775 230 1H5* A 24 1H5* A 24 19.377 -22.423 6.046 231 2H5* A 24 2H5* A 24 19.847 -21.887 7.688 232 H4* A 24 H4* A 24 21.188 -20.974 5.107 233 H3* A 24 H3* A 24 21.645 -23.337 6.790 234 H2* A 24 H2* A 24 23.226 -22.365 8.017 235 2HO* A 24 2HO* A 24 24.859 -23.475 7.021 236 H1* A 24 H1* A 24 23.544 -20.159 5.927 237 H8 A 24 H8 A 24 22.335 -20.188 9.342 238 1H6 A 24 1H6 A 24 26.571 -15.779 10.427 239 2H6 A 24 2H6 A 24 25.090 -16.497 11.012 240 H2 A 24 H2 A 24 27.596 -17.922 6.576 241 1H5* C 25 1H5* C 25 21.770 -27.462 5.696 242 2H5* C 25 2H5* C 25 21.346 -25.951 6.494 243 H4* C 25 H4* C 25 22.680 -27.101 7.989 244 H3* C 25 H3* C 25 23.409 -24.629 7.117 245 H2* C 25 H2* C 25 25.176 -25.036 5.875 246 2HO* C 25 2HO* C 25 27.157 -25.018 7.168 247 H1* C 25 H1* C 25 26.109 -27.316 7.627 248 1H4 C 25 1H4 C 25 29.980 -28.154 2.730 249 2H4 C 25 2H4 C 25 28.637 -28.211 1.611 250 H5 C 25 H5 C 25 26.372 -28.120 2.337 251 H6 C 25 H6 C 25 24.885 -27.172 4.162 252 1H5* A 26 1H5* A 26 26.314 -24.450 11.861 253 2H5* A 26 2H5* A 26 24.933 -24.158 10.801 254 H4* A 26 H4* A 26 26.998 -24.579 8.987 255 H3* A 26 H3* A 26 28.121 -23.272 11.429 256 H2* A 26 H2* A 26 28.919 -21.422 10.361 257 2HO* A 26 2HO* A 26 30.151 -22.593 8.852 258 H1* A 26 H1* A 26 27.124 -21.206 8.225 259 H8 A 26 H8 A 26 24.622 -21.043 10.595 260 1H6 A 26 1H6 A 26 27.146 -16.176 13.507 261 2H6 A 26 2H6 A 26 25.779 -17.260 13.512 262 H2 A 26 H2 A 26 30.094 -17.744 10.485 263 1H5* C 27 1H5* C 27 31.789 -23.637 9.782 264 2H5* C 27 2H5* C 27 32.964 -24.621 10.676 265 H4* C 27 H4* C 27 33.851 -22.339 10.513 266 H3* C 27 H3* C 27 32.630 -22.392 13.250 267 H2* C 27 H2* C 27 33.856 -20.350 13.500 268 2HO* C 27 2HO* C 27 35.774 -20.932 12.587 269 H1* C 27 H1* C 27 33.317 -19.623 10.792 270 1H4 C 27 1H4 C 27 28.737 -16.620 14.442 271 2H4 C 27 2H4 C 27 30.012 -15.468 14.117 272 H5 C 27 H5 C 27 28.991 -18.865 14.117 273 H6 C 27 H6 C 27 30.138 -20.628 12.616 274 1H5* C 28 1H5* C 28 37.512 -21.181 13.497 275 2H5* C 28 2H5* C 28 37.744 -22.199 14.928 276 H4* C 28 H4* C 28 38.656 -19.757 14.969 277 H3* C 28 H3* C 28 37.055 -21.114 17.096 278 H2* C 28 H2* C 28 36.951 -19.238 18.443 279 2HO* C 28 2HO* C 28 39.049 -18.570 18.479 280 H1* C 28 H1* C 28 36.613 -17.282 16.468 281 1H4 C 28 1H4 C 28 30.925 -20.214 18.221 282 2H4 C 28 2H4 C 28 31.045 -18.770 19.209 283 H5 C 28 H5 C 28 32.562 -20.955 16.784 284 H6 C 28 H6 C 28 34.682 -20.374 15.540 285 1H5* G 29 1H5* G 29 40.559 -20.505 19.095 286 2H5* G 29 2H5* G 29 41.352 -21.644 20.192 287 H4* G 29 H4* G 29 40.214 -19.642 21.272 288 H3* G 29 H3* G 29 38.844 -22.254 22.034 289 H2* G 29 H2* G 29 37.486 -20.968 23.479 290 2HO* G 29 2HO* G 29 37.938 -18.783 23.899 291 H1* G 29 H1* G 29 37.143 -18.872 21.617 292 H8 G 29 H8 G 29 36.715 -21.889 19.387 293 H1 G 29 H1 G 29 31.300 -19.690 22.093 294 1H2 G 29 1H2 G 29 33.654 -18.145 24.444 295 2H2 G 29 2H2 G 29 31.979 -18.367 23.993 296 1H5* G 30 1H5* G 30 40.161 -20.690 25.298 297 2H5* G 30 2H5* G 30 40.404 -21.466 26.874 298 H4* G 30 H4* G 30 38.272 -20.138 26.576 299 H3* G 30 H3* G 30 38.068 -23.099 27.168 300 H2* G 30 H2* G 30 35.736 -22.947 27.096 301 2HO* G 30 2HO* G 30 34.682 -20.903 27.468 302 H1* G 30 H1* G 30 35.729 -20.512 25.554 303 H8 G 30 H8 G 30 36.812 -22.979 22.888 304 H1 G 30 H1 G 30 30.479 -22.519 23.541 305 1H2 G 30 1H2 G 30 31.098 -21.105 26.682 306 2H2 G 30 2H2 G 30 29.922 -21.602 25.483 Start of MODEL 6 1 1H5* A 3 1H5* A 3 23.999 -5.571 26.503 2 2H5* A 3 2H5* A 3 22.263 -5.969 26.786 3 H4* A 3 H4* A 3 22.301 -4.006 25.495 4 H3* A 3 H3* A 3 22.098 -6.123 23.211 5 H2* A 3 H2* A 3 21.972 -4.329 21.731 6 2HO* A 3 2HO* A 3 21.324 -2.351 22.261 7 H1* A 3 H1* A 3 24.192 -3.010 22.845 8 H8 A 3 H8 A 3 25.607 -6.035 22.931 9 1H6 A 3 1H6 A 3 27.142 -6.295 18.375 10 2H6 A 3 2H6 A 3 26.590 -5.531 16.871 11 H2 A 3 H2 A 3 23.099 -2.939 17.997 12 1H5* G 4 1H5* G 4 19.096 -4.841 22.542 13 2H5* G 4 2H5* G 4 17.375 -5.193 22.443 14 H4* G 4 H4* G 4 18.034 -4.763 20.256 15 H3* G 4 H3* G 4 18.850 -7.851 20.150 16 H2* G 4 H2* G 4 19.819 -7.428 18.052 17 2HO* G 4 2HO* G 4 17.979 -5.316 18.001 18 H1* G 4 H1* G 4 20.609 -4.896 18.536 19 H8 G 4 H8 G 4 22.482 -6.749 21.135 20 H1 G 4 H1 G 4 24.354 -7.362 15.037 21 1H2 G 4 1H2 G 4 20.929 -6.288 14.632 22 2H2 G 4 2H2 G 4 22.401 -6.766 13.846 23 1H5* U 5 1H5* U 5 15.738 -8.233 15.189 24 2H5* U 5 2H5* U 5 14.416 -9.328 15.813 25 H4* U 5 H4* U 5 16.033 -10.839 15.792 26 H3* U 5 H3* U 5 16.233 -9.515 18.477 27 H2* U 5 H2* U 5 18.259 -8.919 17.642 28 2HO* U 5 2HO* U 5 17.947 -10.081 19.752 29 H1* U 5 H1* U 5 18.388 -11.489 16.497 30 H3 U 5 H3 U 5 22.658 -10.459 14.802 31 H5 U 5 H5 U 5 22.489 -10.647 19.066 32 H6 U 5 H6 U 5 20.232 -10.397 18.927 33 1H5* G 6 1H5* G 6 15.780 -12.861 14.961 34 2H5* G 6 2H5* G 6 15.559 -14.605 15.041 35 H4* G 6 H4* G 6 17.507 -13.534 13.688 36 H3* G 6 H3* G 6 18.018 -15.826 15.616 37 H2* G 6 H2* G 6 20.220 -15.827 14.763 38 2HO* G 6 2HO* G 6 20.733 -14.634 12.847 39 H1* G 6 H1* G 6 20.241 -13.232 14.095 40 H8 G 6 H8 G 6 20.326 -13.261 17.937 41 H1 G 6 H1 G 6 25.901 -13.522 14.767 42 1H2 G 6 1H2 G 6 23.933 -14.539 12.021 43 2H2 G 6 2H2 G 6 25.530 -14.171 12.618 44 1H5* G 7 1H5* G 7 19.528 -19.490 15.483 45 2H5* G 7 2H5* G 7 19.231 -17.755 15.758 46 H4* G 7 H4* G 7 20.685 -17.935 13.336 47 H3* G 7 H3* G 7 21.594 -20.141 15.093 48 H2* G 7 H2* G 7 23.415 -19.080 15.973 49 2HO* G 7 2HO* G 7 23.889 -18.893 13.245 50 H1* G 7 H1* G 7 23.345 -16.725 14.583 51 H8 G 7 H8 G 7 21.509 -16.082 17.728 52 H1 G 7 H1 G 7 27.929 -15.382 18.025 53 1H2 G 7 1H2 G 7 27.685 -17.354 14.991 54 2H2 G 7 2H2 G 7 28.718 -16.512 16.122 55 1H5* CH 8 1H5* CH 8 23.826 -23.894 13.385 56 2H5* CH 8 2H5* CH 8 23.169 -22.712 14.540 57 H4* CH 8 H4* CH 8 26.035 -22.630 13.172 58 H3* CH 8 H3* CH 8 25.714 -23.417 16.274 59 H2* CH 8 H2* CH 8 28.089 -22.781 16.172 60 2HO* CH 8 2HO* CH 8 29.008 -22.193 14.088 61 H1* CH 8 H1* CH 8 27.782 -20.973 14.487 62 HN3 CH 8 HN3 CH 8 29.762 -19.036 17.906 63 1H4 CH 8 1H4 CH 8 27.393 -17.781 20.124 64 2H4 CH 8 2H4 CH 8 29.076 -17.709 19.793 65 H5 CH 8 H5 CH 8 25.718 -19.159 19.105 66 H6 CH 8 H6 CH 8 25.247 -20.493 17.051 67 1H5* G 9 1H5* G 9 24.121 -23.921 17.791 68 2H5* G 9 2H5* G 9 25.559 -24.876 18.221 69 H4* G 9 H4* G 9 22.607 -25.519 18.616 70 H3* G 9 H3* G 9 24.839 -24.605 20.304 71 H2* G 9 H2* G 9 25.002 -26.373 21.765 72 2HO* G 9 2HO* G 9 23.049 -26.503 22.654 73 H1* G 9 H1* G 9 24.154 -28.502 20.314 74 H8 G 9 H8 G 9 26.744 -25.638 19.913 75 H1 G 9 H1 G 9 29.120 -31.529 19.485 76 1H2 G 9 1H2 G 9 25.799 -32.565 19.707 77 2H2 G 9 2H2 G 9 27.481 -33.021 19.555 78 1H5* C 10 1H5* C 10 21.299 -23.532 24.478 79 2H5* C 10 2H5* C 10 21.044 -21.827 23.914 80 H4* C 10 H4* C 10 22.168 -22.026 26.230 81 H3* C 10 H3* C 10 23.985 -20.720 24.141 82 H2* C 10 H2* C 10 25.539 -20.411 25.774 83 2HO* C 10 2HO* C 10 23.362 -20.939 27.489 84 H1* C 10 H1* C 10 25.392 -23.103 26.565 85 1H4 C 10 1H4 C 10 28.873 -24.773 21.762 86 2H4 C 10 2H4 C 10 29.996 -23.807 22.713 87 H5 C 10 H5 C 10 26.587 -24.936 22.285 88 H6 C 10 H6 C 10 24.701 -24.026 23.512 89 1H5* C 11 1H5* C 11 23.823 -18.729 27.127 90 2H5* C 11 2H5* C 11 24.231 -17.117 27.732 91 H4* C 11 H4* C 11 26.229 -18.639 27.587 92 H3* C 11 H3* C 11 26.216 -16.180 25.810 93 H2* C 11 H2* C 11 28.214 -16.859 24.843 94 2HO* C 11 2HO* C 11 28.790 -17.448 27.431 95 H1* C 11 H1* C 11 27.922 -19.607 25.747 96 1H4 C 11 1H4 C 11 27.739 -21.104 19.667 97 2H4 C 11 2H4 C 11 29.389 -20.964 20.048 98 H5 C 11 H5 C 11 25.895 -20.250 21.123 99 H6 C 11 H6 C 11 25.596 -19.048 23.090 100 1H5* G 12 1H5* G 12 28.437 -12.205 26.654 101 2H5* G 12 2H5* G 12 27.772 -13.511 25.584 102 H4* G 12 H4* G 12 30.744 -13.294 26.485 103 H3* G 12 H3* G 12 29.875 -11.805 23.872 104 H2* G 12 H2* G 12 31.619 -12.658 22.833 105 2HO* G 12 2HO* G 12 33.468 -13.537 23.898 106 H1* G 12 H1* G 12 32.098 -14.861 24.078 107 H8 G 12 H8 G 12 28.665 -15.428 23.056 108 H1 G 12 H1 G 12 33.100 -17.390 19.041 109 1H2 G 12 1H2 G 12 35.378 -15.464 20.881 110 2H2 G 12 2H2 G 12 35.129 -16.572 19.538 111 1H5* A 13 1H5* A 13 32.911 -8.848 22.533 112 2H5* A 13 2H5* A 13 31.523 -9.567 21.712 113 H4* A 13 H4* A 13 32.790 -10.295 19.910 114 H3* A 13 H3* A 13 34.546 -11.368 21.935 115 H2* A 13 H2* A 13 36.060 -9.662 21.977 116 2HO* A 13 2HO* A 13 36.663 -11.119 19.602 117 H1* A 13 H1* A 13 35.540 -8.803 19.133 118 H8 A 13 H8 A 13 35.731 -7.589 22.835 119 1H6 A 13 1H6 A 13 38.135 -3.490 22.043 120 2H6 A 13 2H6 A 13 38.768 -2.730 20.600 121 H2 A 13 H2 A 13 37.727 -5.418 17.152 122 1H5* C 14 1H5* C 14 35.457 -13.966 19.076 123 2H5* C 14 2H5* C 14 36.909 -14.124 18.164 124 H4* C 14 H4* C 14 36.048 -15.683 16.870 125 H3* C 14 H3* C 14 34.304 -13.386 16.101 126 H2* C 14 H2* C 14 32.533 -14.839 15.304 127 2HO* C 14 2HO* C 14 32.975 -16.925 14.764 128 H1* C 14 H1* C 14 32.715 -16.807 16.964 129 1H4 C 14 1H4 C 14 29.110 -13.335 20.933 130 2H4 C 14 2H4 C 14 28.044 -14.198 19.843 131 H5 C 14 H5 C 14 31.508 -13.267 20.526 132 H6 C 14 H6 C 14 33.259 -13.968 19.049 133 1H5* C 15 1H5* C 15 34.216 -15.288 11.579 134 2H5* C 15 2H5* C 15 34.342 -13.685 10.860 135 H4* C 15 H4* C 15 32.406 -15.218 10.127 136 H3* C 15 H3* C 15 31.761 -12.360 10.936 137 H2* C 15 H2* C 15 29.645 -12.837 10.159 138 2HO* C 15 2HO* C 15 29.318 -14.605 9.028 139 H1* C 15 H1* C 15 29.305 -15.264 11.304 140 1H4 C 15 1H4 C 15 28.768 -12.472 17.085 141 2H4 C 15 2H4 C 15 27.129 -12.826 16.614 142 H5 C 15 H5 C 15 30.565 -12.658 15.803 143 H6 C 15 H6 C 15 31.518 -13.223 13.635 144 1H5* A 16 1H5* A 16 29.171 -12.942 6.949 145 2H5* A 16 2H5* A 16 29.609 -11.364 6.401 146 H4* A 16 H4* A 16 27.193 -11.819 6.247 147 H3* A 16 H3* A 16 27.851 -9.440 8.014 148 H2* A 16 H2* A 16 25.407 -9.451 8.680 149 2HO* A 16 2HO* A 16 23.929 -10.620 7.384 150 H1* A 16 H1* A 16 24.895 -11.854 8.688 151 H8 A 16 H8 A 16 28.268 -11.135 10.346 152 1H6 A 16 1H6 A 16 26.725 -11.161 14.734 153 2H6 A 16 2H6 A 16 25.157 -10.968 15.519 154 H2 A 16 H2 A 16 22.188 -10.500 12.230 155 1H5* C 17 1H5* C 17 24.972 -7.694 5.747 156 2H5* C 17 2H5* C 17 25.047 -5.951 5.958 157 H4* C 17 H4* C 17 23.191 -7.332 7.203 158 H3* C 17 H3* C 17 24.923 -5.280 8.592 159 H2* C 17 H2* C 17 23.659 -5.556 10.526 160 2HO* C 17 2HO* C 17 21.755 -6.607 8.722 161 H1* C 17 H1* C 17 23.146 -8.145 10.226 162 1H4 C 17 1H4 C 17 27.857 -8.503 14.554 163 2H4 C 17 2H4 C 17 26.408 -8.023 15.361 164 H5 C 17 H5 C 17 28.071 -8.408 11.878 165 H6 C 17 H6 C 17 26.700 -8.183 9.932 166 1H5* U 18 1H5* U 18 21.111 -0.805 8.785 167 2H5* U 18 2H5* U 18 22.863 -0.872 8.952 168 H4* U 18 H4* U 18 20.767 -2.155 10.748 169 H3* U 18 H3* U 18 22.094 0.422 11.013 170 H2* U 18 H2* U 18 23.655 -0.377 12.782 171 2HO* U 18 2HO* U 18 22.153 -1.448 14.469 172 H1* U 18 H1* U 18 21.950 -2.608 13.124 173 H3 U 18 H3 U 18 24.841 -3.956 16.121 174 H5 U 18 H5 U 18 26.582 -4.501 12.324 175 H6 U 18 H6 U 18 24.978 -3.018 11.451 176 1H5* U 19 1H5* U 19 17.742 -2.585 11.748 177 2H5* U 19 2H5* U 19 16.628 -1.421 11.068 178 H4* U 19 H4* U 19 15.478 -2.635 12.982 179 H3* U 19 H3* U 19 15.313 0.178 13.286 180 H2* U 19 H2* U 19 17.616 0.211 14.493 181 2HO* U 19 2HO* U 19 15.583 1.305 15.452 182 H1* U 19 H1* U 19 16.203 -1.850 16.133 183 H3 U 19 H3 U 19 19.313 -2.203 19.334 184 H5 U 19 H5 U 19 21.538 -0.836 16.018 185 H6 U 19 H6 U 19 19.552 -0.800 14.759 186 1H5* A 20 1H5* A 20 13.793 -1.402 10.894 187 2H5* A 20 2H5* A 20 12.222 -2.180 11.169 188 H4* A 20 H4* A 20 13.638 -3.236 9.302 189 H3* A 20 H3* A 20 12.748 -4.857 11.731 190 H2* A 20 H2* A 20 13.769 -6.719 11.087 191 2HO* A 20 2HO* A 20 14.068 -7.263 9.025 192 H1* A 20 H1* A 20 15.952 -5.544 9.784 193 H8 A 20 H8 A 20 14.317 -6.261 13.169 194 1H6 A 20 1H6 A 20 18.211 -6.278 15.976 195 2H6 A 20 2H6 A 20 19.898 -5.915 15.699 196 H2 A 20 H2 A 20 20.296 -4.916 11.331 197 1H5* A 21 1H5* A 21 10.283 -8.675 10.828 198 2H5* A 21 2H5* A 21 11.719 -8.029 11.651 199 H4* A 21 H4* A 21 11.798 -10.127 9.396 200 H3* A 21 H3* A 21 11.448 -10.428 12.316 201 H2* A 21 H2* A 21 13.534 -11.149 12.845 202 2HO* A 21 2HO* A 21 13.312 -12.691 10.503 203 H1* A 21 H1* A 21 14.794 -11.178 10.341 204 H8 A 21 H8 A 21 15.093 -9.933 13.808 205 1H6 A 21 1H6 A 21 19.307 -7.750 13.526 206 2H6 A 21 2H6 A 21 20.296 -7.196 12.194 207 H2 A 21 H2 A 21 18.189 -8.334 8.444 208 1H5* A 22 1H5* A 22 12.708 -13.754 7.432 209 2H5* A 22 2H5* A 22 13.971 -14.190 8.574 210 H4* A 22 H4* A 22 14.057 -11.819 6.616 211 H3* A 22 H3* A 22 15.375 -14.532 6.817 212 H2* A 22 H2* A 22 17.434 -13.759 6.948 213 2HO* A 22 2HO* A 22 18.172 -12.137 5.436 214 H1* A 22 H1* A 22 16.844 -10.902 6.944 215 H8 A 22 H8 A 22 16.906 -12.994 10.142 216 1H6 A 22 1H6 A 22 22.871 -11.759 10.513 217 2H6 A 22 2H6 A 22 21.525 -12.597 11.251 218 H2 A 22 H2 A 22 21.476 -9.955 6.867 219 1H5* A 23 1H5* A 23 17.803 -13.170 3.622 220 2H5* A 23 2H5* A 23 17.418 -14.343 2.347 221 H4* A 23 H4* A 23 19.693 -14.515 2.330 222 H3* A 23 H3* A 23 19.017 -16.348 4.708 223 H2* A 23 H2* A 23 21.551 -16.963 4.604 224 2HO* A 23 2HO* A 23 21.660 -16.917 2.384 225 H1* A 23 H1* A 23 22.212 -14.268 4.247 226 H8 A 23 H8 A 23 19.431 -14.678 6.928 227 1H6 A 23 1H6 A 23 22.367 -13.971 10.796 228 2H6 A 23 2H6 A 23 24.099 -13.798 10.905 229 H2 A 23 H2 A 23 25.777 -14.150 6.775 230 1H5* A 24 1H5* A 24 21.707 -20.503 2.791 231 2H5* A 24 2H5* A 24 20.411 -21.159 3.802 232 H4* A 24 H4* A 24 22.922 -21.332 4.671 233 H3* A 24 H3* A 24 20.549 -21.041 6.365 234 H2* A 24 H2* A 24 21.745 -20.000 7.894 235 2HO* A 24 2HO* A 24 22.430 -22.193 8.339 236 H1* A 24 H1* A 24 24.347 -20.159 6.410 237 H8 A 24 H8 A 24 21.892 -17.875 8.442 238 1H6 A 24 1H6 A 24 27.002 -14.916 10.089 239 2H6 A 24 2H6 A 24 25.312 -15.180 10.456 240 H2 A 24 H2 A 24 27.941 -17.382 6.492 241 1H5* C 25 1H5* C 25 19.605 -24.278 9.063 242 2H5* C 25 2H5* C 25 19.411 -22.709 9.819 243 H4* C 25 H4* C 25 21.887 -23.111 10.647 244 H3* C 25 H3* C 25 21.033 -25.927 10.245 245 H2* C 25 H2* C 25 21.936 -26.423 12.276 246 2HO* C 25 2HO* C 25 23.864 -25.019 11.493 247 H1* C 25 H1* C 25 21.630 -23.925 13.538 248 1H4 C 25 1H4 C 25 18.138 -27.965 16.970 249 2H4 C 25 2H4 C 25 16.986 -28.131 15.663 250 H5 C 25 H5 C 25 17.279 -27.076 13.497 251 H6 C 25 H6 C 25 18.748 -25.697 12.159 252 1H5* A 26 1H5* A 26 26.764 -25.166 10.587 253 2H5* A 26 2H5* A 26 25.508 -23.940 10.521 254 H4* A 26 H4* A 26 27.282 -24.256 8.121 255 H3* A 26 H3* A 26 28.214 -23.334 10.816 256 H2* A 26 H2* A 26 29.062 -21.344 10.071 257 2HO* A 26 2HO* A 26 30.428 -21.873 8.499 258 H1* A 26 H1* A 26 27.397 -20.791 7.937 259 H8 A 26 H8 A 26 25.161 -21.440 10.841 260 1H6 A 26 1H6 A 26 27.055 -16.135 13.382 261 2H6 A 26 2H6 A 26 25.940 -17.473 13.542 262 H2 A 26 H2 A 26 29.612 -16.959 9.788 263 1H5* C 27 1H5* C 27 32.234 -23.237 8.894 264 2H5* C 27 2H5* C 27 33.251 -24.392 9.778 265 H4* C 27 H4* C 27 34.473 -22.274 9.747 266 H3* C 27 H3* C 27 33.039 -22.178 12.366 267 H2* C 27 H2* C 27 34.489 -20.303 12.791 268 2HO* C 27 2HO* C 27 36.403 -20.880 11.991 269 H1* C 27 H1* C 27 34.148 -19.354 10.170 270 1H4 C 27 1H4 C 27 29.456 -16.704 13.994 271 2H4 C 27 2H4 C 27 30.753 -15.537 13.869 272 H5 C 27 H5 C 27 29.661 -18.878 13.290 273 H6 C 27 H6 C 27 30.826 -20.426 11.649 274 1H5* C 28 1H5* C 28 38.155 -21.399 12.833 275 2H5* C 28 2H5* C 28 38.157 -22.572 14.160 276 H4* C 28 H4* C 28 39.363 -20.243 14.442 277 H3* C 28 H3* C 28 37.717 -21.778 16.389 278 H2* C 28 H2* C 28 37.568 -20.104 17.953 279 2HO* C 28 2HO* C 28 39.428 -19.242 18.417 280 H1* C 28 H1* C 28 37.484 -17.827 16.315 281 1H4 C 28 1H4 C 28 31.504 -20.471 17.271 282 2H4 C 28 2H4 C 28 31.649 -19.183 18.445 283 H5 C 28 H5 C 28 33.216 -21.245 16.005 284 H6 C 28 H6 C 28 35.405 -20.606 14.868 285 1H5* G 29 1H5* G 29 40.308 -20.790 18.427 286 2H5* G 29 2H5* G 29 41.223 -21.470 19.785 287 H4* G 29 H4* G 29 39.363 -19.882 20.410 288 H3* G 29 H3* G 29 38.798 -22.718 21.355 289 H2* G 29 H2* G 29 36.768 -22.032 22.132 290 2HO* G 29 2HO* G 29 36.411 -19.871 22.842 291 H1* G 29 H1* G 29 36.708 -19.583 20.579 292 H8 G 29 H8 G 29 35.872 -22.141 17.969 293 H1 G 29 H1 G 29 30.724 -20.370 21.405 294 1H2 G 29 1H2 G 29 33.265 -19.305 23.823 295 2H2 G 29 2H2 G 29 31.560 -19.421 23.455 296 1H5* G 30 1H5* G 30 38.995 -18.617 24.705 297 2H5* G 30 2H5* G 30 39.606 -19.684 25.987 298 H4* G 30 H4* G 30 37.742 -17.960 26.544 299 H3* G 30 H3* G 30 37.617 -20.893 27.219 300 H2* G 30 H2* G 30 35.438 -20.647 28.156 301 2HO* G 30 2HO* G 30 34.547 -18.487 28.360 302 H1* G 30 H1* G 30 34.486 -18.848 26.332 303 H8 G 30 H8 G 30 36.347 -21.480 24.222 304 H1 G 30 H1 G 30 30.029 -22.257 24.601 305 1H2 G 30 1H2 G 30 30.199 -20.024 27.302 306 2H2 G 30 2H2 G 30 29.197 -21.020 26.267 Start of MODEL 7 1 1H5* A 3 1H5* A 3 23.785 -3.329 20.931 2 2H5* A 3 2H5* A 3 23.291 -1.677 21.409 3 H4* A 3 H4* A 3 22.037 -3.158 22.798 4 H3* A 3 H3* A 3 23.804 -2.415 24.822 5 H2* A 3 H2* A 3 25.689 -3.550 23.931 6 2HO* A 3 2HO* A 3 24.469 -4.741 26.019 7 H1* A 3 H1* A 3 24.188 -5.897 23.507 8 H8 A 3 H8 A 3 27.135 -6.240 23.174 9 1H6 A 3 1H6 A 3 28.467 -6.658 18.429 10 2H6 A 3 2H6 A 3 27.743 -5.983 16.955 11 H2 A 3 H2 A 3 24.129 -3.685 18.215 12 1H5* G 4 1H5* G 4 20.582 -4.491 23.764 13 2H5* G 4 2H5* G 4 19.265 -5.514 24.175 14 H4* G 4 H4* G 4 19.327 -4.923 21.755 15 H3* G 4 H3* G 4 20.515 -7.880 21.613 16 H2* G 4 H2* G 4 20.394 -7.608 19.231 17 2HO* G 4 2HO* G 4 19.384 -5.823 18.309 18 H1* G 4 H1* G 4 21.362 -5.100 19.278 19 H8 G 4 H8 G 4 23.580 -6.721 21.567 20 H1 G 4 H1 G 4 24.735 -7.506 15.335 21 1H2 G 4 1H2 G 4 21.249 -6.531 15.265 22 2H2 G 4 2H2 G 4 22.653 -6.980 14.338 23 1H5* U 5 1H5* U 5 16.227 -8.982 19.830 24 2H5* U 5 2H5* U 5 16.089 -10.696 20.096 25 H4* U 5 H4* U 5 15.926 -9.736 17.642 26 H3* U 5 H3* U 5 18.098 -11.938 17.907 27 H2* U 5 H2* U 5 18.309 -11.759 15.584 28 2HO* U 5 2HO* U 5 15.995 -10.091 15.780 29 H1* U 5 H1* U 5 18.568 -9.177 15.549 30 H3 U 5 H3 U 5 22.696 -10.599 15.089 31 H5 U 5 H5 U 5 22.209 -9.693 19.154 32 H6 U 5 H6 U 5 19.753 -9.660 18.770 33 1H5* G 6 1H5* G 6 16.110 -13.183 15.325 34 2H5* G 6 2H5* G 6 15.327 -14.740 15.022 35 H4* G 6 H4* G 6 16.861 -14.395 13.309 36 H3* G 6 H3* G 6 18.139 -16.201 15.348 37 H2* G 6 H2* G 6 19.970 -16.400 13.808 38 2HO* G 6 2HO* G 6 18.017 -15.543 12.010 39 H1* G 6 H1* G 6 19.937 -13.848 13.042 40 H8 G 6 H8 G 6 19.813 -13.686 16.825 41 H1 G 6 H1 G 6 25.689 -13.875 14.288 42 1H2 G 6 1H2 G 6 24.020 -15.110 11.426 43 2H2 G 6 2H2 G 6 25.540 -14.661 12.174 44 1H5* G 7 1H5* G 7 19.092 -20.008 15.741 45 2H5* G 7 2H5* G 7 18.688 -18.285 15.863 46 H4* G 7 H4* G 7 20.155 -18.566 13.466 47 H3* G 7 H3* G 7 21.170 -20.611 15.352 48 H2* G 7 H2* G 7 22.977 -19.494 16.049 49 2HO* G 7 2HO* G 7 23.346 -19.448 13.277 50 H1* G 7 H1* G 7 22.808 -17.191 14.525 51 H8 G 7 H8 G 7 21.006 -16.486 17.674 52 H1 G 7 H1 G 7 27.372 -15.436 17.856 53 1H2 G 7 1H2 G 7 27.264 -17.576 14.949 54 2H2 G 7 2H2 G 7 28.247 -16.614 16.025 55 1H5* CH 8 1H5* CH 8 23.749 -24.022 13.536 56 2H5* CH 8 2H5* CH 8 23.740 -23.647 15.292 57 H4* CH 8 H4* CH 8 26.084 -23.246 13.305 58 H3* CH 8 H3* CH 8 25.724 -23.945 16.407 59 H2* CH 8 H2* CH 8 28.077 -23.297 16.545 60 2HO* CH 8 2HO* CH 8 29.226 -22.763 14.443 61 H1* CH 8 H1* CH 8 28.013 -21.497 14.719 62 HN3 CH 8 HN3 CH 8 29.558 -19.113 18.070 63 1H4 CH 8 1H4 CH 8 26.927 -17.983 20.057 64 2H4 CH 8 2H4 CH 8 28.611 -17.739 19.805 65 H5 CH 8 H5 CH 8 25.489 -19.644 19.062 66 H6 CH 8 H6 CH 8 25.299 -21.174 17.121 67 1H5* G 9 1H5* G 9 23.113 -26.835 17.355 68 2H5* G 9 2H5* G 9 22.466 -25.766 16.084 69 H4* G 9 H4* G 9 22.507 -23.896 17.683 70 H3* G 9 H3* G 9 24.547 -25.342 18.946 71 H2* G 9 H2* G 9 23.064 -26.819 19.878 72 2HO* G 9 2HO* G 9 23.275 -24.698 21.796 73 H1* G 9 H1* G 9 21.193 -24.524 20.418 74 H8 G 9 H8 G 9 18.801 -26.406 19.387 75 H1 G 9 H1 G 9 21.023 -29.851 24.273 76 1H2 G 9 1H2 G 9 23.081 -29.196 24.784 77 2H2 G 9 2H2 G 9 23.900 -27.914 23.922 78 1H5* C 10 1H5* C 10 21.355 -22.633 22.061 79 2H5* C 10 2H5* C 10 21.322 -20.821 22.202 80 H4* C 10 H4* C 10 22.062 -21.958 24.372 81 H3* C 10 H3* C 10 24.258 -20.215 23.076 82 H2* C 10 H2* C 10 25.620 -20.650 24.787 83 2HO* C 10 2HO* C 10 23.297 -21.790 25.986 84 H1* C 10 H1* C 10 25.327 -23.281 24.630 85 1H4 C 10 1H4 C 10 28.713 -23.309 19.195 86 2H4 C 10 2H4 C 10 29.915 -22.986 20.441 87 H5 C 10 H5 C 10 26.314 -23.168 19.589 88 H6 C 10 H6 C 10 24.628 -22.991 21.204 89 1H5* C 11 1H5* C 11 23.496 -18.066 26.299 90 2H5* C 11 2H5* C 11 23.395 -16.313 26.463 91 H4* C 11 H4* C 11 25.571 -17.204 27.302 92 H3* C 11 H3* C 11 25.777 -15.503 24.792 93 H2* C 11 H2* C 11 28.146 -15.709 24.975 94 2HO* C 11 2HO* C 11 29.103 -16.549 26.873 95 H1* C 11 H1* C 11 28.045 -18.353 25.925 96 1H4 C 11 1H4 C 11 28.633 -20.353 20.027 97 2H4 C 11 2H4 C 11 30.206 -20.119 20.626 98 H5 C 11 H5 C 11 26.577 -19.495 21.135 99 H6 C 11 H6 C 11 25.888 -18.221 22.992 100 1H5* G 12 1H5* G 12 27.876 -13.129 27.039 101 2H5* G 12 2H5* G 12 27.832 -11.370 26.728 102 H4* G 12 H4* G 12 30.031 -12.467 26.085 103 H3* G 12 H3* G 12 28.513 -11.657 23.518 104 H2* G 12 H2* G 12 30.383 -12.246 22.473 105 2HO* G 12 2HO* G 12 32.338 -12.894 23.606 106 H1* G 12 H1* G 12 31.129 -14.196 23.957 107 H8 G 12 H8 G 12 27.774 -15.288 22.847 108 H1 G 12 H1 G 12 32.669 -17.001 19.211 109 1H2 G 12 1H2 G 12 34.553 -14.656 21.039 110 2H2 G 12 2H2 G 12 34.541 -15.883 19.781 111 1H5* A 13 1H5* A 13 33.269 -10.544 22.231 112 2H5* A 13 2H5* A 13 32.786 -8.834 22.255 113 H4* A 13 H4* A 13 32.582 -10.632 19.781 114 H3* A 13 H3* A 13 34.954 -9.346 20.777 115 H2* A 13 H2* A 13 34.698 -7.328 19.829 116 2HO* A 13 2HO* A 13 34.912 -7.465 17.404 117 H1* A 13 H1* A 13 32.778 -8.256 17.734 118 H8 A 13 H8 A 13 31.689 -6.183 20.719 119 1H6 A 13 1H6 A 13 32.138 -1.224 17.108 120 2H6 A 13 2H6 A 13 31.619 -1.825 18.667 121 H2 A 13 H2 A 13 33.851 -4.730 14.871 122 1H5* C 14 1H5* C 14 34.825 -13.537 18.775 123 2H5* C 14 2H5* C 14 36.316 -13.741 17.913 124 H4* C 14 H4* C 14 35.507 -15.528 16.898 125 H3* C 14 H3* C 14 33.944 -13.399 15.609 126 H2* C 14 H2* C 14 31.965 -14.683 15.316 127 2HO* C 14 2HO* C 14 33.719 -16.578 14.740 128 H1* C 14 H1* C 14 32.265 -16.657 17.083 129 1H4 C 14 1H4 C 14 28.428 -13.168 20.693 130 2H4 C 14 2H4 C 14 27.410 -14.132 19.655 131 H5 C 14 H5 C 14 30.850 -12.987 20.278 132 H6 C 14 H6 C 14 32.630 -13.674 18.809 133 1H5* C 15 1H5* C 15 34.554 -14.212 10.781 134 2H5* C 15 2H5* C 15 33.823 -12.612 10.733 135 H4* C 15 H4* C 15 32.670 -15.081 9.969 136 H3* C 15 H3* C 15 31.280 -12.451 10.542 137 H2* C 15 H2* C 15 29.353 -13.534 9.823 138 2HO* C 15 2HO* C 15 29.498 -15.220 8.678 139 H1* C 15 H1* C 15 29.720 -15.829 11.345 140 1H4 C 15 1H4 C 15 28.282 -12.600 16.785 141 2H4 C 15 2H4 C 15 26.707 -13.045 16.185 142 H5 C 15 H5 C 15 30.186 -12.795 15.719 143 H6 C 15 H6 C 15 31.368 -13.382 13.642 144 1H5* A 16 1H5* A 16 29.306 -13.338 6.841 145 2H5* A 16 2H5* A 16 28.920 -11.804 6.240 146 H4* A 16 H4* A 16 26.955 -13.363 6.667 147 H3* A 16 H3* A 16 27.119 -10.543 7.650 148 H2* A 16 H2* A 16 24.984 -10.982 9.048 149 2HO* A 16 2HO* A 16 24.626 -12.922 6.947 150 H1* A 16 H1* A 16 25.245 -13.479 9.353 151 H8 A 16 H8 A 16 28.346 -11.895 10.884 152 1H6 A 16 1H6 A 16 26.697 -10.887 15.156 153 2H6 A 16 2H6 A 16 25.091 -10.618 15.846 154 H2 A 16 H2 A 16 22.196 -11.306 12.498 155 1H5* C 17 1H5* C 17 23.442 -7.680 5.838 156 2H5* C 17 2H5* C 17 25.113 -7.503 6.423 157 H4* C 17 H4* C 17 22.589 -8.262 7.977 158 H3* C 17 H3* C 17 24.423 -5.859 8.375 159 H2* C 17 H2* C 17 23.582 -5.767 10.531 160 2HO* C 17 2HO* C 17 21.372 -6.943 9.317 161 H1* C 17 H1* C 17 23.051 -8.474 10.702 162 1H4 C 17 1H4 C 17 28.201 -8.529 14.484 163 2H4 C 17 2H4 C 17 26.837 -8.075 15.439 164 H5 C 17 H5 C 17 28.126 -8.510 11.831 165 H6 C 17 H6 C 17 26.575 -8.359 10.038 166 1H5* U 18 1H5* U 18 21.569 -1.507 9.176 167 2H5* U 18 2H5* U 18 23.256 -2.021 9.028 168 H4* U 18 H4* U 18 21.372 -3.126 11.127 169 H3* U 18 H3* U 18 22.577 -0.480 11.236 170 H2* U 18 H2* U 18 24.200 -1.220 13.006 171 2HO* U 18 2HO* U 18 22.807 -2.330 14.764 172 H1* U 18 H1* U 18 22.622 -3.523 13.339 173 H3 U 18 H3 U 18 25.814 -4.580 16.283 174 H5 U 18 H5 U 18 27.356 -5.147 12.422 175 H6 U 18 H6 U 18 25.625 -3.816 11.583 176 1H5* U 19 1H5* U 19 18.858 -1.743 11.557 177 2H5* U 19 2H5* U 19 17.392 -0.779 11.230 178 H4* U 19 H4* U 19 16.875 -2.300 13.121 179 H3* U 19 H3* U 19 16.360 0.470 13.485 180 H2* U 19 H2* U 19 18.760 0.704 14.597 181 2HO* U 19 2HO* U 19 16.664 0.463 16.576 182 H1* U 19 H1* U 19 17.596 -1.523 16.187 183 H3 U 19 H3 U 19 20.805 -1.445 19.377 184 H5 U 19 H5 U 19 22.896 -0.404 15.842 185 H6 U 19 H6 U 19 20.850 -0.470 14.707 186 1H5* A 20 1H5* A 20 14.742 -0.840 11.958 187 2H5* A 20 2H5* A 20 12.999 -0.961 11.683 188 H4* A 20 H4* A 20 14.007 -2.573 10.215 189 H3* A 20 H3* A 20 12.972 -3.952 12.740 190 H2* A 20 H2* A 20 13.637 -6.011 11.996 191 2HO* A 20 2HO* A 20 13.675 -6.533 9.934 192 H1* A 20 H1* A 20 15.917 -5.136 10.601 193 H8 A 20 H8 A 20 14.354 -5.721 14.056 194 1H6 A 20 1H6 A 20 18.345 -6.202 16.710 195 2H6 A 20 2H6 A 20 20.047 -6.003 16.367 196 H2 A 20 H2 A 20 20.354 -4.868 12.009 197 1H5* A 21 1H5* A 21 10.443 -7.663 11.691 198 2H5* A 21 2H5* A 21 11.759 -6.959 12.648 199 H4* A 21 H4* A 21 12.130 -9.146 10.494 200 H3* A 21 H3* A 21 11.545 -9.317 13.423 201 H2* A 21 H2* A 21 13.681 -9.891 14.093 202 2HO* A 21 2HO* A 21 13.674 -11.715 11.945 203 H1* A 21 H1* A 21 14.905 -10.229 11.561 204 H8 A 21 H8 A 21 14.903 -8.210 14.819 205 1H6 A 21 1H6 A 21 20.951 -7.680 13.640 206 2H6 A 21 2H6 A 21 19.744 -7.629 14.906 207 H2 A 21 H2 A 21 18.822 -8.837 9.849 208 1H5* A 22 1H5* A 22 12.868 -13.636 9.402 209 2H5* A 22 2H5* A 22 14.363 -13.675 10.325 210 H4* A 22 H4* A 22 13.810 -11.846 7.912 211 H3* A 22 H3* A 22 15.358 -14.396 8.431 212 H2* A 22 H2* A 22 17.349 -13.578 7.884 213 2HO* A 22 2HO* A 22 17.335 -13.529 5.769 214 H1* A 22 H1* A 22 16.560 -10.817 7.380 215 H8 A 22 H8 A 22 17.360 -11.868 10.915 216 1H6 A 22 1H6 A 22 22.139 -10.750 10.813 217 2H6 A 22 2H6 A 22 23.173 -10.212 9.519 218 H2 A 22 H2 A 22 20.877 -10.055 5.911 219 1H5* A 23 1H5* A 23 16.542 -14.564 4.396 220 2H5* A 23 2H5* A 23 15.956 -16.114 3.767 221 H4* A 23 H4* A 23 18.304 -16.098 3.352 222 H3* A 23 H3* A 23 18.011 -17.513 6.086 223 H2* A 23 H2* A 23 20.554 -17.998 5.814 224 2HO* A 23 2HO* A 23 20.728 -18.306 3.736 225 H1* A 23 H1* A 23 21.043 -15.376 5.070 226 H8 A 23 H8 A 23 18.292 -15.566 7.822 227 1H6 A 23 1H6 A 23 21.198 -14.249 11.492 228 2H6 A 23 2H6 A 23 22.920 -13.982 11.578 229 H2 A 23 H2 A 23 24.600 -14.675 7.493 230 1H5* A 24 1H5* A 24 21.134 -21.443 3.885 231 2H5* A 24 2H5* A 24 20.095 -22.267 5.065 232 H4* A 24 H4* A 24 22.642 -22.341 5.639 233 H3* A 24 H3* A 24 20.554 -21.865 7.582 234 H2* A 24 H2* A 24 21.918 -20.628 8.835 235 2HO* A 24 2HO* A 24 22.974 -22.111 9.889 236 H1* A 24 H1* A 24 24.320 -20.964 7.055 237 H8 A 24 H8 A 24 22.083 -18.447 9.053 238 1H6 A 24 1H6 A 24 27.352 -15.459 9.933 239 2H6 A 24 2H6 A 24 25.703 -15.657 10.477 240 H2 A 24 H2 A 24 27.944 -18.222 6.522 241 1H5* C 25 1H5* C 25 20.069 -25.784 9.441 242 2H5* C 25 2H5* C 25 20.630 -24.190 9.011 243 H4* C 25 H4* C 25 21.934 -25.478 10.748 244 H3* C 25 H3* C 25 23.001 -23.668 8.935 245 H2* C 25 H2* C 25 23.715 -25.026 7.357 246 2HO* C 25 2HO* C 25 26.021 -25.531 7.750 247 H1* C 25 H1* C 25 24.788 -27.094 9.261 248 1H4 C 25 1H4 C 25 24.951 -30.541 3.987 249 2H4 C 25 2H4 C 25 23.257 -30.229 3.680 250 H5 C 25 H5 C 25 21.882 -28.966 5.231 251 H6 C 25 H6 C 25 22.002 -27.109 6.876 252 1H5* A 26 1H5* A 26 28.229 -25.790 11.242 253 2H5* A 26 2H5* A 26 27.524 -24.247 11.634 254 H4* A 26 H4* A 26 28.849 -25.075 9.045 255 H3* A 26 H3* A 26 29.608 -23.408 11.379 256 H2* A 26 H2* A 26 30.152 -21.505 10.233 257 2HO* A 26 2HO* A 26 31.638 -22.304 8.815 258 H1* A 26 H1* A 26 28.450 -21.583 8.090 259 H8 A 26 H8 A 26 26.164 -22.269 10.869 260 1H6 A 26 1H6 A 26 27.203 -16.560 13.063 261 2H6 A 26 2H6 A 26 26.259 -18.009 13.306 262 H2 A 26 H2 A 26 30.088 -17.375 9.702 263 1H5* C 27 1H5* C 27 33.635 -23.422 9.631 264 2H5* C 27 2H5* C 27 34.707 -24.365 10.687 265 H4* C 27 H4* C 27 35.814 -22.244 10.391 266 H3* C 27 H3* C 27 34.219 -21.753 12.847 267 H2* C 27 H2* C 27 35.531 -19.772 13.020 268 2HO* C 27 2HO* C 27 37.493 -19.948 12.313 269 H1* C 27 H1* C 27 35.229 -19.238 10.304 270 1H4 C 27 1H4 C 27 31.267 -15.494 13.484 271 2H4 C 27 2H4 C 27 30.144 -16.805 13.764 272 H5 C 27 H5 C 27 30.617 -18.978 13.291 273 H6 C 27 H6 C 27 31.972 -20.535 11.783 274 1H5* C 28 1H5* C 28 38.529 -20.628 13.808 275 2H5* C 28 2H5* C 28 38.839 -21.735 15.158 276 H4* C 28 H4* C 28 39.658 -19.321 15.446 277 H3* C 28 H3* C 28 38.002 -20.891 17.345 278 H2* C 28 H2* C 28 37.444 -19.146 18.732 279 2HO* C 28 2HO* C 28 39.439 -18.340 19.197 280 H1* C 28 H1* C 28 37.283 -17.024 16.930 281 1H4 C 28 1H4 C 28 31.593 -20.336 17.534 282 2H4 C 28 2H4 C 28 31.491 -18.979 18.636 283 H5 C 28 H5 C 28 33.505 -20.989 16.465 284 H6 C 28 H6 C 28 35.688 -20.118 15.445 285 1H5* G 29 1H5* G 29 40.865 -19.701 19.839 286 2H5* G 29 2H5* G 29 41.687 -20.740 21.015 287 H4* G 29 H4* G 29 40.231 -18.973 22.034 288 H3* G 29 H3* G 29 39.019 -21.733 22.456 289 H2* G 29 H2* G 29 37.387 -20.675 23.784 290 2HO* G 29 2HO* G 29 39.382 -18.819 24.117 291 H1* G 29 H1* G 29 37.174 -18.399 22.130 292 H8 G 29 H8 G 29 36.941 -21.130 19.542 293 H1 G 29 H1 G 29 31.309 -19.374 22.106 294 1H2 G 29 1H2 G 29 33.441 -18.032 24.769 295 2H2 G 29 2H2 G 29 31.811 -18.246 24.169 296 1H5* G 30 1H5* G 30 39.379 -20.289 25.898 297 2H5* G 30 2H5* G 30 39.446 -21.203 27.417 298 H4* G 30 H4* G 30 37.268 -20.028 26.881 299 H3* G 30 H3* G 30 37.280 -23.032 27.222 300 H2* G 30 H2* G 30 35.037 -23.133 26.640 301 2HO* G 30 2HO* G 30 34.947 -21.042 28.342 302 H1* G 30 H1* G 30 35.012 -20.424 25.555 303 H8 G 30 H8 G 30 36.446 -22.269 22.590 304 H1 G 30 H1 G 30 30.066 -22.411 22.846 305 1H2 G 30 1H2 G 30 30.400 -21.604 26.235 306 2H2 G 30 2H2 G 30 29.331 -21.939 24.891 Start of MODEL 8 1 1H5* A 3 1H5* A 3 25.705 -5.022 26.729 2 2H5* A 3 2H5* A 3 24.145 -4.774 27.475 3 H4* A 3 H4* A 3 23.855 -3.407 25.774 4 H3* A 3 H3* A 3 23.162 -6.009 24.245 5 H2* A 3 H2* A 3 22.615 -4.681 22.386 6 2HO* A 3 2HO* A 3 22.290 -2.509 22.467 7 H1* A 3 H1* A 3 25.038 -3.118 22.670 8 H8 A 3 H8 A 3 26.360 -6.225 23.088 9 1H6 A 3 1H6 A 3 27.550 -6.861 18.408 10 2H6 A 3 2H6 A 3 26.909 -6.163 16.909 11 H2 A 3 H2 A 3 23.614 -3.365 18.128 12 1H5* G 4 1H5* G 4 20.260 -4.705 23.439 13 2H5* G 4 2H5* G 4 18.633 -5.361 23.674 14 H4* G 4 H4* G 4 18.915 -4.934 21.375 15 H3* G 4 H3* G 4 19.964 -7.928 21.272 16 H2* G 4 H2* G 4 19.930 -7.600 18.857 17 2HO* G 4 2HO* G 4 19.128 -5.665 18.006 18 H1* G 4 H1* G 4 21.078 -5.165 19.051 19 H8 G 4 H8 G 4 23.097 -7.016 21.446 20 H1 G 4 H1 G 4 24.470 -7.713 15.187 21 1H2 G 4 1H2 G 4 21.075 -6.478 15.036 22 2H2 G 4 2H2 G 4 22.472 -7.011 14.144 23 1H5* U 5 1H5* U 5 15.759 -9.089 19.485 24 2H5* U 5 2H5* U 5 15.692 -10.814 19.611 25 H4* U 5 H4* U 5 15.754 -9.568 17.232 26 H3* U 5 H3* U 5 17.825 -11.868 17.474 27 H2* U 5 H2* U 5 18.141 -11.527 15.184 28 2HO* U 5 2HO* U 5 16.920 -10.157 13.963 29 H1* U 5 H1* U 5 18.538 -8.940 15.403 30 H3 U 5 H3 U 5 22.601 -10.477 14.938 31 H5 U 5 H5 U 5 21.967 -9.891 19.090 32 H6 U 5 H6 U 5 19.562 -9.757 18.622 33 1H5* G 6 1H5* G 6 15.804 -12.953 14.770 34 2H5* G 6 2H5* G 6 15.175 -14.575 14.400 35 H4* G 6 H4* G 6 16.824 -13.890 12.766 36 H3* G 6 H3* G 6 17.683 -16.025 14.689 37 H2* G 6 H2* G 6 19.815 -16.108 13.743 38 2HO* G 6 2HO* G 6 20.201 -15.215 11.629 39 H1* G 6 H1* G 6 19.886 -13.537 12.779 40 H8 G 6 H8 G 6 19.640 -13.207 16.536 41 H1 G 6 H1 G 6 25.591 -13.465 14.182 42 1H2 G 6 1H2 G 6 24.007 -14.894 11.340 43 2H2 G 6 2H2 G 6 25.495 -14.370 12.086 44 1H5* G 7 1H5* G 7 19.722 -19.730 13.236 45 2H5* G 7 2H5* G 7 19.219 -18.547 14.475 46 H4* G 7 H4* G 7 21.415 -17.784 12.596 47 H3* G 7 H3* G 7 21.624 -20.088 14.504 48 H2* G 7 H2* G 7 23.292 -19.095 15.702 49 2HO* G 7 2HO* G 7 24.294 -18.913 13.162 50 H1* G 7 H1* G 7 23.276 -16.726 14.217 51 H8 G 7 H8 G 7 21.271 -16.011 17.241 52 H1 G 7 H1 G 7 27.651 -15.014 17.626 53 1H2 G 7 1H2 G 7 27.524 -17.240 14.767 54 2H2 G 7 2H2 G 7 28.508 -16.278 15.847 55 1H5* CH 8 1H5* CH 8 24.178 -23.957 13.304 56 2H5* CH 8 2H5* CH 8 23.334 -22.716 14.246 57 H4* CH 8 H4* CH 8 26.299 -22.511 13.162 58 H3* CH 8 H3* CH 8 25.761 -23.277 16.244 59 H2* CH 8 H2* CH 8 28.036 -22.449 16.361 60 2HO* CH 8 2HO* CH 8 28.037 -22.901 13.496 61 H1* CH 8 H1* CH 8 27.799 -20.767 14.474 62 HN3 CH 8 HN3 CH 8 29.601 -18.537 17.811 63 1H4 CH 8 1H4 CH 8 27.121 -17.159 19.841 64 2H4 CH 8 2H4 CH 8 28.818 -17.076 19.570 65 H5 CH 8 H5 CH 8 25.518 -18.648 18.862 66 H6 CH 8 H6 CH 8 25.150 -20.199 16.928 67 1H5* G 9 1H5* G 9 22.822 -25.333 15.627 68 2H5* G 9 2H5* G 9 23.259 -23.769 16.361 69 H4* G 9 H4* G 9 21.536 -25.100 17.624 70 H3* G 9 H3* G 9 24.004 -24.002 18.715 71 H2* G 9 H2* G 9 24.516 -25.536 20.378 72 2HO* G 9 2HO* G 9 22.503 -25.045 21.419 73 H1* G 9 H1* G 9 23.305 -27.837 19.632 74 H8 G 9 H8 G 9 25.141 -29.321 18.476 75 H1 G 9 H1 G 9 28.901 -24.240 17.652 76 1H2 G 9 1H2 G 9 27.757 -22.380 18.113 77 2H2 G 9 2H2 G 9 26.081 -22.417 18.609 78 1H5* C 10 1H5* C 10 20.833 -22.684 22.516 79 2H5* C 10 2H5* C 10 21.174 -20.923 22.216 80 H4* C 10 H4* C 10 21.517 -21.804 24.706 81 H3* C 10 H3* C 10 23.716 -20.125 23.344 82 H2* C 10 H2* C 10 25.049 -20.294 25.101 83 2HO* C 10 2HO* C 10 22.749 -21.372 26.408 84 H1* C 10 H1* C 10 24.880 -22.966 25.278 85 1H4 C 10 1H4 C 10 28.104 -23.602 19.793 86 2H4 C 10 2H4 C 10 29.347 -23.159 20.947 87 H5 C 10 H5 C 10 25.734 -23.374 20.244 88 H6 C 10 H6 C 10 24.126 -23.059 21.856 89 1H5* C 11 1H5* C 11 23.850 -16.393 27.786 90 2H5* C 11 2H5* C 11 23.657 -15.767 26.162 91 H4* C 11 H4* C 11 26.144 -16.872 27.398 92 H3* C 11 H3* C 11 25.685 -15.114 24.956 93 H2* C 11 H2* C 11 28.014 -15.390 24.636 94 2HO* C 11 2HO* C 11 29.320 -16.305 26.313 95 H1* C 11 H1* C 11 27.900 -17.998 25.794 96 1H4 C 11 1H4 C 11 28.218 -20.393 20.027 97 2H4 C 11 2H4 C 11 29.820 -20.167 20.556 98 H5 C 11 H5 C 11 26.229 -19.372 21.137 99 H6 C 11 H6 C 11 25.645 -17.951 22.923 100 1H5* G 12 1H5* G 12 28.480 -12.645 26.877 101 2H5* G 12 2H5* G 12 28.292 -10.928 26.398 102 H4* G 12 H4* G 12 30.560 -11.978 25.817 103 H3* G 12 H3* G 12 29.014 -11.391 23.220 104 H2* G 12 H2* G 12 31.102 -11.665 22.270 105 2HO* G 12 2HO* G 12 32.019 -11.393 24.901 106 H1* G 12 H1* G 12 31.711 -13.765 23.673 107 H8 G 12 H8 G 12 28.272 -14.539 22.624 108 H1 G 12 H1 G 12 32.887 -16.736 18.951 109 1H2 G 12 1H2 G 12 35.047 -14.612 20.707 110 2H2 G 12 2H2 G 12 34.876 -15.829 19.448 111 1H5* A 13 1H5* A 13 31.447 -7.709 20.832 112 2H5* A 13 2H5* A 13 30.909 -9.185 20.027 113 H4* A 13 H4* A 13 33.106 -8.883 19.124 114 H3* A 13 H3* A 13 32.901 -10.942 21.223 115 H2* A 13 H2* A 13 34.722 -10.191 22.363 116 2HO* A 13 2HO* A 13 36.782 -10.655 21.024 117 H1* A 13 H1* A 13 35.569 -8.691 19.846 118 H8 A 13 H8 A 13 34.989 -6.902 23.042 119 1H6 A 13 1H6 A 13 39.499 -6.196 24.561 120 2H6 A 13 2H6 A 13 41.054 -6.814 24.049 121 H2 A 13 H2 A 13 40.253 -9.637 20.639 122 1H5* C 14 1H5* C 14 35.098 -13.274 18.768 123 2H5* C 14 2H5* C 14 36.492 -13.267 17.776 124 H4* C 14 H4* C 14 35.795 -15.081 16.741 125 H3* C 14 H3* C 14 33.938 -12.980 15.719 126 H2* C 14 H2* C 14 32.313 -14.584 14.966 127 2HO* C 14 2HO* C 14 32.880 -16.663 14.588 128 H1* C 14 H1* C 14 32.539 -16.391 16.815 129 1H4 C 14 1H4 C 14 28.723 -12.719 20.387 130 2H4 C 14 2H4 C 14 27.698 -13.693 19.354 131 H5 C 14 H5 C 14 31.122 -12.623 20.022 132 H6 C 14 H6 C 14 32.908 -13.348 18.587 133 1H5* C 15 1H5* C 15 34.209 -15.360 11.822 134 2H5* C 15 2H5* C 15 34.210 -14.019 10.662 135 H4* C 15 H4* C 15 32.376 -15.873 10.517 136 H3* C 15 H3* C 15 32.032 -12.902 10.265 137 H2* C 15 H2* C 15 29.766 -13.122 10.015 138 2HO* C 15 2HO* C 15 30.180 -15.130 8.678 139 H1* C 15 H1* C 15 29.340 -15.473 11.463 140 1H4 C 15 1H4 C 15 28.103 -11.961 16.639 141 2H4 C 15 2H4 C 15 26.558 -12.483 16.028 142 H5 C 15 H5 C 15 30.139 -12.242 15.572 143 H6 C 15 H6 C 15 31.307 -13.004 13.491 144 1H5* A 16 1H5* A 16 29.168 -12.514 6.036 145 2H5* A 16 2H5* A 16 29.551 -11.321 7.270 146 H4* A 16 H4* A 16 27.034 -12.703 6.628 147 H3* A 16 H3* A 16 27.512 -10.051 8.046 148 H2* A 16 H2* A 16 25.170 -10.353 8.927 149 2HO* A 16 2HO* A 16 25.021 -12.088 6.624 150 H1* A 16 H1* A 16 25.159 -12.853 9.168 151 H8 A 16 H8 A 16 28.354 -11.614 10.753 152 1H6 A 16 1H6 A 16 26.612 -10.880 15.169 153 2H6 A 16 2H6 A 16 24.982 -10.629 15.815 154 H2 A 16 H2 A 16 22.202 -10.965 12.374 155 1H5* C 17 1H5* C 17 24.716 -9.388 6.366 156 2H5* C 17 2H5* C 17 24.225 -7.870 5.613 157 H4* C 17 H4* C 17 22.748 -8.340 7.470 158 H3* C 17 H3* C 17 24.722 -6.155 8.065 159 H2* C 17 H2* C 17 23.641 -5.780 10.130 160 2HO* C 17 2HO* C 17 21.587 -6.787 10.541 161 H1* C 17 H1* C 17 22.862 -8.378 10.460 162 1H4 C 17 1H4 C 17 27.876 -8.980 14.411 163 2H4 C 17 2H4 C 17 26.518 -8.448 15.336 164 H5 C 17 H5 C 17 27.877 -8.887 11.720 165 H6 C 17 H6 C 17 26.401 -8.582 9.907 166 1H5* U 18 1H5* U 18 21.132 -1.900 8.803 167 2H5* U 18 2H5* U 18 22.891 -1.957 8.912 168 H4* U 18 H4* U 18 20.822 -2.957 10.915 169 H3* U 18 H3* U 18 22.228 -0.461 10.874 170 H2* U 18 H2* U 18 23.909 -1.169 12.630 171 2HO* U 18 2HO* U 18 22.411 -1.971 14.506 172 H1* U 18 H1* U 18 22.132 -3.271 13.281 173 H3 U 18 H3 U 18 25.166 -4.556 16.191 174 H5 U 18 H5 U 18 26.612 -5.447 12.352 175 H6 U 18 H6 U 18 25.055 -3.968 11.455 176 1H5* U 19 1H5* U 19 18.067 -2.656 12.459 177 2H5* U 19 2H5* U 19 16.818 -1.711 11.734 178 H4* U 19 H4* U 19 16.024 -2.463 14.013 179 H3* U 19 H3* U 19 15.860 0.370 13.720 180 H2* U 19 H2* U 19 18.311 0.608 14.600 181 2HO* U 19 2HO* U 19 16.430 1.914 15.576 182 H1* U 19 H1* U 19 17.121 -1.094 16.751 183 H3 U 19 H3 U 19 20.580 -0.775 19.580 184 H5 U 19 H5 U 19 22.420 -0.206 15.823 185 H6 U 19 H6 U 19 20.283 -0.426 14.810 186 1H5* A 20 1H5* A 20 13.441 -1.175 12.237 187 2H5* A 20 2H5* A 20 11.915 -1.875 12.802 188 H4* A 20 H4* A 20 13.229 -3.204 10.992 189 H3* A 20 H3* A 20 12.444 -4.408 13.699 190 H2* A 20 H2* A 20 13.308 -6.433 13.136 191 2HO* A 20 2HO* A 20 13.904 -6.750 10.811 192 H1* A 20 H1* A 20 15.385 -5.457 11.497 193 H8 A 20 H8 A 20 14.088 -5.815 15.099 194 1H6 A 20 1H6 A 20 19.893 -6.949 16.723 195 2H6 A 20 2H6 A 20 18.221 -7.011 17.230 196 H2 A 20 H2 A 20 19.940 -5.573 12.482 197 1H5* A 21 1H5* A 21 10.653 -7.114 9.877 198 2H5* A 21 2H5* A 21 9.917 -8.442 10.792 199 H4* A 21 H4* A 21 12.119 -8.965 9.185 200 H3* A 21 H3* A 21 11.355 -10.288 11.793 201 H2* A 21 H2* A 21 13.491 -10.693 12.124 202 2HO* A 21 2HO* A 21 14.069 -11.793 9.584 203 H1* A 21 H1* A 21 14.247 -9.494 9.371 204 H8 A 21 H8 A 21 15.163 -9.730 13.181 205 1H6 A 21 1H6 A 21 19.636 -8.013 12.984 206 2H6 A 21 2H6 A 21 20.675 -7.536 11.660 207 H2 A 21 H2 A 21 18.419 -8.196 7.891 208 1H5* A 22 1H5* A 22 12.637 -14.541 7.498 209 2H5* A 22 2H5* A 22 13.977 -14.472 8.652 210 H4* A 22 H4* A 22 13.544 -12.506 6.320 211 H3* A 22 H3* A 22 15.310 -14.883 6.949 212 H2* A 22 H2* A 22 17.240 -13.797 6.965 213 2HO* A 22 2HO* A 22 17.822 -12.477 5.171 214 H1* A 22 H1* A 22 16.238 -11.118 6.367 215 H8 A 22 H8 A 22 16.102 -11.851 9.934 216 1H6 A 22 1H6 A 22 22.153 -10.628 10.267 217 2H6 A 22 2H6 A 22 20.743 -11.041 11.214 218 H2 A 22 H2 A 22 21.028 -10.613 6.119 219 1H5* A 23 1H5* A 23 17.327 -14.563 3.555 220 2H5* A 23 2H5* A 23 17.034 -16.046 2.631 221 H4* A 23 H4* A 23 19.330 -15.973 2.698 222 H3* A 23 H3* A 23 18.696 -17.420 5.359 223 H2* A 23 H2* A 23 21.264 -17.833 5.401 224 2HO* A 23 2HO* A 23 21.230 -16.370 2.978 225 H1* A 23 H1* A 23 21.727 -15.180 4.718 226 H8 A 23 H8 A 23 18.725 -15.405 7.204 227 1H6 A 23 1H6 A 23 22.963 -13.700 11.377 228 2H6 A 23 2H6 A 23 21.266 -13.978 11.139 229 H2 A 23 H2 A 23 25.035 -14.445 7.460 230 1H5* A 24 1H5* A 24 21.870 -21.405 3.745 231 2H5* A 24 2H5* A 24 20.773 -22.179 4.903 232 H4* A 24 H4* A 24 23.279 -22.153 5.628 233 H3* A 24 H3* A 24 21.056 -21.636 7.416 234 H2* A 24 H2* A 24 22.286 -20.281 8.683 235 2HO* A 24 2HO* A 24 23.628 -21.378 9.893 236 H1* A 24 H1* A 24 24.820 -20.593 7.099 237 H8 A 24 H8 A 24 22.322 -18.085 8.782 238 1H6 A 24 1H6 A 24 27.358 -14.720 9.695 239 2H6 A 24 2H6 A 24 25.698 -14.973 10.181 240 H2 A 24 H2 A 24 28.271 -17.683 6.526 241 1H5* C 25 1H5* C 25 20.302 -25.251 9.675 242 2H5* C 25 2H5* C 25 21.280 -23.815 9.421 243 H4* C 25 H4* C 25 23.151 -24.679 10.463 244 H3* C 25 H3* C 25 22.244 -27.432 9.791 245 H2* C 25 H2* C 25 23.604 -28.189 11.639 246 2HO* C 25 2HO* C 25 24.911 -26.233 12.549 247 H1* C 25 H1* C 25 23.218 -25.937 13.230 248 1H4 C 25 1H4 C 25 20.083 -30.410 16.463 249 2H4 C 25 2H4 C 25 19.135 -30.861 15.063 250 H5 C 25 H5 C 25 19.394 -29.818 12.904 251 H6 C 25 H6 C 25 20.603 -28.153 11.635 252 1H5* A 26 1H5* A 26 26.077 -24.330 10.999 253 2H5* A 26 2H5* A 26 25.144 -24.636 9.528 254 H4* A 26 H4* A 26 27.426 -24.534 8.306 255 H3* A 26 H3* A 26 28.163 -23.560 11.039 256 H2* A 26 H2* A 26 29.053 -21.569 10.348 257 2HO* A 26 2HO* A 26 30.549 -22.193 8.898 258 H1* A 26 H1* A 26 27.552 -21.019 8.085 259 H8 A 26 H8 A 26 25.104 -21.725 10.837 260 1H6 A 26 1H6 A 26 26.648 -16.213 13.246 261 2H6 A 26 2H6 A 26 25.573 -17.577 13.429 262 H2 A 26 H2 A 26 29.438 -17.147 9.896 263 1H5* C 27 1H5* C 27 32.491 -23.719 9.471 264 2H5* C 27 2H5* C 27 33.321 -24.770 10.627 265 H4* C 27 H4* C 27 34.595 -22.681 10.405 266 H3* C 27 H3* C 27 32.959 -22.225 12.880 267 H2* C 27 H2* C 27 34.459 -20.354 13.144 268 2HO* C 27 2HO* C 27 36.389 -20.959 12.502 269 H1* C 27 H1* C 27 34.231 -19.705 10.439 270 1H4 C 27 1H4 C 27 29.326 -16.858 13.850 271 2H4 C 27 2H4 C 27 30.554 -15.646 13.560 272 H5 C 27 H5 C 27 29.627 -19.065 13.398 273 H6 C 27 H6 C 27 30.870 -20.760 11.950 274 1H5* C 28 1H5* C 28 38.072 -21.577 13.601 275 2H5* C 28 2H5* C 28 37.935 -22.433 15.145 276 H4* C 28 H4* C 28 39.232 -20.117 14.957 277 H3* C 28 H3* C 28 37.520 -21.190 17.150 278 H2* C 28 H2* C 28 37.486 -19.226 18.367 279 2HO* C 28 2HO* C 28 39.788 -18.895 18.186 280 H1* C 28 H1* C 28 37.280 -17.359 16.331 281 1H4 C 28 1H4 C 28 31.439 -20.161 17.761 282 2H4 C 28 2H4 C 28 31.525 -18.699 18.731 283 H5 C 28 H5 C 28 33.173 -20.965 16.453 284 H6 C 28 H6 C 28 35.330 -20.371 15.282 285 1H5* G 29 1H5* G 29 40.392 -20.192 19.382 286 2H5* G 29 2H5* G 29 41.216 -21.219 20.565 287 H4* G 29 H4* G 29 39.944 -19.308 21.567 288 H3* G 29 H3* G 29 38.590 -21.952 22.219 289 H2* G 29 H2* G 29 37.108 -20.713 23.579 290 2HO* G 29 2HO* G 29 37.482 -18.533 24.057 291 H1* G 29 H1* G 29 36.878 -18.569 21.769 292 H8 G 29 H8 G 29 36.514 -21.478 19.384 293 H1 G 29 H1 G 29 30.995 -19.355 21.940 294 1H2 G 29 1H2 G 29 33.256 -17.905 24.437 295 2H2 G 29 2H2 G 29 31.602 -18.101 23.906 296 1H5* G 30 1H5* G 30 39.136 -20.192 25.383 297 2H5* G 30 2H5* G 30 39.323 -20.836 27.026 298 H4* G 30 H4* G 30 37.144 -19.696 26.574 299 H3* G 30 H3* G 30 37.088 -22.651 27.207 300 H2* G 30 H2* G 30 34.802 -22.725 26.825 301 2HO* G 30 2HO* G 30 34.940 -20.448 28.282 302 H1* G 30 H1* G 30 34.745 -20.144 25.472 303 H8 G 30 H8 G 30 35.955 -22.345 22.655 304 H1 G 30 H1 G 30 29.601 -22.339 23.243 305 1H2 G 30 1H2 G 30 30.088 -21.179 26.512 306 2H2 G 30 2H2 G 30 28.957 -21.640 25.255 Start of MODEL 9 1 1H5* A 3 1H5* A 3 25.826 -5.255 26.539 2 2H5* A 3 2H5* A 3 24.595 -4.343 27.397 3 H4* A 3 H4* A 3 24.113 -3.186 25.590 4 H3* A 3 H3* A 3 23.275 -5.769 24.045 5 H2* A 3 H2* A 3 22.930 -4.438 22.185 6 2HO* A 3 2HO* A 3 22.570 -2.302 22.230 7 H1* A 3 H1* A 3 25.352 -2.924 22.548 8 H8 A 3 H8 A 3 26.699 -5.977 22.850 9 1H6 A 3 1H6 A 3 27.653 -6.739 18.179 10 2H6 A 3 2H6 A 3 26.946 -6.089 16.688 11 H2 A 3 H2 A 3 23.683 -3.273 17.980 12 1H5* G 4 1H5* G 4 20.358 -4.313 23.017 13 2H5* G 4 2H5* G 4 18.765 -5.022 23.347 14 H4* G 4 H4* G 4 18.962 -4.675 21.013 15 H3* G 4 H3* G 4 20.012 -7.667 21.034 16 H2* G 4 H2* G 4 19.886 -7.521 18.630 17 2HO* G 4 2HO* G 4 18.989 -5.665 17.652 18 H1* G 4 H1* G 4 20.988 -4.998 18.588 19 H8 G 4 H8 G 4 23.188 -6.641 20.938 20 H1 G 4 H1 G 4 24.262 -7.586 14.661 21 1H2 G 4 1H2 G 4 20.815 -6.515 14.616 22 2H2 G 4 2H2 G 4 22.194 -7.032 13.683 23 1H5* U 5 1H5* U 5 16.328 -7.851 18.933 24 2H5* U 5 2H5* U 5 15.268 -9.224 19.293 25 H4* U 5 H4* U 5 15.604 -9.028 16.872 26 H3* U 5 H3* U 5 17.355 -11.378 17.815 27 H2* U 5 H2* U 5 17.674 -11.779 15.477 28 2HO* U 5 2HO* U 5 15.463 -10.069 15.273 29 H1* U 5 H1* U 5 18.176 -9.223 14.904 30 H3 U 5 H3 U 5 22.370 -10.414 14.605 31 H5 U 5 H5 U 5 21.770 -9.699 18.721 32 H6 U 5 H6 U 5 19.351 -9.630 18.286 33 1H5* G 6 1H5* G 6 15.656 -12.703 14.953 34 2H5* G 6 2H5* G 6 15.103 -14.386 14.834 35 H4* G 6 H4* G 6 16.783 -13.897 13.233 36 H3* G 6 H3* G 6 17.867 -15.629 15.430 37 H2* G 6 H2* G 6 19.812 -15.852 14.057 38 2HO* G 6 2HO* G 6 17.993 -15.269 12.061 39 H1* G 6 H1* G 6 19.712 -13.389 13.060 40 H8 G 6 H8 G 6 19.714 -12.900 16.808 41 H1 G 6 H1 G 6 25.521 -13.225 14.130 42 1H2 G 6 1H2 G 6 23.858 -14.746 11.421 43 2H2 G 6 2H2 G 6 25.369 -14.195 12.109 44 1H5* G 7 1H5* G 7 19.035 -19.379 15.921 45 2H5* G 7 2H5* G 7 18.636 -17.640 15.889 46 H4* G 7 H4* G 7 20.063 -18.092 13.537 47 H3* G 7 H3* G 7 21.082 -20.059 15.486 48 H2* G 7 H2* G 7 22.987 -18.824 16.120 49 2HO* G 7 2HO* G 7 24.326 -17.946 14.413 50 H1* G 7 H1* G 7 22.721 -16.674 14.464 51 H8 G 7 H8 G 7 20.970 -15.778 17.603 52 H1 G 7 H1 G 7 27.353 -14.910 17.586 53 1H2 G 7 1H2 G 7 27.110 -17.200 14.820 54 2H2 G 7 2H2 G 7 28.139 -16.220 15.838 55 1H5* CH 8 1H5* CH 8 22.073 -23.926 14.913 56 2H5* CH 8 2H5* CH 8 21.496 -22.311 15.410 57 H4* CH 8 H4* CH 8 24.311 -22.612 14.183 58 H3* CH 8 H3* CH 8 23.949 -23.435 17.255 59 H2* CH 8 H2* CH 8 26.247 -22.668 17.320 60 2HO* CH 8 2HO* CH 8 26.214 -23.242 14.472 61 H1* CH 8 H1* CH 8 26.052 -21.079 15.244 62 HN3 CH 8 HN3 CH 8 28.635 -18.828 18.017 63 1H4 CH 8 1H4 CH 8 28.464 -17.498 19.334 64 2H4 CH 8 2H4 CH 8 27.135 -16.851 20.229 65 H5 CH 8 H5 CH 8 24.751 -18.332 19.679 66 H6 CH 8 H6 CH 8 23.910 -19.979 17.989 67 1H5* G 9 1H5* G 9 22.676 -27.214 18.767 68 2H5* G 9 2H5* G 9 21.700 -25.729 18.588 69 H4* G 9 H4* G 9 22.335 -26.277 20.967 70 H3* G 9 H3* G 9 22.441 -23.813 19.704 71 H2* G 9 H2* G 9 24.625 -23.433 19.422 72 2HO* G 9 2HO* G 9 23.934 -22.681 21.860 73 H1* G 9 H1* G 9 25.665 -25.118 21.686 74 H8 G 9 H8 G 9 25.547 -25.090 17.818 75 H1 G 9 H1 G 9 31.283 -26.213 20.341 76 1H2 G 9 1H2 G 9 31.136 -26.273 22.553 77 2H2 G 9 2H2 G 9 29.625 -26.031 23.402 78 1H5* C 10 1H5* C 10 22.375 -23.368 24.404 79 2H5* C 10 2H5* C 10 21.405 -21.994 24.875 80 H4* C 10 H4* C 10 23.250 -22.079 26.480 81 H3* C 10 H3* C 10 24.559 -20.280 24.389 82 H2* C 10 H2* C 10 26.145 -19.922 25.874 83 2HO* C 10 2HO* C 10 24.230 -20.893 27.657 84 H1* C 10 H1* C 10 26.337 -22.688 26.344 85 1H4 C 10 1H4 C 10 29.339 -23.743 20.787 86 2H4 C 10 2H4 C 10 30.634 -23.255 21.874 87 H5 C 10 H5 C 10 27.011 -23.423 21.285 88 H6 C 10 H6 C 10 25.454 -23.004 22.898 89 1H5* C 11 1H5* C 11 24.469 -15.778 28.174 90 2H5* C 11 2H5* C 11 24.131 -15.539 26.471 91 H4* C 11 H4* C 11 26.715 -16.469 27.709 92 H3* C 11 H3* C 11 26.088 -14.817 25.234 93 H2* C 11 H2* C 11 28.364 -15.161 24.693 94 2HO* C 11 2HO* C 11 29.830 -15.967 26.304 95 H1* C 11 H1* C 11 28.337 -17.688 26.071 96 1H4 C 11 1H4 C 11 28.434 -20.490 20.505 97 2H4 C 11 2H4 C 11 30.048 -20.173 20.934 98 H5 C 11 H5 C 11 26.440 -19.413 21.642 99 H6 C 11 H6 C 11 25.912 -17.897 23.360 100 1H5* G 12 1H5* G 12 28.626 -12.028 26.885 101 2H5* G 12 2H5* G 12 28.411 -10.372 26.217 102 H4* G 12 H4* G 12 30.588 -11.654 25.544 103 H3* G 12 H3* G 12 28.841 -11.039 23.078 104 H2* G 12 H2* G 12 30.767 -11.548 21.975 105 2HO* G 12 2HO* G 12 31.968 -11.131 24.430 106 H1* G 12 H1* G 12 31.431 -13.618 23.394 107 H8 G 12 H8 G 12 27.847 -14.255 22.754 108 H1 G 12 H1 G 12 32.166 -16.967 18.813 109 1H2 G 12 1H2 G 12 34.418 -14.743 20.349 110 2H2 G 12 2H2 G 12 34.184 -16.049 19.197 111 1H5* A 13 1H5* A 13 32.834 -7.544 21.209 112 2H5* A 13 2H5* A 13 31.823 -8.619 20.228 113 H4* A 13 H4* A 13 33.998 -9.057 19.480 114 H3* A 13 H3* A 13 32.672 -11.072 20.984 115 H2* A 13 H2* A 13 34.233 -11.703 22.519 116 2HO* A 13 2HO* A 13 35.341 -12.326 20.081 117 H1* A 13 H1* A 13 36.566 -10.300 21.599 118 H8 A 13 H8 A 13 33.704 -10.205 24.248 119 1H6 A 13 1H6 A 13 38.128 -8.519 28.164 120 2H6 A 13 2H6 A 13 36.436 -8.931 27.999 121 H2 A 13 H2 A 13 39.937 -8.765 24.059 122 1H5* C 14 1H5* C 14 35.253 -13.762 18.632 123 2H5* C 14 2H5* C 14 36.509 -13.681 17.410 124 H4* C 14 H4* C 14 35.442 -15.454 16.547 125 H3* C 14 H3* C 14 33.867 -13.074 15.580 126 H2* C 14 H2* C 14 32.028 -14.481 14.889 127 2HO* C 14 2HO* C 14 32.330 -16.605 14.490 128 H1* C 14 H1* C 14 32.252 -16.350 16.710 129 1H4 C 14 1H4 C 14 28.551 -12.535 20.282 130 2H4 C 14 2H4 C 14 27.452 -13.495 19.324 131 H5 C 14 H5 C 14 30.981 -12.490 19.821 132 H6 C 14 H6 C 14 32.721 -13.312 18.327 133 1H5* C 15 1H5* C 15 34.065 -15.248 11.350 134 2H5* C 15 2H5* C 15 33.948 -13.778 10.372 135 H4* C 15 H4* C 15 32.120 -15.748 10.303 136 H3* C 15 H3* C 15 31.821 -12.776 9.932 137 H2* C 15 H2* C 15 29.552 -12.970 9.785 138 2HO* C 15 2HO* C 15 29.896 -15.045 8.505 139 H1* C 15 H1* C 15 29.155 -15.278 11.326 140 1H4 C 15 1H4 C 15 28.149 -11.672 16.503 141 2H4 C 15 2H4 C 15 26.584 -12.191 15.947 142 H5 C 15 H5 C 15 30.156 -11.952 15.314 143 H6 C 15 H6 C 15 31.217 -12.779 13.194 144 1H5* A 16 1H5* A 16 28.805 -12.536 5.706 145 2H5* A 16 2H5* A 16 29.160 -11.342 6.943 146 H4* A 16 H4* A 16 26.678 -12.855 6.365 147 H3* A 16 H3* A 16 27.075 -10.099 7.599 148 H2* A 16 H2* A 16 24.799 -10.434 8.623 149 2HO* A 16 2HO* A 16 24.603 -12.275 6.414 150 H1* A 16 H1* A 16 24.906 -12.908 9.003 151 H8 A 16 H8 A 16 28.099 -11.450 10.407 152 1H6 A 16 1H6 A 16 26.399 -10.597 14.808 153 2H6 A 16 2H6 A 16 24.766 -10.399 15.462 154 H2 A 16 H2 A 16 21.961 -11.017 12.073 155 1H5* C 17 1H5* C 17 23.905 -8.425 5.314 156 2H5* C 17 2H5* C 17 24.256 -6.718 5.508 157 H4* C 17 H4* C 17 22.332 -7.911 6.922 158 H3* C 17 H3* C 17 24.327 -5.986 8.112 159 H2* C 17 H2* C 17 23.006 -5.971 10.056 160 2HO* C 17 2HO* C 17 21.010 -7.009 10.158 161 H1* C 17 H1* C 17 22.494 -8.522 10.022 162 1H4 C 17 1H4 C 17 27.690 -8.741 13.788 163 2H4 C 17 2H4 C 17 26.354 -8.225 14.748 164 H5 C 17 H5 C 17 27.571 -8.804 11.104 165 H6 C 17 H6 C 17 25.988 -8.646 9.341 166 1H5* U 18 1H5* U 18 21.370 -1.168 8.768 167 2H5* U 18 2H5* U 18 23.059 -1.602 8.917 168 H4* U 18 H4* U 18 20.766 -2.685 10.618 169 H3* U 18 H3* U 18 22.194 -0.296 10.999 170 H2* U 18 H2* U 18 23.851 -1.229 12.590 171 2HO* U 18 2HO* U 18 22.444 -2.106 14.485 172 H1* U 18 H1* U 18 21.999 -3.299 13.106 173 H3 U 18 H3 U 18 25.162 -4.517 16.001 174 H5 U 18 H5 U 18 26.450 -5.536 12.132 175 H6 U 18 H6 U 18 24.861 -4.050 11.280 176 1H5* U 19 1H5* U 19 18.185 -2.271 12.393 177 2H5* U 19 2H5* U 19 16.871 -1.356 11.739 178 H4* U 19 H4* U 19 16.183 -2.092 14.043 179 H3* U 19 H3* U 19 16.046 0.721 13.759 180 H2* U 19 H2* U 19 18.547 0.938 14.530 181 2HO* U 19 2HO* U 19 16.916 2.377 15.554 182 H1* U 19 H1* U 19 17.438 -0.744 16.736 183 H3 U 19 H3 U 19 21.041 -0.616 19.397 184 H5 U 19 H5 U 19 22.719 -0.158 15.541 185 H6 U 19 H6 U 19 20.558 -0.208 14.656 186 1H5* A 20 1H5* A 20 14.435 -0.791 12.150 187 2H5* A 20 2H5* A 20 12.773 -1.359 12.385 188 H4* A 20 H4* A 20 14.173 -2.635 10.645 189 H3* A 20 H3* A 20 12.296 -3.576 12.448 190 H2* A 20 H2* A 20 13.584 -4.969 13.804 191 2HO* A 20 2HO* A 20 14.339 -6.921 12.523 192 H1* A 20 H1* A 20 15.772 -5.306 11.749 193 H8 A 20 H8 A 20 14.938 -4.450 15.455 194 1H6 A 20 1H6 A 20 19.400 -4.436 17.275 195 2H6 A 20 2H6 A 20 20.982 -4.632 16.560 196 H2 A 20 H2 A 20 20.386 -5.123 12.172 197 1H5* A 21 1H5* A 21 12.297 -7.303 8.423 198 2H5* A 21 2H5* A 21 10.915 -8.038 9.258 199 H4* A 21 H4* A 21 12.608 -9.680 8.353 200 H3* A 21 H3* A 21 11.659 -9.625 11.204 201 H2* A 21 H2* A 21 13.526 -10.680 12.126 202 2HO* A 21 2HO* A 21 14.295 -12.499 11.163 203 H1* A 21 H1* A 21 15.243 -10.796 9.977 204 H8 A 21 H8 A 21 14.260 -8.724 13.044 205 1H6 A 21 1H6 A 21 18.957 -7.325 14.087 206 2H6 A 21 2H6 A 21 20.422 -7.558 13.169 207 H2 A 21 H2 A 21 19.418 -9.924 9.554 208 1H5* A 22 1H5* A 22 12.411 -14.791 7.593 209 2H5* A 22 2H5* A 22 13.786 -15.002 8.666 210 H4* A 22 H4* A 22 13.581 -12.968 6.371 211 H3* A 22 H3* A 22 15.107 -15.513 6.933 212 H2* A 22 H2* A 22 17.137 -14.629 6.596 213 2HO* A 22 2HO* A 22 17.468 -13.117 4.817 214 H1* A 22 H1* A 22 16.373 -11.831 6.334 215 H8 A 22 H8 A 22 16.729 -13.401 9.792 216 1H6 A 22 1H6 A 22 21.363 -12.460 10.675 217 2H6 A 22 2H6 A 22 22.609 -11.673 9.732 218 H2 A 22 H2 A 22 20.963 -10.569 5.933 219 1H5* A 23 1H5* A 23 17.052 -14.943 3.910 220 2H5* A 23 2H5* A 23 16.823 -16.260 2.748 221 H4* A 23 H4* A 23 19.070 -16.304 2.855 222 H3* A 23 H3* A 23 18.435 -17.872 5.438 223 H2* A 23 H2* A 23 21.019 -18.261 5.487 224 2HO* A 23 2HO* A 23 22.052 -17.906 3.734 225 H1* A 23 H1* A 23 21.475 -15.622 4.861 226 H8 A 23 H8 A 23 18.559 -16.089 7.425 227 1H6 A 23 1H6 A 23 21.094 -14.390 11.292 228 2H6 A 23 2H6 A 23 22.719 -13.849 11.415 229 H2 A 23 H2 A 23 24.719 -14.529 7.426 230 1H5* A 24 1H5* A 24 21.861 -21.668 3.613 231 2H5* A 24 2H5* A 24 20.772 -22.443 4.779 232 H4* A 24 H4* A 24 23.284 -22.324 5.511 233 H3* A 24 H3* A 24 21.033 -21.906 7.304 234 H2* A 24 H2* A 24 22.216 -20.527 8.549 235 2HO* A 24 2HO* A 24 23.347 -21.782 9.784 236 H1* A 24 H1* A 24 24.754 -20.784 6.962 237 H8 A 24 H8 A 24 22.266 -18.337 8.740 238 1H6 A 24 1H6 A 24 25.585 -15.010 9.865 239 2H6 A 24 2H6 A 24 27.209 -14.721 9.292 240 H2 A 24 H2 A 24 28.083 -17.771 6.203 241 1H5* C 25 1H5* C 25 20.067 -25.539 8.407 242 2H5* C 25 2H5* C 25 21.386 -24.366 8.585 243 H4* C 25 H4* C 25 21.643 -25.923 10.331 244 H3* C 25 H3* C 25 23.657 -25.580 8.494 245 H2* C 25 H2* C 25 23.104 -27.205 7.119 246 2HO* C 25 2HO* C 25 24.636 -28.824 8.884 247 H1* C 25 H1* C 25 22.559 -29.200 9.301 248 1H4 C 25 1H4 C 25 19.318 -32.818 5.293 249 2H4 C 25 2H4 C 25 19.521 -31.681 3.980 250 H5 C 25 H5 C 25 20.813 -29.658 4.223 251 H6 C 25 H6 C 25 21.478 -27.945 5.845 252 1H5* A 26 1H5* A 26 26.001 -23.801 11.410 253 2H5* A 26 2H5* A 26 24.958 -24.414 10.118 254 H4* A 26 H4* A 26 27.104 -24.545 8.696 255 H3* A 26 H3* A 26 28.118 -23.256 11.151 256 H2* A 26 H2* A 26 28.850 -21.294 10.233 257 2HO* A 26 2HO* A 26 30.257 -22.218 8.757 258 H1* A 26 H1* A 26 27.216 -20.947 8.047 259 H8 A 26 H8 A 26 24.850 -21.575 10.833 260 1H6 A 26 1H6 A 26 26.339 -16.057 13.188 261 2H6 A 26 2H6 A 26 25.285 -17.438 13.376 262 H2 A 26 H2 A 26 29.149 -17.000 9.826 263 1H5* C 27 2H5* C 27 31.607 -23.640 9.302 264 2H5* C 27 1H5* C 27 33.004 -24.568 9.871 265 H4* C 27 H4* C 27 33.565 -22.153 9.681 266 H3* C 27 H3* C 27 33.346 -22.621 12.627 267 H2* C 27 H2* C 27 33.949 -20.390 12.773 268 2HO* C 27 2HO* C 27 35.864 -20.645 11.603 269 H1* C 27 H1* C 27 33.028 -19.730 10.106 270 1H4 C 27 1H4 C 27 30.084 -15.301 13.306 271 2H4 C 27 2H4 C 27 28.793 -16.408 13.719 272 H5 C 27 H5 C 27 29.076 -18.722 13.651 273 H6 C 27 H6 C 27 30.146 -20.562 12.310 274 1H5* C 28 1H5* C 28 37.603 -22.630 14.969 275 2H5* C 28 2H5* C 28 36.021 -21.981 15.418 276 H4* C 28 H4* C 28 38.526 -20.398 14.709 277 H3* C 28 H3* C 28 37.210 -21.261 17.198 278 H2* C 28 H2* C 28 36.685 -19.250 18.119 279 2HO* C 28 2HO* C 28 38.867 -18.169 16.630 280 H1* C 28 H1* C 28 36.525 -17.509 15.952 281 1H4 C 28 1H4 C 28 30.649 -20.281 17.395 282 2H4 C 28 2H4 C 28 30.767 -18.898 18.463 283 H5 C 28 H5 C 28 32.308 -20.992 15.965 284 H6 C 28 H6 C 28 34.507 -20.470 14.898 285 1H5* G 29 1H5* G 29 40.552 -19.862 19.181 286 2H5* G 29 2H5* G 29 41.363 -20.977 20.297 287 H4* G 29 H4* G 29 40.203 -18.966 21.352 288 H3* G 29 H3* G 29 38.867 -21.581 22.125 289 H2* G 29 H2* G 29 37.544 -20.280 23.634 290 2HO* G 29 2HO* G 29 39.652 -18.526 23.356 291 H1* G 29 H1* G 29 37.101 -18.251 21.761 292 H8 G 29 H8 G 29 36.746 -21.330 19.581 293 H1 G 29 H1 G 29 31.257 -19.220 22.198 294 1H2 G 29 1H2 G 29 33.577 -17.506 24.467 295 2H2 G 29 2H2 G 29 31.910 -17.796 24.031 296 1H5* G 30 1H5* G 30 40.578 -20.144 25.423 297 2H5* G 30 2H5* G 30 40.993 -21.005 26.918 298 H4* G 30 H4* G 30 38.856 -19.671 26.971 299 H3* G 30 H3* G 30 38.697 -22.671 27.335 300 H2* G 30 H2* G 30 36.375 -22.535 27.567 301 2HO* G 30 2HO* G 30 37.044 -20.218 28.826 302 H1* G 30 H1* G 30 36.118 -20.084 26.094 303 H8 G 30 H8 G 30 37.270 -22.448 23.368 304 H1 G 30 H1 G 30 30.964 -22.289 24.136 305 1H2 G 30 1H2 G 30 31.563 -20.939 27.308 306 2H2 G 30 2H2 G 30 30.387 -21.455 26.114 Start of MODEL 10 1 1H5* A 3 1H5* A 3 23.785 -3.563 21.180 2 2H5* A 3 2H5* A 3 23.329 -1.916 21.697 3 H4* A 3 H4* A 3 22.039 -3.419 23.041 4 H3* A 3 H3* A 3 23.768 -2.697 25.101 5 H2* A 3 H2* A 3 25.663 -3.870 24.255 6 2HO* A 3 2HO* A 3 24.348 -5.064 26.289 7 H1* A 3 H1* A 3 24.141 -6.189 23.779 8 H8 A 3 H8 A 3 27.064 -6.550 23.537 9 1H6 A 3 1H6 A 3 28.546 -6.952 18.805 10 2H6 A 3 2H6 A 3 27.868 -6.243 17.324 11 H2 A 3 H2 A 3 24.260 -3.916 18.518 12 1H5* G 4 1H5* G 4 20.552 -4.714 24.009 13 2H5* G 4 2H5* G 4 19.197 -5.710 24.348 14 H4* G 4 H4* G 4 19.382 -5.064 21.940 15 H3* G 4 H3* G 4 20.437 -8.068 21.793 16 H2* G 4 H2* G 4 20.403 -7.780 19.400 17 2HO* G 4 2HO* G 4 18.715 -5.587 20.104 18 H1* G 4 H1* G 4 21.459 -5.276 19.526 19 H8 G 4 H8 G 4 23.552 -7.000 21.828 20 H1 G 4 H1 G 4 24.815 -7.647 15.594 21 1H2 G 4 1H2 G 4 21.362 -6.552 15.544 22 2H2 G 4 2H2 G 4 22.752 -7.018 14.606 23 1H5* U 5 1H5* U 5 16.917 -8.087 19.481 24 2H5* U 5 2H5* U 5 15.769 -9.393 19.785 25 H4* U 5 H4* U 5 16.160 -9.216 17.388 26 H3* U 5 H3* U 5 17.810 -11.636 18.342 27 H2* U 5 H2* U 5 18.272 -11.978 16.022 28 2HO* U 5 2HO* U 5 16.087 -10.264 15.740 29 H1* U 5 H1* U 5 18.779 -9.414 15.486 30 H3 U 5 H3 U 5 22.944 -10.648 15.245 31 H5 U 5 H5 U 5 22.344 -9.888 19.320 32 H6 U 5 H6 U 5 19.917 -9.858 18.867 33 1H5* G 6 1H5* G 6 15.784 -13.263 15.023 34 2H5* G 6 2H5* G 6 15.321 -14.954 15.303 35 H4* G 6 H4* G 6 16.809 -14.597 13.381 36 H3* G 6 H3* G 6 18.003 -16.195 15.652 37 H2* G 6 H2* G 6 19.788 -16.691 14.104 38 2HO* G 6 2HO* G 6 17.827 -15.967 12.270 39 H1* G 6 H1* G 6 19.833 -14.204 13.076 40 H8 G 6 H8 G 6 19.803 -13.730 16.839 41 H1 G 6 H1 G 6 25.569 -13.933 14.119 42 1H2 G 6 1H2 G 6 23.874 -15.431 11.402 43 2H2 G 6 2H2 G 6 25.400 -14.879 12.065 44 1H5* G 7 1H5* G 7 19.463 -19.663 16.616 45 2H5* G 7 2H5* G 7 19.381 -17.911 16.259 46 H4* G 7 H4* G 7 19.955 -19.485 13.876 47 H3* G 7 H3* G 7 21.705 -20.009 16.307 48 H2* G 7 H2* G 7 23.665 -19.797 14.777 49 2HO* G 7 2HO* G 7 23.392 -19.686 12.651 50 H1* G 7 H1* G 7 23.026 -17.617 13.839 51 H8 G 7 H8 G 7 21.255 -16.965 16.995 52 H1 G 7 H1 G 7 27.585 -15.777 17.316 53 1H2 G 7 1H2 G 7 27.586 -17.799 14.321 54 2H2 G 7 2H2 G 7 28.504 -16.849 15.469 55 1H5* CH 8 1H5* CH 8 22.650 -23.131 13.768 56 2H5* CH 8 2H5* CH 8 23.160 -24.731 14.287 57 H4* CH 8 H4* CH 8 25.098 -23.491 13.144 58 H3* CH 8 H3* CH 8 25.439 -23.318 16.317 59 H2* CH 8 H2* CH 8 27.866 -22.671 15.337 60 2HO* CH 8 2HO* CH 8 28.097 -22.524 13.166 61 H1* CH 8 H1* CH 8 27.004 -21.104 13.898 62 HN3 CH 8 HN3 CH 8 29.261 -19.169 17.165 63 1H4 CH 8 1H4 CH 8 28.928 -18.071 18.663 64 2H4 CH 8 2H4 CH 8 27.497 -17.662 19.562 65 H5 CH 8 H5 CH 8 25.254 -19.044 18.575 66 H6 CH 8 H6 CH 8 24.623 -20.473 16.639 67 1H5* G 9 1H5* G 9 24.727 -24.105 18.585 68 2H5* G 9 2H5* G 9 24.391 -25.814 18.968 69 H4* G 9 H4* G 9 22.394 -23.690 18.032 70 H3* G 9 H3* G 9 23.215 -24.747 20.701 71 H2* G 9 H2* G 9 21.069 -25.034 21.493 72 2HO* G 9 2HO* G 9 20.347 -22.975 20.857 73 H1* G 9 H1* G 9 19.846 -25.854 19.160 74 H8 G 9 H8 G 9 19.307 -27.777 20.931 75 H1 G 9 H1 G 9 25.325 -29.871 20.708 76 1H2 G 9 1H2 G 9 25.937 -26.966 18.880 77 2H2 G 9 2H2 G 9 26.584 -28.434 19.576 78 1H5* C 10 1H5* C 10 21.029 -23.107 24.093 79 2H5* C 10 2H5* C 10 20.202 -21.502 24.067 80 H4* C 10 H4* C 10 21.859 -21.463 25.896 81 H3* C 10 H3* C 10 23.384 -20.154 23.597 82 H2* C 10 H2* C 10 24.875 -19.535 25.191 83 2HO* C 10 2HO* C 10 22.730 -20.048 26.923 84 H1* C 10 H1* C 10 24.916 -22.184 26.226 85 1H4 C 10 1H4 C 10 29.055 -23.774 21.971 86 2H4 C 10 2H4 C 10 29.967 -22.604 22.920 87 H5 C 10 H5 C 10 26.766 -24.175 22.336 88 H6 C 10 H6 C 10 24.692 -23.401 23.282 89 1H5* C 11 1H5* C 11 22.958 -17.966 26.318 90 2H5* C 11 2H5* C 11 22.917 -16.281 26.842 91 H4* C 11 H4* C 11 25.179 -17.150 27.189 92 H3* C 11 H3* C 11 25.111 -15.475 24.651 93 H2* C 11 H2* C 11 27.454 -15.732 24.602 94 2HO* C 11 2HO* C 11 28.629 -16.448 26.388 95 H1* C 11 H1* C 11 27.337 -18.338 25.699 96 1H4 C 11 1H4 C 11 27.661 -20.505 19.802 97 2H4 C 11 2H4 C 11 29.266 -20.169 20.248 98 H5 C 11 H5 C 11 25.685 -19.713 21.041 99 H6 C 11 H6 C 11 25.105 -18.373 22.853 100 1H5* G 12 1H5* G 12 28.158 -13.914 26.638 101 2H5* G 12 2H5* G 12 28.258 -12.132 26.550 102 H4* G 12 H4* G 12 30.379 -13.198 25.819 103 H3* G 12 H3* G 12 28.920 -12.249 23.281 104 H2* G 12 H2* G 12 30.938 -12.720 22.242 105 2HO* G 12 2HO* G 12 31.938 -12.646 24.834 106 H1* G 12 H1* G 12 31.449 -14.884 23.484 107 H8 G 12 H8 G 12 27.955 -15.465 22.477 108 H1 G 12 H1 G 12 32.672 -17.340 18.570 109 1H2 G 12 1H2 G 12 34.661 -15.318 20.604 110 2H2 G 12 2H2 G 12 34.589 -16.414 19.233 111 1H5* A 13 1H5* A 13 31.580 -8.803 21.613 112 2H5* A 13 2H5* A 13 30.401 -9.831 20.800 113 H4* A 13 H4* A 13 31.848 -10.422 19.111 114 H3* A 13 H3* A 13 33.703 -11.018 21.222 115 H2* A 13 H2* A 13 34.828 -9.017 21.241 116 2HO* A 13 2HO* A 13 36.541 -9.013 19.643 117 H1* A 13 H1* A 13 34.355 -8.348 18.355 118 H8 A 13 H8 A 13 32.607 -6.188 20.543 119 1H6 A 13 1H6 A 13 35.962 -3.075 22.060 120 2H6 A 13 2H6 A 13 37.704 -3.025 21.904 121 H2 A 13 H2 A 13 38.913 -6.773 19.729 122 1H5* C 14 1H5* C 14 34.897 -13.601 18.629 123 2H5* C 14 2H5* C 14 36.461 -13.910 17.996 124 H4* C 14 H4* C 14 35.785 -15.363 16.486 125 H3* C 14 H3* C 14 33.889 -13.187 15.598 126 H2* C 14 H2* C 14 32.314 -14.839 14.741 127 2HO* C 14 2HO* C 14 33.029 -16.888 14.265 128 H1* C 14 H1* C 14 32.705 -16.742 16.461 129 1H4 C 14 1H4 C 14 28.503 -13.577 20.231 130 2H4 C 14 2H4 C 14 27.512 -14.499 19.125 131 H5 C 14 H5 C 14 30.875 -13.310 19.905 132 H6 C 14 H6 C 14 32.723 -13.871 18.465 133 1H5* C 15 1H5* C 15 34.414 -14.196 10.654 134 2H5* C 15 2H5* C 15 33.643 -12.644 10.428 135 H4* C 15 H4* C 15 32.595 -15.202 9.856 136 H3* C 15 H3* C 15 31.138 -12.596 10.177 137 H2* C 15 H2* C 15 29.195 -13.642 9.647 138 2HO* C 15 2HO* C 15 29.149 -15.563 8.830 139 H1* C 15 H1* C 15 29.557 -15.918 11.174 140 1H4 C 15 1H4 C 15 28.179 -12.417 16.501 141 2H4 C 15 2H4 C 15 26.612 -12.943 15.954 142 H5 C 15 H5 C 15 30.085 -12.635 15.374 143 H6 C 15 H6 C 15 31.206 -13.348 13.341 144 1H5* A 16 1H5* A 16 28.514 -13.080 5.734 145 2H5* A 16 2H5* A 16 29.088 -11.912 6.912 146 H4* A 16 H4* A 16 26.490 -13.443 6.786 147 H3* A 16 H3* A 16 27.102 -10.563 7.482 148 H2* A 16 H2* A 16 25.154 -10.709 9.128 149 2HO* A 16 2HO* A 16 24.319 -12.564 7.118 150 H1* A 16 H1* A 16 25.193 -13.252 9.516 151 H8 A 16 H8 A 16 28.527 -11.871 10.772 152 1H6 A 16 1H6 A 16 26.961 -10.918 15.305 153 2H6 A 16 2H6 A 16 25.345 -10.685 16.003 154 H2 A 16 H2 A 16 22.427 -11.238 12.654 155 1H5* C 17 1H5* C 17 23.543 -7.455 6.079 156 2H5* C 17 2H5* C 17 25.214 -7.481 6.681 157 H4* C 17 H4* C 17 22.622 -8.054 8.207 158 H3* C 17 H3* C 17 24.634 -5.818 8.677 159 H2* C 17 H2* C 17 23.728 -5.693 10.826 160 2HO* C 17 2HO* C 17 21.761 -6.792 11.337 161 H1* C 17 H1* C 17 23.087 -8.365 10.932 162 1H4 C 17 1H4 C 17 28.245 -8.767 14.721 163 2H4 C 17 2H4 C 17 26.892 -8.298 15.686 164 H5 C 17 H5 C 17 28.173 -8.683 12.046 165 H6 C 17 H6 C 17 26.653 -8.391 10.277 166 1H5* U 18 1H5* U 18 22.226 -1.178 9.517 167 2H5* U 18 2H5* U 18 23.808 -1.948 9.405 168 H4* U 18 H4* U 18 21.713 -3.010 11.322 169 H3* U 18 H3* U 18 22.977 -0.464 11.747 170 H2* U 18 H2* U 18 24.572 -1.378 13.416 171 2HO* U 18 2HO* U 18 21.930 -1.650 14.296 172 H1* U 18 H1* U 18 22.883 -3.614 13.609 173 H3 U 18 H3 U 18 25.969 -4.807 16.625 174 H5 U 18 H5 U 18 27.609 -5.357 12.820 175 H6 U 18 H6 U 18 25.945 -3.975 11.944 176 1H5* U 19 1H5* U 19 18.619 -2.081 12.430 177 2H5* U 19 2H5* U 19 17.414 -0.856 11.990 178 H4* U 19 H4* U 19 16.648 -2.106 14.069 179 H3* U 19 H3* U 19 16.489 0.680 14.111 180 H2* U 19 H2* U 19 18.949 0.844 15.110 181 2HO* U 19 2HO* U 19 18.375 1.750 17.098 182 H1* U 19 H1* U 19 17.694 -1.105 16.997 183 H3 U 19 H3 U 19 21.131 -1.115 19.903 184 H5 U 19 H5 U 19 23.023 -0.465 16.172 185 H6 U 19 H6 U 19 20.914 -0.488 15.171 186 1H5* A 20 1H5* A 20 14.440 -0.860 12.301 187 2H5* A 20 2H5* A 20 12.842 -1.517 12.715 188 H4* A 20 H4* A 20 14.162 -2.866 10.930 189 H3* A 20 H3* A 20 13.298 -4.107 13.590 190 H2* A 20 H2* A 20 14.150 -6.157 13.004 191 2HO* A 20 2HO* A 20 14.302 -6.807 10.943 192 H1* A 20 H1* A 20 16.317 -5.171 11.520 193 H8 A 20 H8 A 20 14.835 -5.603 15.022 194 1H6 A 20 1H6 A 20 20.601 -5.860 17.139 195 2H6 A 20 2H6 A 20 18.914 -6.059 17.546 196 H2 A 20 H2 A 20 20.779 -4.809 12.777 197 1H5* A 21 1H5* A 21 12.713 -6.595 9.625 198 2H5* A 21 2H5* A 21 11.190 -7.452 9.935 199 H4* A 21 H4* A 21 12.915 -9.041 9.212 200 H3* A 21 H3* A 21 11.827 -9.174 12.007 201 H2* A 21 H2* A 21 13.586 -10.289 12.908 202 2HO* A 21 2HO* A 21 13.974 -11.667 10.488 203 H1* A 21 H1* A 21 15.411 -10.343 10.818 204 H8 A 21 H8 A 21 15.114 -9.563 14.312 205 1H6 A 21 1H6 A 21 20.737 -7.112 13.784 206 2H6 A 21 2H6 A 21 19.553 -7.741 14.907 207 H2 A 21 H2 A 21 19.041 -7.533 9.683 208 1H5* A 22 1H5* A 22 12.186 -14.097 7.771 209 2H5* A 22 2H5* A 22 13.595 -14.399 8.783 210 H4* A 22 H4* A 22 13.263 -12.075 6.801 211 H3* A 22 H3* A 22 14.613 -14.635 6.696 212 H2* A 22 H2* A 22 16.677 -13.936 7.295 213 2HO* A 22 2HO* A 22 17.623 -12.323 5.768 214 H1* A 22 H1* A 22 16.097 -11.023 6.978 215 H8 A 22 H8 A 22 16.245 -12.712 10.429 216 1H6 A 22 1H6 A 22 22.110 -10.782 10.679 217 2H6 A 22 2H6 A 22 20.813 -11.516 11.595 218 H2 A 22 H2 A 22 20.683 -9.942 6.724 219 1H5* A 23 1H5* A 23 16.015 -17.021 3.965 220 2H5* A 23 2H5* A 23 15.417 -16.306 5.510 221 H4* A 23 H4* A 23 18.327 -16.080 4.386 222 H3* A 23 H3* A 23 17.740 -18.100 6.735 223 H2* A 23 H2* A 23 20.144 -17.807 7.242 224 2HO* A 23 2HO* A 23 20.938 -17.945 5.316 225 H1* A 23 H1* A 23 20.121 -15.126 6.227 226 H8 A 23 H8 A 23 17.551 -14.903 9.070 227 1H6 A 23 1H6 A 23 20.723 -12.995 12.130 228 2H6 A 23 2H6 A 23 22.449 -13.016 12.215 229 H2 A 23 H2 A 23 23.907 -14.711 8.334 230 1H5* A 24 1H5* A 24 23.221 -19.086 5.361 231 2H5* A 24 2H5* A 24 22.194 -18.725 3.983 232 H4* A 24 H4* A 24 22.258 -20.792 3.234 233 H3* A 24 H3* A 24 21.539 -21.588 5.758 234 H2* A 24 H2* A 24 23.431 -22.428 6.889 235 2HO* A 24 2HO* A 24 24.766 -23.952 5.849 236 H1* A 24 H1* A 24 25.567 -21.898 5.261 237 H8 A 24 H8 A 24 22.896 -20.409 7.582 238 1H6 A 24 1H6 A 24 27.113 -16.602 9.783 239 2H6 A 24 2H6 A 24 25.549 -17.332 10.035 240 H2 A 24 H2 A 24 28.714 -18.351 5.935 241 1H5* C 25 1H5* C 25 21.956 -23.989 7.370 242 2H5* C 25 2H5* C 25 23.546 -24.632 6.955 243 H4* C 25 H4* C 25 21.624 -25.602 8.830 244 H3* C 25 H3* C 25 24.316 -26.750 7.963 245 H2* C 25 H2* C 25 23.853 -28.605 9.237 246 2HO* C 25 2HO* C 25 23.243 -27.374 11.101 247 H1* C 25 H1* C 25 21.093 -28.654 8.854 248 1H4 C 25 1H4 C 25 24.044 -32.211 4.117 249 2H4 C 25 2H4 C 25 23.459 -33.379 5.279 250 H5 C 25 H5 C 25 23.714 -29.806 4.384 251 H6 C 25 H6 C 25 23.225 -28.073 6.025 252 1H5* A 26 1H5* A 26 28.262 -26.046 10.424 253 2H5* A 26 2H5* A 26 27.753 -24.433 10.895 254 H4* A 26 H4* A 26 29.007 -25.320 8.294 255 H3* A 26 H3* A 26 29.847 -23.791 10.666 256 H2* A 26 H2* A 26 30.390 -21.813 9.668 257 2HO* A 26 2HO* A 26 31.916 -22.359 8.264 258 H1* A 26 H1* A 26 28.812 -21.751 7.431 259 H8 A 26 H8 A 26 26.343 -22.501 9.987 260 1H6 A 26 1H6 A 26 27.438 -17.034 12.743 261 2H6 A 26 2H6 A 26 26.447 -18.468 12.829 262 H2 A 26 H2 A 26 30.477 -17.662 9.524 263 1H5* C 27 1H5* C 27 33.109 -23.513 8.944 264 2H5* C 27 2H5* C 27 34.671 -24.254 9.343 265 H4* C 27 H4* C 27 34.992 -21.844 9.356 266 H3* C 27 H3* C 27 34.630 -22.470 12.247 267 H2* C 27 H2* C 27 34.965 -20.192 12.582 268 2HO* C 27 2HO* C 27 36.344 -20.240 10.097 269 H1* C 27 H1* C 27 34.174 -19.481 9.877 270 1H4 C 27 1H4 C 27 29.483 -16.798 13.568 271 2H4 C 27 2H4 C 27 30.678 -15.551 13.293 272 H5 C 27 H5 C 27 29.917 -19.034 13.225 273 H6 C 27 H6 C 27 31.222 -20.680 11.808 274 1H5* C 28 1H5* C 28 38.684 -22.486 14.971 275 2H5* C 28 2H5* C 28 37.053 -21.935 15.374 276 H4* C 28 H4* C 28 39.547 -20.244 14.979 277 H3* C 28 H3* C 28 37.991 -21.243 17.266 278 H2* C 28 H2* C 28 37.298 -19.276 18.191 279 2HO* C 28 2HO* C 28 39.572 -18.066 16.965 280 H1* C 28 H1* C 28 37.278 -17.475 16.085 281 1H4 C 28 1H4 C 28 31.464 -20.615 16.791 282 2H4 C 28 2H4 C 28 31.392 -19.255 17.882 283 H5 C 28 H5 C 28 33.302 -21.221 15.583 284 H6 C 28 H6 C 28 35.546 -20.486 14.683 285 1H5* G 29 1H5* G 29 40.172 -19.255 19.152 286 2H5* G 29 2H5* G 29 41.082 -19.548 20.648 287 H4* G 29 H4* G 29 39.057 -18.111 20.940 288 H3* G 29 H3* G 29 38.711 -20.815 22.290 289 H2* G 29 H2* G 29 36.551 -20.315 22.770 290 2HO* G 29 2HO* G 29 37.687 -17.945 23.449 291 H1* G 29 H1* G 29 36.376 -18.059 20.934 292 H8 G 29 H8 G 29 35.923 -20.947 18.601 293 H1 G 29 H1 G 29 30.452 -19.310 21.590 294 1H2 G 29 1H2 G 29 32.739 -17.765 24.001 295 2H2 G 29 2H2 G 29 31.074 -18.083 23.566 296 1H5* G 30 1H5* G 30 38.178 -16.308 25.054 297 2H5* G 30 2H5* G 30 38.769 -17.128 26.515 298 H4* G 30 H4* G 30 36.698 -15.574 26.680 299 H3* G 30 H3* G 30 36.876 -18.370 27.756 300 H2* G 30 H2* G 30 34.603 -18.371 28.440 301 2HO* G 30 2HO* G 30 35.087 -15.694 28.638 302 H1* G 30 H1* G 30 33.575 -16.861 26.404 303 H8 G 30 H8 G 30 35.841 -19.436 24.659 304 H1 G 30 H1 G 30 29.647 -20.902 24.647 305 1H2 G 30 1H2 G 30 29.306 -18.451 27.129 306 2H2 G 30 2H2 G 30 28.532 -19.647 26.107 Start of MODEL 11 1 1H5* A 3 1H5* A 3 21.773 -6.629 26.369 2 2H5* A 3 2H5* A 3 20.137 -6.256 26.899 3 H4* A 3 H4* A 3 19.741 -5.198 25.015 4 H3* A 3 H3* A 3 20.316 -7.656 23.210 5 H2* A 3 H2* A 3 20.194 -6.136 21.434 6 2HO* A 3 2HO* A 3 18.777 -4.662 21.396 7 H1* A 3 H1* A 3 21.598 -3.949 22.953 8 H8 A 3 H8 A 3 24.017 -6.017 23.210 9 1H6 A 3 1H6 A 3 26.700 -5.576 19.264 10 2H6 A 3 2H6 A 3 26.326 -5.167 17.574 11 H2 A 3 H2 A 3 21.906 -4.347 17.422 12 1H5* G 4 1H5* G 4 17.699 -6.144 21.947 13 2H5* G 4 2H5* G 4 16.049 -6.139 21.306 14 H4* G 4 H4* G 4 17.318 -5.597 19.456 15 H3* G 4 H3* G 4 17.857 -8.687 19.218 16 H2* G 4 H2* G 4 19.549 -8.296 17.656 17 2HO* G 4 2HO* G 4 17.917 -6.133 16.999 18 H1* G 4 H1* G 4 20.173 -5.738 18.452 19 H8 G 4 H8 G 4 21.836 -7.784 21.152 20 H1 G 4 H1 G 4 24.159 -7.677 15.180 21 1H2 G 4 1H2 G 4 20.758 -6.749 14.837 22 2H2 G 4 2H2 G 4 22.234 -7.092 14.000 23 1H5* U 5 1H5* U 5 15.328 -9.694 13.913 24 2H5* U 5 2H5* U 5 14.087 -10.067 15.052 25 H4* U 5 H4* U 5 15.899 -11.518 15.161 26 H3* U 5 H3* U 5 15.759 -9.985 17.713 27 H2* U 5 H2* U 5 17.794 -9.471 17.052 28 2HO* U 5 2HO* U 5 17.389 -10.499 19.180 29 H1* U 5 H1* U 5 18.135 -11.993 16.066 30 H3 U 5 H3 U 5 22.414 -10.781 14.620 31 H5 U 5 H5 U 5 21.938 -10.981 18.839 32 H6 U 5 H6 U 5 19.731 -10.792 18.525 33 1H5* G 6 1H5* G 6 15.615 -13.684 14.930 34 2H5* G 6 2H5* G 6 15.463 -15.392 14.882 35 H4* G 6 H4* G 6 17.246 -14.453 13.468 36 H3* G 6 H3* G 6 18.073 -16.305 15.698 37 H2* G 6 H2* G 6 20.141 -16.476 14.499 38 2HO* G 6 2HO* G 6 20.303 -15.375 12.437 39 H1* G 6 H1* G 6 20.140 -13.958 13.689 40 H8 G 6 H8 G 6 20.065 -13.704 17.562 41 H1 G 6 H1 G 6 25.754 -13.690 14.522 42 1H2 G 6 1H2 G 6 23.935 -14.950 11.767 43 2H2 G 6 2H2 G 6 25.487 -14.450 12.409 44 1H5* G 7 1H5* G 7 19.561 -19.396 16.904 45 2H5* G 7 2H5* G 7 19.563 -17.641 16.617 46 H4* G 7 H4* G 7 20.175 -19.212 14.205 47 H3* G 7 H3* G 7 21.820 -19.683 16.699 48 H2* G 7 H2* G 7 23.770 -19.650 15.170 49 2HO* G 7 2HO* G 7 23.516 -19.486 13.047 50 H1* G 7 H1* G 7 23.322 -17.438 14.247 51 H8 G 7 H8 G 7 21.412 -16.691 17.342 52 H1 G 7 H1 G 7 27.733 -15.425 17.821 53 1H2 G 7 1H2 G 7 27.752 -17.492 14.836 54 2H2 G 7 2H2 G 7 28.671 -16.532 15.967 55 1H5* CH 8 1H5* CH 8 22.777 -22.734 14.255 56 2H5* CH 8 2H5* CH 8 23.212 -24.369 14.713 57 H4* CH 8 H4* CH 8 25.223 -23.225 13.648 58 H3* CH 8 H3* CH 8 25.450 -23.015 16.826 59 H2* CH 8 H2* CH 8 27.844 -22.439 16.202 60 2HO* CH 8 2HO* CH 8 26.963 -22.917 13.484 61 H1* CH 8 H1* CH 8 27.248 -20.970 14.461 62 HN3 CH 8 HN3 CH 8 29.340 -18.857 17.831 63 1H4 CH 8 1H4 CH 8 27.037 -17.338 19.936 64 2H4 CH 8 2H4 CH 8 28.718 -17.380 19.656 65 H5 CH 8 H5 CH 8 25.258 -18.624 18.906 66 H6 CH 8 H6 CH 8 24.772 -20.147 17.060 67 1H5* G 9 1H5* G 9 22.989 -27.343 17.383 68 2H5* G 9 2H5* G 9 22.095 -25.868 17.830 69 H4* G 9 H4* G 9 23.013 -27.191 19.765 70 H3* G 9 H3* G 9 23.580 -24.350 19.208 71 H2* G 9 H2* G 9 25.589 -24.279 20.120 72 2HO* G 9 2HO* G 9 24.214 -24.239 22.118 73 H1* G 9 H1* G 9 25.382 -27.102 21.187 74 H8 G 9 H8 G 9 27.600 -25.392 18.448 75 H1 G 9 H1 G 9 30.759 -28.597 22.954 76 1H2 G 9 1H2 G 9 27.609 -29.163 24.333 77 2H2 G 9 2H2 G 9 29.337 -29.405 24.452 78 1H5* C 10 1H5* C 10 22.693 -24.433 23.951 79 2H5* C 10 2H5* C 10 21.721 -22.992 24.147 80 H4* C 10 H4* C 10 23.406 -22.988 25.956 81 H3* C 10 H3* C 10 24.858 -21.252 23.916 82 H2* C 10 H2* C 10 26.315 -20.793 25.504 83 2HO* C 10 2HO* C 10 26.049 -21.539 27.610 84 H1* C 10 H1* C 10 26.494 -23.555 26.117 85 1H4 C 10 1H4 C 10 29.847 -24.833 20.807 86 2H4 C 10 2H4 C 10 31.091 -24.305 21.932 87 H5 C 10 H5 C 10 27.516 -24.440 21.172 88 H6 C 10 H6 C 10 25.885 -24.006 22.671 89 1H5* C 11 1H5* C 11 24.261 -16.216 26.832 90 2H5* C 11 2H5* C 11 24.181 -16.373 25.043 91 H4* C 11 H4* C 11 26.245 -17.659 26.989 92 H3* C 11 H3* C 11 26.950 -15.293 25.129 93 H2* C 11 H2* C 11 28.714 -16.413 24.344 94 2HO* C 11 2HO* C 11 29.154 -16.498 26.987 95 H1* C 11 H1* C 11 28.172 -18.942 25.702 96 1H4 C 11 1H4 C 11 29.013 -21.563 20.099 97 2H4 C 11 2H4 C 11 30.581 -21.235 20.668 98 H5 C 11 H5 C 11 26.925 -20.538 21.092 99 H6 C 11 H6 C 11 26.258 -19.070 22.764 100 1H5* G 12 1H5* G 12 28.030 -11.407 26.026 101 2H5* G 12 2H5* G 12 27.303 -12.882 25.288 102 H4* G 12 H4* G 12 30.304 -12.530 26.045 103 H3* G 12 H3* G 12 29.386 -11.759 23.167 104 H2* G 12 H2* G 12 31.449 -12.300 22.627 105 2HO* G 12 2HO* G 12 32.075 -12.073 25.300 106 H1* G 12 H1* G 12 31.740 -14.492 23.900 107 H8 G 12 H8 G 12 28.298 -14.858 22.843 108 H1 G 12 H1 G 12 32.636 -17.339 19.011 109 1H2 G 12 1H2 G 12 35.008 -15.468 20.821 110 2H2 G 12 2H2 G 12 34.719 -16.625 19.530 111 1H5* A 13 1H5* A 13 33.698 -10.087 21.735 112 2H5* A 13 2H5* A 13 33.135 -8.406 21.817 113 H4* A 13 H4* A 13 32.452 -10.344 19.506 114 H3* A 13 H3* A 13 34.907 -8.871 19.922 115 H2* A 13 H2* A 13 34.212 -6.870 19.114 116 2HO* A 13 2HO* A 13 34.145 -6.952 16.712 117 H1* A 13 H1* A 13 32.119 -8.157 17.394 118 H8 A 13 H8 A 13 30.826 -5.938 20.038 119 1H6 A 13 1H6 A 13 31.625 -1.090 16.342 120 2H6 A 13 2H6 A 13 30.945 -1.646 17.855 121 H2 A 13 H2 A 13 33.630 -4.634 14.437 122 1H5* C 14 1H5* C 14 35.510 -13.903 19.016 123 2H5* C 14 2H5* C 14 36.806 -13.780 17.842 124 H4* C 14 H4* C 14 35.822 -15.482 16.797 125 H3* C 14 H3* C 14 34.078 -13.128 16.118 126 H2* C 14 H2* C 14 32.337 -14.615 15.247 127 2HO* C 14 2HO* C 14 32.849 -16.688 14.710 128 H1* C 14 H1* C 14 32.572 -16.531 16.975 129 1H4 C 14 1H4 C 14 28.647 -13.187 20.713 130 2H4 C 14 2H4 C 14 27.665 -14.139 19.617 131 H5 C 14 H5 C 14 31.143 -12.928 20.343 132 H6 C 14 H6 C 14 32.970 -13.589 18.868 133 1H5* C 15 1H5* C 15 34.330 -14.934 11.641 134 2H5* C 15 2H5* C 15 34.285 -13.377 10.814 135 H4* C 15 H4* C 15 32.584 -15.265 10.238 136 H3* C 15 H3* C 15 31.803 -12.349 10.410 137 H2* C 15 H2* C 15 29.666 -12.974 9.805 138 2HO* C 15 2HO* C 15 29.401 -14.698 8.742 139 H1* C 15 H1* C 15 29.425 -15.314 11.228 140 1H4 C 15 1H4 C 15 28.491 -12.356 16.859 141 2H4 C 15 2H4 C 15 26.894 -12.852 16.369 142 H5 C 15 H5 C 15 30.330 -12.432 15.616 143 H6 C 15 H6 C 15 31.377 -13.014 13.496 144 1H5* A 16 1H5* A 16 29.638 -11.575 6.106 145 2H5* A 16 2H5* A 16 29.782 -10.713 7.576 146 H4* A 16 H4* A 16 27.390 -11.860 6.272 147 H3* A 16 H3* A 16 27.718 -9.321 7.932 148 H2* A 16 H2* A 16 25.379 -9.563 8.656 149 2HO* A 16 2HO* A 16 23.951 -10.815 7.440 150 H1* A 16 H1* A 16 25.163 -12.164 8.642 151 H8 A 16 H8 A 16 28.321 -11.428 10.599 152 1H6 A 16 1H6 A 16 26.481 -11.500 14.780 153 2H6 A 16 2H6 A 16 24.872 -11.326 15.479 154 H2 A 16 H2 A 16 22.109 -10.826 11.988 155 1H5* C 17 1H5* C 17 24.594 -8.457 6.102 156 2H5* C 17 2H5* C 17 24.213 -6.762 5.815 157 H4* C 17 H4* C 17 22.870 -7.947 7.625 158 H3* C 17 H3* C 17 24.344 -5.369 8.252 159 H2* C 17 H2* C 17 23.927 -5.577 10.464 160 2HO* C 17 2HO* C 17 21.491 -6.394 9.467 161 H1* C 17 H1* C 17 23.065 -8.116 10.404 162 1H4 C 17 1H4 C 17 27.700 -8.806 14.780 163 2H4 C 17 2H4 C 17 26.209 -8.428 15.560 164 H5 C 17 H5 C 17 28.021 -8.495 12.081 165 H6 C 17 H6 C 17 26.718 -8.031 10.147 166 1H5* U 18 1H5* U 18 19.245 -2.748 10.276 167 2H5* U 18 2H5* U 18 20.150 -1.919 9.120 168 H4* U 18 H4* U 18 20.493 -1.624 11.699 169 H3* U 18 H3* U 18 22.349 -1.301 9.573 170 H2* U 18 H2* U 18 22.898 -3.656 10.174 171 2HO* U 18 2HO* U 18 24.717 -3.248 9.661 172 H1* U 18 H1* U 18 22.589 -2.378 12.971 173 H3 U 18 H3 U 18 24.358 -4.561 16.215 174 H5 U 18 H5 U 18 27.088 -4.428 12.999 175 H6 U 18 H6 U 18 25.364 -3.835 11.558 176 1H5* U 19 1H5* U 19 18.001 0.122 10.888 177 2H5* U 19 2H5* U 19 18.738 1.667 11.139 178 H4* U 19 H4* U 19 17.387 -0.053 13.199 179 H3* U 19 H3* U 19 17.852 2.671 13.300 180 H2* U 19 H2* U 19 20.337 2.198 14.390 181 2HO* U 19 2HO* U 19 18.334 2.345 16.471 182 H1* U 19 H1* U 19 18.616 0.267 15.861 183 H3 U 19 H3 U 19 22.023 -0.392 18.830 184 H5 U 19 H5 U 19 23.827 -0.708 15.017 185 H6 U 19 H6 U 19 21.753 -0.206 14.049 186 1H5* A 20 1H5* A 20 14.318 0.463 11.932 187 2H5* A 20 2H5* A 20 13.073 -0.145 13.020 188 H4* A 20 H4* A 20 14.457 -1.598 11.092 189 H3* A 20 H3* A 20 12.565 -2.313 12.952 190 H2* A 20 H2* A 20 13.820 -3.704 14.463 191 2HO* A 20 2HO* A 20 14.863 -5.575 13.165 192 H1* A 20 H1* A 20 16.222 -3.942 12.665 193 H8 A 20 H8 A 20 14.873 -2.765 16.151 194 1H6 A 20 1H6 A 20 18.871 -3.284 18.688 195 2H6 A 20 2H6 A 20 20.534 -3.616 18.281 196 H2 A 20 H2 A 20 20.670 -3.975 13.768 197 1H5* A 21 1H5* A 21 13.267 -6.201 8.566 198 2H5* A 21 2H5* A 21 11.749 -6.641 9.357 199 H4* A 21 H4* A 21 13.082 -8.635 8.475 200 H3* A 21 H3* A 21 12.163 -8.355 11.294 201 H2* A 21 H2* A 21 13.851 -9.587 12.284 202 2HO* A 21 2HO* A 21 14.133 -11.266 10.082 203 H1* A 21 H1* A 21 15.618 -10.036 10.222 204 H8 A 21 H8 A 21 14.651 -7.514 12.921 205 1H6 A 21 1H6 A 21 20.815 -6.643 13.134 206 2H6 A 21 2H6 A 21 19.352 -6.373 14.033 207 H2 A 21 H2 A 21 19.890 -9.457 9.934 208 1H5* A 22 1H5* A 22 12.365 -13.858 8.075 209 2H5* A 22 2H5* A 22 13.675 -14.027 9.220 210 H4* A 22 H4* A 22 13.666 -12.167 6.771 211 H3* A 22 H3* A 22 14.828 -14.846 7.443 212 H2* A 22 H2* A 22 16.916 -14.173 7.628 213 2HO* A 22 2HO* A 22 17.817 -13.014 5.702 214 H1* A 22 H1* A 22 16.507 -11.406 6.664 215 H8 A 22 H8 A 22 16.838 -12.855 10.270 216 1H6 A 22 1H6 A 22 21.609 -12.255 10.748 217 2H6 A 22 2H6 A 22 22.821 -11.494 9.741 218 H2 A 22 H2 A 22 20.950 -10.048 6.178 219 1H5* A 23 1H5* A 23 17.363 -14.068 3.797 220 2H5* A 23 2H5* A 23 16.942 -15.500 2.839 221 H4* A 23 H4* A 23 19.245 -15.637 2.800 222 H3* A 23 H3* A 23 18.605 -16.972 5.500 223 H2* A 23 H2* A 23 21.115 -17.524 5.565 224 2HO* A 23 2HO* A 23 21.331 -17.933 3.423 225 H1* A 23 H1* A 23 21.784 -14.974 4.747 226 H8 A 23 H8 A 23 18.856 -15.167 7.326 227 1H6 A 23 1H6 A 23 21.554 -14.133 11.278 228 2H6 A 23 2H6 A 23 23.234 -13.706 11.447 229 H2 A 23 H2 A 23 25.114 -14.064 7.360 230 1H5* A 24 1H5* A 24 22.151 -20.931 3.782 231 2H5* A 24 2H5* A 24 20.952 -21.663 4.865 232 H4* A 24 H4* A 24 23.387 -21.639 5.811 233 H3* A 24 H3* A 24 21.026 -21.058 7.389 234 H2* A 24 H2* A 24 22.190 -19.736 8.709 235 2HO* A 24 2HO* A 24 22.847 -21.713 9.684 236 H1* A 24 H1* A 24 24.833 -20.140 7.361 237 H8 A 24 H8 A 24 22.331 -17.557 8.945 238 1H6 A 24 1H6 A 24 25.589 -14.350 10.290 239 2H6 A 24 2H6 A 24 27.263 -14.077 9.863 240 H2 A 24 H2 A 24 28.351 -17.175 6.852 241 1H5* C 25 1H5* C 25 19.293 -22.943 8.694 242 2H5* C 25 2H5* C 25 21.028 -22.698 8.981 243 H4* C 25 H4* C 25 19.908 -23.594 10.995 244 H3* C 25 H3* C 25 21.796 -25.508 9.594 245 H2* C 25 H2* C 25 21.504 -26.921 11.499 246 2HO* C 25 2HO* C 25 21.827 -25.055 12.929 247 H1* C 25 H1* C 25 18.848 -26.201 11.950 248 1H4 C 25 1H4 C 25 18.556 -32.090 9.572 249 2H4 C 25 2H4 C 25 18.993 -31.494 7.986 250 H5 C 25 H5 C 25 19.491 -29.158 7.542 251 H6 C 25 H6 C 25 19.953 -26.996 8.591 252 1H5* A 26 1H5* A 26 26.602 -24.855 11.099 253 2H5* A 26 2H5* A 26 26.403 -23.156 11.488 254 H4* A 26 H4* A 26 27.254 -24.383 8.859 255 H3* A 26 H3* A 26 28.586 -23.061 11.096 256 H2* A 26 H2* A 26 29.203 -21.084 10.170 257 2HO* A 26 2HO* A 26 30.672 -21.805 8.758 258 H1* A 26 H1* A 26 27.677 -20.798 7.889 259 H8 A 26 H8 A 26 25.167 -21.104 10.593 260 1H6 A 26 1H6 A 26 25.933 -16.955 13.048 261 2H6 A 26 2H6 A 26 27.114 -15.682 12.853 262 H2 A 26 H2 A 26 29.909 -16.995 9.572 263 1H5* C 27 1H5* C 27 31.934 -23.351 9.176 264 2H5* C 27 2H5* C 27 33.271 -24.394 9.688 265 H4* C 27 H4* C 27 34.012 -22.043 9.695 266 H3* C 27 H3* C 27 33.570 -22.654 12.590 267 H2* C 27 H2* C 27 34.289 -20.458 12.939 268 2HO* C 27 2HO* C 27 36.276 -20.781 11.898 269 H1* C 27 H1* C 27 33.624 -19.598 10.250 270 1H4 C 27 1H4 C 27 30.765 -15.159 13.591 271 2H4 C 27 2H4 C 27 29.399 -16.207 13.883 272 H5 C 27 H5 C 27 29.511 -18.442 13.622 273 H6 C 27 H6 C 27 30.533 -20.324 12.233 274 1H5* C 28 1H5* C 28 37.860 -23.221 15.121 275 2H5* C 28 2H5* C 28 36.304 -22.505 15.576 276 H4* C 28 H4* C 28 38.927 -21.052 15.055 277 H3* C 28 H3* C 28 37.436 -21.936 17.427 278 H2* C 28 H2* C 28 36.907 -19.943 18.380 279 2HO* C 28 2HO* C 28 38.941 -19.238 18.787 280 H1* C 28 H1* C 28 37.040 -18.103 16.269 281 1H4 C 28 1H4 C 28 30.893 -20.387 17.338 282 2H4 C 28 2H4 C 28 31.096 -19.071 18.477 283 H5 C 28 H5 C 28 32.517 -21.163 15.952 284 H6 C 28 H6 C 28 34.843 -20.882 15.027 285 1H5* G 29 1H5* G 29 41.043 -20.862 19.557 286 2H5* G 29 2H5* G 29 41.753 -22.076 20.630 287 H4* G 29 H4* G 29 40.683 -20.014 21.733 288 H3* G 29 H3* G 29 39.270 -22.605 22.492 289 H2* G 29 H2* G 29 37.896 -21.307 23.917 290 2HO* G 29 2HO* G 29 38.328 -19.114 24.300 291 H1* G 29 H1* G 29 37.541 -19.240 22.031 292 H8 G 29 H8 G 29 37.358 -22.314 19.827 293 H1 G 29 H1 G 29 31.670 -20.300 22.051 294 1H2 G 29 1H2 G 29 33.771 -18.621 24.546 295 2H2 G 29 2H2 G 29 32.147 -18.921 23.971 296 1H5* G 30 1H5* G 30 40.892 -21.078 25.832 297 2H5* G 30 2H5* G 30 41.197 -21.901 27.375 298 H4* G 30 H4* G 30 39.074 -20.503 27.183 299 H3* G 30 H3* G 30 38.926 -23.443 27.864 300 H2* G 30 H2* G 30 36.600 -23.387 27.843 301 2HO* G 30 2HO* G 30 35.474 -21.377 28.220 302 H1* G 30 H1* G 30 36.413 -20.982 26.246 303 H8 G 30 H8 G 30 37.662 -23.491 23.708 304 H1 G 30 H1 G 30 31.311 -23.244 24.162 305 1H2 G 30 1H2 G 30 31.756 -21.764 27.303 306 2H2 G 30 2H2 G 30 30.642 -22.327 26.070 Start of MODEL 12 1 1H5* A 3 1H5* A 3 25.677 -3.473 26.649 2 2H5* A 3 2H5* A 3 23.995 -3.782 27.205 3 H4* A 3 H4* A 3 23.836 -2.188 25.476 4 H3* A 3 H3* A 3 23.498 -4.787 23.798 5 H2* A 3 H2* A 3 23.054 -3.387 21.993 6 2HO* A 3 2HO* A 3 22.444 -1.316 22.145 7 H1* A 3 H1* A 3 25.336 -1.788 22.490 8 H8 A 3 H8 A 3 26.853 -4.679 23.059 9 1H6 A 3 1H6 A 3 27.812 -5.892 18.447 10 2H6 A 3 2H6 A 3 27.040 -5.454 16.913 11 H2 A 3 H2 A 3 23.650 -2.712 17.936 12 1H5* G 4 1H5* G 4 20.485 -3.709 23.113 13 2H5* G 4 2H5* G 4 18.814 -4.244 23.378 14 H4* G 4 H4* G 4 19.055 -4.066 21.058 15 H3* G 4 H3* G 4 20.146 -7.031 21.254 16 H2* G 4 H2* G 4 20.272 -6.974 18.839 17 2HO* G 4 2HO* G 4 18.523 -4.746 19.222 18 H1* G 4 H1* G 4 21.234 -4.441 18.778 19 H8 G 4 H8 G 4 23.386 -5.876 21.332 20 H1 G 4 H1 G 4 24.634 -7.205 15.147 21 1H2 G 4 1H2 G 4 21.178 -6.178 14.984 22 2H2 G 4 2H2 G 4 22.574 -6.723 14.101 23 1H5* U 5 1H5* U 5 16.580 -7.371 19.053 24 2H5* U 5 2H5* U 5 15.420 -8.640 19.471 25 H4* U 5 H4* U 5 15.874 -8.776 17.096 26 H3* U 5 H3* U 5 17.587 -10.976 18.394 27 H2* U 5 H2* U 5 18.069 -11.639 16.154 28 2HO* U 5 2HO* U 5 17.082 -10.536 14.396 29 H1* U 5 H1* U 5 18.440 -9.143 15.247 30 H3 U 5 H3 U 5 22.631 -10.346 15.005 31 H5 U 5 H5 U 5 22.171 -9.047 18.942 32 H6 U 5 H6 U 5 19.714 -9.089 18.595 33 1H5* G 6 1H5* G 6 15.722 -12.669 15.421 34 2H5* G 6 2H5* G 6 15.161 -14.348 15.580 35 H4* G 6 H4* G 6 16.707 -14.051 13.745 36 H3* G 6 H3* G 6 17.899 -15.592 16.036 37 H2* G 6 H2* G 6 19.648 -16.158 14.457 38 2HO* G 6 2HO* G 6 19.451 -15.349 12.277 39 H1* G 6 H1* G 6 19.733 -13.681 13.415 40 H8 G 6 H8 G 6 19.769 -13.143 17.177 41 H1 G 6 H1 G 6 25.486 -13.625 14.347 42 1H2 G 6 1H2 G 6 23.662 -15.083 11.704 43 2H2 G 6 2H2 G 6 25.225 -14.591 12.324 44 1H5* G 7 1H5* G 7 19.125 -18.998 17.321 45 2H5* G 7 2H5* G 7 19.063 -17.263 16.872 46 H4* G 7 H4* G 7 19.711 -18.941 14.594 47 H3* G 7 H3* G 7 21.391 -19.385 17.096 48 H2* G 7 H2* G 7 23.398 -19.196 15.597 49 2HO* G 7 2HO* G 7 23.171 -19.222 13.470 50 H1* G 7 H1* G 7 22.744 -17.109 14.514 51 H8 G 7 H8 G 7 21.073 -16.197 17.680 52 H1 G 7 H1 G 7 27.464 -15.319 17.671 53 1H2 G 7 1H2 G 7 27.191 -17.538 14.828 54 2H2 G 7 2H2 G 7 28.220 -16.578 15.869 55 1H5* CH 8 1H5* CH 8 22.094 -22.863 14.725 56 2H5* CH 8 2H5* CH 8 22.535 -24.432 15.350 57 H4* CH 8 H4* CH 8 24.517 -23.313 14.124 58 H3* CH 8 H3* CH 8 24.862 -23.076 17.296 59 H2* CH 8 H2* CH 8 27.206 -22.426 16.536 60 2HO* CH 8 2HO* CH 8 26.246 -23.002 13.870 61 H1* CH 8 H1* CH 8 26.497 -21.024 14.733 62 HN3 CH 8 HN3 CH 8 28.951 -18.854 17.767 63 1H4 CH 8 1H4 CH 8 28.732 -17.599 19.157 64 2H4 CH 8 2H4 CH 8 27.362 -17.018 20.058 65 H5 CH 8 H5 CH 8 24.999 -18.380 19.244 66 H6 CH 8 H6 CH 8 24.234 -19.974 17.477 67 1H5* G 9 1H5* G 9 21.759 -25.596 17.428 68 2H5* G 9 2H5* G 9 22.234 -23.924 17.820 69 H4* G 9 H4* G 9 20.710 -24.956 19.487 70 H3* G 9 H3* G 9 23.335 -23.809 20.059 71 H2* G 9 H2* G 9 23.907 -25.004 21.994 72 2HO* G 9 2HO* G 9 22.047 -24.355 23.095 73 H1* G 9 H1* G 9 22.672 -27.375 21.698 74 H8 G 9 H8 G 9 25.795 -26.013 21.488 75 H1 G 9 H1 G 9 25.430 -30.254 16.750 76 1H2 G 9 1H2 G 9 21.979 -29.945 17.129 77 2H2 G 9 2H2 G 9 23.308 -30.702 16.280 78 1H5* C 10 1H5* C 10 20.884 -22.055 23.987 79 2H5* C 10 2H5* C 10 21.070 -20.308 23.510 80 H4* C 10 H4* C 10 21.810 -20.866 25.946 81 H3* C 10 H3* C 10 23.923 -19.527 24.135 82 H2* C 10 H2* C 10 25.406 -19.556 25.799 83 2HO* C 10 2HO* C 10 24.930 -20.046 27.869 84 H1* C 10 H1* C 10 25.124 -22.153 26.296 85 1H4 C 10 1H4 C 10 27.849 -23.572 20.655 86 2H4 C 10 2H4 C 10 29.201 -23.008 21.633 87 H5 C 10 H5 C 10 25.531 -23.247 21.279 88 H6 C 10 H6 C 10 24.067 -22.656 23.002 89 1H5* C 11 1H5* C 11 23.319 -17.006 26.914 90 2H5* C 11 2H5* C 11 23.328 -15.245 27.050 91 H4* C 11 H4* C 11 25.563 -16.191 27.570 92 H3* C 11 H3* C 11 25.494 -14.730 24.905 93 H2* C 11 H2* C 11 27.853 -14.994 24.883 94 2HO* C 11 2HO* C 11 28.989 -15.674 26.723 95 H1* C 11 H1* C 11 27.726 -17.522 26.097 96 1H4 C 11 1H4 C 11 27.823 -19.996 20.317 97 2H4 C 11 2H4 C 11 29.447 -19.733 20.744 98 H5 C 11 H5 C 11 25.902 -19.058 21.528 99 H6 C 11 H6 C 11 25.386 -17.583 23.277 100 1H5* G 12 1H5* G 12 28.455 -12.776 26.729 101 2H5* G 12 2H5* G 12 28.484 -11.020 26.379 102 H4* G 12 H4* G 12 30.632 -12.155 25.775 103 H3* G 12 H3* G 12 29.136 -11.474 23.171 104 H2* G 12 H2* G 12 31.155 -11.987 22.162 105 2HO* G 12 2HO* G 12 32.965 -12.745 23.493 106 H1* G 12 H1* G 12 31.660 -14.098 23.540 107 H8 G 12 H8 G 12 28.089 -14.579 22.736 108 H1 G 12 H1 G 12 32.517 -17.127 18.831 109 1H2 G 12 1H2 G 12 34.731 -15.086 20.590 110 2H2 G 12 2H2 G 12 34.515 -16.302 19.340 111 1H5* A 13 1H5* A 13 32.120 -8.054 20.827 112 2H5* A 13 2H5* A 13 31.479 -9.465 19.973 113 H4* A 13 H4* A 13 33.799 -9.234 19.234 114 H3* A 13 H3* A 13 33.065 -11.492 20.978 115 H2* A 13 H2* A 13 34.860 -11.288 22.303 116 2HO* A 13 2HO* A 13 35.869 -12.287 19.848 117 H1* A 13 H1* A 13 36.148 -9.600 20.111 118 H8 A 13 H8 A 13 35.628 -8.402 23.632 119 1H6 A 13 1H6 A 13 40.149 -8.586 25.322 120 2H6 A 13 2H6 A 13 41.642 -9.229 24.675 121 H2 A 13 H2 A 13 40.660 -11.024 20.672 122 1H5* C 14 1H5* C 14 34.953 -13.584 18.515 123 2H5* C 14 2H5* C 14 36.440 -13.928 17.761 124 H4* C 14 H4* C 14 35.602 -15.486 16.453 125 H3* C 14 H3* C 14 33.806 -13.273 15.499 126 H2* C 14 H2* C 14 32.072 -14.853 14.854 127 2HO* C 14 2HO* C 14 32.567 -16.963 14.448 128 H1* C 14 H1* C 14 32.464 -16.687 16.682 129 1H4 C 14 1H4 C 14 28.677 -13.006 20.385 130 2H4 C 14 2H4 C 14 27.568 -13.929 19.398 131 H5 C 14 H5 C 14 31.066 -12.914 19.903 132 H6 C 14 H6 C 14 32.763 -13.706 18.369 133 1H5* C 15 1H5* C 15 34.213 -14.259 10.629 134 2H5* C 15 2H5* C 15 33.478 -12.681 10.382 135 H4* C 15 H4* C 15 32.343 -15.188 9.877 136 H3* C 15 H3* C 15 30.927 -12.533 10.220 137 H2* C 15 H2* C 15 29.002 -13.664 9.669 138 2HO* C 15 2HO* C 15 29.090 -15.470 8.705 139 H1* C 15 H1* C 15 29.348 -15.837 11.323 140 1H4 C 15 1H4 C 15 28.204 -12.158 16.605 141 2H4 C 15 2H4 C 15 26.608 -12.650 16.115 142 H5 C 15 H5 C 15 30.065 -12.454 15.439 143 H6 C 15 H6 C 15 31.118 -13.267 13.380 144 1H5* A 16 1H5* A 16 28.846 -13.720 6.655 145 2H5* A 16 2H5* A 16 28.409 -12.247 5.976 146 H4* A 16 H4* A 16 26.502 -13.815 6.657 147 H3* A 16 H3* A 16 26.634 -10.906 7.263 148 H2* A 16 H2* A 16 24.705 -11.155 8.960 149 2HO* A 16 2HO* A 16 23.226 -12.761 8.661 150 H1* A 16 H1* A 16 25.013 -13.643 9.507 151 H8 A 16 H8 A 16 28.191 -11.900 10.699 152 1H6 A 16 1H6 A 16 26.636 -10.469 14.948 153 2H6 A 16 2H6 A 16 25.038 -10.191 15.662 154 H2 A 16 H2 A 16 22.079 -11.296 12.462 155 1H5* C 17 1H5* C 17 23.479 -7.957 5.687 156 2H5* C 17 2H5* C 17 25.006 -8.475 6.389 157 H4* C 17 H4* C 17 22.370 -8.610 7.891 158 H3* C 17 H3* C 17 24.350 -6.304 7.943 159 H2* C 17 H2* C 17 23.553 -5.864 10.108 160 2HO* C 17 2HO* C 17 21.635 -6.915 10.872 161 H1* C 17 H1* C 17 22.919 -8.484 10.605 162 1H4 C 17 1H4 C 17 28.092 -8.344 14.404 163 2H4 C 17 2H4 C 17 26.731 -7.788 15.309 164 H5 C 17 H5 C 17 28.014 -8.567 11.734 165 H6 C 17 H6 C 17 26.488 -8.551 9.962 166 1H5* U 18 1H5* U 18 21.083 -1.806 8.571 167 2H5* U 18 2H5* U 18 22.784 -2.217 8.676 168 H4* U 18 H4* U 18 20.641 -3.137 10.638 169 H3* U 18 H3* U 18 21.953 -0.616 10.631 170 H2* U 18 H2* U 18 23.615 -1.265 12.368 171 2HO* U 18 2HO* U 18 21.014 -1.205 13.354 172 H1* U 18 H1* U 18 21.880 -3.359 13.091 173 H3 U 18 H3 U 18 25.149 -4.078 16.092 174 H5 U 18 H5 U 18 26.472 -5.417 12.350 175 H6 U 18 H6 U 18 24.767 -4.171 11.346 176 1H5* U 19 1H5* U 19 17.752 -1.864 11.964 177 2H5* U 19 2H5* U 19 16.501 -0.719 11.452 178 H4* U 19 H4* U 19 15.882 -1.655 13.723 179 H3* U 19 H3* U 19 15.783 1.136 13.430 180 H2* U 19 H2* U 19 18.298 1.326 14.247 181 2HO* U 19 2HO* U 19 17.798 2.734 15.814 182 H1* U 19 H1* U 19 17.105 -0.336 16.427 183 H3 U 19 H3 U 19 20.701 -0.104 19.134 184 H5 U 19 H5 U 19 22.386 0.049 15.253 185 H6 U 19 H6 U 19 20.219 -0.004 14.386 186 1H5* A 20 1H5* A 20 13.599 -1.243 11.962 187 2H5* A 20 2H5* A 20 12.233 -1.959 12.845 188 H4* A 20 H4* A 20 13.388 -3.558 11.199 189 H3* A 20 H3* A 20 13.207 -4.128 14.179 190 H2* A 20 H2* A 20 14.426 -5.959 14.121 191 2HO* A 20 2HO* A 20 14.697 -7.206 12.198 192 H1* A 20 H1* A 20 15.987 -5.376 11.833 193 H8 A 20 H8 A 20 15.326 -4.546 15.549 194 1H6 A 20 1H6 A 20 19.834 -4.545 17.148 195 2H6 A 20 2H6 A 20 21.389 -4.609 16.354 196 H2 A 20 H2 A 20 20.652 -4.977 11.990 197 1H5* A 21 1H5* A 21 12.782 -6.861 9.100 198 2H5* A 21 2H5* A 21 11.178 -7.585 9.329 199 H4* A 21 H4* A 21 12.727 -9.391 8.872 200 H3* A 21 H3* A 21 11.695 -9.152 11.690 201 H2* A 21 H2* A 21 13.369 -10.381 12.663 202 2HO* A 21 2HO* A 21 13.743 -11.916 10.357 203 H1* A 21 H1* A 21 15.190 -10.662 10.603 204 H8 A 21 H8 A 21 14.943 -9.644 14.010 205 1H6 A 21 1H6 A 21 20.486 -6.968 13.237 206 2H6 A 21 2H6 A 21 19.356 -7.548 14.436 207 H2 A 21 H2 A 21 18.758 -7.806 9.208 208 1H5* A 22 1H5* A 22 12.055 -14.649 8.459 209 2H5* A 22 2H5* A 22 13.442 -14.668 9.541 210 H4* A 22 H4* A 22 13.124 -12.889 7.052 211 H3* A 22 H3* A 22 14.792 -15.266 7.905 212 H2* A 22 H2* A 22 16.763 -14.323 7.466 213 2HO* A 22 2HO* A 22 17.000 -12.975 5.525 214 H1* A 22 H1* A 22 15.864 -11.624 6.879 215 H8 A 22 H8 A 22 16.179 -12.649 10.543 216 1H6 A 22 1H6 A 22 22.033 -10.833 10.236 217 2H6 A 22 2H6 A 22 20.766 -11.441 11.277 218 H2 A 22 H2 A 22 20.453 -10.601 6.245 219 1H5* A 23 1H5* A 23 16.456 -15.325 4.505 220 2H5* A 23 2H5* A 23 16.138 -16.830 3.624 221 H4* A 23 H4* A 23 18.433 -16.764 3.571 222 H3* A 23 H3* A 23 17.946 -18.053 6.334 223 H2* A 23 H2* A 23 20.521 -18.427 6.298 224 2HO* A 23 2HO* A 23 20.333 -17.182 3.758 225 H1* A 23 H1* A 23 20.922 -15.853 5.418 226 H8 A 23 H8 A 23 18.080 -15.970 8.090 227 1H6 A 23 1H6 A 23 22.602 -13.968 11.801 228 2H6 A 23 2H6 A 23 20.889 -14.191 11.716 229 H2 A 23 H2 A 23 24.357 -15.078 7.846 230 1H5* A 24 1H5* A 24 19.932 -22.683 5.839 231 2H5* A 24 2H5* A 24 20.356 -22.147 7.492 232 H4* A 24 H4* A 24 21.686 -21.217 4.894 233 H3* A 24 H3* A 24 22.260 -23.455 6.693 234 H2* A 24 H2* A 24 23.792 -22.337 7.860 235 2HO* A 24 2HO* A 24 25.817 -22.723 7.171 236 H1* A 24 H1* A 24 23.974 -20.243 5.635 237 H8 A 24 H8 A 24 22.834 -20.186 9.112 238 1H6 A 24 1H6 A 24 25.566 -16.408 10.652 239 2H6 A 24 2H6 A 24 27.026 -15.686 10.015 240 H2 A 24 H2 A 24 27.996 -17.878 6.189 241 1H5* C 25 1H5* C 25 22.916 -25.527 6.090 242 2H5* C 25 2H5* C 25 23.612 -25.033 7.647 243 H4* C 25 H4* C 25 23.193 -27.489 7.327 244 H3* C 25 H3* C 25 25.980 -26.554 8.005 245 H2* C 25 H2* C 25 26.503 -28.877 8.311 246 2HO* C 25 2HO* C 25 24.601 -29.304 9.502 247 H1* C 25 H1* C 25 24.880 -29.784 6.223 248 1H4 C 25 1H4 C 25 31.079 -28.626 4.141 249 2H4 C 25 2H4 C 25 30.855 -30.360 4.116 250 H5 C 25 H5 C 25 29.374 -27.082 4.874 251 H6 C 25 H6 C 25 27.120 -26.887 5.777 252 1H5* A 26 1H5* A 26 26.376 -24.110 11.101 253 2H5* A 26 2H5* A 26 25.318 -24.618 9.776 254 H4* A 26 H4* A 26 27.488 -24.742 8.368 255 H3* A 26 H3* A 26 28.478 -23.495 10.874 256 H2* A 26 H2* A 26 29.263 -21.552 9.971 257 2HO* A 26 2HO* A 26 30.704 -22.349 8.531 258 H1* A 26 H1* A 26 27.654 -21.245 7.712 259 H8 A 26 H8 A 26 25.090 -21.471 10.171 260 1H6 A 26 1H6 A 26 27.238 -16.445 13.109 261 2H6 A 26 2H6 A 26 25.956 -17.629 13.106 262 H2 A 26 H2 A 26 30.212 -17.669 9.979 263 1H5* C 27 1H5* C 27 31.991 -23.696 9.162 264 2H5* C 27 2H5* C 27 33.357 -24.631 9.795 265 H4* C 27 H4* C 27 33.975 -22.242 9.705 266 H3* C 27 H3* C 27 33.370 -22.703 12.598 267 H2* C 27 H2* C 27 34.105 -20.484 12.851 268 2HO* C 27 2HO* C 27 36.081 -20.786 11.814 269 H1* C 27 H1* C 27 33.382 -19.768 10.137 270 1H4 C 27 1H4 C 27 29.000 -16.660 13.897 271 2H4 C 27 2H4 C 27 30.246 -15.510 13.466 272 H5 C 27 H5 C 27 29.234 -18.917 13.612 273 H6 C 27 H6 C 27 30.365 -20.746 12.213 274 1H5* C 28 1H5* C 28 37.890 -22.772 15.139 275 2H5* C 28 2H5* C 28 36.344 -22.081 15.655 276 H4* C 28 H4* C 28 38.839 -20.586 14.761 277 H3* C 28 H3* C 28 37.639 -21.313 17.333 278 H2* C 28 H2* C 28 37.019 -19.282 18.142 279 2HO* C 28 2HO* C 28 38.524 -17.842 18.299 280 H1* C 28 H1* C 28 36.818 -17.625 15.915 281 1H4 C 28 1H4 C 28 30.996 -20.456 17.443 282 2H4 C 28 2H4 C 28 31.106 -19.050 18.486 283 H5 C 28 H5 C 28 32.651 -21.174 16.034 284 H6 C 28 H6 C 28 34.852 -20.640 14.916 285 1H5* G 29 1H5* G 29 40.222 -19.394 19.241 286 2H5* G 29 2H5* G 29 41.103 -20.187 20.556 287 H4* G 29 H4* G 29 39.454 -18.442 21.284 288 H3* G 29 H3* G 29 38.498 -21.206 22.113 289 H2* G 29 H2* G 29 36.803 -20.091 23.299 290 2HO* G 29 2HO* G 29 38.701 -18.132 23.458 291 H1* G 29 H1* G 29 36.569 -17.983 21.359 292 H8 G 29 H8 G 29 36.044 -20.974 19.160 293 H1 G 29 H1 G 29 30.685 -18.884 22.046 294 1H2 G 29 1H2 G 29 33.064 -17.364 24.384 295 2H2 G 29 2H2 G 29 31.383 -17.600 23.960 296 1H5* G 30 1H5* G 30 39.268 -19.262 25.325 297 2H5* G 30 2H5* G 30 39.448 -19.896 26.971 298 H4* G 30 H4* G 30 37.219 -18.846 26.311 299 H3* G 30 H3* G 30 37.323 -21.686 27.349 300 H2* G 30 H2* G 30 35.041 -21.907 27.002 301 2HO* G 30 2HO* G 30 33.659 -20.024 27.141 302 H1* G 30 H1* G 30 34.912 -19.506 25.357 303 H8 G 30 H8 G 30 35.966 -22.056 22.764 304 H1 G 30 H1 G 30 29.656 -21.894 23.793 305 1H2 G 30 1H2 G 30 30.424 -20.327 26.831 306 2H2 G 30 2H2 G 30 29.186 -20.926 25.744 Start of MODEL 13 1 1H5* A 3 1H5* A 3 23.228 -3.045 20.707 2 2H5* A 3 2H5* A 3 22.933 -1.297 21.027 3 H4* A 3 H4* A 3 21.757 -2.388 22.785 4 H3* A 3 H3* A 3 24.034 -1.749 24.360 5 H2* A 3 H2* A 3 25.488 -3.426 23.648 6 2HO* A 3 2HO* A 3 25.366 -5.238 24.975 7 H1* A 3 H1* A 3 23.555 -5.441 23.317 8 H8 A 3 H8 A 3 26.494 -5.910 23.009 9 1H6 A 3 1H6 A 3 27.859 -6.631 18.380 10 2H6 A 3 2H6 A 3 27.211 -6.038 16.838 11 H2 A 3 H2 A 3 23.658 -3.520 17.834 12 1H5* G 4 1H5* G 4 20.102 -3.707 23.396 13 2H5* G 4 2H5* G 4 19.274 -5.068 24.120 14 H4* G 4 H4* G 4 19.153 -4.450 21.536 15 H3* G 4 H3* G 4 20.175 -7.500 21.607 16 H2* G 4 H2* G 4 19.889 -7.385 19.238 17 2HO* G 4 2HO* G 4 19.108 -5.435 18.286 18 H1* G 4 H1* G 4 21.094 -5.001 19.049 19 H8 G 4 H8 G 4 23.272 -6.640 21.497 20 H1 G 4 H1 G 4 24.321 -7.592 15.235 21 1H2 G 4 1H2 G 4 20.933 -6.339 15.214 22 2H2 G 4 2H2 G 4 22.277 -6.902 14.266 23 1H5* U 5 1H5* U 5 15.693 -8.508 20.143 24 2H5* U 5 2H5* U 5 15.622 -10.227 20.334 25 H4* U 5 H4* U 5 15.310 -8.943 17.959 26 H3* U 5 H3* U 5 17.047 -11.528 17.807 27 H2* U 5 H2* U 5 17.055 -11.057 15.466 28 2HO* U 5 2HO* U 5 15.044 -9.277 16.234 29 H1* U 5 H1* U 5 17.924 -8.667 15.727 30 H3 U 5 H3 U 5 21.909 -10.372 15.038 31 H5 U 5 H5 U 5 21.459 -9.583 19.182 32 H6 U 5 H6 U 5 19.054 -9.377 18.819 33 1H5* G 6 1H5* G 6 16.106 -13.239 13.392 34 2H5* G 6 2H5* G 6 15.160 -14.382 14.463 35 H4* G 6 H4* G 6 17.199 -15.295 14.157 36 H3* G 6 H3* G 6 16.371 -14.182 16.769 37 H2* G 6 H2* G 6 18.171 -12.731 16.346 38 2HO* G 6 2HO* G 6 18.170 -12.985 18.330 39 H1* G 6 H1* G 6 19.585 -15.050 15.098 40 H8 G 6 H8 G 6 20.274 -12.730 17.889 41 H1 G 6 H1 G 6 25.580 -13.468 14.493 42 1H2 G 6 1H2 G 6 23.653 -14.587 11.823 43 2H2 G 6 2H2 G 6 25.236 -14.190 12.437 44 1H5* G 7 1H5* G 7 19.494 -18.306 17.423 45 2H5* G 7 2H5* G 7 19.112 -16.680 16.743 46 H4* G 7 H4* G 7 19.890 -18.245 14.566 47 H3* G 7 H3* G 7 21.521 -19.047 16.989 48 H2* G 7 H2* G 7 23.591 -18.401 15.885 49 2HO* G 7 2HO* G 7 21.957 -18.695 13.613 50 H1* G 7 H1* G 7 22.907 -16.362 14.707 51 H8 G 7 H8 G 7 21.089 -15.398 17.826 52 H1 G 7 H1 G 7 27.581 -14.742 17.994 53 1H2 G 7 1H2 G 7 27.267 -16.946 15.136 54 2H2 G 7 2H2 G 7 28.321 -16.026 16.184 55 1H5* CH 8 1H5* CH 8 23.037 -21.748 13.821 56 2H5* CH 8 2H5* CH 8 23.257 -23.395 14.455 57 H4* CH 8 H4* CH 8 25.465 -22.331 13.515 58 H3* CH 8 H3* CH 8 25.053 -23.097 16.562 59 H2* CH 8 H2* CH 8 27.376 -22.433 16.879 60 2HO* CH 8 2HO* CH 8 27.572 -22.869 14.009 61 H1* CH 8 H1* CH 8 27.484 -20.716 14.937 62 HN3 CH 8 HN3 CH 8 29.432 -18.441 18.172 63 1H4 CH 8 1H4 CH 8 27.046 -16.953 20.229 64 2H4 CH 8 2H4 CH 8 28.734 -16.917 19.917 65 H5 CH 8 H5 CH 8 25.371 -18.416 19.339 66 H6 CH 8 H6 CH 8 24.908 -20.002 17.462 67 1H5* G 9 1H5* G 9 21.949 -25.127 15.930 68 2H5* G 9 2H5* G 9 22.738 -23.667 16.577 69 H4* G 9 H4* G 9 21.012 -24.674 18.092 70 H3* G 9 H3* G 9 23.793 -24.051 18.766 71 H2* G 9 H2* G 9 24.271 -25.596 20.369 72 2HO* G 9 2HO* G 9 22.335 -24.801 21.563 73 H1* G 9 H1* G 9 22.682 -27.715 19.800 74 H8 G 9 H8 G 9 23.551 -27.870 16.548 75 H1 G 9 H1 G 9 29.071 -27.416 19.709 76 1H2 G 9 1H2 G 9 28.710 -26.619 21.752 77 2H2 G 9 2H2 G 9 27.111 -26.201 22.326 78 1H5* C 10 1H5* C 10 21.974 -23.949 23.267 79 2H5* C 10 2H5* C 10 20.946 -22.690 23.926 80 H4* C 10 H4* C 10 22.839 -22.692 25.446 81 H3* C 10 H3* C 10 24.207 -20.849 23.431 82 H2* C 10 H2* C 10 25.704 -20.550 25.019 83 2HO* C 10 2HO* C 10 23.692 -21.592 26.656 84 H1* C 10 H1* C 10 25.844 -23.321 25.420 85 1H4 C 10 1H4 C 10 29.173 -24.180 20.007 86 2H4 C 10 2H4 C 10 30.413 -23.658 21.141 87 H5 C 10 H5 C 10 26.822 -23.937 20.427 88 H6 C 10 H6 C 10 25.207 -23.603 21.996 89 1H5* C 11 1H5* C 11 23.374 -15.971 26.770 90 2H5* C 11 2H5* C 11 23.244 -15.851 25.005 91 H4* C 11 H4* C 11 25.633 -16.685 26.801 92 H3* C 11 H3* C 11 26.022 -15.363 24.023 93 H2* C 11 H2* C 11 28.203 -15.947 24.391 94 2HO* C 11 2HO* C 11 29.052 -16.385 26.364 95 H1* C 11 H1* C 11 27.593 -18.363 25.628 96 1H4 C 11 1H4 C 11 28.199 -20.849 19.898 97 2H4 C 11 2H4 C 11 29.781 -20.497 20.413 98 H5 C 11 H5 C 11 26.125 -19.937 21.010 99 H6 C 11 H6 C 11 25.496 -18.511 22.739 100 1H5* G 12 1H5* G 12 27.971 -12.776 26.517 101 2H5* G 12 2H5* G 12 27.835 -11.003 26.354 102 H4* G 12 H4* G 12 30.199 -11.739 26.129 103 H3* G 12 H3* G 12 29.091 -11.108 23.320 104 H2* G 12 H2* G 12 31.145 -11.491 22.507 105 2HO* G 12 2HO* G 12 31.977 -11.149 25.144 106 H1* G 12 H1* G 12 31.750 -13.588 23.908 107 H8 G 12 H8 G 12 28.275 -14.290 22.945 108 H1 G 12 H1 G 12 32.777 -16.644 19.185 109 1H2 G 12 1H2 G 12 35.001 -14.538 20.890 110 2H2 G 12 2H2 G 12 34.790 -15.774 19.657 111 1H5* A 13 1H5* A 13 32.258 -7.601 21.366 112 2H5* A 13 2H5* A 13 31.575 -8.962 20.461 113 H4* A 13 H4* A 13 33.944 -8.752 19.827 114 H3* A 13 H3* A 13 32.991 -11.085 21.378 115 H2* A 13 H2* A 13 34.745 -11.176 22.709 116 2HO* A 13 2HO* A 13 36.829 -11.733 21.311 117 H1* A 13 H1* A 13 36.213 -9.381 20.730 118 H8 A 13 H8 A 13 35.705 -8.460 24.338 119 1H6 A 13 1H6 A 13 40.131 -9.227 26.098 120 2H6 A 13 2H6 A 13 41.565 -9.984 25.443 121 H2 A 13 H2 A 13 40.528 -11.364 21.292 122 1H5* C 14 1H5* C 14 35.160 -13.373 18.819 123 2H5* C 14 2H5* C 14 36.528 -13.403 17.800 124 H4* C 14 H4* C 14 35.701 -15.143 16.734 125 H3* C 14 H3* C 14 33.903 -12.957 15.813 126 H2* C 14 H2* C 14 32.150 -14.552 15.148 127 2HO* C 14 2HO* C 14 32.686 -16.661 14.760 128 H1* C 14 H1* C 14 32.416 -16.329 17.044 129 1H4 C 14 1H4 C 14 28.847 -12.472 20.720 130 2H4 C 14 2H4 C 14 27.741 -13.396 19.728 131 H5 C 14 H5 C 14 31.255 -12.465 20.253 132 H6 C 14 H6 C 14 32.964 -13.300 18.735 133 1H5* C 15 1H5* C 15 34.280 -13.796 10.782 134 2H5* C 15 2H5* C 15 33.570 -12.194 10.668 135 H4* C 15 H4* C 15 32.406 -14.636 9.906 136 H3* C 15 H3* C 15 31.016 -11.999 10.465 137 H2* C 15 H2* C 15 29.087 -13.001 9.787 138 2HO* C 15 2HO* C 15 29.100 -14.787 8.756 139 H1* C 15 H1* C 15 29.383 -15.388 11.235 140 1H4 C 15 1H4 C 15 28.463 -12.318 16.767 141 2H4 C 15 2H4 C 15 26.831 -12.698 16.347 142 H5 C 15 H5 C 15 30.156 -12.482 15.611 143 H6 C 15 H6 C 15 31.189 -13.090 13.522 144 1H5* A 16 1H5* A 16 28.828 -12.997 7.009 145 2H5* A 16 2H5* A 16 28.585 -11.459 6.295 146 H4* A 16 H4* A 16 26.505 -12.708 6.659 147 H3* A 16 H3* A 16 26.701 -10.069 8.084 148 H2* A 16 H2* A 16 24.402 -10.564 9.007 149 2HO* A 16 2HO* A 16 24.344 -12.393 6.771 150 H1* A 16 H1* A 16 24.604 -13.124 9.194 151 H8 A 16 H8 A 16 27.642 -11.805 10.934 152 1H6 A 16 1H6 A 16 25.886 -10.905 15.155 153 2H6 A 16 2H6 A 16 24.288 -10.567 15.828 154 H2 A 16 H2 A 16 21.430 -10.953 12.386 155 1H5* C 17 1H5* C 17 23.877 -9.459 6.383 156 2H5* C 17 2H5* C 17 23.354 -7.913 5.703 157 H4* C 17 H4* C 17 22.110 -8.447 7.738 158 H3* C 17 H3* C 17 24.038 -6.135 7.967 159 H2* C 17 H2* C 17 23.311 -5.781 10.169 160 2HO* C 17 2HO* C 17 21.324 -6.795 10.907 161 H1* C 17 H1* C 17 22.499 -8.373 10.596 162 1H4 C 17 1H4 C 17 27.674 -8.903 14.345 163 2H4 C 17 2H4 C 17 26.364 -8.337 15.316 164 H5 C 17 H5 C 17 27.557 -8.914 11.680 165 H6 C 17 H6 C 17 26.016 -8.613 9.926 166 1H5* U 18 1H5* U 18 21.893 -1.656 8.430 167 2H5* U 18 2H5* U 18 23.589 -1.824 8.812 168 H4* U 18 H4* U 18 21.188 -3.026 10.288 169 H3* U 18 H3* U 18 22.535 -0.604 10.760 170 H2* U 18 H2* U 18 24.051 -1.453 12.511 171 2HO* U 18 2HO* U 18 21.368 -1.568 13.332 172 H1* U 18 H1* U 18 22.296 -3.603 12.917 173 H3 U 18 H3 U 18 25.349 -4.627 16.010 174 H5 U 18 H5 U 18 27.002 -5.527 12.259 175 H6 U 18 H6 U 18 25.327 -4.203 11.269 176 1H5* U 19 1H5* U 19 18.405 -2.447 11.752 177 2H5* U 19 2H5* U 19 17.203 -1.518 10.956 178 H4* U 19 H4* U 19 16.251 -2.254 13.183 179 H3* U 19 H3* U 19 16.108 0.558 12.928 180 H2* U 19 H2* U 19 18.549 0.797 13.872 181 2HO* U 19 2HO* U 19 16.329 1.293 15.631 182 H1* U 19 H1* U 19 17.283 -0.877 16.009 183 H3 U 19 H3 U 19 20.714 -0.858 18.893 184 H5 U 19 H5 U 19 22.612 -0.239 15.165 185 H6 U 19 H6 U 19 20.518 -0.250 14.158 186 1H5* A 20 1H5* A 20 14.324 -1.213 11.289 187 2H5* A 20 2H5* A 20 12.697 -1.824 11.654 188 H4* A 20 H4* A 20 14.010 -3.270 10.020 189 H3* A 20 H3* A 20 13.169 -4.400 12.733 190 H2* A 20 H2* A 20 13.979 -6.479 12.227 191 2HO* A 20 2HO* A 20 14.114 -7.207 10.202 192 H1* A 20 H1* A 20 16.191 -5.583 10.781 193 H8 A 20 H8 A 20 14.602 -5.870 14.249 194 1H6 A 20 1H6 A 20 20.267 -5.810 16.610 195 2H6 A 20 2H6 A 20 18.568 -6.032 16.955 196 H2 A 20 H2 A 20 20.596 -5.053 12.185 197 1H5* A 21 1H5* A 21 12.424 -7.185 8.814 198 2H5* A 21 2H5* A 21 10.908 -7.951 9.331 199 H4* A 21 H4* A 21 12.556 -9.656 8.602 200 H3* A 21 H3* A 21 11.526 -9.564 11.419 201 H2* A 21 H2* A 21 13.282 -10.709 12.374 202 2HO* A 21 2HO* A 21 13.765 -12.198 10.080 203 H1* A 21 H1* A 21 15.083 -10.893 10.281 204 H8 A 21 H8 A 21 14.787 -9.857 13.733 205 1H6 A 21 1H6 A 21 19.099 -7.831 14.246 206 2H6 A 21 2H6 A 21 20.302 -7.273 13.108 207 H2 A 21 H2 A 21 18.676 -8.099 8.990 208 1H5* A 22 1H5* A 22 12.323 -15.053 8.248 209 2H5* A 22 2H5* A 22 13.624 -14.893 9.401 210 H4* A 22 H4* A 22 13.289 -13.151 6.892 211 H3* A 22 H3* A 22 14.755 -15.681 7.556 212 H2* A 22 H2* A 22 16.765 -14.786 7.630 213 2HO* A 22 2HO* A 22 17.463 -14.860 5.642 214 H1* A 22 H1* A 22 16.030 -12.105 6.623 215 H8 A 22 H8 A 22 16.732 -13.398 10.173 216 1H6 A 22 1H6 A 22 22.103 -10.395 9.570 217 2H6 A 22 2H6 A 22 21.128 -11.331 10.678 218 H2 A 22 H2 A 22 20.013 -10.110 5.828 219 1H5* A 23 1H5* A 23 17.094 -15.119 3.875 220 2H5* A 23 2H5* A 23 16.700 -16.638 3.054 221 H4* A 23 H4* A 23 19.003 -16.650 2.988 222 H3* A 23 H3* A 23 18.481 -17.892 5.764 223 H2* A 23 H2* A 23 21.026 -18.426 5.686 224 2HO* A 23 2HO* A 23 21.296 -18.813 3.607 225 H1* A 23 H1* A 23 21.544 -15.832 4.814 226 H8 A 23 H8 A 23 18.707 -15.803 7.454 227 1H6 A 23 1H6 A 23 23.174 -13.549 11.110 228 2H6 A 23 2H6 A 23 21.468 -13.859 11.048 229 H2 A 23 H2 A 23 24.968 -14.890 7.234 230 1H5* A 24 1H5* A 24 22.046 -21.790 3.831 231 2H5* A 24 2H5* A 24 20.942 -22.624 4.940 232 H4* A 24 H4* A 24 23.387 -22.457 5.796 233 H3* A 24 H3* A 24 21.066 -22.027 7.482 234 H2* A 24 H2* A 24 22.204 -20.645 8.775 235 2HO* A 24 2HO* A 24 24.361 -21.533 9.523 236 H1* A 24 H1* A 24 24.800 -20.913 7.291 237 H8 A 24 H8 A 24 22.239 -18.453 8.930 238 1H6 A 24 1H6 A 24 25.461 -15.091 10.110 239 2H6 A 24 2H6 A 24 27.099 -14.773 9.586 240 H2 A 24 H2 A 24 28.133 -17.888 6.570 241 1H5* C 25 1H5* C 25 20.157 -25.770 8.664 242 2H5* C 25 2H5* C 25 21.363 -24.475 8.789 243 H4* C 25 H4* C 25 21.742 -25.984 10.577 244 H3* C 25 H3* C 25 23.754 -25.403 8.813 245 H2* C 25 H2* C 25 23.496 -27.066 7.399 246 2HO* C 25 2HO* C 25 25.620 -27.394 8.187 247 H1* C 25 H1* C 25 23.021 -29.179 9.480 248 1H4 C 25 1H4 C 25 20.009 -32.864 5.378 249 2H4 C 25 2H4 C 25 20.281 -31.743 4.063 250 H5 C 25 H5 C 25 21.516 -29.695 4.355 251 H6 C 25 H6 C 25 22.090 -27.967 5.979 252 1H5* A 26 1H5* A 26 26.602 -23.705 12.003 253 2H5* A 26 2H5* A 26 25.338 -24.081 10.827 254 H4* A 26 H4* A 26 27.370 -24.677 9.254 255 H3* A 26 H3* A 26 28.708 -23.301 11.505 256 H2* A 26 H2* A 26 29.454 -21.453 10.401 257 2HO* A 26 2HO* A 26 30.735 -22.242 8.883 258 H1* A 26 H1* A 26 27.722 -21.168 8.297 259 H8 A 26 H8 A 26 25.547 -21.461 11.279 260 1H6 A 26 1H6 A 26 26.260 -17.159 13.427 261 2H6 A 26 2H6 A 26 27.349 -15.839 13.080 262 H2 A 26 H2 A 26 29.912 -17.100 9.613 263 1H5* C 27 1H5* C 27 32.265 -23.368 9.595 264 2H5* C 27 2H5* C 27 33.482 -24.369 10.404 265 H4* C 27 H4* C 27 34.369 -22.101 10.284 266 H3* C 27 H3* C 27 33.167 -22.187 13.021 267 H2* C 27 H2* C 27 34.325 -20.123 13.294 268 2HO* C 27 2HO* C 27 36.272 -20.641 12.416 269 H1* C 27 H1* C 27 33.821 -19.379 10.587 270 1H4 C 27 1H4 C 27 29.136 -16.460 14.178 271 2H4 C 27 2H4 C 27 30.366 -15.269 13.842 272 H5 C 27 H5 C 27 29.429 -18.666 13.808 273 H6 C 27 H6 C 27 30.624 -20.410 12.398 274 1H5* C 28 1H5* C 28 38.034 -21.045 13.435 275 2H5* C 28 2H5* C 28 38.227 -22.071 14.867 276 H4* C 28 H4* C 28 39.151 -19.633 14.939 277 H3* C 28 H3* C 28 37.518 -21.011 17.024 278 H2* C 28 H2* C 28 37.298 -19.147 18.360 279 2HO* C 28 2HO* C 28 39.298 -18.366 18.595 280 H1* C 28 H1* C 28 37.077 -17.157 16.392 281 1H4 C 28 1H4 C 28 31.274 -19.995 17.896 282 2H4 C 28 2H4 C 28 31.389 -18.561 18.904 283 H5 C 28 H5 C 28 32.948 -20.758 16.530 284 H6 C 28 H6 C 28 35.119 -20.195 15.346 285 1H5* G 29 1H5* G 29 40.358 -19.809 19.185 286 2H5* G 29 2H5* G 29 41.296 -20.656 20.427 287 H4* G 29 H4* G 29 39.816 -18.845 21.319 288 H3* G 29 H3* G 29 38.766 -21.582 22.129 289 H2* G 29 H2* G 29 37.121 -20.461 23.384 290 2HO* G 29 2HO* G 29 37.253 -18.239 23.818 291 H1* G 29 H1* G 29 36.772 -18.359 21.521 292 H8 G 29 H8 G 29 36.544 -21.359 19.243 293 H1 G 29 H1 G 29 30.903 -19.571 21.777 294 1H2 G 29 1H2 G 29 33.056 -17.905 24.233 295 2H2 G 29 2H2 G 29 31.422 -18.238 23.711 296 1H5* G 30 1H5* G 30 40.076 -19.941 25.594 297 2H5* G 30 2H5* G 30 40.287 -20.889 27.078 298 H4* G 30 H4* G 30 38.043 -19.681 26.628 299 H3* G 30 H3* G 30 38.181 -22.628 27.297 300 H2* G 30 H2* G 30 35.876 -22.806 27.046 301 2HO* G 30 2HO* G 30 34.524 -20.920 27.379 302 H1* G 30 H1* G 30 35.654 -20.315 25.572 303 H8 G 30 H8 G 30 36.985 -22.629 22.893 304 H1 G 30 H1 G 30 30.627 -22.701 23.421 305 1H2 G 30 1H2 G 30 31.065 -21.355 26.623 306 2H2 G 30 2H2 G 30 29.950 -21.905 25.385 Start of MODEL 14 1 1H5* A 3 1H5* A 3 24.680 -4.641 26.777 2 2H5* A 3 2H5* A 3 23.008 -4.537 27.414 3 H4* A 3 H4* A 3 22.996 -2.985 25.789 4 H3* A 3 H3* A 3 22.327 -5.445 24.015 5 H2* A 3 H2* A 3 22.234 -4.171 22.155 6 2HO* A 3 2HO* A 3 21.725 -2.078 22.115 7 H1* A 3 H1* A 3 24.512 -2.603 22.769 8 H8 A 3 H8 A 3 25.979 -5.623 23.189 9 1H6 A 3 1H6 A 3 27.033 -6.519 18.611 10 2H6 A 3 2H6 A 3 26.346 -5.963 17.073 11 H2 A 3 H2 A 3 22.974 -3.197 18.160 12 1H5* G 4 1H5* G 4 19.406 -8.080 23.637 13 2H5* G 4 2H5* G 4 20.961 -7.153 23.781 14 H4* G 4 H4* G 4 19.165 -6.048 21.717 15 H3* G 4 H3* G 4 19.866 -9.019 20.740 16 H2* G 4 H2* G 4 20.155 -8.181 18.645 17 2HO* G 4 2HO* G 4 19.259 -6.297 17.934 18 H1* G 4 H1* G 4 21.263 -5.713 19.343 19 H8 G 4 H8 G 4 23.345 -7.673 21.312 20 H1 G 4 H1 G 4 24.586 -7.822 14.976 21 1H2 G 4 1H2 G 4 21.130 -6.760 14.992 22 2H2 G 4 2H2 G 4 22.532 -7.151 14.031 23 1H5* U 5 1H5* U 5 16.226 -8.625 18.604 24 2H5* U 5 2H5* U 5 15.200 -10.060 18.752 25 H4* U 5 H4* U 5 15.749 -9.644 16.401 26 H3* U 5 H3* U 5 17.501 -12.008 17.300 27 H2* U 5 H2* U 5 18.003 -12.199 14.964 28 2HO* U 5 2HO* U 5 15.752 -10.549 14.744 29 H1* U 5 H1* U 5 18.445 -9.587 14.651 30 H3 U 5 H3 U 5 22.681 -10.623 14.496 31 H5 U 5 H5 U 5 21.841 -10.277 18.608 32 H6 U 5 H6 U 5 19.440 -10.245 18.046 33 1H5* G 6 1H5* G 6 15.948 -13.148 14.283 34 2H5* G 6 2H5* G 6 15.398 -14.800 13.959 35 H4* G 6 H4* G 6 17.162 -14.252 12.474 36 H3* G 6 H3* G 6 18.210 -15.990 14.669 37 H2* G 6 H2* G 6 20.263 -16.064 13.439 38 2HO* G 6 2HO* G 6 20.375 -15.188 11.325 39 H1* G 6 H1* G 6 20.106 -13.531 12.568 40 H8 G 6 H8 G 6 19.776 -13.294 16.331 41 H1 G 6 H1 G 6 25.755 -13.289 14.060 42 1H2 G 6 1H2 G 6 24.289 -14.706 11.179 43 2H2 G 6 2H2 G 6 25.742 -14.153 11.976 44 1H5* G 7 1H5* G 7 19.296 -19.774 15.078 45 2H5* G 7 2H5* G 7 18.733 -18.087 15.083 46 H4* G 7 H4* G 7 20.699 -18.237 13.074 47 H3* G 7 H3* G 7 21.461 -20.058 15.350 48 H2* G 7 H2* G 7 23.278 -18.788 15.963 49 2HO* G 7 2HO* G 7 23.649 -18.865 13.214 50 H1* G 7 H1* G 7 22.886 -16.652 14.334 51 H8 G 7 H8 G 7 20.973 -15.852 17.379 52 H1 G 7 H1 G 7 27.357 -14.924 17.675 53 1H2 G 7 1H2 G 7 27.205 -17.146 14.837 54 2H2 G 7 2H2 G 7 28.195 -16.185 15.913 55 1H5* CH 8 1H5* CH 8 23.302 -24.162 14.598 56 2H5* CH 8 2H5* CH 8 22.787 -22.590 15.267 57 H4* CH 8 H4* CH 8 25.520 -22.928 13.770 58 H3* CH 8 H3* CH 8 25.327 -23.606 16.911 59 H2* CH 8 H2* CH 8 27.672 -22.813 16.819 60 2HO* CH 8 2HO* CH 8 28.642 -22.367 14.679 61 H1* CH 8 H1* CH 8 27.370 -21.153 14.922 62 HN3 CH 8 HN3 CH 8 29.348 -18.720 18.040 63 1H4 CH 8 1H4 CH 8 26.931 -17.347 20.116 64 2H4 CH 8 2H4 CH 8 28.598 -17.216 19.764 65 H5 CH 8 H5 CH 8 25.317 -18.938 19.311 66 H6 CH 8 H6 CH 8 24.896 -20.500 17.445 67 1H5* G 9 1H5* G 9 23.659 -26.867 18.229 68 2H5* G 9 2H5* G 9 22.334 -26.659 17.060 69 H4* G 9 H4* G 9 21.527 -24.737 18.302 70 H3* G 9 H3* G 9 24.157 -24.190 18.902 71 H2* G 9 H2* G 9 24.369 -25.953 20.350 72 2HO* G 9 2HO* G 9 24.036 -24.947 22.593 73 H1* G 9 H1* G 9 21.673 -25.084 21.422 74 H8 G 9 H8 G 9 21.434 -28.587 20.890 75 H1 G 9 H1 G 9 24.320 -27.738 26.510 76 1H2 G 9 1H2 G 9 24.800 -24.464 25.424 77 2H2 G 9 2H2 G 9 25.035 -25.647 26.691 78 1H5* C 10 1H5* C 10 22.833 -23.626 22.594 79 2H5* C 10 2H5* C 10 21.803 -22.617 23.589 80 H4* C 10 H4* C 10 23.697 -22.799 25.070 81 H3* C 10 H3* C 10 25.247 -20.840 23.282 82 H2* C 10 H2* C 10 26.782 -20.903 24.859 83 2HO* C 10 2HO* C 10 26.471 -21.906 26.791 84 H1* C 10 H1* C 10 26.674 -23.669 24.908 85 1H4 C 10 1H4 C 10 30.107 -23.977 19.527 86 2H4 C 10 2H4 C 10 31.311 -23.637 20.766 87 H5 C 10 H5 C 10 27.723 -23.728 19.893 88 H6 C 10 H6 C 10 26.055 -23.475 21.452 89 1H5* C 11 1H5* C 11 24.077 -16.312 26.671 90 2H5* C 11 2H5* C 11 23.940 -17.116 25.073 91 H4* C 11 H4* C 11 26.215 -17.736 27.028 92 H3* C 11 H3* C 11 26.422 -15.310 25.137 93 H2* C 11 H2* C 11 28.497 -15.992 24.515 94 2HO* C 11 2HO* C 11 29.903 -17.048 26.012 95 H1* C 11 H1* C 11 28.288 -18.691 25.565 96 1H4 C 11 1H4 C 11 28.992 -20.729 19.723 97 2H4 C 11 2H4 C 11 30.571 -20.454 20.288 98 H5 C 11 H5 C 11 26.941 -19.857 20.859 99 H6 C 11 H6 C 11 26.280 -18.562 22.671 100 1H5* G 12 1H5* G 12 27.461 -11.065 26.116 101 2H5* G 12 2H5* G 12 26.807 -12.463 25.168 102 H4* G 12 H4* G 12 29.796 -11.991 25.932 103 H3* G 12 H3* G 12 28.746 -10.884 23.209 104 H2* G 12 H2* G 12 30.608 -11.584 22.266 105 2HO* G 12 2HO* G 12 31.702 -11.180 24.769 106 H1* G 12 H1* G 12 31.285 -13.642 23.733 107 H8 G 12 H8 G 12 27.948 -14.621 22.752 108 H1 G 12 H1 G 12 32.596 -16.668 19.018 109 1H2 G 12 1H2 G 12 34.668 -14.363 20.649 110 2H2 G 12 2H2 G 12 34.532 -15.637 19.445 111 1H5* A 13 1H5* A 13 31.841 -7.591 21.455 112 2H5* A 13 2H5* A 13 31.093 -8.873 20.484 113 H4* A 13 H4* A 13 33.414 -8.715 19.738 114 H3* A 13 H3* A 13 32.509 -11.073 21.279 115 H2* A 13 H2* A 13 34.333 -11.169 22.566 116 2HO* A 13 2HO* A 13 35.360 -11.875 19.993 117 H1* A 13 H1* A 13 35.723 -9.386 20.521 118 H8 A 13 H8 A 13 35.364 -8.536 24.176 119 1H6 A 13 1H6 A 13 39.895 -9.209 25.697 120 2H6 A 13 2H6 A 13 41.319 -9.892 24.946 121 H2 A 13 H2 A 13 40.126 -11.167 20.804 122 1H5* C 14 1H5* C 14 34.799 -13.175 18.921 123 2H5* C 14 2H5* C 14 36.233 -13.225 17.989 124 H4* C 14 H4* C 14 35.538 -15.092 17.051 125 H3* C 14 H3* C 14 33.980 -12.969 15.743 126 H2* C 14 H2* C 14 32.182 -14.390 15.066 127 2HO* C 14 2HO* C 14 32.539 -16.518 14.689 128 H1* C 14 H1* C 14 32.244 -16.303 16.885 129 1H4 C 14 1H4 C 14 28.446 -12.625 20.438 130 2H4 C 14 2H4 C 14 27.420 -13.604 19.413 131 H5 C 14 H5 C 14 30.852 -12.528 20.065 132 H6 C 14 H6 C 14 32.623 -13.285 18.630 133 1H5* C 15 1H5* C 15 34.488 -15.105 11.399 134 2H5* C 15 2H5* C 15 34.299 -13.501 10.667 135 H4* C 15 H4* C 15 32.500 -15.568 10.432 136 H3* C 15 H3* C 15 32.257 -12.574 10.216 137 H2* C 15 H2* C 15 29.995 -12.748 9.981 138 2HO* C 15 2HO* C 15 30.314 -14.714 8.547 139 H1* C 15 H1* C 15 29.563 -15.134 11.383 140 1H4 C 15 1H4 C 15 28.207 -11.794 16.631 141 2H4 C 15 2H4 C 15 26.682 -12.322 15.976 142 H5 C 15 H5 C 15 30.266 -11.983 15.559 143 H6 C 15 H6 C 15 31.474 -12.669 13.463 144 1H5* A 16 1H5* A 16 29.671 -11.796 5.856 145 2H5* A 16 2H5* A 16 29.921 -10.833 7.304 146 H4* A 16 H4* A 16 27.491 -12.246 6.305 147 H3* A 16 H3* A 16 27.770 -9.632 7.847 148 H2* A 16 H2* A 16 25.402 -10.081 8.613 149 2HO* A 16 2HO* A 16 24.151 -11.556 7.493 150 H1* A 16 H1* A 16 25.537 -12.544 8.808 151 H8 A 16 H8 A 16 28.619 -11.127 10.518 152 1H6 A 16 1H6 A 16 26.687 -10.701 14.861 153 2H6 A 16 2H6 A 16 25.020 -10.609 15.454 154 H2 A 16 H2 A 16 22.388 -11.011 11.860 155 1H5* C 17 1H5* C 17 24.826 -8.979 6.057 156 2H5* C 17 2H5* C 17 24.435 -7.372 5.426 157 H4* C 17 H4* C 17 22.851 -7.991 7.169 158 H3* C 17 H3* C 17 24.818 -5.849 7.953 159 H2* C 17 H2* C 17 23.591 -5.565 9.983 160 2HO* C 17 2HO* C 17 21.558 -6.691 10.231 161 H1* C 17 H1* C 17 22.901 -8.175 10.227 162 1H4 C 17 1H4 C 17 28.022 -8.866 14.040 163 2H4 C 17 2H4 C 17 26.662 -8.475 15.028 164 H5 C 17 H5 C 17 27.979 -8.602 11.406 165 H6 C 17 H6 C 17 26.479 -8.221 9.611 166 1H5* U 18 1H5* U 18 21.005 -1.653 8.688 167 2H5* U 18 2H5* U 18 22.725 -1.786 9.009 168 H4* U 18 H4* U 18 20.435 -3.089 10.539 169 H3* U 18 H3* U 18 21.608 -0.554 10.964 170 H2* U 18 H2* U 18 23.167 -1.361 12.739 171 2HO* U 18 2HO* U 18 21.700 -2.136 14.560 172 H1* U 18 H1* U 18 21.394 -3.558 13.148 173 H3 U 18 H3 U 18 24.537 -4.476 16.274 174 H5 U 18 H5 U 18 25.966 -5.548 12.468 175 H6 U 18 H6 U 18 24.322 -4.194 11.544 176 1H5* U 19 1H5* U 19 17.284 -2.266 11.365 177 2H5* U 19 2H5* U 19 16.052 -1.063 10.922 178 H4* U 19 H4* U 19 15.227 -2.422 12.898 179 H3* U 19 H3* U 19 15.014 0.375 13.100 180 H2* U 19 H2* U 19 17.403 0.495 14.212 181 2HO* U 19 2HO* U 19 15.522 1.657 15.262 182 H1* U 19 H1* U 19 16.108 -1.571 15.929 183 H3 U 19 H3 U 19 19.382 -1.541 19.017 184 H5 U 19 H5 U 19 21.423 -0.526 15.457 185 H6 U 19 H6 U 19 19.354 -0.643 14.310 186 1H5* A 20 1H5* A 20 13.127 -1.156 10.836 187 2H5* A 20 2H5* A 20 11.615 -1.979 11.269 188 H4* A 20 H4* A 20 13.030 -3.037 9.308 189 H3* A 20 H3* A 20 12.121 -4.576 11.783 190 H2* A 20 H2* A 20 13.150 -6.460 11.169 191 2HO* A 20 2HO* A 20 13.293 -7.102 9.148 192 H1* A 20 H1* A 20 15.284 -5.317 9.766 193 H8 A 20 H8 A 20 13.729 -5.933 13.228 194 1H6 A 20 1H6 A 20 19.446 -6.176 15.451 195 2H6 A 20 2H6 A 20 17.749 -6.368 15.825 196 H2 A 20 H2 A 20 19.695 -5.087 11.093 197 1H5* A 21 1H5* A 21 10.129 -8.482 10.894 198 2H5* A 21 2H5* A 21 11.387 -7.621 11.794 199 H4* A 21 H4* A 21 11.881 -9.826 9.707 200 H3* A 21 H3* A 21 11.430 -9.953 12.649 201 H2* A 21 H2* A 21 13.591 -10.464 13.256 202 2HO* A 21 2HO* A 21 13.512 -12.203 11.028 203 H1* A 21 H1* A 21 14.814 -10.634 10.738 204 H8 A 21 H8 A 21 14.543 -8.612 13.972 205 1H6 A 21 1H6 A 21 20.599 -7.716 13.081 206 2H6 A 21 2H6 A 21 19.353 -7.829 14.303 207 H2 A 21 H2 A 21 18.680 -8.815 9.164 208 1H5* A 22 1H5* A 22 13.097 -13.659 8.260 209 2H5* A 22 2H5* A 22 14.444 -13.492 9.364 210 H4* A 22 H4* A 22 13.994 -11.697 6.909 211 H3* A 22 H3* A 22 15.439 -14.291 7.378 212 H2* A 22 H2* A 22 17.485 -13.462 7.248 213 2HO* A 22 2HO* A 22 18.011 -12.195 5.288 214 H1* A 22 H1* A 22 16.735 -10.720 6.495 215 H8 A 22 H8 A 22 17.451 -11.757 10.047 216 1H6 A 22 1H6 A 22 23.271 -10.024 8.892 217 2H6 A 22 2H6 A 22 22.204 -10.627 10.135 218 H2 A 22 H2 A 22 21.033 -9.698 5.237 219 1H5* A 23 1H5* A 23 17.346 -13.722 3.582 220 2H5* A 23 2H5* A 23 16.863 -15.142 2.636 221 H4* A 23 H4* A 23 19.211 -15.131 2.463 222 H3* A 23 H3* A 23 18.694 -16.824 4.991 223 H2* A 23 H2* A 23 21.254 -17.274 4.908 224 2HO* A 23 2HO* A 23 21.452 -17.408 2.749 225 H1* A 23 H1* A 23 21.800 -14.619 4.452 226 H8 A 23 H8 A 23 18.863 -15.155 6.963 227 1H6 A 23 1H6 A 23 23.086 -13.876 11.224 228 2H6 A 23 2H6 A 23 21.430 -14.228 10.977 229 H2 A 23 H2 A 23 25.163 -14.103 7.209 230 1H5* A 24 1H5* A 24 22.292 -20.363 2.617 231 2H5* A 24 2H5* A 24 21.145 -21.294 3.599 232 H4* A 24 H4* A 24 23.598 -21.301 4.497 233 H3* A 24 H3* A 24 21.249 -21.064 6.184 234 H2* A 24 H2* A 24 22.389 -19.905 7.671 235 2HO* A 24 2HO* A 24 24.198 -20.924 8.618 236 H1* A 24 H1* A 24 25.004 -20.021 6.204 237 H8 A 24 H8 A 24 22.462 -17.761 8.157 238 1H6 A 24 1H6 A 24 27.462 -14.533 9.642 239 2H6 A 24 2H6 A 24 25.778 -14.818 10.018 240 H2 A 24 H2 A 24 28.490 -17.126 6.194 241 1H5* C 25 1H5* C 25 20.117 -24.750 8.186 242 2H5* C 25 2H5* C 25 19.539 -23.377 9.125 243 H4* C 25 H4* C 25 22.252 -23.372 9.715 244 H3* C 25 H3* C 25 21.541 -26.262 9.517 245 H2* C 25 H2* C 25 22.627 -26.619 11.497 246 2HO* C 25 2HO* C 25 23.824 -24.234 11.946 247 H1* C 25 H1* C 25 22.187 -24.140 12.700 248 1H4 C 25 1H4 C 25 18.925 -28.276 16.246 249 2H4 C 25 2H4 C 25 17.871 -28.671 14.907 250 H5 C 25 H5 C 25 18.109 -27.690 12.702 251 H6 C 25 H6 C 25 19.438 -26.205 11.332 252 1H5* A 26 1H5* A 26 27.050 -25.019 10.118 253 2H5* A 26 2H5* A 26 25.719 -23.884 9.917 254 H4* A 26 H4* A 26 27.781 -23.990 7.743 255 H3* A 26 H3* A 26 28.353 -23.090 10.551 256 H2* A 26 H2* A 26 29.159 -21.035 9.928 257 2HO* A 26 2HO* A 26 30.697 -21.664 8.469 258 H1* A 26 H1* A 26 27.657 -20.506 7.670 259 H8 A 26 H8 A 26 25.216 -21.411 10.362 260 1H6 A 26 1H6 A 26 26.703 -16.086 13.203 261 2H6 A 26 2H6 A 26 25.644 -17.470 13.291 262 H2 A 26 H2 A 26 29.491 -16.715 9.763 263 1H5* C 27 1H5* C 27 32.589 -23.298 9.189 264 2H5* C 27 2H5* C 27 33.539 -24.324 10.281 265 H4* C 27 H4* C 27 34.600 -22.091 10.146 266 H3* C 27 H3* C 27 33.058 -21.997 12.726 267 H2* C 27 H2* C 27 34.359 -20.001 13.082 268 2HO* C 27 2HO* C 27 36.327 -20.563 12.350 269 H1* C 27 H1* C 27 34.036 -19.223 10.400 270 1H4 C 27 1H4 C 27 30.208 -15.464 13.683 271 2H4 C 27 2H4 C 27 29.004 -16.720 13.854 272 H5 C 27 H5 C 27 29.417 -18.912 13.352 273 H6 C 27 H6 C 27 30.748 -20.475 11.841 274 1H5* C 28 1H5* C 28 38.038 -20.745 13.208 275 2H5* C 28 2H5* C 28 38.146 -21.805 14.622 276 H4* C 28 H4* C 28 39.117 -19.352 14.723 277 H3* C 28 H3* C 28 37.628 -20.907 16.769 278 H2* C 28 H2* C 28 37.230 -19.155 18.195 279 2HO* C 28 2HO* C 28 39.176 -18.320 18.578 280 H1* C 28 H1* C 28 37.012 -16.997 16.400 281 1H4 C 28 1H4 C 28 31.297 -20.102 17.685 282 2H4 C 28 2H4 C 28 31.327 -18.689 18.724 283 H5 C 28 H5 C 28 33.030 -20.765 16.327 284 H6 C 28 H6 C 28 35.163 -20.025 15.160 285 1H5* G 29 1H5* G 29 41.026 -19.925 19.020 286 2H5* G 29 2H5* G 29 41.845 -21.136 20.023 287 H4* G 29 H4* G 29 40.693 -19.253 21.291 288 H3* G 29 H3* G 29 39.358 -21.939 21.774 289 H2* G 29 H2* G 29 37.923 -20.854 23.316 290 2HO* G 29 2HO* G 29 38.278 -18.669 23.905 291 H1* G 29 H1* G 29 37.540 -18.587 21.695 292 H8 G 29 H8 G 29 37.321 -21.375 19.149 293 H1 G 29 H1 G 29 31.687 -19.653 21.731 294 1H2 G 29 1H2 G 29 33.833 -18.218 24.335 295 2H2 G 29 2H2 G 29 32.197 -18.471 23.767 296 1H5* G 30 1H5* G 30 40.892 -20.948 25.402 297 2H5* G 30 2H5* G 30 41.237 -22.127 26.681 298 H4* G 30 H4* G 30 39.112 -20.744 26.913 299 H3* G 30 H3* G 30 38.933 -23.761 26.772 300 H2* G 30 H2* G 30 36.599 -23.645 26.975 301 2HO* G 30 2HO* G 30 37.235 -21.529 28.561 302 H1* G 30 H1* G 30 36.359 -21.042 25.801 303 H8 G 30 H8 G 30 37.816 -23.016 22.915 304 H1 G 30 H1 G 30 31.457 -22.968 23.153 305 1H2 G 30 1H2 G 30 31.789 -22.040 26.511 306 2H2 G 30 2H2 G 30 30.720 -22.396 25.169 Start of MODEL 15 1 1H5* A 3 1H5* A 3 24.743 -3.224 27.146 2 2H5* A 3 2H5* A 3 23.030 -3.453 27.638 3 H4* A 3 H4* A 3 22.951 -1.884 25.902 4 H3* A 3 H3* A 3 22.685 -4.479 24.214 5 H2* A 3 H2* A 3 22.353 -3.097 22.380 6 2HO* A 3 2HO* A 3 21.800 -1.006 22.451 7 H1* A 3 H1* A 3 24.595 -1.473 23.001 8 H8 A 3 H8 A 3 26.088 -4.373 23.605 9 1H6 A 3 1H6 A 3 27.234 -5.512 18.991 10 2H6 A 3 2H6 A 3 26.529 -5.028 17.436 11 H2 A 3 H2 A 3 23.117 -2.282 18.402 12 1H5* G 4 1H5* G 4 19.783 -3.390 23.246 13 2H5* G 4 2H5* G 4 18.104 -3.943 23.426 14 H4* G 4 H4* G 4 18.431 -3.747 21.141 15 H3* G 4 H3* G 4 19.600 -6.674 21.321 16 H2* G 4 H2* G 4 19.720 -6.578 18.883 17 2HO* G 4 2HO* G 4 18.889 -4.756 17.799 18 H1* G 4 H1* G 4 20.695 -4.041 18.922 19 H8 G 4 H8 G 4 22.713 -5.521 21.532 20 H1 G 4 H1 G 4 24.261 -6.669 15.381 21 1H2 G 4 1H2 G 4 20.809 -5.628 15.102 22 2H2 G 4 2H2 G 4 22.239 -6.147 14.255 23 1H5* U 5 1H5* U 5 16.256 -6.879 19.165 24 2H5* U 5 2H5* U 5 14.984 -8.092 19.287 25 H4* U 5 H4* U 5 15.693 -7.961 16.992 26 H3* U 5 H3* U 5 17.104 -10.468 18.092 27 H2* U 5 H2* U 5 17.504 -10.763 15.708 28 2HO* U 5 2HO* U 5 15.463 -9.044 15.593 29 H1* U 5 H1* U 5 18.355 -8.361 15.403 30 H3 U 5 H3 U 5 22.416 -9.869 15.179 31 H5 U 5 H5 U 5 21.784 -8.856 19.225 32 H6 U 5 H6 U 5 19.388 -8.748 18.736 33 1H5* G 6 1H5* G 6 16.597 -13.010 13.655 34 2H5* G 6 2H5* G 6 15.708 -14.092 14.823 35 H4* G 6 H4* G 6 17.782 -14.975 14.505 36 H3* G 6 H3* G 6 16.959 -13.739 17.078 37 H2* G 6 H2* G 6 18.755 -12.335 16.588 38 2HO* G 6 2HO* G 6 18.774 -12.465 18.553 39 H1* G 6 H1* G 6 20.172 -14.631 15.408 40 H8 G 6 H8 G 6 20.844 -12.151 18.050 41 H1 G 6 H1 G 6 26.160 -12.961 14.678 42 1H2 G 6 1H2 G 6 24.271 -14.212 12.043 43 2H2 G 6 2H2 G 6 25.839 -13.772 12.676 44 1H5* G 7 1H5* G 7 20.137 -17.896 17.506 45 2H5* G 7 2H5* G 7 19.688 -16.287 16.828 46 H4* G 7 H4* G 7 20.019 -17.933 14.616 47 H3* G 7 H3* G 7 21.892 -18.966 16.720 48 H2* G 7 H2* G 7 23.919 -18.260 15.515 49 2HO* G 7 2HO* G 7 22.105 -18.383 13.357 50 H1* G 7 H1* G 7 23.267 -16.164 14.502 51 H8 G 7 H8 G 7 21.485 -15.321 17.660 52 H1 G 7 H1 G 7 27.951 -14.744 17.846 53 1H2 G 7 1H2 G 7 27.694 -16.806 14.829 54 2H2 G 7 2H2 G 7 28.726 -15.937 15.929 55 1H5* CH 8 1H5* CH 8 22.796 -21.409 13.449 56 2H5* CH 8 2H5* CH 8 23.118 -23.122 13.755 57 H4* CH 8 H4* CH 8 25.292 -21.855 13.211 58 H3* CH 8 H3* CH 8 24.681 -22.906 16.126 59 H2* CH 8 H2* CH 8 26.866 -22.173 16.721 60 2HO* CH 8 2HO* CH 8 28.465 -21.547 14.932 61 H1* CH 8 H1* CH 8 27.108 -20.423 14.724 62 HN3 CH 8 HN3 CH 8 29.354 -18.522 17.969 63 1H4 CH 8 1H4 CH 8 27.271 -16.658 20.045 64 2H4 CH 8 2H4 CH 8 28.936 -16.897 19.701 65 H5 CH 8 H5 CH 8 25.342 -17.917 19.151 66 H6 CH 8 H6 CH 8 24.655 -19.481 17.311 67 1H5* G 9 1H5* G 9 21.862 -24.948 15.420 68 2H5* G 9 2H5* G 9 22.450 -23.449 16.189 69 H4* G 9 H4* G 9 20.734 -24.764 17.510 70 H3* G 9 H3* G 9 23.296 -23.770 18.444 71 H2* G 9 H2* G 9 23.960 -25.390 19.945 72 2HO* G 9 2HO* G 9 22.224 -25.003 21.314 73 H1* G 9 H1* G 9 22.585 -27.626 19.244 74 H8 G 9 H8 G 9 25.171 -25.099 18.113 75 H1 G 9 H1 G 9 26.437 -31.021 16.127 76 1H2 G 9 1H2 G 9 24.706 -32.337 16.512 77 2H2 G 9 2H2 G 9 23.232 -31.766 17.260 78 1H5* C 10 1H5* C 10 20.961 -22.895 22.576 79 2H5* C 10 2H5* C 10 20.970 -21.092 22.383 80 H4* C 10 H4* C 10 21.836 -21.831 24.673 81 H3* C 10 H3* C 10 24.019 -20.519 22.943 82 H2* C 10 H2* C 10 25.480 -20.684 24.580 83 2HO* C 10 2HO* C 10 23.210 -21.432 26.145 84 H1* C 10 H1* C 10 25.017 -23.279 25.005 85 1H4 C 10 1H4 C 10 28.215 -24.551 19.616 86 2H4 C 10 2H4 C 10 29.465 -24.052 20.755 87 H5 C 10 H5 C 10 25.831 -24.214 20.017 88 H6 C 10 H6 C 10 24.187 -23.619 21.602 89 1H5* C 11 1H5* C 11 23.300 -15.488 25.455 90 2H5* C 11 2H5* C 11 23.095 -16.650 24.108 91 H4* C 11 H4* C 11 25.433 -16.768 26.111 92 H3* C 11 H3* C 11 25.694 -15.152 23.481 93 H2* C 11 H2* C 11 27.814 -15.939 23.327 94 2HO* C 11 2HO* C 11 27.737 -15.629 26.032 95 H1* C 11 H1* C 11 27.441 -18.270 24.880 96 1H4 C 11 1H4 C 11 27.946 -21.430 19.552 97 2H4 C 11 2H4 C 11 29.535 -21.141 20.079 98 H5 C 11 H5 C 11 25.927 -20.243 20.463 99 H6 C 11 H6 C 11 25.341 -18.579 22.046 100 1H5* G 12 1H5* G 12 28.802 -12.984 26.233 101 2H5* G 12 2H5* G 12 28.575 -11.273 25.753 102 H4* G 12 H4* G 12 31.011 -12.006 25.779 103 H3* G 12 H3* G 12 30.064 -11.561 22.882 104 H2* G 12 H2* G 12 32.229 -11.772 22.307 105 2HO* G 12 2HO* G 12 33.861 -12.429 23.918 106 H1* G 12 H1* G 12 32.633 -14.032 23.502 107 H8 G 12 H8 G 12 29.046 -14.221 22.719 108 H1 G 12 H1 G 12 32.900 -17.312 18.797 109 1H2 G 12 1H2 G 12 35.565 -15.626 20.390 110 2H2 G 12 2H2 G 12 35.091 -16.827 19.189 111 1H5* A 13 1H5* A 13 32.758 -8.125 20.995 112 2H5* A 13 2H5* A 13 31.432 -9.079 20.352 113 H4* A 13 H4* A 13 32.730 -10.112 18.732 114 H3* A 13 H3* A 13 34.639 -10.623 20.800 115 H2* A 13 H2* A 13 35.919 -8.717 20.547 116 2HO* A 13 2HO* A 13 37.578 -9.103 18.918 117 H1* A 13 H1* A 13 35.428 -8.375 17.613 118 H8 A 13 H8 A 13 33.875 -5.852 19.523 119 1H6 A 13 1H6 A 13 39.195 -2.873 20.373 120 2H6 A 13 2H6 A 13 37.456 -2.767 20.532 121 H2 A 13 H2 A 13 40.116 -6.963 18.759 122 1H5* C 14 1H5* C 14 35.473 -13.576 18.411 123 2H5* C 14 2H5* C 14 36.900 -14.217 17.665 124 H4* C 14 H4* C 14 35.760 -15.644 16.437 125 H3* C 14 H3* C 14 34.402 -13.182 15.397 126 H2* C 14 H2* C 14 32.265 -14.145 15.352 127 2HO* C 14 2HO* C 14 31.825 -16.243 15.171 128 H1* C 14 H1* C 14 32.700 -16.209 16.919 129 1H4 C 14 1H4 C 14 29.171 -12.623 20.662 130 2H4 C 14 2H4 C 14 28.112 -13.540 19.599 131 H5 C 14 H5 C 14 31.573 -12.555 20.181 132 H6 C 14 H6 C 14 33.300 -13.373 18.692 133 1H5* C 15 1H5* C 15 34.754 -13.452 10.558 134 2H5* C 15 2H5* C 15 34.043 -11.858 10.637 135 H4* C 15 H4* C 15 32.814 -14.352 9.996 136 H3* C 15 H3* C 15 31.519 -11.648 10.473 137 H2* C 15 H2* C 15 29.552 -12.640 9.933 138 2HO* C 15 2HO* C 15 29.485 -14.478 9.007 139 H1* C 15 H1* C 15 29.899 -14.968 11.512 140 1H4 C 15 1H4 C 15 29.052 -11.623 16.926 141 2H4 C 15 2H4 C 15 27.428 -12.070 16.532 142 H5 C 15 H5 C 15 30.801 -11.805 15.701 143 H6 C 15 H6 C 15 31.768 -12.536 13.628 144 1H5* A 16 1H5* A 16 29.157 -12.869 6.975 145 2H5* A 16 2H5* A 16 28.791 -11.312 6.383 146 H4* A 16 H4* A 16 26.825 -12.871 6.999 147 H3* A 16 H3* A 16 27.074 -9.993 7.789 148 H2* A 16 H2* A 16 24.973 -10.263 9.209 149 2HO* A 16 2HO* A 16 24.479 -12.203 7.167 150 H1* A 16 H1* A 16 25.122 -12.836 9.615 151 H8 A 16 H8 A 16 28.205 -11.390 11.141 152 1H6 A 16 1H6 A 16 26.431 -10.280 15.410 153 2H6 A 16 2H6 A 16 24.807 -9.955 16.038 154 H2 A 16 H2 A 16 22.013 -10.581 12.580 155 1H5* C 17 1H5* C 17 23.286 -7.270 5.851 156 2H5* C 17 2H5* C 17 24.936 -7.018 6.473 157 H4* C 17 H4* C 17 22.378 -7.750 7.984 158 H3* C 17 H3* C 17 24.184 -5.315 8.327 159 H2* C 17 H2* C 17 23.392 -5.158 10.474 160 2HO* C 17 2HO* C 17 21.469 -6.232 11.136 161 H1* C 17 H1* C 17 22.771 -7.822 10.725 162 1H4 C 17 1H4 C 17 27.741 -7.805 14.754 163 2H4 C 17 2H4 C 17 26.348 -7.268 15.618 164 H5 C 17 H5 C 17 27.789 -7.936 12.082 165 H6 C 17 H6 C 17 26.329 -7.850 10.218 166 1H5* U 18 1H5* U 18 20.853 -1.046 9.050 167 2H5* U 18 2H5* U 18 22.559 -1.468 9.173 168 H4* U 18 H4* U 18 20.364 -2.487 11.017 169 H3* U 18 H3* U 18 21.678 0.033 11.182 170 H2* U 18 H2* U 18 23.290 -0.709 12.928 171 2HO* U 18 2HO* U 18 20.664 -0.607 13.896 172 H1* U 18 H1* U 18 21.504 -2.842 13.451 173 H3 U 18 H3 U 18 24.672 -3.613 16.585 174 H5 U 18 H5 U 18 26.110 -4.882 12.858 175 H6 U 18 H6 U 18 24.481 -3.572 11.831 176 1H5* U 19 1H5* U 19 17.420 -2.555 12.240 177 2H5* U 19 2H5* U 19 16.251 -1.643 11.312 178 H4* U 19 H4* U 19 15.155 -2.429 13.463 179 H3* U 19 H3* U 19 14.838 0.351 13.097 180 H2* U 19 H2* U 19 17.152 0.798 14.248 181 2HO* U 19 2HO* U 19 15.266 2.116 14.948 182 H1* U 19 H1* U 19 15.863 -0.893 16.349 183 H3 U 19 H3 U 19 19.089 -0.487 19.443 184 H5 U 19 H5 U 19 21.175 0.156 15.824 185 H6 U 19 H6 U 19 19.155 -0.078 14.676 186 1H5* A 20 1H5* A 20 12.432 -1.897 11.205 187 2H5* A 20 2H5* A 20 11.263 -2.892 12.101 188 H4* A 20 H4* A 20 12.657 -4.141 10.228 189 H3* A 20 H3* A 20 12.376 -5.061 13.114 190 H2* A 20 H2* A 20 13.913 -6.630 12.969 191 2HO* A 20 2HO* A 20 14.453 -7.588 10.900 192 H1* A 20 H1* A 20 15.470 -5.650 10.851 193 H8 A 20 H8 A 20 14.463 -5.104 14.537 194 1H6 A 20 1H6 A 20 18.760 -4.439 16.494 195 2H6 A 20 2H6 A 20 20.378 -4.360 15.847 196 H2 A 20 H2 A 20 20.065 -4.847 11.443 197 1H5* A 21 1H5* A 21 12.804 -7.682 9.873 198 2H5* A 21 2H5* A 21 11.748 -8.204 8.564 199 H4* A 21 H4* A 21 12.417 -10.409 8.775 200 H3* A 21 H3* A 21 11.763 -9.991 11.608 201 H2* A 21 H2* A 21 13.624 -10.863 12.456 202 2HO* A 21 2HO* A 21 13.906 -12.803 10.517 203 H1* A 21 H1* A 21 15.167 -11.495 10.201 204 H8 A 21 H8 A 21 15.362 -10.003 13.486 205 1H6 A 21 1H6 A 21 20.439 -6.953 11.923 206 2H6 A 21 2H6 A 21 19.428 -7.464 13.254 207 H2 A 21 H2 A 21 18.643 -8.569 8.170 208 1H5* A 22 1H5* A 22 13.697 -14.449 8.284 209 2H5* A 22 2H5* A 22 14.860 -14.067 9.534 210 H4* A 22 H4* A 22 14.795 -12.732 6.779 211 H3* A 22 H3* A 22 16.270 -15.096 7.955 212 H2* A 22 H2* A 22 18.312 -14.272 7.600 213 2HO* A 22 2HO* A 22 18.603 -14.554 5.513 214 H1* A 22 H1* A 22 17.455 -11.655 6.572 215 H8 A 22 H8 A 22 17.834 -12.297 10.296 216 1H6 A 22 1H6 A 22 23.299 -9.509 9.669 217 2H6 A 22 2H6 A 22 22.133 -10.097 10.832 218 H2 A 22 H2 A 22 21.731 -10.182 5.731 219 1H5* A 23 1H5* A 23 17.628 -15.823 4.541 220 2H5* A 23 2H5* A 23 17.340 -17.438 3.865 221 H4* A 23 H4* A 23 19.653 -17.278 3.886 222 H3* A 23 H3* A 23 19.061 -18.337 6.730 223 H2* A 23 H2* A 23 21.617 -18.752 6.792 224 2HO* A 23 2HO* A 23 22.086 -19.178 4.776 225 H1* A 23 H1* A 23 22.011 -16.177 5.848 226 H8 A 23 H8 A 23 18.982 -16.243 8.319 227 1H6 A 23 1H6 A 23 21.523 -14.101 12.079 228 2H6 A 23 2H6 A 23 23.127 -13.505 12.102 229 H2 A 23 H2 A 23 25.150 -14.745 8.277 230 1H5* A 24 1H5* A 24 22.578 -22.434 4.483 231 2H5* A 24 2H5* A 24 21.488 -23.275 5.599 232 H4* A 24 H4* A 24 23.907 -23.461 6.394 233 H3* A 24 H3* A 24 22.011 -22.364 8.374 234 H2* A 24 H2* A 24 23.994 -22.286 9.752 235 2HO* A 24 2HO* A 24 25.844 -23.372 8.943 236 H1* A 24 H1* A 24 25.831 -21.721 7.906 237 H8 A 24 H8 A 24 23.024 -20.316 9.907 238 1H6 A 24 1H6 A 24 26.386 -15.161 10.372 239 2H6 A 24 2H6 A 24 25.079 -16.085 11.075 240 H2 A 24 H2 A 24 28.146 -17.735 7.104 241 1H5* C 25 1H5* C 25 20.376 -25.832 10.393 242 2H5* C 25 2H5* C 25 21.561 -24.666 9.864 243 H4* C 25 H4* C 25 22.255 -26.131 11.680 244 H3* C 25 H3* C 25 23.859 -25.406 9.478 245 H2* C 25 H2* C 25 23.801 -27.294 8.350 246 2HO* C 25 2HO* C 25 25.823 -28.273 10.063 247 H1* C 25 H1* C 25 24.087 -28.993 10.800 248 1H4 C 25 1H4 C 25 22.689 -33.350 6.412 249 2H4 C 25 2H4 C 25 21.112 -32.620 6.213 250 H5 C 25 H5 C 25 20.391 -30.741 7.583 251 H6 C 25 H6 C 25 21.293 -28.680 8.674 252 1H5* A 26 1H5* A 26 27.046 -22.986 12.396 253 2H5* A 26 2H5* A 26 25.814 -23.500 11.232 254 H4* A 26 H4* A 26 27.866 -24.228 9.771 255 H3* A 26 H3* A 26 29.179 -22.713 11.928 256 H2* A 26 H2* A 26 29.939 -20.919 10.752 257 2HO* A 26 2HO* A 26 30.330 -21.212 8.387 258 H1* A 26 H1* A 26 28.274 -20.811 8.540 259 H8 A 26 H8 A 26 25.956 -20.909 11.335 260 1H6 A 26 1H6 A 26 27.507 -15.181 12.900 261 2H6 A 26 2H6 A 26 26.392 -16.498 13.176 262 H2 A 26 H2 A 26 30.438 -16.623 9.808 263 1H5* C 27 1H5* C 27 32.550 -23.625 10.089 264 2H5* C 27 2H5* C 27 33.477 -25.069 9.585 265 H4* C 27 H4* C 27 35.182 -24.553 11.003 266 H3* C 27 H3* C 27 33.379 -25.130 13.087 267 H2* C 27 H2* C 27 32.699 -23.131 13.700 268 2HO* C 27 2HO* C 27 34.052 -23.610 15.392 269 H1* C 27 H1* C 27 35.069 -21.663 13.005 270 1H4 C 27 1H4 C 27 31.983 -16.750 13.486 271 2H4 C 27 2H4 C 27 32.348 -16.590 11.784 272 H5 C 27 H5 C 27 33.902 -18.754 10.776 273 H6 C 27 H6 C 27 32.977 -20.873 10.406 274 1H5* C 28 1H5* C 28 37.237 -23.211 13.725 275 2H5* C 28 2H5* C 28 38.335 -23.938 14.916 276 H4* C 28 H4* C 28 38.683 -21.516 14.820 277 H3* C 28 H3* C 28 37.450 -22.748 17.226 278 H2* C 28 H2* C 28 37.039 -20.750 18.281 279 2HO* C 28 2HO* C 28 39.065 -19.899 18.317 280 H1* C 28 H1* C 28 36.771 -19.075 15.958 281 1H4 C 28 1H4 C 28 30.744 -20.483 18.036 282 2H4 C 28 2H4 C 28 31.171 -19.006 18.883 283 H5 C 28 H5 C 28 32.126 -21.588 16.608 284 H6 C 28 H6 C 28 34.379 -21.855 15.555 285 1H5* G 29 1H5* G 29 40.333 -21.112 19.331 286 2H5* G 29 2H5* G 29 41.011 -22.044 20.676 287 H4* G 29 H4* G 29 39.565 -20.045 21.285 288 H3* G 29 H3* G 29 38.292 -22.653 22.203 289 H2* G 29 H2* G 29 36.743 -21.272 23.317 290 2HO* G 29 2HO* G 29 37.066 -19.029 23.499 291 H1* G 29 H1* G 29 36.586 -19.386 21.250 292 H8 G 29 H8 G 29 36.219 -22.577 19.281 293 H1 G 29 H1 G 29 30.683 -20.134 21.373 294 1H2 G 29 1H2 G 29 32.878 -18.336 23.700 295 2H2 G 29 2H2 G 29 31.239 -18.613 23.158 296 1H5* G 30 1H5* G 30 39.211 -20.733 25.460 297 2H5* G 30 2H5* G 30 39.242 -21.427 27.092 298 H4* G 30 H4* G 30 37.122 -20.220 26.352 299 H3* G 30 H3* G 30 37.050 -23.084 27.303 300 H2* G 30 H2* G 30 34.798 -23.255 26.783 301 2HO* G 30 2HO* G 30 33.445 -21.330 26.896 302 H1* G 30 H1* G 30 34.785 -20.807 25.199 303 H8 G 30 H8 G 30 36.084 -23.257 22.625 304 H1 G 30 H1 G 30 29.709 -23.033 22.992 305 1H2 G 30 1H2 G 30 30.163 -21.594 26.154 306 2H2 G 30 2H2 G 30 29.050 -22.137 24.916 Start of MODEL 16 1 1H5* A 3 1H5* A 3 25.963 -3.263 26.145 2 2H5* A 3 2H5* A 3 24.341 -3.559 26.861 3 H4* A 3 H4* A 3 23.928 -2.078 25.170 4 H3* A 3 H3* A 3 23.668 -4.700 23.511 5 H2* A 3 H2* A 3 23.020 -3.385 21.715 6 2HO* A 3 2HO* A 3 22.200 -1.395 21.872 7 H1* A 3 H1* A 3 25.184 -1.572 22.067 8 H8 A 3 H8 A 3 27.000 -4.310 22.498 9 1H6 A 3 1H6 A 3 27.794 -5.412 17.913 10 2H6 A 3 2H6 A 3 26.919 -5.081 16.408 11 H2 A 3 H2 A 3 23.303 -2.688 17.586 12 1H5* G 4 1H5* G 4 20.537 -3.919 23.028 13 2H5* G 4 2H5* G 4 18.960 -4.647 23.392 14 H4* G 4 H4* G 4 19.047 -4.493 21.064 15 H3* G 4 H3* G 4 20.555 -7.274 21.225 16 H2* G 4 H2* G 4 20.411 -7.265 18.808 17 2HO* G 4 2HO* G 4 19.294 -5.603 17.745 18 H1* G 4 H1* G 4 21.123 -4.659 18.649 19 H8 G 4 H8 G 4 23.577 -5.835 21.080 20 H1 G 4 H1 G 4 24.639 -7.070 14.833 21 1H2 G 4 1H2 G 4 21.076 -6.421 14.825 22 2H2 G 4 2H2 G 4 22.483 -6.831 13.887 23 1H5* U 5 1H5* U 5 16.462 -9.077 19.813 24 2H5* U 5 2H5* U 5 16.556 -10.790 20.066 25 H4* U 5 H4* U 5 16.392 -9.745 17.606 26 H3* U 5 H3* U 5 18.715 -11.778 17.915 27 H2* U 5 H2* U 5 18.844 -11.606 15.576 28 2HO* U 5 2HO* U 5 16.446 -10.080 15.855 29 H1* U 5 H1* U 5 18.990 -8.991 15.597 30 H3 U 5 H3 U 5 23.158 -10.228 14.998 31 H5 U 5 H5 U 5 22.721 -9.395 19.129 32 H6 U 5 H6 U 5 20.285 -9.462 18.809 33 1H5* G 6 1H5* G 6 16.468 -13.165 15.585 34 2H5* G 6 2H5* G 6 15.815 -14.760 15.157 35 H4* G 6 H4* G 6 17.380 -14.118 13.481 36 H3* G 6 H3* G 6 18.604 -16.061 15.434 37 H2* G 6 H2* G 6 20.604 -16.003 14.192 38 2HO* G 6 2HO* G 6 18.863 -15.499 12.126 39 H1* G 6 H1* G 6 20.373 -13.465 13.284 40 H8 G 6 H8 G 6 20.414 -13.131 17.046 41 H1 G 6 H1 G 6 26.133 -13.219 14.173 42 1H2 G 6 1H2 G 6 24.377 -14.725 11.504 43 2H2 G 6 2H2 G 6 25.905 -14.144 12.136 44 1H5* G 7 1H5* G 7 19.794 -19.835 15.678 45 2H5* G 7 2H5* G 7 19.347 -18.157 16.018 46 H4* G 7 H4* G 7 20.908 -18.114 13.628 47 H3* G 7 H3* G 7 21.919 -20.294 15.344 48 H2* G 7 H2* G 7 23.628 -19.154 16.228 49 2HO* G 7 2HO* G 7 24.167 -19.109 13.510 50 H1* G 7 H1* G 7 23.405 -16.821 14.641 51 H8 G 7 H8 G 7 21.799 -16.040 17.850 52 H1 G 7 H1 G 7 28.120 -14.876 17.530 53 1H2 G 7 1H2 G 7 27.916 -17.176 14.796 54 2H2 G 7 2H2 G 7 28.924 -16.132 15.774 55 1H5* CH 8 1H5* CH 8 23.776 -23.893 13.860 56 2H5* CH 8 2H5* CH 8 23.698 -23.597 15.616 57 H4* CH 8 H4* CH 8 26.001 -22.818 13.688 58 H3* CH 8 H3* CH 8 25.725 -23.799 16.721 59 H2* CH 8 H2* CH 8 27.944 -22.909 16.953 60 2HO* CH 8 2HO* CH 8 29.165 -22.277 14.902 61 H1* CH 8 H1* CH 8 27.748 -21.210 14.929 62 HN3 CH 8 HN3 CH 8 29.948 -18.758 17.829 63 1H4 CH 8 1H4 CH 8 29.585 -17.475 19.159 64 2H4 CH 8 2H4 CH 8 28.164 -17.003 20.034 65 H5 CH 8 H5 CH 8 26.006 -18.767 19.384 66 H6 CH 8 H6 CH 8 25.421 -20.490 17.647 67 1H5* G 9 1H5* G 9 25.241 -25.710 18.091 68 2H5* G 9 2H5* G 9 23.954 -26.883 17.715 69 H4* G 9 H4* G 9 23.643 -23.908 18.367 70 H3* G 9 H3* G 9 24.039 -26.100 20.098 71 H2* G 9 H2* G 9 22.022 -27.072 19.791 72 2HO* G 9 2HO* G 9 21.683 -25.059 21.685 73 H1* G 9 H1* G 9 20.511 -24.572 19.263 74 H8 G 9 H8 G 9 21.110 -27.290 16.714 75 H1 G 9 H1 G 9 15.485 -27.841 19.665 76 1H2 G 9 1H2 G 9 16.735 -25.416 21.837 77 2H2 G 9 2H2 G 9 15.403 -26.466 21.407 78 1H5* C 10 1H5* C 10 20.941 -23.619 23.300 79 2H5* C 10 2H5* C 10 20.667 -21.813 23.334 80 H4* C 10 H4* C 10 21.723 -22.641 25.495 81 H3* C 10 H3* C 10 23.595 -20.835 23.814 82 H2* C 10 H2* C 10 25.152 -20.915 25.369 83 2HO* C 10 2HO* C 10 24.851 -21.705 27.372 84 H1* C 10 H1* C 10 25.121 -23.587 25.531 85 1H4 C 10 1H4 C 10 27.894 -23.917 19.723 86 2H4 C 10 2H4 C 10 29.186 -23.327 20.766 87 H5 C 10 H5 C 10 25.567 -23.964 20.391 88 H6 C 10 H6 C 10 24.060 -23.774 22.173 89 1H5* C 11 1H5* C 11 23.734 -16.328 27.569 90 2H5* C 11 2H5* C 11 23.366 -16.139 25.833 91 H4* C 11 H4* C 11 25.862 -17.408 27.216 92 H3* C 11 H3* C 11 26.053 -15.152 25.085 93 H2* C 11 H2* C 11 27.920 -16.095 24.371 94 2HO* C 11 2HO* C 11 28.370 -16.273 27.059 95 H1* C 11 H1* C 11 27.602 -18.625 25.683 96 1H4 C 11 1H4 C 11 28.026 -20.829 19.822 97 2H4 C 11 2H4 C 11 29.614 -20.401 20.256 98 H5 C 11 H5 C 11 25.991 -20.135 21.109 99 H6 C 11 H6 C 11 25.363 -18.797 22.937 100 1H5* G 12 1H5* G 12 27.882 -11.157 25.582 101 2H5* G 12 2H5* G 12 27.544 -12.561 24.477 102 H4* G 12 H4* G 12 30.321 -11.769 25.678 103 H3* G 12 H3* G 12 29.474 -10.543 22.952 104 H2* G 12 H2* G 12 31.230 -11.349 21.898 105 2HO* G 12 2HO* G 12 32.432 -10.818 24.295 106 H1* G 12 H1* G 12 32.099 -13.370 23.268 107 H8 G 12 H8 G 12 28.622 -14.367 22.574 108 H1 G 12 H1 G 12 33.197 -16.572 18.657 109 1H2 G 12 1H2 G 12 35.244 -14.156 20.205 110 2H2 G 12 2H2 G 12 35.135 -15.474 19.046 111 1H5* A 13 1H5* A 13 33.383 -7.589 21.727 112 2H5* A 13 2H5* A 13 32.404 -8.564 20.621 113 H4* A 13 H4* A 13 34.600 -8.889 19.879 114 H3* A 13 H3* A 13 33.288 -11.079 21.164 115 H2* A 13 H2* A 13 34.879 -11.884 22.578 116 2HO* A 13 2HO* A 13 35.934 -12.211 20.107 117 H1* A 13 H1* A 13 37.158 -10.257 21.900 118 H8 A 13 H8 A 13 34.348 -10.850 24.524 119 1H6 A 13 1H6 A 13 36.811 -9.482 28.410 120 2H6 A 13 2H6 A 13 38.384 -8.754 28.642 121 H2 A 13 H2 A 13 40.172 -8.191 24.558 122 1H5* C 14 1H5* C 14 36.186 -13.408 18.450 123 2H5* C 14 2H5* C 14 37.265 -13.062 17.107 124 H4* C 14 H4* C 14 36.224 -14.943 16.311 125 H3* C 14 H3* C 14 34.482 -12.602 15.498 126 H2* C 14 H2* C 14 32.751 -14.121 14.741 127 2HO* C 14 2HO* C 14 33.202 -16.241 14.345 128 H1* C 14 H1* C 14 33.148 -16.003 16.537 129 1H4 C 14 1H4 C 14 29.268 -12.431 20.203 130 2H4 C 14 2H4 C 14 28.210 -13.458 19.276 131 H5 C 14 H5 C 14 31.650 -12.224 19.693 132 H6 C 14 H6 C 14 33.405 -12.931 18.155 133 1H5* C 15 1H5* C 15 34.651 -14.713 11.352 134 2H5* C 15 2H5* C 15 34.608 -13.294 10.305 135 H4* C 15 H4* C 15 32.867 -15.188 10.011 136 H3* C 15 H3* C 15 32.181 -12.269 9.909 137 H2* C 15 H2* C 15 29.953 -12.766 9.599 138 2HO* C 15 2HO* C 15 29.493 -14.740 8.859 139 H1* C 15 H1* C 15 29.786 -15.108 11.079 140 1H4 C 15 1H4 C 15 28.807 -11.629 16.432 141 2H4 C 15 2H4 C 15 27.228 -12.185 15.944 142 H5 C 15 H5 C 15 30.716 -11.808 15.188 143 H6 C 15 H6 C 15 31.750 -12.560 13.058 144 1H5* A 16 1H5* A 16 29.071 -12.432 5.687 145 2H5* A 16 2H5* A 16 29.509 -11.138 6.781 146 H4* A 16 H4* A 16 27.057 -12.748 6.605 147 H3* A 16 H3* A 16 27.504 -9.927 7.655 148 H2* A 16 H2* A 16 25.345 -10.295 8.925 149 2HO* A 16 2HO* A 16 24.994 -12.218 6.805 150 H1* A 16 H1* A 16 25.561 -12.775 9.315 151 H8 A 16 H8 A 16 28.781 -11.176 10.567 152 1H6 A 16 1H6 A 16 27.205 -10.272 15.039 153 2H6 A 16 2H6 A 16 25.591 -10.113 15.750 154 H2 A 16 H2 A 16 22.669 -10.938 12.522 155 1H5* C 17 1H5* C 17 24.319 -9.770 6.225 156 2H5* C 17 2H5* C 17 23.569 -8.398 5.405 157 H4* C 17 H4* C 17 22.411 -8.884 7.495 158 H3* C 17 H3* C 17 24.033 -6.335 7.558 159 H2* C 17 H2* C 17 23.179 -5.910 9.720 160 2HO* C 17 2HO* C 17 21.391 -7.187 10.510 161 H1* C 17 H1* C 17 22.836 -8.530 10.357 162 1H4 C 17 1H4 C 17 28.142 -7.869 13.922 163 2H4 C 17 2H4 C 17 26.772 -7.445 14.887 164 H5 C 17 H5 C 17 27.966 -8.116 11.261 165 H6 C 17 H6 C 17 26.327 -8.290 9.518 166 1H5* U 18 1H5* U 18 20.915 -2.660 7.827 167 2H5* U 18 2H5* U 18 22.451 -2.008 8.351 168 H4* U 18 H4* U 18 20.330 -3.574 9.886 169 H3* U 18 H3* U 18 21.178 -0.914 10.172 170 H2* U 18 H2* U 18 22.845 -1.347 11.930 171 2HO* U 18 2HO* U 18 20.204 -1.470 12.782 172 H1* U 18 H1* U 18 21.400 -3.645 12.732 173 H3 U 18 H3 U 18 24.861 -3.922 15.661 174 H5 U 18 H5 U 18 26.172 -5.144 11.867 175 H6 U 18 H6 U 18 24.286 -4.136 10.940 176 1H5* U 19 1H5* U 19 17.498 -2.759 12.011 177 2H5* U 19 2H5* U 19 16.097 -1.766 11.596 178 H4* U 19 H4* U 19 15.693 -2.786 13.865 179 H3* U 19 H3* U 19 15.355 0.005 13.678 180 H2* U 19 H2* U 19 17.863 0.367 14.406 181 2HO* U 19 2HO* U 19 16.311 0.491 16.803 182 H1* U 19 H1* U 19 16.925 -1.502 16.539 183 H3 U 19 H3 U 19 20.579 -0.956 19.132 184 H5 U 19 H5 U 19 22.108 -0.532 15.210 185 H6 U 19 H6 U 19 19.918 -0.807 14.403 186 1H5* A 20 1H5* A 20 12.787 -1.752 12.328 187 2H5* A 20 2H5* A 20 11.405 -2.578 13.065 188 H4* A 20 H4* A 20 12.679 -3.823 11.129 189 H3* A 20 H3* A 20 12.250 -5.010 13.922 190 H2* A 20 H2* A 20 13.226 -7.009 13.238 191 2HO* A 20 2HO* A 20 12.728 -5.975 10.612 192 H1* A 20 H1* A 20 15.050 -5.851 11.459 193 H8 A 20 H8 A 20 14.090 -6.313 15.141 194 1H6 A 20 1H6 A 20 20.089 -6.727 16.346 195 2H6 A 20 2H6 A 20 18.477 -6.926 16.994 196 H2 A 20 H2 A 20 19.656 -5.567 12.060 197 1H5* A 21 1H5* A 21 10.076 -8.828 11.838 198 2H5* A 21 2H5* A 21 11.240 -7.733 12.615 199 H4* A 21 H4* A 21 12.156 -9.483 10.270 200 H3* A 21 H3* A 21 11.627 -10.561 13.033 201 H2* A 21 H2* A 21 13.782 -10.967 13.216 202 2HO* A 21 2HO* A 21 14.012 -12.273 10.693 203 H1* A 21 H1* A 21 14.298 -9.978 10.317 204 H8 A 21 H8 A 21 15.535 -9.924 14.041 205 1H6 A 21 1H6 A 21 20.838 -7.693 11.943 206 2H6 A 21 2H6 A 21 19.892 -8.045 13.370 207 H2 A 21 H2 A 21 18.338 -8.771 8.407 208 1H5* A 22 1H5* A 22 12.533 -15.090 8.878 209 2H5* A 22 2H5* A 22 14.018 -14.951 9.832 210 H4* A 22 H4* A 22 13.249 -13.139 7.460 211 H3* A 22 H3* A 22 15.216 -15.378 8.035 212 H2* A 22 H2* A 22 17.043 -14.258 7.468 213 2HO* A 22 2HO* A 22 15.431 -13.307 5.336 214 H1* A 22 H1* A 22 15.888 -11.628 7.102 215 H8 A 22 H8 A 22 16.256 -12.259 10.653 216 1H6 A 22 1H6 A 22 20.964 -11.211 11.310 217 2H6 A 22 2H6 A 22 22.248 -10.864 10.176 218 H2 A 22 H2 A 22 20.644 -11.170 6.196 219 1H5* A 23 1H5* A 23 16.716 -14.948 4.604 220 2H5* A 23 2H5* A 23 16.465 -16.395 3.606 221 H4* A 23 H4* A 23 18.746 -16.163 3.437 222 H3* A 23 H3* A 23 18.494 -17.672 6.118 223 H2* A 23 H2* A 23 21.084 -17.835 5.970 224 2HO* A 23 2HO* A 23 21.133 -18.148 3.790 225 H1* A 23 H1* A 23 21.251 -15.168 5.186 226 H8 A 23 H8 A 23 18.622 -15.687 8.027 227 1H6 A 23 1H6 A 23 21.525 -14.110 11.687 228 2H6 A 23 2H6 A 23 23.186 -13.592 11.675 229 H2 A 23 H2 A 23 24.747 -14.009 7.507 230 1H5* A 24 1H5* A 24 21.964 -21.508 3.733 231 2H5* A 24 2H5* A 24 20.898 -22.300 4.913 232 H4* A 24 H4* A 24 23.485 -22.218 5.557 233 H3* A 24 H3* A 24 21.296 -21.931 7.433 234 H2* A 24 H2* A 24 22.478 -20.551 8.674 235 2HO* A 24 2HO* A 24 24.415 -21.353 9.563 236 H1* A 24 H1* A 24 24.968 -20.658 7.009 237 H8 A 24 H8 A 24 22.430 -18.373 8.959 238 1H6 A 24 1H6 A 24 27.232 -14.773 9.789 239 2H6 A 24 2H6 A 24 25.628 -15.198 10.308 240 H2 A 24 H2 A 24 28.216 -17.541 6.406 241 1H5* C 25 1H5* C 25 20.062 -25.519 8.276 242 2H5* C 25 2H5* C 25 21.162 -24.218 8.741 243 H4* C 25 H4* C 25 20.984 -25.542 10.660 244 H3* C 25 H3* C 25 23.330 -26.633 9.081 245 H2* C 25 H2* C 25 23.615 -28.103 10.943 246 2HO* C 25 2HO* C 25 23.563 -26.833 12.672 247 H1* C 25 H1* C 25 20.938 -28.348 11.563 248 1H4 C 25 1H4 C 25 22.361 -33.244 7.361 249 2H4 C 25 2H4 C 25 22.170 -33.986 8.933 250 H5 C 25 H5 C 25 22.161 -30.853 6.997 251 H6 C 25 H6 C 25 22.136 -28.685 8.105 252 1H5* A 26 1H5* A 26 27.841 -25.445 10.714 253 2H5* A 26 2H5* A 26 27.433 -23.861 11.342 254 H4* A 26 H4* A 26 28.381 -24.606 8.567 255 H3* A 26 H3* A 26 29.499 -23.230 10.920 256 H2* A 26 H2* A 26 30.034 -21.230 9.962 257 2HO* A 26 2HO* A 26 31.420 -21.915 8.415 258 H1* A 26 H1* A 26 28.269 -21.005 7.867 259 H8 A 26 H8 A 26 26.091 -21.789 10.702 260 1H6 A 26 1H6 A 26 26.350 -17.687 13.349 261 2H6 A 26 2H6 A 26 27.357 -16.270 13.201 262 H2 A 26 H2 A 26 30.140 -16.957 9.769 263 1H5* C 27 1H5* C 27 33.074 -23.167 8.995 264 2H5* C 27 2H5* C 27 34.410 -24.097 9.697 265 H4* C 27 H4* C 27 35.093 -21.739 9.594 266 H3* C 27 H3* C 27 34.197 -22.057 12.419 267 H2* C 27 H2* C 27 35.100 -19.882 12.663 268 2HO* C 27 2HO* C 27 37.046 -20.171 11.674 269 H1* C 27 H1* C 27 34.389 -19.138 9.989 270 1H4 C 27 1H4 C 27 30.768 -15.244 13.289 271 2H4 C 27 2H4 C 27 29.620 -16.514 13.650 272 H5 C 27 H5 C 27 30.127 -18.747 13.398 273 H6 C 27 H6 C 27 31.400 -20.398 11.960 274 1H5* C 28 1H5* C 28 38.756 -21.974 15.176 275 2H5* C 28 2H5* C 28 37.215 -21.276 15.681 276 H4* C 28 H4* C 28 39.719 -19.823 14.757 277 H3* C 28 H3* C 28 38.400 -20.394 17.320 278 H2* C 28 H2* C 28 37.851 -18.309 18.026 279 2HO* C 28 2HO* C 28 39.141 -16.549 17.681 280 H1* C 28 H1* C 28 37.619 -16.780 15.743 281 1H4 C 28 1H4 C 28 32.033 -20.058 17.334 282 2H4 C 28 2H4 C 28 32.009 -18.645 18.373 283 H5 C 28 H5 C 28 33.716 -20.599 15.907 284 H6 C 28 H6 C 28 35.811 -19.864 14.744 285 1H5* G 29 1H5* G 29 40.414 -18.699 19.090 286 2H5* G 29 2H5* G 29 41.333 -19.212 20.518 287 H4* G 29 H4* G 29 39.337 -17.901 21.105 288 H3* G 29 H3* G 29 38.810 -20.817 21.746 289 H2* G 29 H2* G 29 36.885 -20.037 22.858 290 2HO* G 29 2HO* G 29 38.435 -17.791 23.180 291 H1* G 29 H1* G 29 36.517 -17.876 21.014 292 H8 G 29 H8 G 29 36.338 -20.782 18.623 293 H1 G 29 H1 G 29 30.760 -19.475 21.583 294 1H2 G 29 1H2 G 29 32.974 -17.788 23.975 295 2H2 G 29 2H2 G 29 31.328 -18.195 23.548 296 1H5* G 30 1H5* G 30 38.824 -18.971 25.030 297 2H5* G 30 2H5* G 30 38.986 -19.685 26.644 298 H4* G 30 H4* G 30 36.700 -18.873 25.945 299 H3* G 30 H3* G 30 37.105 -21.755 26.760 300 H2* G 30 H2* G 30 34.919 -22.254 26.203 301 2HO* G 30 2HO* G 30 33.251 -20.645 26.474 302 H1* G 30 H1* G 30 34.529 -19.683 24.851 303 H8 G 30 H8 G 30 35.830 -21.755 21.976 304 H1 G 30 H1 G 30 29.552 -22.463 23.041 305 1H2 G 30 1H2 G 30 30.195 -21.225 26.256 306 2H2 G 30 2H2 G 30 29.015 -21.818 25.105 Start of MODEL 17 1 1H5* A 3 1H5* A 3 24.712 -5.571 26.907 2 2H5* A 3 2H5* A 3 23.280 -5.046 27.774 3 H4* A 3 H4* A 3 22.792 -3.743 26.072 4 H3* A 3 H3* A 3 22.175 -6.312 24.417 5 H2* A 3 H2* A 3 21.743 -5.012 22.566 6 2HO* A 3 2HO* A 3 21.074 -2.965 22.617 7 H1* A 3 H1* A 3 23.987 -3.195 23.027 8 H8 A 3 H8 A 3 25.700 -6.025 23.212 9 1H6 A 3 1H6 A 3 26.966 -6.387 18.703 10 2H6 A 3 2H6 A 3 26.300 -5.805 17.170 11 H2 A 3 H2 A 3 22.556 -3.533 18.276 12 1H5* G 4 1H5* G 4 19.194 -5.221 23.683 13 2H5* G 4 2H5* G 4 17.661 -6.102 23.807 14 H4* G 4 H4* G 4 18.121 -5.631 21.526 15 H3* G 4 H3* G 4 19.388 -8.542 21.600 16 H2* G 4 H2* G 4 19.568 -8.323 19.221 17 2HO* G 4 2HO* G 4 18.688 -6.507 18.153 18 H1* G 4 H1* G 4 20.395 -5.701 19.364 19 H8 G 4 H8 G 4 22.615 -7.282 21.850 20 H1 G 4 H1 G 4 24.190 -7.808 15.623 21 1H2 G 4 1H2 G 4 20.684 -7.034 15.371 22 2H2 G 4 2H2 G 4 22.160 -7.399 14.520 23 1H5* U 5 1H5* U 5 15.880 -8.654 19.448 24 2H5* U 5 2H5* U 5 14.673 -9.938 19.391 25 H4* U 5 H4* U 5 15.493 -9.379 17.139 26 H3* U 5 H3* U 5 16.802 -12.075 17.867 27 H2* U 5 H2* U 5 17.338 -11.987 15.488 28 2HO* U 5 2HO* U 5 15.273 -10.287 15.486 29 H1* U 5 H1* U 5 18.127 -9.517 15.638 30 H3 U 5 H3 U 5 22.226 -10.953 15.169 31 H5 U 5 H5 U 5 21.544 -10.641 19.317 32 H6 U 5 H6 U 5 19.152 -10.454 18.843 33 1H5* G 6 1H5* G 6 16.307 -13.988 13.243 34 2H5* G 6 2H5* G 6 15.507 -15.230 14.301 35 H4* G 6 H4* G 6 17.610 -15.944 13.686 36 H3* G 6 H3* G 6 16.765 -15.370 16.455 37 H2* G 6 H2* G 6 18.445 -13.715 16.261 38 2HO* G 6 2HO* G 6 18.606 -14.058 18.116 39 H1* G 6 H1* G 6 19.995 -15.696 14.671 40 H8 G 6 H8 G 6 20.549 -13.659 17.710 41 H1 G 6 H1 G 6 25.970 -13.816 14.415 42 1H2 G 6 1H2 G 6 24.169 -14.741 11.571 43 2H2 G 6 2H2 G 6 25.722 -14.349 12.289 44 1H5* G 7 1H5* G 7 20.204 -19.385 16.221 45 2H5* G 7 2H5* G 7 19.667 -17.681 16.043 46 H4* G 7 H4* G 7 20.632 -18.271 13.546 47 H3* G 7 H3* G 7 21.998 -20.209 15.247 48 H2* G 7 H2* G 7 23.774 -18.921 15.999 49 2HO* G 7 2HO* G 7 24.081 -18.856 13.215 50 H1* G 7 H1* G 7 23.484 -16.640 14.555 51 H8 G 7 H8 G 7 21.514 -16.148 17.702 52 H1 G 7 H1 G 7 27.945 -15.259 17.882 53 1H2 G 7 1H2 G 7 27.677 -17.249 14.882 54 2H2 G 7 2H2 G 7 28.716 -16.387 15.992 55 1H5* CH 8 1H5* CH 8 22.405 -22.359 14.806 56 2H5* CH 8 2H5* CH 8 22.985 -23.917 14.149 57 H4* CH 8 H4* CH 8 25.222 -22.505 13.507 58 H3* CH 8 H3* CH 8 24.865 -23.632 16.487 59 H2* CH 8 H2* CH 8 27.132 -22.870 16.677 60 2HO* CH 8 2HO* CH 8 27.157 -23.128 13.779 61 H1* CH 8 H1* CH 8 26.959 -21.065 14.780 62 HN3 CH 8 HN3 CH 8 29.481 -19.102 17.821 63 1H4 CH 8 1H4 CH 8 29.265 -17.928 19.283 64 2H4 CH 8 2H4 CH 8 27.897 -17.432 20.234 65 H5 CH 8 H5 CH 8 25.589 -18.859 19.509 66 H6 CH 8 H6 CH 8 24.772 -20.308 17.629 67 1H5* G 9 1H5* G 9 22.122 -25.823 17.481 68 2H5* G 9 2H5* G 9 22.219 -24.882 15.975 69 H4* G 9 H4* G 9 22.970 -22.928 17.360 70 H3* G 9 H3* G 9 23.492 -24.883 19.314 71 H2* G 9 H2* G 9 21.426 -25.052 20.317 72 2HO* G 9 2HO* G 9 22.564 -23.710 21.812 73 H1* G 9 H1* G 9 20.362 -22.448 19.596 74 H8 G 9 H8 G 9 18.417 -24.040 17.454 75 H1 G 9 H1 G 9 17.325 -27.082 22.949 76 1H2 G 9 1H2 G 9 20.352 -25.684 23.971 77 2H2 G 9 2H2 G 9 18.983 -26.697 24.372 78 1H5* C 10 1H5* C 10 21.856 -22.409 22.792 79 2H5* C 10 2H5* C 10 22.072 -20.593 22.842 80 H4* C 10 H4* C 10 22.682 -21.800 25.056 81 H3* C 10 H3* C 10 24.885 -20.126 23.670 82 H2* C 10 H2* C 10 26.392 -20.645 25.189 83 2HO* C 10 2HO* C 10 24.176 -21.736 26.622 84 H1* C 10 H1* C 10 25.985 -23.249 25.058 85 1H4 C 10 1H4 C 10 28.901 -23.248 19.345 86 2H4 C 10 2H4 C 10 30.200 -22.987 20.507 87 H5 C 10 H5 C 10 26.564 -23.067 19.914 88 H6 C 10 H6 C 10 24.976 -22.862 21.643 89 1H5* C 11 1H5* C 11 24.036 -15.833 27.073 90 2H5* C 11 2H5* C 11 23.916 -16.784 25.566 91 H4* C 11 H4* C 11 26.260 -17.011 27.551 92 H3* C 11 H3* C 11 26.425 -15.066 25.151 93 H2* C 11 H2* C 11 28.686 -15.529 25.171 94 2HO* C 11 2HO* C 11 29.741 -16.395 26.952 95 H1* C 11 H1* C 11 28.417 -18.178 26.086 96 1H4 C 11 1H4 C 11 28.894 -20.117 20.157 97 2H4 C 11 2H4 C 11 30.485 -19.908 20.711 98 H5 C 11 H5 C 11 26.888 -19.258 21.333 99 H6 C 11 H6 C 11 26.259 -18.004 23.218 100 1H5* G 12 1H5* G 12 29.135 -13.280 27.237 101 2H5* G 12 2H5* G 12 29.207 -11.512 26.951 102 H4* G 12 H4* G 12 31.244 -12.727 26.110 103 H3* G 12 H3* G 12 29.569 -11.835 23.690 104 H2* G 12 H2* G 12 31.461 -12.356 22.518 105 2HO* G 12 2HO* G 12 32.712 -12.189 24.975 106 H1* G 12 H1* G 12 32.086 -14.479 23.795 107 H8 G 12 H8 G 12 28.517 -15.129 23.014 108 H1 G 12 H1 G 12 32.997 -17.204 18.898 109 1H2 G 12 1H2 G 12 35.122 -15.140 20.754 110 2H2 G 12 2H2 G 12 34.959 -16.302 19.447 111 1H5* A 13 1H5* A 13 32.556 -8.499 21.879 112 2H5* A 13 2H5* A 13 31.240 -9.393 21.118 113 H4* A 13 H4* A 13 32.554 -10.140 19.376 114 H3* A 13 H3* A 13 34.470 -10.830 21.416 115 H2* A 13 H2* A 13 35.760 -8.948 21.286 116 2HO* A 13 2HO* A 13 37.282 -9.123 19.425 117 H1* A 13 H1* A 13 35.093 -8.380 18.405 118 H8 A 13 H8 A 13 33.825 -5.921 20.657 119 1H6 A 13 1H6 A 13 39.302 -3.145 21.006 120 2H6 A 13 2H6 A 13 37.600 -3.010 21.386 121 H2 A 13 H2 A 13 39.864 -7.096 18.939 122 1H5* C 14 1H5* C 14 35.447 -13.643 18.804 123 2H5* C 14 2H5* C 14 36.940 -14.001 18.042 124 H4* C 14 H4* C 14 36.072 -15.418 16.597 125 H3* C 14 H3* C 14 34.286 -13.105 15.847 126 H2* C 14 H2* C 14 32.525 -14.627 15.114 127 2HO* C 14 2HO* C 14 33.004 -16.719 14.571 128 H1* C 14 H1* C 14 32.925 -16.582 16.794 129 1H4 C 14 1H4 C 14 29.164 -13.162 20.788 130 2H4 C 14 2H4 C 14 28.057 -14.021 19.745 131 H5 C 14 H5 C 14 31.555 -13.070 20.287 132 H6 C 14 H6 C 14 33.252 -13.724 18.738 133 1H5* C 15 1H5* C 15 34.749 -13.332 10.809 134 2H5* C 15 2H5* C 15 33.956 -11.767 10.866 135 H4* C 15 H4* C 15 32.922 -14.187 9.863 136 H3* C 15 H3* C 15 31.396 -11.687 10.656 137 H2* C 15 H2* C 15 29.529 -12.741 9.856 138 2HO* C 15 2HO* C 15 29.663 -14.391 8.648 139 H1* C 15 H1* C 15 29.951 -15.217 11.082 140 1H4 C 15 1H4 C 15 28.733 -12.723 16.863 141 2H4 C 15 2H4 C 15 27.139 -13.153 16.361 142 H5 C 15 H5 C 15 30.493 -12.687 15.732 143 H6 C 15 H6 C 15 31.577 -13.021 13.600 144 1H5* A 16 1H5* A 16 29.308 -12.443 7.097 145 2H5* A 16 2H5* A 16 28.993 -10.878 6.510 146 H4* A 16 H4* A 16 26.958 -12.247 6.738 147 H3* A 16 H3* A 16 27.078 -9.714 8.372 148 H2* A 16 H2* A 16 24.809 -10.354 9.271 149 2HO* A 16 2HO* A 16 24.750 -11.920 6.844 150 H1* A 16 H1* A 16 25.035 -12.906 9.185 151 H8 A 16 H8 A 16 28.024 -11.682 11.057 152 1H6 A 16 1H6 A 16 26.219 -11.345 15.377 153 2H6 A 16 2H6 A 16 24.589 -11.140 16.037 154 H2 A 16 H2 A 16 21.790 -11.254 12.564 155 1H5* C 17 1H5* C 17 24.386 -9.375 6.653 156 2H5* C 17 2H5* C 17 23.513 -7.946 6.078 157 H4* C 17 H4* C 17 22.526 -8.829 8.130 158 H3* C 17 H3* C 17 23.925 -6.175 8.349 159 H2* C 17 H2* C 17 23.381 -6.082 10.635 160 2HO* C 17 2HO* C 17 21.596 -7.371 11.439 161 H1* C 17 H1* C 17 22.900 -8.755 10.842 162 1H4 C 17 1H4 C 17 27.764 -8.644 14.987 163 2H4 C 17 2H4 C 17 26.321 -8.285 15.857 164 H5 C 17 H5 C 17 27.853 -8.572 12.302 165 H6 C 17 H6 C 17 26.390 -8.495 10.427 166 1H5* U 18 1H5* U 18 21.401 -1.958 8.355 167 2H5* U 18 2H5* U 18 22.884 -2.864 8.436 168 H4* U 18 H4* U 18 20.668 -2.587 10.497 169 H3* U 18 H3* U 18 23.494 -1.916 10.942 170 H2* U 18 H2* U 18 22.813 -1.263 12.931 171 2HO* U 18 2HO* U 18 20.261 -1.465 11.833 172 H1* U 18 H1* U 18 21.325 -3.534 13.235 173 H3 U 18 H3 U 18 24.364 -4.500 16.359 174 H5 U 18 H5 U 18 26.130 -5.174 12.608 175 H6 U 18 H6 U 18 24.413 -3.975 11.688 176 1H5* U 19 1H5* U 19 17.884 -1.428 10.458 177 2H5* U 19 2H5* U 19 17.642 0.265 10.592 178 H4* U 19 H4* U 19 16.626 -1.531 12.506 179 H3* U 19 H3* U 19 16.562 1.222 12.794 180 H2* U 19 H2* U 19 19.030 1.222 13.905 181 2HO* U 19 2HO* U 19 16.715 1.304 15.586 182 H1* U 19 H1* U 19 17.682 -0.991 15.414 183 H3 U 19 H3 U 19 20.997 -1.481 18.406 184 H5 U 19 H5 U 19 23.004 -0.266 14.886 185 H6 U 19 H6 U 19 20.931 -0.156 13.803 186 1H5* A 20 1H5* A 20 13.533 -0.786 10.828 187 2H5* A 20 2H5* A 20 12.643 -1.897 11.889 188 H4* A 20 H4* A 20 13.959 -2.570 9.461 189 H3* A 20 H3* A 20 12.963 -4.243 11.823 190 H2* A 20 H2* A 20 13.893 -6.136 11.064 191 2HO* A 20 2HO* A 20 14.276 -6.530 8.960 192 H1* A 20 H1* A 20 16.144 -4.979 9.906 193 H8 A 20 H8 A 20 14.376 -5.830 13.204 194 1H6 A 20 1H6 A 20 18.249 -6.104 16.077 195 2H6 A 20 2H6 A 20 19.952 -5.816 15.811 196 H2 A 20 H2 A 20 20.354 -4.596 11.464 197 1H5* A 21 1H5* A 21 10.886 -8.065 10.641 198 2H5* A 21 2H5* A 21 12.180 -7.392 11.643 199 H4* A 21 H4* A 21 12.611 -9.488 9.406 200 H3* A 21 H3* A 21 11.925 -9.786 12.297 201 H2* A 21 H2* A 21 13.988 -10.546 13.012 202 2HO* A 21 2HO* A 21 14.357 -12.052 10.688 203 H1* A 21 H1* A 21 15.448 -10.576 10.634 204 H8 A 21 H8 A 21 14.752 -8.568 13.838 205 1H6 A 21 1H6 A 21 19.450 -7.508 14.711 206 2H6 A 21 2H6 A 21 20.887 -7.698 13.732 207 H2 A 21 H2 A 21 19.687 -9.743 9.979 208 1H5* A 22 1H5* A 22 12.894 -14.786 8.614 209 2H5* A 22 2H5* A 22 14.369 -14.811 9.565 210 H4* A 22 H4* A 22 13.753 -12.831 7.290 211 H3* A 22 H3* A 22 15.492 -15.286 7.682 212 H2* A 22 H2* A 22 17.374 -14.313 6.973 213 2HO* A 22 2HO* A 22 17.319 -12.793 5.190 214 H1* A 22 H1* A 22 16.484 -11.571 6.906 215 H8 A 22 H8 A 22 17.298 -12.959 10.306 216 1H6 A 22 1H6 A 22 23.087 -11.225 9.152 217 2H6 A 22 2H6 A 22 22.033 -11.916 10.363 218 H2 A 22 H2 A 22 20.783 -10.562 5.580 219 1H5* A 23 1H5* A 23 16.747 -14.904 4.483 220 2H5* A 23 2H5* A 23 16.504 -16.236 3.336 221 H4* A 23 H4* A 23 18.788 -16.083 3.275 222 H3* A 23 H3* A 23 18.406 -17.773 5.822 223 H2* A 23 H2* A 23 20.982 -18.050 5.704 224 2HO* A 23 2HO* A 23 20.411 -17.610 3.188 225 H1* A 23 H1* A 23 21.257 -15.325 5.159 226 H8 A 23 H8 A 23 18.542 -15.942 7.884 227 1H6 A 23 1H6 A 23 21.389 -14.658 11.682 228 2H6 A 23 2H6 A 23 23.005 -14.075 11.724 229 H2 A 23 H2 A 23 24.719 -14.440 7.570 230 1H5* A 24 1H5* A 24 22.040 -21.303 3.669 231 2H5* A 24 2H5* A 24 21.058 -22.195 4.842 232 H4* A 24 H4* A 24 23.551 -21.943 5.482 233 H3* A 24 H3* A 24 21.363 -21.666 7.355 234 H2* A 24 H2* A 24 22.535 -20.275 8.634 235 2HO* A 24 2HO* A 24 24.413 -21.053 9.550 236 H1* A 24 H1* A 24 25.014 -20.384 6.940 237 H8 A 24 H8 A 24 22.483 -18.086 8.840 238 1H6 A 24 1H6 A 24 27.448 -14.603 9.788 239 2H6 A 24 2H6 A 24 25.818 -14.945 10.320 240 H2 A 24 H2 A 24 28.336 -17.367 6.423 241 1H5* C 25 1H5* C 25 20.609 -24.325 8.933 242 2H5* C 25 2H5* C 25 22.278 -23.814 9.135 243 H4* C 25 H4* C 25 21.344 -25.157 10.996 244 H3* C 25 H3* C 25 23.561 -26.417 9.370 245 H2* C 25 H2* C 25 23.500 -28.117 11.000 246 2HO* C 25 2HO* C 25 23.523 -26.611 12.753 247 H1* C 25 H1* C 25 20.790 -28.054 11.478 248 1H4 C 25 1H4 C 25 21.705 -33.362 8.078 249 2H4 C 25 2H4 C 25 22.056 -32.413 6.650 250 H5 C 25 H5 C 25 22.026 -29.989 6.637 251 H6 C 25 H6 C 25 22.045 -28.007 8.060 252 1H5* A 26 1H5* A 26 28.066 -25.309 10.602 253 2H5* A 26 2H5* A 26 27.377 -23.813 11.138 254 H4* A 26 H4* A 26 28.367 -24.467 8.349 255 H3* A 26 H3* A 26 29.541 -23.161 10.721 256 H2* A 26 H2* A 26 30.066 -21.151 9.767 257 2HO* A 26 2HO* A 26 31.372 -21.813 8.147 258 H1* A 26 H1* A 26 28.242 -20.906 7.742 259 H8 A 26 H8 A 26 26.183 -21.654 10.708 260 1H6 A 26 1H6 A 26 27.526 -16.064 13.015 261 2H6 A 26 2H6 A 26 26.533 -17.483 13.238 262 H2 A 26 H2 A 26 30.116 -16.775 9.422 263 1H5* C 27 1H5* C 27 32.874 -22.793 8.764 264 2H5* C 27 2H5* C 27 34.314 -23.708 9.242 265 H4* C 27 H4* C 27 34.842 -21.301 9.312 266 H3* C 27 H3* C 27 34.397 -22.009 12.180 267 H2* C 27 H2* C 27 34.951 -19.793 12.618 268 2HO* C 27 2HO* C 27 36.919 -19.766 11.593 269 H1* C 27 H1* C 27 34.142 -18.856 9.991 270 1H4 C 27 1H4 C 27 29.443 -16.569 13.864 271 2H4 C 27 2H4 C 27 30.619 -15.300 13.727 272 H5 C 27 H5 C 27 29.920 -18.717 13.381 273 H6 C 27 H6 C 27 31.222 -20.218 11.828 274 1H5* C 28 1H5* C 28 38.715 -22.305 14.745 275 2H5* C 28 2H5* C 28 37.088 -21.782 15.211 276 H4* C 28 H4* C 28 39.570 -20.063 14.829 277 H3* C 28 H3* C 28 38.011 -21.130 17.101 278 H2* C 28 H2* C 28 37.489 -19.178 18.154 279 2HO* C 28 2HO* C 28 39.390 -18.274 18.555 280 H1* C 28 H1* C 28 37.402 -17.315 16.110 281 1H4 C 28 1H4 C 28 31.638 -20.466 17.196 282 2H4 C 28 2H4 C 28 31.679 -19.157 18.354 283 H5 C 28 H5 C 28 33.348 -20.981 15.721 284 H6 C 28 H6 C 28 35.528 -20.223 14.696 285 1H5* G 29 1H5* G 29 40.960 -19.734 19.379 286 2H5* G 29 2H5* G 29 41.852 -20.809 20.469 287 H4* G 29 H4* G 29 40.609 -18.989 21.640 288 H3* G 29 H3* G 29 39.301 -21.682 22.167 289 H2* G 29 H2* G 29 37.812 -20.575 23.614 290 2HO* G 29 2HO* G 29 38.167 -18.428 24.274 291 H1* G 29 H1* G 29 37.518 -18.286 21.980 292 H8 G 29 H8 G 29 37.166 -20.998 19.398 293 H1 G 29 H1 G 29 31.644 -19.180 22.151 294 1H2 G 29 1H2 G 29 33.875 -17.885 24.754 295 2H2 G 29 2H2 G 29 32.224 -18.075 24.205 296 1H5* G 30 1H5* G 30 40.029 -20.542 25.612 297 2H5* G 30 2H5* G 30 40.123 -21.631 27.006 298 H4* G 30 H4* G 30 37.926 -20.384 26.563 299 H3* G 30 H3* G 30 37.948 -23.414 26.719 300 H2* G 30 H2* G 30 35.673 -23.437 26.298 301 2HO* G 30 2HO* G 30 34.340 -21.639 26.908 302 H1* G 30 H1* G 30 35.676 -20.703 25.264 303 H8 G 30 H8 G 30 36.904 -22.516 22.191 304 H1 G 30 H1 G 30 30.547 -22.486 22.895 305 1H2 G 30 1H2 G 30 31.156 -21.780 26.270 306 2H2 G 30 2H2 G 30 29.982 -22.042 24.999 Start of MODEL 18 1 1H5* A 3 1H5* A 3 25.569 -3.336 25.832 2 2H5* A 3 2H5* A 3 24.104 -2.775 26.611 3 H4* A 3 H4* A 3 23.687 -1.679 24.749 4 H3* A 3 H3* A 3 22.938 -4.424 23.527 5 H2* A 3 H2* A 3 22.357 -3.294 21.559 6 2HO* A 3 2HO* A 3 22.047 -1.136 23.244 7 H1* A 3 H1* A 3 24.749 -1.644 21.630 8 H8 A 3 H8 A 3 26.196 -4.601 22.234 9 1H6 A 3 1H6 A 3 27.262 -5.733 17.679 10 2H6 A 3 2H6 A 3 26.562 -5.254 16.122 11 H2 A 3 H2 A 3 23.163 -2.465 17.101 12 1H5* G 4 1H5* G 4 20.051 -3.257 22.837 13 2H5* G 4 2H5* G 4 18.417 -3.870 23.132 14 H4* G 4 H4* G 4 18.706 -3.788 20.809 15 H3* G 4 H3* G 4 19.860 -6.721 21.144 16 H2* G 4 H2* G 4 19.865 -6.756 18.716 17 2HO* G 4 2HO* G 4 18.977 -5.050 17.546 18 H1* G 4 H1* G 4 20.868 -4.265 18.551 19 H8 G 4 H8 G 4 22.996 -5.714 21.135 20 H1 G 4 H1 G 4 24.189 -7.233 14.988 21 1H2 G 4 1H2 G 4 20.752 -6.130 14.811 22 2H2 G 4 2H2 G 4 22.128 -6.747 13.939 23 1H5* U 5 1H5* U 5 15.670 -8.261 19.509 24 2H5* U 5 2H5* U 5 15.639 -9.929 19.958 25 H4* U 5 H4* U 5 15.591 -9.194 17.395 26 H3* U 5 H3* U 5 17.774 -11.311 18.018 27 H2* U 5 H2* U 5 18.053 -11.403 15.702 28 2HO* U 5 2HO* U 5 16.759 -10.330 14.261 29 H1* U 5 H1* U 5 18.281 -8.827 15.374 30 H3 U 5 H3 U 5 22.457 -10.137 15.129 31 H5 U 5 H5 U 5 21.856 -8.835 19.083 32 H6 U 5 H6 U 5 19.418 -8.910 18.661 33 1H5* G 6 1H5* G 6 15.737 -12.897 15.511 34 2H5* G 6 2H5* G 6 15.142 -14.572 15.432 35 H4* G 6 H4* G 6 16.687 -14.110 13.650 36 H3* G 6 H3* G 6 17.770 -15.887 15.814 37 H2* G 6 H2* G 6 19.720 -16.215 14.496 38 2HO* G 6 2HO* G 6 17.948 -15.631 12.463 39 H1* G 6 H1* G 6 19.768 -13.700 13.440 40 H8 G 6 H8 G 6 19.590 -13.145 17.180 41 H1 G 6 H1 G 6 25.472 -13.471 14.660 42 1H2 G 6 1H2 G 6 23.820 -15.031 11.940 43 2H2 G 6 2H2 G 6 25.332 -14.458 12.612 44 1H5* G 7 1H5* G 7 19.286 -20.226 14.649 45 2H5* G 7 2H5* G 7 19.042 -19.010 15.932 46 H4* G 7 H4* G 7 20.930 -18.468 13.636 47 H3* G 7 H3* G 7 21.266 -20.556 15.729 48 H2* G 7 H2* G 7 23.064 -19.654 16.625 49 2HO* G 7 2HO* G 7 23.844 -19.747 13.990 50 H1* G 7 H1* G 7 23.133 -17.331 14.985 51 H8 G 7 H8 G 7 21.208 -16.442 18.006 52 H1 G 7 H1 G 7 27.488 -14.970 18.096 53 1H2 G 7 1H2 G 7 27.579 -17.429 15.495 54 2H2 G 7 2H2 G 7 28.459 -16.284 16.483 55 1H5* CH 8 1H5* CH 8 24.352 -24.366 14.319 56 2H5* CH 8 2H5* CH 8 23.889 -23.388 15.759 57 H4* CH 8 H4* CH 8 26.536 -23.128 14.136 58 H3* CH 8 H3* CH 8 25.921 -23.500 17.262 59 H2* CH 8 H2* CH 8 28.211 -22.706 17.435 60 2HO* CH 8 2HO* CH 8 29.448 -22.292 15.388 61 H1* CH 8 H1* CH 8 28.075 -21.168 15.374 62 HN3 CH 8 HN3 CH 8 29.639 -18.527 18.525 63 1H4 CH 8 1H4 CH 8 27.011 -17.105 20.321 64 2H4 CH 8 2H4 CH 8 28.704 -16.932 20.115 65 H5 CH 8 H5 CH 8 25.551 -18.777 19.475 66 H6 CH 8 H6 CH 8 25.321 -20.535 17.716 67 1H5* G 9 1H5* G 9 23.113 -26.512 17.516 68 2H5* G 9 2H5* G 9 23.082 -25.514 16.045 69 H4* G 9 H4* G 9 22.051 -23.711 17.248 70 H3* G 9 H3* G 9 23.662 -24.331 19.366 71 H2* G 9 H2* G 9 22.557 -26.302 19.727 72 2HO* G 9 2HO* G 9 21.189 -25.862 21.725 73 H1* G 9 H1* G 9 19.952 -24.766 19.524 74 H8 G 9 H8 G 9 19.975 -27.769 17.556 75 H1 G 9 H1 G 9 18.152 -29.264 23.479 76 1H2 G 9 1H2 G 9 18.616 -27.591 24.864 77 2H2 G 9 2H2 G 9 19.368 -26.106 24.321 78 1H5* C 10 1H5* C 10 23.741 -22.950 21.079 79 2H5* C 10 2H5* C 10 23.202 -24.462 21.906 80 H4* C 10 H4* C 10 23.844 -23.261 24.099 81 H3* C 10 H3* C 10 25.776 -21.721 22.275 82 H2* C 10 H2* C 10 27.210 -21.684 23.992 83 2HO* C 10 2HO* C 10 26.707 -22.293 26.014 84 H1* C 10 H1* C 10 27.022 -24.352 24.346 85 1H4 C 10 1H4 C 10 30.618 -25.075 19.078 86 2H4 C 10 2H4 C 10 31.752 -24.400 20.246 87 H5 C 10 H5 C 10 28.198 -25.050 19.406 88 H6 C 10 H6 C 10 26.491 -24.804 20.937 89 1H5* C 11 1H5* C 11 24.398 -19.100 25.221 90 2H5* C 11 2H5* C 11 24.349 -17.330 25.307 91 H4* C 11 H4* C 11 26.592 -18.370 25.977 92 H3* C 11 H3* C 11 26.471 -16.381 23.696 93 H2* C 11 H2* C 11 28.769 -16.647 23.346 94 2HO* C 11 2HO* C 11 30.141 -17.385 25.080 95 H1* C 11 H1* C 11 28.877 -19.235 24.623 96 1H4 C 11 1H4 C 11 30.071 -21.654 18.981 97 2H4 C 11 2H4 C 11 31.573 -21.165 19.610 98 H5 C 11 H5 C 11 27.871 -20.936 19.921 99 H6 C 11 H6 C 11 26.964 -19.572 21.592 100 1H5* G 12 1H5* G 12 26.244 -11.521 25.357 101 2H5* G 12 2H5* G 12 26.512 -12.855 24.159 102 H4* G 12 H4* G 12 28.633 -11.597 26.100 103 H3* G 12 H3* G 12 28.330 -10.415 23.267 104 H2* G 12 H2* G 12 30.287 -11.086 22.514 105 2HO* G 12 2HO* G 12 31.036 -10.470 25.079 106 H1* G 12 H1* G 12 31.123 -13.059 23.992 107 H8 G 12 H8 G 12 27.780 -14.165 22.920 108 H1 G 12 H1 G 12 32.596 -16.392 19.591 109 1H2 G 12 1H2 G 12 34.608 -13.975 21.192 110 2H2 G 12 2H2 G 12 34.550 -15.322 20.059 111 1H5* A 13 1H5* A 13 32.190 -7.273 22.487 112 2H5* A 13 2H5* A 13 31.329 -8.255 21.296 113 H4* A 13 H4* A 13 33.668 -8.442 20.731 114 H3* A 13 H3* A 13 32.393 -10.834 21.927 115 H2* A 13 H2* A 13 34.069 -11.279 23.318 116 2HO* A 13 2HO* A 13 36.096 -11.946 21.856 117 H1* A 13 H1* A 13 35.786 -9.547 21.502 118 H8 A 13 H8 A 13 35.552 -8.789 25.172 119 1H6 A 13 1H6 A 13 41.027 -11.464 25.993 120 2H6 A 13 2H6 A 13 39.797 -10.452 26.717 121 H2 A 13 H2 A 13 39.632 -12.409 21.821 122 1H5* C 14 1H5* C 14 35.224 -13.051 19.381 123 2H5* C 14 2H5* C 14 36.452 -12.724 18.159 124 H4* C 14 H4* C 14 35.634 -14.681 17.297 125 H3* C 14 H3* C 14 33.763 -12.551 16.280 126 H2* C 14 H2* C 14 32.172 -14.236 15.516 127 2HO* C 14 2HO* C 14 32.790 -16.359 15.304 128 H1* C 14 H1* C 14 32.477 -15.966 17.443 129 1H4 C 14 1H4 C 14 28.346 -12.335 20.704 130 2H4 C 14 2H4 C 14 27.408 -13.464 19.767 131 H5 C 14 H5 C 14 30.784 -12.018 20.314 132 H6 C 14 H6 C 14 32.664 -12.782 18.937 133 1H5* C 15 1H5* C 15 34.379 -13.751 11.431 134 2H5* C 15 2H5* C 15 33.598 -12.220 11.046 135 H4* C 15 H4* C 15 32.614 -14.774 10.573 136 H3* C 15 H3* C 15 31.036 -12.214 10.775 137 H2* C 15 H2* C 15 29.189 -13.442 10.165 138 2HO* C 15 2HO* C 15 29.421 -15.258 9.182 139 H1* C 15 H1* C 15 29.598 -15.582 11.900 140 1H4 C 15 1H4 C 15 28.021 -11.822 16.963 141 2H4 C 15 2H4 C 15 26.465 -12.397 16.434 142 H5 C 15 H5 C 15 29.944 -12.082 15.925 143 H6 C 15 H6 C 15 31.119 -12.865 13.941 144 1H5* A 16 1H5* A 16 29.210 -13.446 7.312 145 2H5* A 16 2H5* A 16 28.853 -12.027 6.467 146 H4* A 16 H4* A 16 26.826 -13.333 7.030 147 H3* A 16 H3* A 16 27.012 -10.547 8.194 148 H2* A 16 H2* A 16 24.761 -11.051 9.260 149 2HO* A 16 2HO* A 16 23.520 -12.699 8.510 150 H1* A 16 H1* A 16 25.186 -13.471 9.786 151 H8 A 16 H8 A 16 28.251 -11.701 11.129 152 1H6 A 16 1H6 A 16 26.470 -10.283 15.301 153 2H6 A 16 2H6 A 16 24.838 -10.007 15.931 154 H2 A 16 H2 A 16 22.025 -11.150 12.627 155 1H5* C 17 1H5* C 17 24.004 -10.159 6.451 156 2H5* C 17 2H5* C 17 23.509 -8.714 5.555 157 H4* C 17 H4* C 17 22.149 -8.974 7.566 158 H3* C 17 H3* C 17 24.148 -6.715 7.714 159 H2* C 17 H2* C 17 23.155 -6.065 9.760 160 2HO* C 17 2HO* C 17 20.961 -7.342 8.630 161 H1* C 17 H1* C 17 22.443 -8.618 10.475 162 1H4 C 17 1H4 C 17 27.606 -8.495 14.266 163 2H4 C 17 2H4 C 17 26.266 -7.881 15.161 164 H5 C 17 H5 C 17 27.515 -8.783 11.605 165 H6 C 17 H6 C 17 25.977 -8.782 9.822 166 1H5* U 18 1H5* U 18 20.555 -2.231 7.654 167 2H5* U 18 2H5* U 18 22.310 -2.369 7.696 168 H4* U 18 H4* U 18 20.350 -3.201 9.873 169 H3* U 18 H3* U 18 21.540 -0.632 9.447 170 H2* U 18 H2* U 18 23.248 -0.978 11.296 171 2HO* U 18 2HO* U 18 21.800 -1.571 13.278 172 H1* U 18 H1* U 18 21.606 -3.086 12.222 173 H3 U 18 H3 U 18 24.734 -3.828 15.257 174 H5 U 18 H5 U 18 26.158 -5.142 11.528 175 H6 U 18 H6 U 18 24.541 -3.852 10.499 176 1H5* U 19 1H5* U 19 17.578 -1.802 10.993 177 2H5* U 19 2H5* U 19 16.233 -0.724 10.554 178 H4* U 19 H4* U 19 15.755 -1.679 12.829 179 H3* U 19 H3* U 19 15.612 1.108 12.512 180 H2* U 19 H2* U 19 18.140 1.339 13.310 181 2HO* U 19 2HO* U 19 16.340 1.699 15.535 182 H1* U 19 H1* U 19 16.991 -0.384 15.459 183 H3 U 19 H3 U 19 20.509 0.115 18.209 184 H5 U 19 H5 U 19 22.299 0.224 14.382 185 H6 U 19 H6 U 19 20.139 -0.046 13.432 186 1H5* A 20 1H5* A 20 13.231 -1.305 11.279 187 2H5* A 20 2H5* A 20 11.885 -2.027 12.190 188 H4* A 20 H4* A 20 13.089 -3.656 10.608 189 H3* A 20 H3* A 20 12.937 -4.099 13.608 190 H2* A 20 H2* A 20 14.185 -5.923 13.597 191 2HO* A 20 2HO* A 20 14.532 -7.099 11.531 192 H1* A 20 H1* A 20 15.755 -5.340 11.293 193 H8 A 20 H8 A 20 15.045 -4.452 14.992 194 1H6 A 20 1H6 A 20 19.540 -4.265 16.604 195 2H6 A 20 2H6 A 20 21.099 -4.326 15.823 196 H2 A 20 H2 A 20 20.389 -4.846 11.475 197 1H5* A 21 1H5* A 21 12.251 -7.274 8.751 198 2H5* A 21 2H5* A 21 10.713 -8.011 9.227 199 H4* A 21 H4* A 21 12.376 -9.746 8.760 200 H3* A 21 H3* A 21 11.371 -9.400 11.579 201 H2* A 21 H2* A 21 13.107 -10.467 12.561 202 2HO* A 21 2HO* A 21 13.532 -12.155 10.383 203 H1* A 21 H1* A 21 14.898 -10.812 10.474 204 H8 A 21 H8 A 21 14.672 -9.621 13.855 205 1H6 A 21 1H6 A 21 18.914 -7.268 14.137 206 2H6 A 21 2H6 A 21 20.035 -6.722 12.916 207 H2 A 21 H2 A 21 18.380 -7.904 8.928 208 1H5* A 22 1H5* A 22 11.803 -14.907 8.441 209 2H5* A 22 2H5* A 22 13.243 -14.963 9.456 210 H4* A 22 H4* A 22 12.859 -13.210 6.958 211 H3* A 22 H3* A 22 14.563 -15.557 7.795 212 H2* A 22 H2* A 22 16.512 -14.622 7.230 213 2HO* A 22 2HO* A 22 16.638 -13.240 5.313 214 H1* A 22 H1* A 22 15.608 -11.901 6.757 215 H8 A 22 H8 A 22 15.989 -12.925 10.395 216 1H6 A 22 1H6 A 22 21.888 -11.206 9.936 217 2H6 A 22 2H6 A 22 20.681 -11.859 11.021 218 H2 A 22 H2 A 22 20.142 -10.911 6.014 219 1H5* A 23 1H5* A 23 16.185 -15.239 4.687 220 2H5* A 23 2H5* A 23 16.423 -16.692 3.706 221 H4* A 23 H4* A 23 18.593 -15.990 4.185 222 H3* A 23 H3* A 23 17.939 -17.838 6.575 223 H2* A 23 H2* A 23 20.390 -17.566 7.157 224 2HO* A 23 2HO* A 23 21.145 -17.810 5.176 225 H1* A 23 H1* A 23 20.418 -14.959 6.091 226 H8 A 23 H8 A 23 17.856 -14.766 8.967 227 1H6 A 23 1H6 A 23 21.060 -13.120 12.106 228 2H6 A 23 2H6 A 23 22.802 -13.128 12.164 229 H2 A 23 H2 A 23 24.195 -14.781 8.216 230 1H5* A 24 1H5* A 24 23.591 -18.916 5.687 231 2H5* A 24 2H5* A 24 22.780 -18.568 4.164 232 H4* A 24 H4* A 24 22.721 -20.680 3.545 233 H3* A 24 H3* A 24 21.841 -21.303 6.060 234 H2* A 24 H2* A 24 23.640 -22.278 7.307 235 2HO* A 24 2HO* A 24 24.757 -23.947 6.534 236 H1* A 24 H1* A 24 25.881 -21.779 5.787 237 H8 A 24 H8 A 24 23.166 -20.246 7.998 238 1H6 A 24 1H6 A 24 27.262 -16.165 10.004 239 2H6 A 24 2H6 A 24 25.694 -16.884 10.269 240 H2 A 24 H2 A 24 28.968 -18.152 6.331 241 1H5* C 25 1H5* C 25 20.373 -23.939 7.114 242 2H5* C 25 2H5* C 25 21.546 -22.813 7.811 243 H4* C 25 H4* C 25 20.932 -24.065 9.677 244 H3* C 25 H3* C 25 23.115 -25.695 8.345 245 H2* C 25 H2* C 25 22.909 -27.132 10.201 246 2HO* C 25 2HO* C 25 22.886 -25.233 11.654 247 H1* C 25 H1* C 25 20.183 -26.817 10.534 248 1H4 C 25 1H4 C 25 21.380 -31.956 6.539 249 2H4 C 25 2H4 C 25 21.000 -32.638 8.105 250 H5 C 25 H5 C 25 21.480 -29.561 6.133 251 H6 C 25 H6 C 25 21.503 -27.364 7.217 252 1H5* A 26 1H5* A 26 27.193 -24.879 11.860 253 2H5* A 26 2H5* A 26 27.307 -23.123 12.073 254 H4* A 26 H4* A 26 28.082 -24.799 9.685 255 H3* A 26 H3* A 26 29.470 -23.304 11.710 256 H2* A 26 H2* A 26 30.070 -21.366 10.682 257 2HO* A 26 2HO* A 26 31.509 -21.775 9.221 258 H1* A 26 H1* A 26 28.531 -21.218 8.369 259 H8 A 26 H8 A 26 25.844 -21.464 10.629 260 1H6 A 26 1H6 A 26 26.342 -17.404 13.449 261 2H6 A 26 2H6 A 26 27.565 -16.162 13.428 262 H2 A 26 H2 A 26 30.803 -17.469 10.614 263 1H5* C 27 1H5* C 27 32.970 -23.270 9.945 264 2H5* C 27 2H5* C 27 34.245 -24.115 10.838 265 H4* C 27 H4* C 27 34.791 -21.700 10.668 266 H3* C 27 H3* C 27 33.788 -22.002 13.471 267 H2* C 27 H2* C 27 34.621 -19.791 13.681 268 2HO* C 27 2HO* C 27 36.611 -19.996 12.809 269 H1* C 27 H1* C 27 34.011 -19.183 10.947 270 1H4 C 27 1H4 C 27 29.270 -16.300 14.455 271 2H4 C 27 2H4 C 27 30.475 -15.091 14.083 272 H5 C 27 H5 C 27 29.650 -18.550 14.232 273 H6 C 27 H6 C 27 30.938 -20.305 12.891 274 1H5* C 28 1H5* C 28 38.354 -19.867 13.507 275 2H5* C 28 2H5* C 28 38.832 -20.910 14.856 276 H4* C 28 H4* C 28 39.213 -18.344 15.088 277 H3* C 28 H3* C 28 37.872 -20.113 17.078 278 H2* C 28 H2* C 28 37.504 -18.393 18.569 279 2HO* C 28 2HO* C 28 39.398 -17.339 18.712 280 H1* C 28 H1* C 28 36.886 -16.380 16.672 281 1H4 C 28 1H4 C 28 31.443 -19.833 18.260 282 2H4 C 28 2H4 C 28 31.415 -18.382 19.262 283 H5 C 28 H5 C 28 33.213 -20.437 16.907 284 H6 C 28 H6 C 28 35.341 -19.694 15.759 285 1H5* G 29 1H5* G 29 41.926 -19.484 18.865 286 2H5* G 29 2H5* G 29 42.678 -20.726 19.875 287 H4* G 29 H4* G 29 41.396 -18.801 21.044 288 H3* G 29 H3* G 29 40.208 -21.548 21.638 289 H2* G 29 H2* G 29 38.691 -20.456 23.073 290 2HO* G 29 2HO* G 29 38.882 -18.234 23.524 291 H1* G 29 H1* G 29 38.141 -18.403 21.219 292 H8 G 29 H8 G 29 38.467 -21.431 18.967 293 H1 G 29 H1 G 29 32.502 -20.138 21.038 294 1H2 G 29 1H2 G 29 34.318 -18.286 23.632 295 2H2 G 29 2H2 G 29 32.759 -18.758 22.996 296 1H5* G 30 1H5* G 30 40.809 -19.896 24.837 297 2H5* G 30 2H5* G 30 41.085 -20.503 26.480 298 H4* G 30 H4* G 30 38.783 -19.626 26.056 299 H3* G 30 H3* G 30 39.031 -22.590 26.619 300 H2* G 30 H2* G 30 36.719 -22.828 26.388 301 2HO* G 30 2HO* G 30 36.754 -20.407 27.646 302 H1* G 30 H1* G 30 36.412 -20.418 24.833 303 H8 G 30 H8 G 30 38.123 -22.642 22.284 304 H1 G 30 H1 G 30 31.777 -23.352 22.497 305 1H2 G 30 1H2 G 30 31.937 -21.867 25.663 306 2H2 G 30 2H2 G 30 30.939 -22.558 24.401 Start of MODEL 19 1 1H5* A 3 1H5* A 3 26.325 -0.517 25.073 2 2H5* A 3 2H5* A 3 25.720 -1.701 26.283 3 H4* A 3 H4* A 3 23.844 -0.753 24.917 4 H3* A 3 H3* A 3 24.545 -3.735 24.104 5 H2* A 3 H2* A 3 22.808 -3.674 22.593 6 2HO* A 3 2HO* A 3 22.136 -1.431 24.121 7 H1* A 3 H1* A 3 22.737 -1.621 21.811 8 H8 A 3 H8 A 3 26.578 -2.784 21.812 9 1H6 A 3 1H6 A 3 27.310 -3.469 17.338 10 2H6 A 3 2H6 A 3 26.335 -3.499 15.863 11 H2 A 3 H2 A 3 22.151 -2.493 17.247 12 1H5* G 4 1H5* G 4 20.711 -3.279 23.189 13 2H5* G 4 2H5* G 4 19.575 -4.436 23.871 14 H4* G 4 H4* G 4 19.344 -4.120 21.389 15 H3* G 4 H3* G 4 20.829 -6.933 21.500 16 H2* G 4 H2* G 4 20.526 -7.010 19.126 17 2HO* G 4 2HO* G 4 19.333 -5.345 18.078 18 H1* G 4 H1* G 4 21.249 -4.466 18.736 19 H8 G 4 H8 G 4 23.776 -5.505 21.196 20 H1 G 4 H1 G 4 24.741 -6.692 14.951 21 1H2 G 4 1H2 G 4 21.205 -6.163 14.932 22 2H2 G 4 2H2 G 4 22.634 -6.536 14.004 23 1H5* U 5 1H5* U 5 17.296 -7.344 19.514 24 2H5* U 5 2H5* U 5 16.186 -8.665 19.907 25 H4* U 5 H4* U 5 16.426 -8.528 17.492 26 H3* U 5 H3* U 5 18.199 -10.880 18.385 27 H2* U 5 H2* U 5 18.436 -11.294 16.034 28 2HO* U 5 2HO* U 5 16.274 -9.502 15.917 29 H1* U 5 H1* U 5 19.002 -8.784 15.435 30 H3 U 5 H3 U 5 23.157 -10.017 15.157 31 H5 U 5 H5 U 5 22.565 -9.340 19.285 32 H6 U 5 H6 U 5 20.158 -9.163 18.842 33 1H5* G 6 1H5* G 6 16.505 -12.134 15.391 34 2H5* G 6 2H5* G 6 15.902 -13.807 15.405 35 H4* G 6 H4* G 6 17.440 -13.371 13.562 36 H3* G 6 H3* G 6 18.532 -15.168 15.700 37 H2* G 6 H2* G 6 20.350 -15.642 14.183 38 2HO* G 6 2HO* G 6 18.474 -14.734 12.346 39 H1* G 6 H1* G 6 20.551 -13.117 13.291 40 H8 G 6 H8 G 6 20.389 -12.834 17.065 41 H1 G 6 H1 G 6 26.297 -13.106 14.621 42 1H2 G 6 1H2 G 6 24.743 -14.367 11.730 43 2H2 G 6 2H2 G 6 26.230 -13.908 12.529 44 1H5* G 7 1H5* G 7 19.558 -18.706 16.717 45 2H5* G 7 2H5* G 7 19.566 -16.935 16.507 46 H4* G 7 H4* G 7 20.301 -18.360 14.067 47 H3* G 7 H3* G 7 21.786 -19.046 16.620 48 H2* G 7 H2* G 7 23.880 -18.836 15.352 49 2HO* G 7 2HO* G 7 22.058 -18.731 13.196 50 H1* G 7 H1* G 7 23.411 -16.592 14.397 51 H8 G 7 H8 G 7 21.415 -15.964 17.436 52 H1 G 7 H1 G 7 27.739 -15.005 18.100 53 1H2 G 7 1H2 G 7 27.766 -16.934 15.037 54 2H2 G 7 2H2 G 7 28.701 -16.063 16.227 55 1H5* CH 8 1H5* CH 8 22.934 -24.042 14.819 56 2H5* CH 8 2H5* CH 8 22.490 -22.472 14.174 57 H4* CH 8 H4* CH 8 24.968 -22.763 13.829 58 H3* CH 8 H3* CH 8 25.068 -22.719 17.036 59 H2* CH 8 H2* CH 8 27.489 -22.092 16.362 60 2HO* CH 8 2HO* CH 8 27.995 -21.771 14.207 61 H1* CH 8 H1* CH 8 26.784 -20.491 14.735 62 HN3 CH 8 HN3 CH 8 28.957 -18.618 18.060 63 1H4 CH 8 1H4 CH 8 28.653 -17.499 19.528 64 2H4 CH 8 2H4 CH 8 27.257 -16.983 20.410 65 H5 CH 8 H5 CH 8 24.916 -18.297 19.346 66 H6 CH 8 H6 CH 8 24.297 -19.662 17.348 67 1H5* G 9 1H5* G 9 27.441 -24.901 20.267 68 2H5* G 9 2H5* G 9 27.216 -26.455 19.422 69 H4* G 9 H4* G 9 24.676 -25.734 19.583 70 H3* G 9 H3* G 9 25.954 -23.806 21.464 71 H2* G 9 H2* G 9 25.144 -24.846 23.356 72 2HO* G 9 2HO* G 9 23.145 -24.223 23.695 73 H1* G 9 H1* G 9 23.386 -26.492 21.559 74 H8 G 9 H8 G 9 22.742 -28.772 22.805 75 H1 G 9 H1 G 9 26.739 -27.560 27.622 76 1H2 G 9 1H2 G 9 27.813 -24.891 25.652 77 2H2 G 9 2H2 G 9 27.976 -25.778 27.151 78 1H5* C 10 1H5* C 10 22.043 -23.085 20.543 79 2H5* C 10 2H5* C 10 21.241 -21.483 20.757 80 H4* C 10 H4* C 10 21.988 -22.592 22.959 81 H3* C 10 H3* C 10 23.631 -20.241 22.283 82 H2* C 10 H2* C 10 23.900 -20.060 24.540 83 2HO* C 10 2HO* C 10 22.639 -21.063 26.005 84 H1* C 10 H1* C 10 24.366 -23.057 24.370 85 1H4 C 10 1H4 C 10 29.440 -20.863 26.695 86 2H4 C 10 2H4 C 10 30.253 -21.427 25.246 87 H5 C 10 H5 C 10 27.334 -20.924 26.977 88 H6 C 10 H6 C 10 25.098 -21.151 26.019 89 1H5* C 11 1H5* C 11 22.263 -17.597 25.347 90 2H5* C 11 2H5* C 11 22.463 -15.977 24.680 91 H4* C 11 H4* C 11 24.043 -16.746 26.720 92 H3* C 11 H3* C 11 25.483 -15.430 24.324 93 H2* C 11 H2* C 11 27.548 -16.084 25.156 94 2HO* C 11 2HO* C 11 26.137 -16.430 27.601 95 H1* C 11 H1* C 11 26.906 -18.591 25.996 96 1H4 C 11 1H4 C 11 27.329 -20.261 19.948 97 2H4 C 11 2H4 C 11 28.944 -19.992 20.406 98 H5 C 11 H5 C 11 25.415 -19.496 21.231 99 H6 C 11 H6 C 11 24.884 -18.294 23.109 100 1H5* G 12 1H5* G 12 27.507 -13.677 26.943 101 2H5* G 12 2H5* G 12 27.532 -11.888 26.998 102 H4* G 12 H4* G 12 29.829 -12.829 26.761 103 H3* G 12 H3* G 12 28.944 -11.633 24.062 104 H2* G 12 H2* G 12 30.947 -12.190 23.211 105 2HO* G 12 2HO* G 12 32.688 -13.023 24.527 106 H1* G 12 H1* G 12 31.351 -14.494 24.363 107 H8 G 12 H8 G 12 27.888 -14.816 23.297 108 H1 G 12 H1 G 12 32.415 -17.109 19.363 109 1H2 G 12 1H2 G 12 34.682 -15.286 21.269 110 2H2 G 12 2H2 G 12 34.428 -16.391 19.919 111 1H5* A 13 1H5* A 13 32.897 -8.385 23.121 112 2H5* A 13 2H5* A 13 32.052 -9.379 21.924 113 H4* A 13 H4* A 13 34.405 -9.549 21.409 114 H3* A 13 H3* A 13 33.025 -11.901 22.544 115 H2* A 13 H2* A 13 34.680 -12.467 23.912 116 2HO* A 13 2HO* A 13 35.686 -13.058 21.319 117 H1* A 13 H1* A 13 36.485 -10.706 22.205 118 H8 A 13 H8 A 13 36.087 -10.219 25.919 119 1H6 A 13 1H6 A 13 40.325 -11.928 27.490 120 2H6 A 13 2H6 A 13 41.623 -12.802 26.709 121 H2 A 13 H2 A 13 40.414 -13.380 22.420 122 1H5* C 14 1H5* C 14 35.526 -13.970 19.744 123 2H5* C 14 2H5* C 14 36.830 -13.674 18.609 124 H4* C 14 H4* C 14 35.848 -15.477 17.609 125 H3* C 14 H3* C 14 34.578 -13.033 16.452 126 H2* C 14 H2* C 14 32.576 -14.113 15.836 127 2HO* C 14 2HO* C 14 34.250 -16.032 15.169 128 H1* C 14 H1* C 14 32.589 -16.228 17.363 129 1H4 C 14 1H4 C 14 28.656 -12.933 21.128 130 2H4 C 14 2H4 C 14 27.651 -13.777 19.971 131 H5 C 14 H5 C 14 31.129 -12.769 20.872 132 H6 C 14 H6 C 14 33.006 -13.448 19.448 133 1H5* C 15 1H5* C 15 34.974 -15.147 11.995 134 2H5* C 15 2H5* C 15 34.897 -13.535 11.264 135 H4* C 15 H4* C 15 33.036 -15.479 10.887 136 H3* C 15 H3* C 15 32.858 -12.484 10.858 137 H2* C 15 H2* C 15 30.610 -12.581 10.517 138 2HO* C 15 2HO* C 15 30.934 -14.590 9.067 139 H1* C 15 H1* C 15 30.055 -15.007 11.835 140 1H4 C 15 1H4 C 15 28.842 -11.828 17.255 141 2H4 C 15 2H4 C 15 27.292 -12.248 16.580 142 H5 C 15 H5 C 15 30.871 -12.051 16.147 143 H6 C 15 H6 C 15 32.058 -12.721 14.062 144 1H5* A 16 1H5* A 16 29.845 -12.367 6.429 145 2H5* A 16 2H5* A 16 30.156 -10.929 7.389 146 H4* A 16 H4* A 16 27.723 -12.466 7.029 147 H3* A 16 H3* A 16 28.141 -9.815 8.446 148 H2* A 16 H2* A 16 25.747 -10.214 9.264 149 2HO* A 16 2HO* A 16 24.473 -11.672 8.208 150 H1* A 16 H1* A 16 25.934 -12.642 9.594 151 H8 A 16 H8 A 16 29.045 -11.212 11.214 152 1H6 A 16 1H6 A 16 27.191 -10.317 15.451 153 2H6 A 16 2H6 A 16 25.552 -10.090 16.075 154 H2 A 16 H2 A 16 22.849 -10.625 12.557 155 1H5* C 17 1H5* C 17 25.194 -9.580 6.481 156 2H5* C 17 2H5* C 17 24.544 -8.214 5.569 157 H4* C 17 H4* C 17 23.024 -8.778 7.384 158 H3* C 17 H3* C 17 24.556 -6.192 7.595 159 H2* C 17 H2* C 17 23.507 -5.705 9.639 160 2HO* C 17 2HO* C 17 21.665 -6.996 10.323 161 H1* C 17 H1* C 17 23.067 -8.175 10.466 162 1H4 C 17 1H4 C 17 28.302 -7.414 14.114 163 2H4 C 17 2H4 C 17 26.917 -7.030 15.059 164 H5 C 17 H5 C 17 28.235 -7.753 11.613 165 H6 C 17 H6 C 17 26.677 -7.878 9.742 166 1H5* U 18 1H5* U 18 20.060 -5.152 7.835 167 2H5* U 18 2H5* U 18 19.907 -3.439 7.489 168 H4* U 18 H4* U 18 19.178 -4.426 9.845 169 H3* U 18 H3* U 18 20.187 -1.685 9.297 170 H2* U 18 H2* U 18 21.268 -1.554 11.459 171 2HO* U 18 2HO* U 18 19.813 -2.490 13.276 172 H1* U 18 H1* U 18 20.460 -3.885 12.402 173 H3 U 18 H3 U 18 23.988 -3.129 15.175 174 H5 U 18 H5 U 18 25.648 -4.030 11.435 175 H6 U 18 H6 U 18 23.437 -3.664 10.458 176 1H5* U 19 1H5* U 19 16.745 -3.330 11.677 177 2H5* U 19 2H5* U 19 15.568 -2.382 10.812 178 H4* U 19 H4* U 19 14.532 -3.097 13.012 179 H3* U 19 H3* U 19 14.426 -0.241 12.769 180 H2* U 19 H2* U 19 16.793 -0.028 13.725 181 2HO* U 19 2HO* U 19 14.590 0.420 15.514 182 H1* U 19 H1* U 19 15.602 -1.649 15.884 183 H3 U 19 H3 U 19 19.111 -1.319 18.647 184 H5 U 19 H5 U 19 20.912 -0.742 14.871 185 H6 U 19 H6 U 19 18.791 -0.932 13.894 186 1H5* A 20 1H5* A 20 12.274 -2.423 11.047 187 2H5* A 20 2H5* A 20 10.896 -3.264 11.781 188 H4* A 20 H4* A 20 12.204 -4.534 9.956 189 H3* A 20 H3* A 20 11.698 -5.668 12.737 190 H2* A 20 H2* A 20 12.769 -7.605 12.310 191 2HO* A 20 2HO* A 20 13.299 -8.198 10.112 192 H1* A 20 H1* A 20 14.736 -6.566 10.605 193 H8 A 20 H8 A 20 13.441 -6.734 14.217 194 1H6 A 20 1H6 A 20 17.547 -6.381 16.634 195 2H6 A 20 2H6 A 20 19.208 -6.102 16.159 196 H2 A 20 H2 A 20 19.257 -5.743 11.708 197 1H5* A 21 1H5* A 21 10.130 -10.593 10.945 198 2H5* A 21 2H5* A 21 10.822 -9.759 12.354 199 H4* A 21 H4* A 21 12.399 -10.585 9.823 200 H3* A 21 H3* A 21 12.143 -11.912 12.496 201 H2* A 21 H2* A 21 14.353 -11.677 12.716 202 2HO* A 21 2HO* A 21 14.695 -12.736 10.077 203 H1* A 21 H1* A 21 14.587 -10.256 9.967 204 H8 A 21 H8 A 21 15.372 -9.917 13.793 205 1H6 A 21 1H6 A 21 19.771 -7.907 13.430 206 2H6 A 21 2H6 A 21 20.804 -7.578 12.062 207 H2 A 21 H2 A 21 18.644 -8.909 8.381 208 1H5* A 22 1H5* A 22 12.881 -14.251 7.121 209 2H5* A 22 2H5* A 22 13.736 -14.070 8.644 210 H4* A 22 H4* A 22 14.115 -12.166 6.307 211 H3* A 22 H3* A 22 15.451 -14.820 7.003 212 H2* A 22 H2* A 22 17.502 -14.018 7.029 213 2HO* A 22 2HO* A 22 17.638 -12.009 5.324 214 H1* A 22 H1* A 22 16.845 -11.193 6.835 215 H8 A 22 H8 A 22 16.442 -12.483 10.266 216 1H6 A 22 1H6 A 22 21.013 -11.971 11.852 217 2H6 A 22 2H6 A 22 22.510 -11.629 11.015 218 H2 A 22 H2 A 22 21.622 -11.267 6.814 219 1H5* A 23 1H5* A 23 18.134 -13.878 3.912 220 2H5* A 23 2H5* A 23 17.883 -15.213 2.776 221 H4* A 23 H4* A 23 20.159 -15.279 2.965 222 H3* A 23 H3* A 23 19.339 -16.884 5.474 223 H2* A 23 H2* A 23 21.859 -17.438 5.606 224 2HO* A 23 2HO* A 23 22.013 -17.500 3.338 225 H1* A 23 H1* A 23 22.495 -14.764 5.110 226 H8 A 23 H8 A 23 19.437 -14.947 7.512 227 1H6 A 23 1H6 A 23 21.914 -13.764 11.568 228 2H6 A 23 2H6 A 23 23.585 -13.457 11.816 229 H2 A 23 H2 A 23 25.745 -14.216 7.943 230 1H5* A 24 1H5* A 24 22.746 -20.727 3.532 231 2H5* A 24 2H5* A 24 21.586 -21.580 4.568 232 H4* A 24 H4* A 24 24.035 -21.680 5.423 233 H3* A 24 H3* A 24 21.751 -21.185 7.112 234 H2* A 24 H2* A 24 22.921 -19.927 8.526 235 2HO* A 24 2HO* A 24 25.202 -21.488 8.592 236 H1* A 24 H1* A 24 25.539 -20.231 7.098 237 H8 A 24 H8 A 24 23.022 -17.743 8.758 238 1H6 A 24 1H6 A 24 28.085 -14.558 10.092 239 2H6 A 24 2H6 A 24 26.412 -14.828 10.527 240 H2 A 24 H2 A 24 29.067 -17.324 6.773 241 1H5* C 25 1H5* C 25 20.722 -23.831 8.375 242 2H5* C 25 2H5* C 25 22.427 -23.608 8.803 243 H4* C 25 H4* C 25 21.134 -24.924 10.466 244 H3* C 25 H3* C 25 23.399 -26.358 9.038 245 H2* C 25 H2* C 25 22.993 -28.178 10.555 246 2HO* C 25 2HO* C 25 22.953 -26.780 12.389 247 H1* C 25 H1* C 25 20.245 -27.800 10.728 248 1H4 C 25 1H4 C 25 21.451 -32.014 5.773 249 2H4 C 25 2H4 C 25 20.857 -32.984 7.103 250 H5 C 25 H5 C 25 21.757 -29.610 5.926 251 H6 C 25 H6 C 25 21.900 -27.733 7.483 252 1H5* A 26 1H5* A 26 26.434 -23.400 11.489 253 2H5* A 26 2H5* A 26 25.275 -23.566 10.164 254 H4* A 26 H4* A 26 27.453 -24.249 8.787 255 H3* A 26 H3* A 26 28.574 -22.954 11.224 256 H2* A 26 H2* A 26 29.577 -21.179 10.199 257 2HO* A 26 2HO* A 26 30.876 -21.969 8.716 258 H1* A 26 H1* A 26 27.990 -20.658 8.075 259 H8 A 26 H8 A 26 25.531 -21.084 10.805 260 1H6 A 26 1H6 A 26 26.270 -17.055 13.411 261 2H6 A 26 2H6 A 26 27.465 -15.786 13.300 262 H2 A 26 H2 A 26 30.259 -16.897 9.975 263 1H5* C 27 1H5* C 27 32.091 -23.478 9.396 264 2H5* C 27 2H5* C 27 33.370 -24.464 10.124 265 H4* C 27 H4* C 27 34.176 -22.145 9.713 266 H3* C 27 H3* C 27 33.755 -22.230 12.664 267 H2* C 27 H2* C 27 34.742 -20.130 12.571 268 2HO* C 27 2HO* C 27 35.985 -19.462 10.786 269 H1* C 27 H1* C 27 33.771 -19.499 9.992 270 1H4 C 27 1H4 C 27 31.299 -15.236 13.927 271 2H4 C 27 2H4 C 27 29.947 -16.303 14.235 272 H5 C 27 H5 C 27 29.926 -18.511 13.649 273 H6 C 27 H6 C 27 30.884 -20.251 12.133 274 1H5* C 28 1H5* C 28 36.934 -19.775 12.401 275 2H5* C 28 2H5* C 28 38.227 -20.834 12.990 276 H4* C 28 H4* C 28 38.525 -18.781 14.137 277 H3* C 28 H3* C 28 37.118 -20.841 15.805 278 H2* C 28 H2* C 28 37.014 -19.424 17.618 279 2HO* C 28 2HO* C 28 38.315 -17.542 17.769 280 H1* C 28 H1* C 28 36.594 -16.994 16.198 281 1H4 C 28 1H4 C 28 30.755 -19.908 17.184 282 2H4 C 28 2H4 C 28 30.918 -18.809 18.535 283 H5 C 28 H5 C 28 32.290 -20.226 15.572 284 H6 C 28 H6 C 28 34.594 -19.795 14.740 285 1H5* G 29 1H5* G 29 39.387 -19.225 18.337 286 2H5* G 29 2H5* G 29 40.274 -20.414 19.311 287 H4* G 29 H4* G 29 39.011 -18.858 20.708 288 H3* G 29 H3* G 29 37.440 -21.416 20.612 289 H2* G 29 H2* G 29 36.539 -20.512 22.712 290 2HO* G 29 2HO* G 29 37.231 -18.412 23.350 291 H1* G 29 H1* G 29 36.068 -18.113 21.205 292 H8 G 29 H8 G 29 35.548 -20.807 18.632 293 H1 G 29 H1 G 29 30.151 -19.284 21.807 294 1H2 G 29 1H2 G 29 32.480 -17.988 24.317 295 2H2 G 29 2H2 G 29 30.807 -18.236 23.862 296 1H5* G 30 1H5* G 30 38.693 -24.904 19.766 297 2H5* G 30 2H5* G 30 38.960 -24.179 18.179 298 H4* G 30 H4* G 30 36.766 -25.437 18.610 299 H3* G 30 H3* G 30 36.588 -22.532 17.741 300 H2* G 30 H2* G 30 34.289 -22.554 18.079 301 2HO* G 30 2HO* G 30 33.042 -24.414 17.632 302 H1* G 30 H1* G 30 34.519 -25.145 19.722 303 H8 G 30 H8 G 30 35.988 -22.583 21.787 304 H1 G 30 H1 G 30 29.745 -22.285 23.015 305 1H2 G 30 1H2 G 30 29.150 -23.532 19.802 306 2H2 G 30 2H2 G 30 28.480 -22.934 21.313 Start of MODEL 20 1 1H5* A 3 1H5* A 3 26.137 -3.576 26.697 2 2H5* A 3 2H5* A 3 24.465 -3.942 27.246 3 H4* A 3 H4* A 3 24.285 -2.269 25.543 4 H3* A 3 H3* A 3 23.935 -4.831 23.820 5 H2* A 3 H2* A 3 23.405 -3.367 22.078 6 2HO* A 3 2HO* A 3 22.847 -1.285 22.325 7 H1* A 3 H1* A 3 25.724 -1.814 22.549 8 H8 A 3 H8 A 3 27.195 -4.727 23.061 9 1H6 A 3 1H6 A 3 28.092 -5.928 18.435 10 2H6 A 3 2H6 A 3 27.315 -5.468 16.909 11 H2 A 3 H2 A 3 23.982 -2.674 17.982 12 1H5* G 4 1H5* G 4 20.938 -3.772 23.323 13 2H5* G 4 2H5* G 4 19.246 -4.248 23.583 14 H4* G 4 H4* G 4 19.496 -4.032 21.266 15 H3* G 4 H3* G 4 20.446 -7.049 21.417 16 H2* G 4 H2* G 4 20.583 -6.972 19.017 17 2HO* G 4 2HO* G 4 18.917 -4.700 19.417 18 H1* G 4 H1* G 4 21.624 -4.444 18.963 19 H8 G 4 H8 G 4 23.786 -5.948 21.437 20 H1 G 4 H1 G 4 24.937 -7.231 15.210 21 1H2 G 4 1H2 G 4 21.495 -6.117 15.103 22 2H2 G 4 2H2 G 4 22.870 -6.680 14.196 23 1H5* U 5 1H5* U 5 16.855 -7.032 19.215 24 2H5* U 5 2H5* U 5 15.588 -8.225 19.529 25 H4* U 5 H4* U 5 16.085 -8.184 17.141 26 H3* U 5 H3* U 5 17.504 -10.670 18.267 27 H2* U 5 H2* U 5 17.955 -11.200 15.999 28 2HO* U 5 2HO* U 5 15.881 -9.388 15.548 29 H1* U 5 H1* U 5 18.630 -8.678 15.322 30 H3 U 5 H3 U 5 22.708 -10.270 15.045 31 H5 U 5 H5 U 5 22.261 -9.185 19.068 32 H6 U 5 H6 U 5 19.838 -9.016 18.678 33 1H5* G 6 1H5* G 6 15.419 -13.886 15.868 34 2H5* G 6 2H5* G 6 16.950 -13.255 16.514 35 H4* G 6 H4* G 6 16.328 -14.010 13.679 36 H3* G 6 H3* G 6 17.801 -15.529 15.804 37 H2* G 6 H2* G 6 19.481 -16.120 14.195 38 2HO* G 6 2HO* G 6 19.184 -15.581 11.967 39 H1* G 6 H1* G 6 19.580 -13.781 12.926 40 H8 G 6 H8 G 6 19.580 -12.953 16.666 41 H1 G 6 H1 G 6 25.353 -13.679 14.079 42 1H2 G 6 1H2 G 6 23.626 -15.350 11.493 43 2H2 G 6 2H2 G 6 25.165 -14.801 12.122 44 1H5* G 7 1H5* G 7 18.598 -19.423 16.630 45 2H5* G 7 2H5* G 7 18.362 -17.670 16.635 46 H4* G 7 H4* G 7 19.473 -18.319 14.099 47 H3* G 7 H3* G 7 20.509 -20.293 15.978 48 H2* G 7 H2* G 7 22.341 -19.245 16.624 49 2HO* G 7 2HO* G 7 22.745 -19.577 13.899 50 H1* G 7 H1* G 7 22.393 -17.069 14.823 51 H8 G 7 H8 G 7 20.788 -15.869 17.933 52 H1 G 7 H1 G 7 27.191 -15.103 17.628 53 1H2 G 7 1H2 G 7 26.864 -17.632 15.108 54 2H2 G 7 2H2 G 7 27.907 -16.559 16.018 55 1H5* CH 8 1H5* CH 8 22.861 -23.867 14.216 56 2H5* CH 8 2H5* CH 8 22.868 -23.454 15.964 57 H4* CH 8 H4* CH 8 25.224 -23.205 13.972 58 H3* CH 8 H3* CH 8 24.826 -23.689 17.109 59 H2* CH 8 H2* CH 8 27.170 -23.072 17.234 60 2HO* CH 8 2HO* CH 8 28.399 -22.789 15.095 61 H1* CH 8 H1* CH 8 27.186 -21.497 15.161 62 HN3 CH 8 HN3 CH 8 29.158 -18.861 18.101 63 1H4 CH 8 1H4 CH 8 26.748 -17.237 20.042 64 2H4 CH 8 2H4 CH 8 28.426 -17.156 19.711 65 H5 CH 8 H5 CH 8 25.125 -18.864 19.336 66 H6 CH 8 H6 CH 8 24.679 -20.639 17.659 67 1H5* G 9 1H5* G 9 22.558 -27.624 17.537 68 2H5* G 9 2H5* G 9 21.589 -26.134 17.672 69 H4* G 9 H4* G 9 21.912 -27.513 19.814 70 H3* G 9 H3* G 9 21.744 -24.793 19.526 71 H2* G 9 H2* G 9 23.975 -24.298 19.410 72 2HO* G 9 2HO* G 9 22.951 -24.047 21.893 73 H1* G 9 H1* G 9 24.698 -26.283 21.552 74 H8 G 9 H8 G 9 25.695 -25.623 17.852 75 H1 G 9 H1 G 9 30.526 -25.718 22.007 76 1H2 G 9 1H2 G 9 29.746 -26.007 24.066 77 2H2 G 9 2H2 G 9 28.038 -26.175 24.407 78 1H5* C 10 1H5* C 10 20.811 -21.723 22.798 79 2H5* C 10 2H5* C 10 21.861 -22.627 21.702 80 H4* C 10 H4* C 10 22.494 -22.337 24.669 81 H3* C 10 H3* C 10 23.911 -20.392 22.772 82 H2* C 10 H2* C 10 25.333 -20.132 24.438 83 2HO* C 10 2HO* C 10 23.286 -21.322 25.921 84 H1* C 10 H1* C 10 25.549 -22.885 24.709 85 1H4 C 10 1H4 C 10 29.183 -23.339 19.415 86 2H4 C 10 2H4 C 10 30.337 -22.879 20.659 87 H5 C 10 H5 C 10 26.823 -23.200 19.691 88 H6 C 10 H6 C 10 25.117 -22.964 21.145 89 1H5* C 11 1H5* C 11 22.988 -15.736 26.502 90 2H5* C 11 2H5* C 11 22.987 -15.509 24.754 91 H4* C 11 H4* C 11 25.289 -16.242 26.689 92 H3* C 11 H3* C 11 25.765 -15.018 23.886 93 H2* C 11 H2* C 11 27.952 -15.505 24.301 94 2HO* C 11 2HO* C 11 28.785 -15.881 26.313 95 H1* C 11 H1* C 11 27.441 -17.887 25.646 96 1H4 C 11 1H4 C 11 28.220 -20.583 20.053 97 2H4 C 11 2H4 C 11 29.786 -20.176 20.572 98 H5 C 11 H5 C 11 26.137 -19.697 21.105 99 H6 C 11 H6 C 11 25.412 -18.227 22.757 100 1H5* G 12 1H5* G 12 27.726 -12.188 26.067 101 2H5* G 12 2H5* G 12 27.538 -10.465 25.610 102 H4* G 12 H4* G 12 29.916 -11.313 25.372 103 H3* G 12 H3* G 12 28.659 -10.850 22.588 104 H2* G 12 H2* G 12 30.614 -11.392 21.692 105 2HO* G 12 2HO* G 12 32.523 -11.861 23.019 106 H1* G 12 H1* G 12 31.344 -13.316 23.272 107 H8 G 12 H8 G 12 27.872 -14.234 22.492 108 H1 G 12 H1 G 12 32.301 -16.857 18.915 109 1H2 G 12 1H2 G 12 34.521 -14.488 20.294 110 2H2 G 12 2H2 G 12 34.323 -15.861 19.215 111 1H5* A 13 1H5* A 13 32.522 -7.680 20.623 112 2H5* A 13 2H5* A 13 31.597 -8.923 19.768 113 H4* A 13 H4* A 13 33.810 -9.282 19.092 114 H3* A 13 H3* A 13 32.607 -11.216 20.778 115 H2* A 13 H2* A 13 34.159 -11.591 22.383 116 2HO* A 13 2HO* A 13 35.276 -12.467 20.073 117 H1* A 13 H1* A 13 36.418 -10.133 21.375 118 H8 A 13 H8 A 13 33.453 -9.833 23.912 119 1H6 A 13 1H6 A 13 36.031 -8.107 27.584 120 2H6 A 13 2H6 A 13 37.714 -7.666 27.765 121 H2 A 13 H2 A 13 39.683 -8.375 23.790 122 1H5* C 14 1H5* C 14 35.279 -13.970 18.403 123 2H5* C 14 2H5* C 14 36.427 -13.873 17.064 124 H4* C 14 H4* C 14 35.274 -15.747 16.434 125 H3* C 14 H3* C 14 33.675 -13.434 15.345 126 H2* C 14 H2* C 14 31.852 -14.926 14.744 127 2HO* C 14 2HO* C 14 32.196 -17.107 14.591 128 H1* C 14 H1* C 14 32.071 -16.641 16.745 129 1H4 C 14 1H4 C 14 28.469 -12.493 20.053 130 2H4 C 14 2H4 C 14 27.361 -13.546 19.210 131 H5 C 14 H5 C 14 30.870 -12.470 19.531 132 H6 C 14 H6 C 14 32.593 -13.449 18.093 133 1H5* C 15 1H5* C 15 34.112 -14.718 10.561 134 2H5* C 15 2H5* C 15 33.416 -13.159 10.177 135 H4* C 15 H4* C 15 32.210 -15.692 9.923 136 H3* C 15 H3* C 15 30.914 -12.976 10.002 137 H2* C 15 H2* C 15 28.880 -13.973 9.675 138 2HO* C 15 2HO* C 15 28.723 -15.932 9.037 139 H1* C 15 H1* C 15 29.237 -16.092 11.417 140 1H4 C 15 1H4 C 15 28.006 -11.986 16.284 141 2H4 C 15 2H4 C 15 26.425 -12.516 15.791 142 H5 C 15 H5 C 15 29.942 -12.413 15.217 143 H6 C 15 H6 C 15 31.020 -13.376 13.236 144 1H5* A 16 1H5* A 16 28.174 -13.615 5.772 145 2H5* A 16 2H5* A 16 28.718 -12.369 6.888 146 H4* A 16 H4* A 16 26.127 -13.873 6.742 147 H3* A 16 H3* A 16 26.719 -10.938 7.118 148 H2* A 16 H2* A 16 24.836 -10.852 8.824 149 2HO* A 16 2HO* A 16 23.822 -12.783 6.976 150 H1* A 16 H1* A 16 24.667 -13.385 9.387 151 H8 A 16 H8 A 16 28.058 -12.122 10.539 152 1H6 A 16 1H6 A 16 26.679 -10.803 15.015 153 2H6 A 16 2H6 A 16 25.105 -10.417 15.737 154 H2 A 16 H2 A 16 22.042 -10.997 12.538 155 1H5* C 17 1H5* C 17 23.670 -7.819 5.730 156 2H5* C 17 2H5* C 17 25.185 -8.404 6.409 157 H4* C 17 H4* C 17 22.557 -8.494 7.940 158 H3* C 17 H3* C 17 24.563 -6.226 7.960 159 H2* C 17 H2* C 17 23.822 -5.765 10.149 160 2HO* C 17 2HO* C 17 21.510 -6.945 9.167 161 H1* C 17 H1* C 17 23.143 -8.364 10.648 162 1H4 C 17 1H4 C 17 28.361 -8.415 14.396 163 2H4 C 17 2H4 C 17 27.025 -7.845 15.329 164 H5 C 17 H5 C 17 28.242 -8.611 11.707 165 H6 C 17 H6 C 17 26.695 -8.523 9.969 166 1H5* U 18 1H5* U 18 21.374 -1.672 8.626 167 2H5* U 18 2H5* U 18 23.069 -2.111 8.719 168 H4* U 18 H4* U 18 20.921 -3.000 10.691 169 H3* U 18 H3* U 18 22.275 -0.508 10.683 170 H2* U 18 H2* U 18 23.938 -1.194 12.413 171 2HO* U 18 2HO* U 18 21.343 -1.087 13.430 172 H1* U 18 H1* U 18 22.164 -3.266 13.131 173 H3 U 18 H3 U 18 25.442 -4.053 16.113 174 H5 U 18 H5 U 18 26.719 -5.391 12.355 175 H6 U 18 H6 U 18 25.036 -4.112 11.368 176 1H5* U 19 1H5* U 19 17.952 -1.694 11.961 177 2H5* U 19 2H5* U 19 16.829 -0.452 11.391 178 H4* U 19 H4* U 19 16.076 -1.340 13.658 179 H3* U 19 H3* U 19 16.058 1.423 13.345 180 H2* U 19 H2* U 19 18.574 1.570 14.189 181 2HO* U 19 2HO* U 19 17.022 3.099 15.164 182 H1* U 19 H1* U 19 17.339 -0.057 16.383 183 H3 U 19 H3 U 19 20.943 0.045 19.071 184 H5 U 19 H5 U 19 22.631 0.194 15.192 185 H6 U 19 H6 U 19 20.464 0.173 14.317 186 1H5* A 20 1H5* A 20 12.449 -0.157 11.719 187 2H5* A 20 2H5* A 20 12.107 -1.055 13.203 188 H4* A 20 H4* A 20 13.280 -1.964 10.607 189 H3* A 20 H3* A 20 11.321 -2.936 12.296 190 H2* A 20 H2* A 20 12.586 -4.201 13.796 191 2HO* A 20 2HO* A 20 13.379 -6.211 12.759 192 H1* A 20 H1* A 20 14.828 -4.591 11.810 193 H8 A 20 H8 A 20 13.902 -3.617 15.455 194 1H6 A 20 1H6 A 20 18.176 -4.488 17.482 195 2H6 A 20 2H6 A 20 19.758 -4.854 16.832 196 H2 A 20 H2 A 20 19.361 -4.908 12.381 197 1H5* A 21 1H5* A 21 11.295 -6.897 9.911 198 2H5* A 21 2H5* A 21 12.363 -6.135 11.107 199 H4* A 21 H4* A 21 12.996 -8.599 9.405 200 H3* A 21 H3* A 21 12.017 -8.330 12.245 201 H2* A 21 H2* A 21 13.906 -9.267 13.224 202 2HO* A 21 2HO* A 21 14.482 -11.211 12.609 203 H1* A 21 H1* A 21 15.539 -9.651 11.022 204 H8 A 21 H8 A 21 15.088 -7.706 14.227 205 1H6 A 21 1H6 A 21 19.914 -7.065 14.876 206 2H6 A 21 2H6 A 21 21.245 -7.045 13.741 207 H2 A 21 H2 A 21 19.526 -7.963 9.685 208 1H5* A 22 1H5* A 22 13.200 -14.188 10.021 209 2H5* A 22 2H5* A 22 14.397 -13.489 11.082 210 H4* A 22 H4* A 22 13.830 -12.337 8.322 211 H3* A 22 H3* A 22 15.325 -14.792 9.144 212 H2* A 22 H2* A 22 17.368 -13.937 8.872 213 2HO* A 22 2HO* A 22 17.299 -14.553 6.717 214 H1* A 22 H1* A 22 16.520 -11.414 7.623 215 H8 A 22 H8 A 22 17.472 -11.753 11.343 216 1H6 A 22 1H6 A 22 22.150 -10.441 10.857 217 2H6 A 22 2H6 A 22 23.108 -10.029 9.466 218 H2 A 22 H2 A 22 20.720 -10.495 5.972 219 1H5* A 23 1H5* A 23 15.823 -15.828 4.974 220 2H5* A 23 2H5* A 23 15.227 -17.483 4.743 221 H4* A 23 H4* A 23 17.551 -17.553 4.218 222 H3* A 23 H3* A 23 17.396 -18.327 7.217 223 H2* A 23 H2* A 23 19.899 -18.934 6.907 224 2HO* A 23 2HO* A 23 19.687 -19.661 4.845 225 H1* A 23 H1* A 23 20.371 -16.499 5.656 226 H8 A 23 H8 A 23 17.695 -16.071 8.449 227 1H6 A 23 1H6 A 23 20.696 -13.777 11.544 228 2H6 A 23 2H6 A 23 22.419 -13.515 11.508 229 H2 A 23 H2 A 23 23.955 -15.271 7.702 230 1H5* A 24 1H5* A 24 19.655 -23.651 5.571 231 2H5* A 24 2H5* A 24 19.833 -22.885 7.179 232 H4* A 24 H4* A 24 21.382 -21.978 4.774 233 H3* A 24 H3* A 24 21.869 -24.272 6.610 234 H2* A 24 H2* A 24 23.343 -23.188 7.836 235 2HO* A 24 2HO* A 24 25.442 -23.322 7.179 236 H1* A 24 H1* A 24 23.535 -20.996 5.723 237 H8 A 24 H8 A 24 22.322 -21.134 9.226 238 1H6 A 24 1H6 A 24 26.145 -16.349 10.206 239 2H6 A 24 2H6 A 24 24.746 -17.199 10.817 240 H2 A 24 H2 A 24 27.320 -18.433 6.356 241 1H5* C 25 1H5* C 25 22.805 -26.900 7.096 242 2H5* C 25 2H5* C 25 23.771 -25.442 6.987 243 H4* C 25 H4* C 25 24.738 -26.996 8.410 244 H3* C 25 H3* C 25 26.119 -25.804 6.277 245 H2* C 25 H2* C 25 26.412 -27.538 4.956 246 2HO* C 25 2HO* C 25 28.513 -28.510 5.371 247 H1* C 25 H1* C 25 26.911 -29.440 7.226 248 1H4 C 25 1H4 C 25 24.610 -32.986 2.206 249 2H4 C 25 2H4 C 25 26.272 -33.494 2.412 250 H5 C 25 H5 C 25 23.578 -31.362 3.709 251 H6 C 25 H6 C 25 24.145 -29.283 4.975 252 1H5* A 26 1H5* A 26 26.239 -24.807 11.260 253 2H5* A 26 2H5* A 26 25.382 -25.467 9.857 254 H4* A 26 H4* A 26 27.441 -24.888 8.490 255 H3* A 26 H3* A 26 28.156 -23.683 11.129 256 H2* A 26 H2* A 26 28.943 -21.745 10.179 257 2HO* A 26 2HO* A 26 29.195 -23.281 7.798 258 H1* A 26 H1* A 26 27.227 -21.623 7.954 259 H8 A 26 H8 A 26 24.698 -21.710 10.391 260 1H6 A 26 1H6 A 26 26.889 -16.652 13.274 261 2H6 A 26 2H6 A 26 25.604 -17.831 13.310 262 H2 A 26 H2 A 26 29.828 -17.929 10.124 263 1H5* C 27 1H5* C 27 31.607 -23.640 9.302 264 2H5* C 27 2H5* C 27 33.004 -24.568 9.871 265 H4* C 27 H4* C 27 34.010 -22.652 10.249 266 H3* C 27 H3* C 27 32.814 -22.669 12.998 267 H2* C 27 H2* C 27 33.915 -20.565 13.181 268 2HO* C 27 2HO* C 27 35.863 -20.969 12.317 269 H1* C 27 H1* C 27 33.354 -19.946 10.451 270 1H4 C 27 1H4 C 27 28.614 -17.056 14.000 271 2H4 C 27 2H4 C 27 29.797 -15.836 13.588 272 H5 C 27 H5 C 27 28.969 -19.268 13.735 273 H6 C 27 H6 C 27 30.214 -21.041 12.328 274 1H5* C 28 1H5* C 28 38.050 -21.744 13.719 275 2H5* C 28 2H5* C 28 37.762 -22.427 15.328 276 H4* C 28 H4* C 28 38.828 -19.952 14.880 277 H3* C 28 H3* C 28 37.330 -21.164 17.156 278 H2* C 28 H2* C 28 36.875 -19.175 18.213 279 2HO* C 28 2HO* C 28 38.851 -18.283 18.403 280 H1* C 28 H1* C 28 36.640 -17.430 16.044 281 1H4 C 28 1H4 C 28 30.853 -20.240 17.688 282 2H4 C 28 2H4 C 28 30.949 -18.766 18.636 283 H5 C 28 H5 C 28 32.595 -21.104 16.464 284 H6 C 28 H6 C 28 34.733 -20.553 15.226 285 1H5* G 29 1H5* G 29 40.226 -19.403 19.273 286 2H5* G 29 2H5* G 29 41.194 -20.244 20.493 287 H4* G 29 H4* G 29 39.819 -18.370 21.418 288 H3* G 29 H3* G 29 38.709 -21.053 22.313 289 H2* G 29 H2* G 29 37.105 -19.877 23.591 290 2HO* G 29 2HO* G 29 37.278 -17.636 23.936 291 H1* G 29 H1* G 29 36.690 -17.855 21.653 292 H8 G 29 H8 G 29 36.555 -20.943 19.484 293 H1 G 29 H1 G 29 30.867 -19.168 21.909 294 1H2 G 29 1H2 G 29 32.952 -17.362 24.323 295 2H2 G 29 2H2 G 29 31.329 -17.750 23.797 296 1H5* G 30 1H5* G 30 39.687 -19.430 25.790 297 2H5* G 30 2H5* G 30 39.834 -20.432 27.248 298 H4* G 30 H4* G 30 37.623 -19.172 26.774 299 H3* G 30 H3* G 30 37.720 -22.137 27.355 300 H2* G 30 H2* G 30 35.452 -22.346 26.935 301 2HO* G 30 2HO* G 30 34.024 -20.540 27.335 302 H1* G 30 H1* G 30 35.251 -19.773 25.546 303 H8 G 30 H8 G 30 36.737 -21.900 22.806 304 H1 G 30 H1 G 30 30.384 -22.089 23.016 305 1H2 G 30 1H2 G 30 30.593 -20.973 26.321 306 2H2 G 30 2H2 G 30 29.571 -21.451 24.977
Contact the webmaster for help, if required. Thursday, May 23, 2024 11:46:10 PM GMT (wattos1)