NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
2146 | 1bgz | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H5* G 1 1H5* G 1 -8.688 -23.760 -5.899 2 2H5* G 1 2H5* G 1 -9.573 -22.787 -4.696 3 H4* G 1 H4* G 1 -7.721 -24.112 -3.698 4 H3* G 1 H3* G 1 -7.444 -21.094 -3.803 5 1H2* G 1 H2* G 1 -5.417 -21.233 -2.626 6 2HO* G 1 HO2* G 1 -4.732 -23.253 -1.688 7 H1* G 1 H1* G 1 -4.415 -23.428 -3.948 8 H8 G 1 H8 G 1 -5.940 -21.369 -6.615 9 H1 G 1 H1 G 1 -0.639 -18.630 -4.367 10 1H2 G 1 1H2 G 1 -0.009 -19.627 -2.487 11 2H2 G 1 2H2 G 1 -0.892 -20.967 -1.790 12 H5T G 1 H5* G 1 -9.125 -21.612 -6.599 13 1H5* G 2 1H5* G 2 -7.326 -21.704 0.824 14 2H5* G 2 2H5* G 2 -8.106 -20.188 1.351 15 H4* G 2 H4* G 2 -5.719 -20.708 2.198 16 H3* G 2 H3* G 2 -6.419 -18.152 0.703 17 1H2* G 2 H2* G 2 -4.243 -17.365 1.180 18 2HO* G 2 HO2* G 2 -2.840 -18.650 2.574 19 H1* G 2 H1* G 2 -2.964 -19.733 0.616 20 H8 G 2 H8 G 2 -5.582 -19.356 -1.998 21 H1 G 2 H1 G 2 -0.776 -15.269 -2.911 22 1H2 G 2 1H2 G 2 0.518 -15.206 -1.108 23 2H2 G 2 2H2 G 2 0.196 -16.171 0.315 24 1H5* G 3 1H5* G 3 -4.632 -17.082 4.623 25 2H5* G 3 2H5* G 3 -5.232 -15.477 5.115 26 H4* G 3 H4* G 3 -2.670 -15.864 4.883 27 H3* G 3 H3* G 3 -4.182 -13.625 3.492 28 1H2* G 3 H2* G 3 -2.121 -12.768 2.740 29 2HO* G 3 HO2* G 3 -0.845 -14.644 4.481 30 H1* G 3 H1* G 3 -1.010 -15.201 2.083 31 H8 G 3 H8 G 3 -4.469 -15.466 0.827 32 H1 G 3 H1 G 3 -1.097 -11.315 -2.642 33 1H2 G 3 1H2 G 3 1.209 -11.485 -0.032 34 2H2 G 3 2H2 G 3 0.787 -10.800 -1.585 35 1H5* A 4 1H5* A 4 -0.877 -12.007 6.217 36 2H5* A 4 2H5* A 4 -1.291 -10.336 6.648 37 H4* A 4 H4* A 4 1.020 -10.823 5.518 38 H3* A 4 H3* A 4 -0.948 -8.650 4.740 39 1H2* A 4 H2* A 4 0.549 -7.869 3.110 40 2HO* A 4 HO2* A 4 2.423 -8.051 4.550 41 H1* A 4 H1* A 4 1.418 -10.345 2.237 42 H8 A 4 H8 A 4 -2.234 -10.749 2.487 43 1H6 A 4 1H6 A 4 -2.865 -7.445 -2.673 44 2H6 A 4 2H6 A 4 -3.676 -8.502 -1.540 45 H2 A 4 H2 A 4 1.355 -6.957 -1.216 46 1H5* U 5 1H5* U 5 1.796 -4.396 5.917 47 2H5* U 5 2H5* U 5 0.518 -4.190 4.702 48 H4* U 5 H4* U 5 3.468 -4.748 4.222 49 H3* U 5 H3* U 5 2.252 -2.342 4.516 50 1H2* U 5 H2* U 5 0.545 -2.604 2.940 51 2HO* U 5 HO2* U 5 2.749 -1.698 1.353 52 H1* U 5 H1* U 5 2.355 -3.857 0.896 53 H3 U 5 H3 U 5 -1.394 -4.240 -1.564 54 H5 U 5 H5 U 5 -2.494 -5.936 2.132 55 H6 U 5 H6 U 5 -0.323 -5.292 3.002 56 1H5* A 6 1H5* A 6 6.739 -2.611 4.114 57 2H5* A 6 2H5* A 6 7.558 -1.042 4.259 58 H4* A 6 H4* A 6 9.068 -2.284 2.960 59 H3* A 6 H3* A 6 7.170 -0.742 1.166 60 1H2* A 6 H2* A 6 8.283 -1.569 -0.732 61 2HO* A 6 HO2* A 6 10.433 -1.264 0.320 62 H1* A 6 H1* A 6 8.602 -4.148 0.179 63 H8 A 6 H8 A 6 5.167 -3.423 1.218 64 1H6 A 6 1H6 A 6 3.330 -3.806 -4.645 65 2H6 A 6 2H6 A 6 2.803 -3.746 -2.977 66 H2 A 6 H2 A 6 7.817 -3.588 -4.605 67 1H5* C 7 1H5* C 7 10.220 0.540 -0.537 68 2H5* C 7 2H5* C 7 10.320 2.287 -0.834 69 H4* C 7 H4* C 7 10.145 1.179 -2.975 70 H3* C 7 H3* C 7 7.590 2.512 -2.019 71 1H2* C 7 H2* C 7 6.567 1.972 -4.067 72 2HO* C 7 HO2* C 7 8.744 2.482 -5.192 73 H1* C 7 H1* C 7 7.623 -0.568 -4.277 74 1H4 C 7 1H4 C 7 2.343 -0.781 -0.272 75 2H4 C 7 2H4 C 7 1.731 -1.112 -1.877 76 H5 C 7 H5 C 7 4.631 -0.167 0.168 77 H6 C 7 H6 C 7 6.827 0.254 -0.834 78 1H5* U 8 1H5* U 8 9.007 4.153 -5.863 79 2H5* U 8 2H5* U 8 8.437 5.801 -6.188 80 H4* U 8 H4* U 8 7.873 3.973 -7.931 81 H3* U 8 H3* U 8 5.858 5.851 -6.662 82 1H2* U 8 H2* U 8 4.163 4.948 -8.010 83 2HO* U 8 HO2* U 8 6.185 3.586 -9.506 84 H1* U 8 H1* U 8 4.977 2.310 -7.851 85 H3 U 8 H3 U 8 0.910 2.827 -5.782 86 H5 U 8 H5 U 8 3.774 3.993 -2.919 87 H6 U 8 H6 U 8 5.467 3.859 -4.648 88 1H5* G 9 1H5* G 9 4.464 6.171 -10.048 89 2H5* G 9 2H5* G 9 4.546 7.819 -10.722 90 H4* G 9 H4* G 9 2.255 7.104 -10.842 91 H3* G 9 H3* G 9 2.816 8.878 -8.446 92 1H2* G 9 H2* G 9 0.551 8.797 -7.845 93 2HO* G 9 HO2* G 9 0.022 7.611 -10.392 94 H1* G 9 H1* G 9 0.140 6.131 -8.445 95 H8 G 9 H8 G 9 3.427 6.814 -6.653 96 H1 G 9 H1 G 9 -1.557 6.379 -2.699 97 1H2 G 9 1H2 G 9 -3.473 6.342 -5.612 98 2H2 G 9 2H2 G 9 -3.444 6.291 -3.863 99 1H5* C 10 1H5* C 10 -0.350 10.945 -10.084 100 2H5* C 10 2H5* C 10 0.023 12.675 -10.226 101 H4* C 10 H4* C 10 -1.993 12.396 -8.882 102 H3* C 10 H3* C 10 0.528 13.214 -7.407 103 1H2* C 10 H2* C 10 -0.690 13.384 -5.408 104 2HO* C 10 HO2* C 10 -3.014 13.304 -7.070 105 H1* C 10 H1* C 10 -2.283 11.159 -5.793 106 1H4 C 10 1H4 C 10 3.572 9.313 -3.268 107 2H4 C 10 2H4 C 10 2.429 9.283 -1.943 108 H5 C 10 H5 C 10 2.999 10.055 -5.488 109 H6 C 10 H6 C 10 1.216 10.944 -6.911 110 1H5* U 11 1H5* U 11 -2.063 15.826 -6.128 111 2H5* U 11 2H5* U 11 -1.584 17.534 -6.149 112 H4* U 11 H4* U 11 -2.176 16.869 -3.868 113 H3* U 11 H3* U 11 0.763 17.352 -4.451 114 1H2* U 11 H2* U 11 1.283 16.961 -2.193 115 2HO* U 11 HO2* U 11 -1.526 17.211 -1.713 116 H1* U 11 H1* U 11 -0.478 14.868 -1.800 117 H3 U 11 H3 U 11 3.723 13.136 -1.451 118 H5 U 11 H5 U 11 3.072 13.528 -5.596 119 H6 U 11 H6 U 11 1.029 14.736 -5.097 120 1H5* U 12 1H5* U 12 -1.349 21.876 -2.720 121 2H5* U 12 2H5* U 12 -0.061 22.534 -1.694 122 H4* U 12 H4* U 12 -1.720 22.807 -0.172 123 H3* U 12 H3* U 12 -0.398 20.512 0.409 124 1H2* U 12 H2* U 12 -1.752 19.034 -0.806 125 2HO* U 12 HO2* U 12 -3.582 18.760 1.174 126 H1* U 12 H1* U 12 -4.291 20.338 0.158 127 H3 U 12 H3 U 12 -6.222 17.093 -2.341 128 H5 U 12 H5 U 12 -3.712 19.101 -5.064 129 H6 U 12 H6 U 12 -2.844 20.398 -3.209 130 1H5* C 13 1H5* C 13 -1.644 18.953 2.582 131 2H5* C 13 2H5* C 13 -1.318 19.058 4.321 132 H4* C 13 H4* C 13 -0.738 16.838 3.400 133 H3* C 13 H3* C 13 0.761 18.267 5.162 134 1H2* C 13 H2* C 13 2.136 19.326 3.618 135 2HO* C 13 HO2* C 13 4.138 18.353 3.735 136 H1* C 13 H1* C 13 2.541 16.811 2.006 137 1H4 C 13 1H4 C 13 4.780 21.043 -2.150 138 2H4 C 13 2H4 C 13 3.737 22.303 -1.532 139 H5 C 13 H5 C 13 2.154 21.952 0.255 140 H6 C 13 H6 C 13 1.264 20.324 1.850 141 1H5* G 14 1H5* G 14 0.822 14.894 6.345 142 2H5* G 14 2H5* G 14 1.321 13.222 6.714 143 H4* G 14 H4* G 14 -1.145 13.694 6.980 144 H3* G 14 H3* G 14 -0.175 11.700 4.910 145 1H2* G 14 H2* G 14 -2.398 11.183 4.370 146 2HO* G 14 HO2* G 14 -3.037 11.151 6.680 147 H1* G 14 H1* G 14 -3.396 13.754 4.516 148 H8 G 14 H8 G 14 -3.857 14.051 2.003 149 H1 G 14 H1 G 14 1.624 11.319 0.233 150 1H2 G 14 1H2 G 14 2.791 10.731 2.030 151 2H2 G 14 2H2 G 14 2.213 11.010 3.657 152 1H5* G 15 1H5* G 15 -1.853 9.248 8.182 153 2H5* G 15 2H5* G 15 -1.519 7.497 8.105 154 H4* G 15 H4* G 15 -3.750 8.416 7.124 155 H3* G 15 H3* G 15 -1.786 6.659 5.616 156 1H2* G 15 H2* G 15 -3.255 6.603 3.778 157 2HO* G 15 HO2* G 15 -5.230 7.915 5.372 158 H1* G 15 H1* G 15 -3.977 9.255 3.854 159 H8 G 15 H8 G 15 -0.304 8.285 4.515 160 H1 G 15 H1 G 15 -1.633 9.480 -1.606 161 1H2 G 15 1H2 G 15 -3.814 9.822 -1.856 162 2H2 G 15 2H2 G 15 -4.935 9.756 -0.514 163 1H5* U 16 1H5* U 16 -5.614 5.168 5.184 164 2H5* U 16 2H5* U 16 -5.740 3.432 4.838 165 H4* U 16 H4* U 16 -6.554 5.079 3.015 166 H3* U 16 H3* U 16 -4.591 2.814 2.560 167 1H2* U 16 H2* U 16 -4.521 3.331 0.268 168 2HO* U 16 HO2* U 16 -6.865 3.610 0.122 169 H1* U 16 H1* U 16 -4.560 6.083 0.538 170 H3 U 16 H3 U 16 -0.439 5.272 -1.130 171 H5 U 16 H5 U 16 -0.233 3.771 2.801 172 H6 U 16 H6 U 16 -2.608 4.212 3.026 173 1H5* A 17 1H5* A 17 -8.407 1.759 0.660 174 2H5* A 17 2H5* A 17 -8.589 0.092 0.078 175 H4* A 17 H4* A 17 -7.974 2.117 -1.574 176 H3* A 17 H3* A 17 -8.021 -0.585 -1.876 177 1H2* A 17 H2* A 17 -5.891 -1.051 -0.996 178 2HO* A 17 HO2* A 17 -5.888 -0.814 -3.773 179 H1* A 17 H1* A 17 -4.623 1.233 -2.497 180 H8 A 17 H8 A 17 -4.943 -0.616 0.896 181 1H6 A 17 1H6 A 17 1.006 0.750 1.713 182 2H6 A 17 2H6 A 17 -0.381 -0.074 2.389 183 H2 A 17 H2 A 17 -0.344 2.646 -2.128 184 1H5* A 18 1H5* A 18 -9.540 1.088 -6.759 185 2H5* A 18 2H5* A 18 -9.564 -0.623 -7.232 186 H4* A 18 H4* A 18 -8.474 0.489 -9.028 187 H3* A 18 H3* A 18 -6.503 -0.743 -7.078 188 1H2* A 18 H2* A 18 -4.721 -0.046 -8.444 189 2HO* A 18 HO2* A 18 -6.405 -0.452 -10.416 190 H1* A 18 H1* A 18 -5.719 2.448 -9.031 191 H8 A 18 H8 A 18 -6.381 1.651 -5.409 192 1H6 A 18 1H6 A 18 -0.597 3.375 -4.205 193 2H6 A 18 2H6 A 18 -2.142 2.944 -3.506 194 H2 A 18 H2 A 18 -1.076 3.134 -8.667 195 1H5* G 19 1H5* G 19 -5.233 -1.992 -10.735 196 2H5* G 19 2H5* G 19 -4.406 -3.571 -10.727 197 H4* G 19 H4* G 19 -3.074 -1.410 -11.340 198 H3* G 19 H3* G 19 -2.229 -3.452 -9.263 199 1H2* G 19 H2* G 19 -0.233 -2.271 -8.910 200 2HO* G 19 HO2* G 19 0.053 -1.908 -11.271 201 H1* G 19 H1* G 19 -1.323 0.267 -9.039 202 H8 G 19 H8 G 19 -3.776 -1.211 -6.872 203 H1 G 19 H1 G 19 1.905 -1.369 -3.981 204 1H2 G 19 1H2 G 19 3.519 -0.993 -5.460 205 2H2 G 19 2H2 G 19 3.190 -0.706 -7.154 206 1H5* U 20 1H5* U 20 1.079 -3.496 -10.751 207 2H5* U 20 2H5* U 20 1.741 -5.096 -11.143 208 H4* U 20 H4* U 20 3.007 -3.883 -9.332 209 H3* U 20 H3* U 20 1.628 -6.531 -8.796 210 1H2* U 20 H2* U 20 2.489 -6.546 -6.614 211 2HO* U 20 HO2* U 20 4.208 -4.422 -7.458 212 H1* U 20 H1* U 20 2.145 -3.853 -6.095 213 H3 U 20 H3 U 20 -0.516 -6.668 -3.518 214 H5 U 20 H5 U 20 -2.769 -5.636 -6.928 215 H6 U 20 H6 U 20 -0.761 -4.669 -7.883 216 1H5* C 21 1H5* C 21 5.502 -6.737 -7.337 217 2H5* C 21 2H5* C 21 6.324 -8.264 -7.721 218 H4* C 21 H4* C 21 6.374 -7.760 -5.286 219 H3* C 21 H3* C 21 4.808 -10.155 -6.290 220 1H2* C 21 H2* C 21 4.301 -10.762 -4.082 221 2HO* C 21 HO2* C 21 6.182 -8.810 -3.173 222 H1* C 21 H1* C 21 3.869 -8.206 -3.121 223 1H4 C 21 1H4 C 21 -1.661 -10.361 -6.080 224 2H4 C 21 2H4 C 21 -1.884 -10.647 -4.370 225 H5 C 21 H5 C 21 0.394 -9.526 -7.023 226 H6 C 21 H6 C 21 2.675 -8.782 -6.530 227 1H5* C 22 1H5* C 22 7.365 -11.546 -3.072 228 2H5* C 22 2H5* C 22 8.393 -12.814 -3.770 229 H4* C 22 H4* C 22 7.503 -13.513 -1.578 230 H3* C 22 H3* C 22 6.496 -14.926 -4.066 231 1H2* C 22 H2* C 22 5.224 -16.382 -2.737 232 2HO* C 22 HO2* C 22 6.581 -15.363 -0.436 233 H1* C 22 H1* C 22 4.381 -14.506 -0.891 234 1H4 C 22 1H4 C 22 0.390 -14.128 -6.164 235 2H4 C 22 2H4 C 22 -0.337 -15.331 -5.122 236 H5 C 22 H5 C 22 2.531 -13.118 -5.720 237 H6 C 22 H6 C 22 4.432 -13.034 -4.179 238 1H5* C 23 1H5* C 23 7.289 -18.123 -1.239 239 2H5* C 23 2H5* C 23 8.565 -19.058 -2.045 240 H4* C 23 H4* C 23 6.956 -20.654 -1.286 241 H3* C 23 H3* C 23 6.705 -20.000 -4.238 242 1H2* C 23 H2* C 23 4.972 -21.569 -4.443 243 2HO* C 23 HO2* C 23 5.996 -23.248 -3.229 244 H1* C 23 H1* C 23 3.726 -21.012 -2.039 245 1H4 C 23 1H4 C 23 1.706 -16.657 -6.619 246 2H4 C 23 2H4 C 23 0.432 -17.846 -6.473 247 H5 C 23 H5 C 23 3.801 -16.816 -5.438 248 H6 C 23 H6 C 23 5.127 -18.150 -3.866 249 H3T C 23 H3T C 23 7.731 -22.125 -4.403 Start of MODEL 2 1 1H5* G 1 1H5* G 1 -11.632 -22.157 -4.449 2 2H5* G 1 2H5* G 1 -12.249 -20.630 -3.766 3 H4* G 1 H4* G 1 -10.790 -21.917 -2.197 4 H3* G 1 H3* G 1 -9.825 -19.250 -3.272 5 1H2* G 1 H2* G 1 -7.897 -19.397 -1.943 6 2HO* G 1 HO2* G 1 -7.706 -20.949 -0.265 7 H1* G 1 H1* G 1 -7.432 -22.091 -2.309 8 H8 G 1 H8 G 1 -8.514 -19.734 -5.183 9 H1 G 1 H1 G 1 -2.217 -20.616 -4.713 10 1H2 G 1 1H2 G 1 -1.757 -21.873 -2.943 11 2H2 G 1 2H2 G 1 -3.002 -22.493 -1.881 12 H5T G 1 H5* G 1 -11.411 -20.568 -5.984 13 1H5* G 2 1H5* G 2 -9.993 -19.261 1.300 14 2H5* G 2 2H5* G 2 -10.379 -17.606 1.841 15 H4* G 2 H4* G 2 -8.390 -18.698 2.968 16 H3* G 2 H3* G 2 -8.053 -16.180 1.307 17 1H2* G 2 H2* G 2 -5.788 -16.094 1.918 18 2HO* G 2 HO2* G 2 -5.005 -17.679 3.544 19 H1* G 2 H1* G 2 -5.287 -18.796 1.717 20 H8 G 2 H8 G 2 -7.452 -17.534 -1.125 21 H1 G 2 H1 G 2 -1.253 -16.333 -2.012 22 1H2 G 2 1H2 G 2 -0.119 -16.782 -0.158 23 2H2 G 2 2H2 G 2 -0.892 -17.379 1.294 24 1H5* G 3 1H5* G 3 -6.208 -15.522 5.210 25 2H5* G 3 2H5* G 3 -6.504 -13.838 5.716 26 H4* G 3 H4* G 3 -4.079 -14.639 5.720 27 H3* G 3 H3* G 3 -5.008 -12.281 4.053 28 1H2* G 3 H2* G 3 -2.799 -11.896 3.369 29 2HO* G 3 HO2* G 3 -2.103 -12.502 5.718 30 H1* G 3 H1* G 3 -2.070 -14.539 3.052 31 H8 G 3 H8 G 3 -5.432 -14.266 1.521 32 H1 G 3 H1 G 3 -1.019 -11.395 -2.069 33 1H2 G 3 1H2 G 3 1.022 -11.698 0.742 34 2H2 G 3 2H2 G 3 0.858 -11.148 -0.911 35 1H5* A 4 1H5* A 4 -1.639 -11.032 6.735 36 2H5* A 4 2H5* A 4 -1.802 -9.302 7.100 37 H4* A 4 H4* A 4 0.407 -10.110 6.000 38 H3* A 4 H3* A 4 -1.312 -7.812 5.020 39 1H2* A 4 H2* A 4 0.252 -7.350 3.335 40 2HO* A 4 HO2* A 4 2.350 -8.059 3.384 41 H1* A 4 H1* A 4 0.837 -9.972 2.686 42 H8 A 4 H8 A 4 -2.820 -10.007 2.926 43 1H6 A 4 1H6 A 4 -3.175 -6.941 -2.396 44 2H6 A 4 2H6 A 4 -4.066 -7.869 -1.212 45 H2 A 4 H2 A 4 1.082 -6.755 -0.965 46 1H5* U 5 1H5* U 5 1.710 -3.791 5.977 47 2H5* U 5 2H5* U 5 0.547 -3.445 4.682 48 H4* U 5 H4* U 5 3.396 -4.468 4.416 49 H3* U 5 H3* U 5 2.523 -1.899 4.455 50 1H2* U 5 H2* U 5 0.897 -2.026 2.788 51 2HO* U 5 HO2* U 5 3.233 -1.685 1.179 52 H1* U 5 H1* U 5 2.556 -3.712 0.950 53 H3 U 5 H3 U 5 -1.178 -3.668 -1.578 54 H5 U 5 H5 U 5 -2.572 -4.947 2.187 55 H6 U 5 H6 U 5 -0.340 -4.593 3.064 56 1H5* A 6 1H5* A 6 7.145 -2.634 3.861 57 2H5* A 6 2H5* A 6 7.987 -1.071 3.920 58 H4* A 6 H4* A 6 9.392 -2.370 2.555 59 H3* A 6 H3* A 6 7.423 -0.799 0.868 60 1H2* A 6 H2* A 6 8.397 -1.657 -1.086 61 2HO* A 6 HO2* A 6 10.522 -2.612 0.574 62 H1* A 6 H1* A 6 8.753 -4.237 -0.169 63 H8 A 6 H8 A 6 5.379 -3.595 1.021 64 1H6 A 6 1H6 A 6 2.815 -3.745 -3.067 65 2H6 A 6 2H6 A 6 3.260 -3.730 -4.759 66 H2 A 6 H2 A 6 7.744 -3.467 -4.923 67 1H5* C 7 1H5* C 7 10.339 0.405 -0.980 68 2H5* C 7 2H5* C 7 10.577 2.148 -1.221 69 H4* C 7 H4* C 7 10.213 1.237 -3.397 70 H3* C 7 H3* C 7 7.721 2.509 -2.220 71 1H2* C 7 H2* C 7 6.566 2.073 -4.217 72 2HO* C 7 HO2* C 7 9.130 1.515 -5.355 73 H1* C 7 H1* C 7 7.620 -0.438 -4.662 74 1H4 C 7 1H4 C 7 2.612 -0.983 -0.355 75 2H4 C 7 2H4 C 7 1.897 -1.200 -1.937 76 H5 C 7 H5 C 7 4.922 -0.383 -0.022 77 H6 C 7 H6 C 7 7.044 0.133 -1.133 78 1H5* U 8 1H5* U 8 8.867 4.118 -6.145 79 2H5* U 8 2H5* U 8 8.438 5.829 -6.351 80 H4* U 8 H4* U 8 7.631 4.234 -8.187 81 H3* U 8 H3* U 8 5.789 6.049 -6.598 82 1H2* U 8 H2* U 8 3.966 5.346 -7.903 83 2HO* U 8 HO2* U 8 5.812 4.035 -9.647 84 H1* U 8 H1* U 8 4.648 2.678 -8.020 85 H3 U 8 H3 U 8 0.834 3.147 -5.526 86 H5 U 8 H5 U 8 3.994 4.021 -2.879 87 H6 U 8 H6 U 8 5.507 3.971 -4.772 88 1H5* G 9 1H5* G 9 4.435 6.615 -10.126 89 2H5* G 9 2H5* G 9 4.309 8.323 -10.621 90 H4* G 9 H4* G 9 2.130 7.259 -10.806 91 H3* G 9 H3* G 9 2.460 9.030 -8.359 92 1H2* G 9 H2* G 9 0.191 8.679 -7.834 93 2HO* G 9 HO2* G 9 -0.105 7.417 -10.383 94 H1* G 9 H1* G 9 0.162 5.989 -8.419 95 H8 G 9 H8 G 9 3.367 6.748 -6.630 96 H1 G 9 H1 G 9 -1.628 6.707 -2.673 97 1H2 G 9 1H2 G 9 -3.518 6.658 -3.839 98 2H2 G 9 2H2 G 9 -3.541 6.635 -5.589 99 1H5* C 10 1H5* C 10 -0.995 10.690 -9.722 100 2H5* C 10 2H5* C 10 -0.860 12.462 -9.729 101 H4* C 10 H4* C 10 -2.732 11.681 -8.291 102 H3* C 10 H3* C 10 -0.331 13.031 -7.015 103 1H2* C 10 H2* C 10 -1.375 12.921 -4.916 104 2HO* C 10 HO2* C 10 -3.514 12.820 -4.651 105 H1* C 10 H1* C 10 -2.447 10.394 -5.202 106 1H4 C 10 1H4 C 10 3.880 9.749 -3.357 107 2H4 C 10 2H4 C 10 3.001 9.981 -1.862 108 H5 C 10 H5 C 10 2.858 9.915 -5.528 109 H6 C 10 H6 C 10 0.778 10.356 -6.742 110 1H5* U 11 1H5* U 11 -2.844 14.907 -4.850 111 2H5* U 11 2H5* U 11 -2.524 16.654 -4.853 112 H4* U 11 H4* U 11 -2.261 15.730 -2.584 113 H3* U 11 H3* U 11 0.230 16.665 -4.045 114 1H2* U 11 H2* U 11 1.525 16.207 -2.136 115 2HO* U 11 HO2* U 11 -0.980 16.082 -0.775 116 H1* U 11 H1* U 11 0.292 13.835 -1.462 117 H3 U 11 H3 U 11 4.542 12.856 -2.829 118 H5 U 11 H5 U 11 2.381 13.456 -6.397 119 H6 U 11 H6 U 11 0.505 14.210 -5.059 120 1H5* U 12 1H5* U 12 -1.658 20.663 -1.078 121 2H5* U 12 2H5* U 12 -0.149 21.595 -1.004 122 H4* U 12 H4* U 12 -0.598 21.778 1.210 123 H3* U 12 H3* U 12 1.114 19.696 0.890 124 1H2* U 12 H2* U 12 -0.482 17.995 0.677 125 2HO* U 12 HO2* U 12 -0.622 16.917 2.716 126 H1* U 12 H1* U 12 -2.142 19.057 2.954 127 H3 U 12 H3 U 12 -4.799 15.529 2.064 128 H5 U 12 H5 U 12 -4.411 17.421 -1.683 129 H6 U 12 H6 U 12 -2.823 18.952 -0.671 130 1H5* C 13 1H5* C 13 1.362 18.614 5.240 131 2H5* C 13 2H5* C 13 3.107 18.485 5.532 132 H4* C 13 H4* C 13 1.405 16.345 5.441 133 H3* C 13 H3* C 13 4.075 16.660 5.837 134 1H2* C 13 H2* C 13 4.723 16.864 3.591 135 2HO* C 13 HO2* C 13 5.970 15.151 4.232 136 H1* C 13 H1* C 13 2.946 14.592 2.721 137 1H4 C 13 1H4 C 13 4.946 17.293 -2.721 138 2H4 C 13 2H4 C 13 3.923 18.675 -2.404 139 H5 C 13 H5 C 13 2.670 18.949 -0.366 140 H6 C 13 H6 C 13 2.156 17.980 1.826 141 1H5* G 14 1H5* G 14 4.544 11.389 7.804 142 2H5* G 14 2H5* G 14 4.097 10.442 6.363 143 H4* G 14 H4* G 14 2.444 11.439 8.483 144 H3* G 14 H3* G 14 1.962 10.035 5.836 145 1H2* G 14 H2* G 14 -0.353 10.308 6.127 146 2HO* G 14 HO2* G 14 -0.006 11.388 8.727 147 H1* G 14 H1* G 14 -0.249 12.889 7.088 148 H8 G 14 H8 G 14 -1.790 13.181 4.958 149 H1 G 14 H1 G 14 3.039 11.940 0.988 150 1H2 G 14 1H2 G 14 4.781 11.061 3.876 151 2H2 G 14 2H2 G 14 4.798 11.229 2.135 152 1H5* G 15 1H5* G 15 0.096 7.721 8.408 153 2H5* G 15 2H5* G 15 -0.158 5.967 8.204 154 H4* G 15 H4* G 15 -2.157 7.377 7.632 155 H3* G 15 H3* G 15 -0.755 5.786 5.462 156 1H2* G 15 H2* G 15 -2.381 6.460 3.905 157 2HO* G 15 HO2* G 15 -4.392 6.891 4.470 158 H1* G 15 H1* G 15 -2.589 9.073 4.757 159 H8 G 15 H8 G 15 0.860 7.359 4.536 160 H1 G 15 H1 G 15 -0.847 10.509 -0.735 161 1H2 G 15 1H2 G 15 -2.921 11.281 -0.520 162 2H2 G 15 2H2 G 15 -3.877 11.015 0.921 163 1H5* U 16 1H5* U 16 -4.601 4.906 5.525 164 2H5* U 16 2H5* U 16 -5.243 3.290 5.162 165 H4* U 16 H4* U 16 -6.058 4.997 3.549 166 H3* U 16 H3* U 16 -4.209 2.793 2.588 167 1H2* U 16 H2* U 16 -4.417 3.572 0.379 168 2HO* U 16 HO2* U 16 -6.566 3.971 0.126 169 H1* U 16 H1* U 16 -4.295 6.258 0.977 170 H3 U 16 H3 U 16 -0.422 5.452 -1.200 171 H5 U 16 H5 U 16 0.129 3.574 2.531 172 H6 U 16 H6 U 16 -2.188 4.076 3.052 173 1H5* A 17 1H5* A 17 -7.912 2.152 0.804 174 2H5* A 17 2H5* A 17 -8.392 0.557 0.194 175 H4* A 17 H4* A 17 -7.603 2.456 -1.477 176 H3* A 17 H3* A 17 -7.925 -0.223 -1.768 177 1H2* A 17 H2* A 17 -5.824 -0.888 -0.934 178 2HO* A 17 HO2* A 17 -6.162 -1.180 -3.490 179 H1* A 17 H1* A 17 -4.405 1.240 -2.523 180 H8 A 17 H8 A 17 -4.667 -0.714 0.802 181 1H6 A 17 1H6 A 17 1.322 0.544 1.511 182 2H6 A 17 2H6 A 17 -0.055 -0.296 2.187 183 H2 A 17 H2 A 17 -0.120 2.657 -2.180 184 1H5* A 18 1H5* A 18 -9.507 1.204 -6.664 185 2H5* A 18 2H5* A 18 -9.469 -0.533 -7.033 186 H4* A 18 H4* A 18 -8.482 0.606 -8.910 187 H3* A 18 H3* A 18 -6.482 -0.689 -7.031 188 1H2* A 18 H2* A 18 -4.727 -0.050 -8.461 189 2HO* A 18 HO2* A 18 -6.612 -0.279 -10.359 190 H1* A 18 H1* A 18 -5.661 2.477 -9.015 191 H8 A 18 H8 A 18 -6.255 1.824 -5.377 192 1H6 A 18 1H6 A 18 -0.338 3.151 -4.348 193 2H6 A 18 2H6 A 18 -1.896 2.863 -3.607 194 H2 A 18 H2 A 18 -0.926 2.785 -8.790 195 1H5* G 19 1H5* G 19 -5.341 -2.145 -10.711 196 2H5* G 19 2H5* G 19 -4.561 -3.744 -10.594 197 H4* G 19 H4* G 19 -3.170 -1.654 -11.333 198 H3* G 19 H3* G 19 -2.379 -3.604 -9.148 199 1H2* G 19 H2* G 19 -0.339 -2.471 -8.889 200 2HO* G 19 HO2* G 19 -0.953 -0.997 -11.262 201 H1* G 19 H1* G 19 -1.357 0.084 -9.130 202 H8 G 19 H8 G 19 -3.837 -1.180 -6.874 203 H1 G 19 H1 G 19 1.862 -1.469 -4.026 204 1H2 G 19 1H2 G 19 3.474 -1.241 -5.537 205 2H2 G 19 2H2 G 19 3.141 -1.017 -7.239 206 1H5* U 20 1H5* U 20 0.822 -3.826 -10.630 207 2H5* U 20 2H5* U 20 1.476 -5.431 -11.015 208 H4* U 20 H4* U 20 2.824 -4.286 -9.275 209 H3* U 20 H3* U 20 1.243 -6.765 -8.528 210 1H2* U 20 H2* U 20 2.158 -6.696 -6.366 211 2HO* U 20 HO2* U 20 4.248 -5.574 -7.634 212 H1* U 20 H1* U 20 2.011 -3.965 -6.026 213 H3 U 20 H3 U 20 -0.863 -6.271 -3.224 214 H5 U 20 H5 U 20 -3.003 -5.556 -6.783 215 H6 U 20 H6 U 20 -0.936 -4.801 -7.800 216 1H5* C 21 1H5* C 21 5.193 -7.375 -7.075 217 2H5* C 21 2H5* C 21 5.700 -9.046 -7.401 218 H4* C 21 H4* C 21 5.876 -8.422 -4.982 219 H3* C 21 H3* C 21 3.966 -10.598 -5.885 220 1H2* C 21 H2* C 21 3.392 -11.036 -3.654 221 2HO* C 21 HO2* C 21 5.555 -9.356 -2.834 222 H1* C 21 H1* C 21 3.352 -8.409 -2.792 223 1H4 C 21 1H4 C 21 -2.710 -10.022 -3.936 224 2H4 C 21 2H4 C 21 -2.479 -9.731 -5.645 225 H5 C 21 H5 C 21 -0.343 -9.190 -6.615 226 H6 C 21 H6 C 21 2.032 -8.805 -6.158 227 1H5* C 22 1H5* C 22 6.218 -11.949 -2.621 228 2H5* C 22 2H5* C 22 7.030 -13.484 -2.996 229 H4* C 22 H4* C 22 5.917 -13.613 -0.803 230 H3* C 22 H3* C 22 4.772 -15.235 -3.095 231 1H2* C 22 H2* C 22 3.183 -16.182 -1.655 232 2HO* C 22 HO2* C 22 3.356 -15.797 0.675 233 H1* C 22 H1* C 22 2.629 -13.887 -0.215 234 1H4 C 22 1H4 C 22 -0.897 -13.821 -5.835 235 2H4 C 22 2H4 C 22 -1.992 -14.357 -4.580 236 H5 C 22 H5 C 22 1.447 -13.431 -5.463 237 H6 C 22 H6 C 22 3.247 -13.434 -3.802 238 1H5* C 23 1H5* C 23 5.110 -17.782 0.364 239 2H5* C 23 2H5* C 23 6.239 -19.070 -0.106 240 H4* C 23 H4* C 23 4.390 -20.106 1.053 241 H3* C 23 H3* C 23 4.368 -20.420 -1.965 242 1H2* C 23 H2* C 23 2.442 -21.750 -1.825 243 2HO* C 23 HO2* C 23 3.079 -23.101 -0.112 244 H1* C 23 H1* C 23 1.173 -20.308 0.164 245 1H4 C 23 1H4 C 23 0.080 -17.538 -5.774 246 2H4 C 23 2H4 C 23 -1.392 -18.377 -5.338 247 H5 C 23 H5 C 23 2.070 -17.573 -4.416 248 H6 C 23 H6 C 23 3.094 -18.460 -2.376 249 H3T C 23 H3T C 23 5.088 -22.591 -1.360 Start of MODEL 3 1 1H5* G 1 1H5* G 1 -11.751 -22.035 -5.305 2 2H5* G 1 2H5* G 1 -12.195 -20.533 -4.454 3 H4* G 1 H4* G 1 -10.730 -22.127 -3.148 4 H3* G 1 H3* G 1 -9.751 -19.354 -3.893 5 1H2* G 1 H2* G 1 -7.758 -19.729 -2.715 6 2HO* G 1 HO2* G 1 -8.921 -22.096 -1.616 7 H1* G 1 H1* G 1 -7.402 -22.368 -3.453 8 H8 G 1 H8 G 1 -8.524 -19.652 -5.969 9 H1 G 1 H1 G 1 -2.235 -20.690 -5.831 10 1H2 G 1 1H2 G 1 -1.745 -22.155 -4.235 11 2H2 G 1 2H2 G 1 -2.966 -22.872 -3.209 12 H5T G 1 H5* G 1 -10.692 -19.430 -5.669 13 1H5* G 2 1H5* G 2 -9.912 -19.686 0.838 14 2H5* G 2 2H5* G 2 -10.215 -18.008 1.355 15 H4* G 2 H4* G 2 -8.252 -19.224 2.452 16 H3* G 2 H3* G 2 -7.898 -16.652 0.881 17 1H2* G 2 H2* G 2 -5.624 -16.620 1.464 18 2HO* G 2 HO2* G 2 -6.360 -17.534 3.725 19 H1* G 2 H1* G 2 -5.164 -19.319 1.157 20 H8 G 2 H8 G 2 -7.333 -18.017 -1.643 21 H1 G 2 H1 G 2 -1.170 -16.604 -2.465 22 1H2 G 2 1H2 G 2 -0.034 -17.065 -0.616 23 2H2 G 2 2H2 G 2 -0.794 -17.720 0.816 24 1H5* G 3 1H5* G 3 -6.015 -16.032 4.887 25 2H5* G 3 2H5* G 3 -6.311 -14.329 5.319 26 H4* G 3 H4* G 3 -3.884 -15.179 5.357 27 H3* G 3 H3* G 3 -4.794 -12.810 3.696 28 1H2* G 3 H2* G 3 -2.572 -12.428 3.036 29 2HO* G 3 HO2* G 3 -1.908 -13.072 5.391 30 H1* G 3 H1* G 3 -1.864 -15.075 2.701 31 H8 G 3 H8 G 3 -5.192 -14.833 1.128 32 H1 G 3 H1 G 3 -0.814 -11.759 -2.336 33 1H2 G 3 1H2 G 3 1.195 -12.066 0.498 34 2H2 G 3 2H2 G 3 1.038 -11.485 -1.145 35 1H5* A 4 1H5* A 4 -1.441 -11.584 6.352 36 2H5* A 4 2H5* A 4 -1.691 -9.896 6.841 37 H4* A 4 H4* A 4 0.560 -10.457 5.740 38 H3* A 4 H3* A 4 -1.314 -8.282 4.762 39 1H2* A 4 H2* A 4 0.259 -7.663 3.130 40 2HO* A 4 HO2* A 4 2.088 -7.789 4.610 41 H1* A 4 H1* A 4 1.061 -10.217 2.449 42 H8 A 4 H8 A 4 -2.592 -10.529 2.603 43 1H6 A 4 1H6 A 4 -3.031 -7.437 -2.704 44 2H6 A 4 2H6 A 4 -3.886 -8.437 -1.551 45 H2 A 4 H2 A 4 1.160 -6.958 -1.157 46 1H5* U 5 1H5* U 5 1.573 -4.065 5.713 47 2H5* U 5 2H5* U 5 0.404 -3.942 4.381 48 H4* U 5 H4* U 5 3.348 -4.695 4.179 49 H3* U 5 H3* U 5 2.297 -2.193 4.259 50 1H2* U 5 H2* U 5 0.689 -2.409 2.588 51 2HO* U 5 HO2* U 5 3.044 -1.814 1.081 52 H1* U 5 H1* U 5 2.459 -3.939 0.719 53 H3 U 5 H3 U 5 -1.318 -4.022 -1.767 54 H5 U 5 H5 U 5 -2.510 -5.713 1.905 55 H6 U 5 H6 U 5 -0.314 -5.186 2.787 56 1H5* A 6 1H5* A 6 6.867 -2.699 3.876 57 2H5* A 6 2H5* A 6 7.701 -1.137 4.017 58 H4* A 6 H4* A 6 9.192 -2.391 2.709 59 H3* A 6 H3* A 6 7.293 -0.832 0.932 60 1H2* A 6 H2* A 6 8.392 -1.659 -0.976 61 2HO* A 6 HO2* A 6 10.411 -2.634 0.800 62 H1* A 6 H1* A 6 8.694 -4.245 -0.073 63 H8 A 6 H8 A 6 5.272 -3.591 0.989 64 1H6 A 6 1H6 A 6 3.386 -3.758 -4.873 65 2H6 A 6 2H6 A 6 2.872 -3.767 -3.201 66 H2 A 6 H2 A 6 7.871 -3.494 -4.860 67 1H5* C 7 1H5* C 7 10.250 0.361 -0.865 68 2H5* C 7 2H5* C 7 10.423 2.114 -1.097 69 H4* C 7 H4* C 7 10.153 1.148 -3.278 70 H3* C 7 H3* C 7 7.645 2.450 -2.176 71 1H2* C 7 H2* C 7 6.524 1.996 -4.187 72 2HO* C 7 HO2* C 7 8.661 2.560 -5.379 73 H1* C 7 H1* C 7 7.572 -0.528 -4.585 74 1H4 C 7 1H4 C 7 2.473 -0.960 -0.366 75 2H4 C 7 2H4 C 7 1.787 -1.199 -1.958 76 H5 C 7 H5 C 7 4.782 -0.380 0.002 77 H6 C 7 H6 C 7 6.930 0.096 -1.072 78 1H5* U 8 1H5* U 8 8.916 4.176 -6.021 79 2H5* U 8 2H5* U 8 8.425 5.870 -6.230 80 H4* U 8 H4* U 8 7.698 4.206 -8.060 81 H3* U 8 H3* U 8 5.814 6.045 -6.557 82 1H2* U 8 H2* U 8 4.021 5.297 -7.875 83 2HO* U 8 HO2* U 8 4.921 3.612 -9.632 84 H1* U 8 H1* U 8 4.739 2.632 -7.947 85 H3 U 8 H3 U 8 0.817 3.182 -5.610 86 H5 U 8 H5 U 8 3.893 3.977 -2.843 87 H6 U 8 H6 U 8 5.477 3.900 -4.677 88 1H5* G 9 1H5* G 9 4.467 6.565 -10.145 89 2H5* G 9 2H5* G 9 4.338 8.284 -10.599 90 H4* G 9 H4* G 9 2.166 7.188 -10.808 91 H3* G 9 H3* G 9 2.475 8.971 -8.365 92 1H2* G 9 H2* G 9 0.188 8.639 -7.895 93 2HO* G 9 HO2* G 9 -1.156 7.482 -9.420 94 H1* G 9 H1* G 9 0.189 5.941 -8.419 95 H8 G 9 H8 G 9 3.376 6.763 -6.623 96 H1 G 9 H1 G 9 -1.650 6.793 -2.703 97 1H2 G 9 1H2 G 9 -3.531 6.685 -3.882 98 2H2 G 9 2H2 G 9 -3.539 6.605 -5.629 99 1H5* C 10 1H5* C 10 -0.922 10.658 -9.747 100 2H5* C 10 2H5* C 10 -0.771 12.428 -9.750 101 H4* C 10 H4* C 10 -2.654 11.641 -8.322 102 H3* C 10 H3* C 10 -0.274 13.024 -7.044 103 1H2* C 10 H2* C 10 -1.341 12.921 -4.953 104 2HO* C 10 HO2* C 10 -3.496 12.726 -4.708 105 H1* C 10 H1* C 10 -2.406 10.387 -5.234 106 1H4 C 10 1H4 C 10 3.871 9.711 -3.240 107 2H4 C 10 2H4 C 10 2.959 9.961 -1.768 108 H5 C 10 H5 C 10 2.900 9.872 -5.437 109 H6 C 10 H6 C 10 0.854 10.326 -6.702 110 1H5* U 11 1H5* U 11 -2.870 14.968 -4.919 111 2H5* U 11 2H5* U 11 -2.488 16.703 -4.935 112 H4* U 11 H4* U 11 -2.285 15.743 -2.659 113 H3* U 11 H3* U 11 0.216 16.706 -4.081 114 1H2* U 11 H2* U 11 1.494 16.223 -2.172 115 2HO* U 11 HO2* U 11 -1.014 16.080 -0.816 116 H1* U 11 H1* U 11 0.221 13.864 -1.498 117 H3 U 11 H3 U 11 4.506 12.835 -2.699 118 H5 U 11 H5 U 11 2.449 13.321 -6.344 119 H6 U 11 H6 U 11 0.546 14.147 -5.087 120 1H5* U 12 1H5* U 12 -1.753 20.647 -1.146 121 2H5* U 12 2H5* U 12 -0.303 21.669 -1.149 122 H4* U 12 H4* U 12 -0.642 21.866 1.083 123 H3* U 12 H3* U 12 1.105 19.806 0.754 124 1H2* U 12 H2* U 12 -0.444 18.061 0.632 125 2HO* U 12 HO2* U 12 -0.017 16.921 2.381 126 H1* U 12 H1* U 12 -2.096 19.118 2.908 127 H3 U 12 H3 U 12 -4.685 15.527 2.060 128 H5 U 12 H5 U 12 -4.320 17.370 -1.711 129 H6 U 12 H6 U 12 -2.787 18.963 -0.715 130 1H5* C 13 1H5* C 13 0.955 18.504 4.883 131 2H5* C 13 2H5* C 13 2.615 18.506 5.511 132 H4* C 13 H4* C 13 1.208 16.245 5.315 133 H3* C 13 H3* C 13 3.835 16.752 5.784 134 1H2* C 13 H2* C 13 4.534 16.966 3.540 135 2HO* C 13 HO2* C 13 5.690 15.109 3.066 136 H1* C 13 H1* C 13 2.958 14.539 2.697 137 1H4 C 13 1H4 C 13 4.781 17.140 -2.835 138 2H4 C 13 2H4 C 13 3.688 18.479 -2.567 139 H5 C 13 H5 C 13 2.475 18.799 -0.507 140 H6 C 13 H6 C 13 2.004 17.874 1.709 141 1H5* G 14 1H5* G 14 4.470 11.442 7.738 142 2H5* G 14 2H5* G 14 4.065 10.554 6.248 143 H4* G 14 H4* G 14 2.345 11.635 8.320 144 H3* G 14 H3* G 14 1.933 10.117 5.720 145 1H2* G 14 H2* G 14 -0.400 10.402 5.983 146 2HO* G 14 HO2* G 14 -1.328 10.679 7.884 147 H1* G 14 H1* G 14 -0.271 13.031 6.800 148 H8 G 14 H8 G 14 -1.840 13.075 4.639 149 H1 G 14 H1 G 14 3.124 11.987 0.791 150 1H2 G 14 1H2 G 14 4.914 11.445 1.993 151 2H2 G 14 2H2 G 14 4.877 11.350 3.740 152 1H5* G 15 1H5* G 15 0.103 7.833 8.404 153 2H5* G 15 2H5* G 15 -0.148 6.081 8.195 154 H4* G 15 H4* G 15 -2.142 7.496 7.622 155 H3* G 15 H3* G 15 -0.742 5.905 5.455 156 1H2* G 15 H2* G 15 -2.378 6.568 3.904 157 2HO* G 15 HO2* G 15 -3.876 7.386 6.195 158 H1* G 15 H1* G 15 -2.574 9.190 4.742 159 H8 G 15 H8 G 15 0.878 7.480 4.525 160 H1 G 15 H1 G 15 -0.868 10.527 -0.798 161 1H2 G 15 1H2 G 15 -2.941 11.289 -0.594 162 2H2 G 15 2H2 G 15 -3.894 11.049 0.854 163 1H5* U 16 1H5* U 16 -4.578 4.993 5.517 164 2H5* U 16 2H5* U 16 -5.176 3.364 5.140 165 H4* U 16 H4* U 16 -5.984 5.109 3.531 166 H3* U 16 H3* U 16 -4.199 2.842 2.602 167 1H2* U 16 H2* U 16 -4.386 3.579 0.385 168 2HO* U 16 HO2* U 16 -6.612 3.978 0.281 169 H1* U 16 H1* U 16 -4.221 6.280 0.930 170 H3 U 16 H3 U 16 -0.374 5.400 -1.267 171 H5 U 16 H5 U 16 0.147 3.489 2.451 172 H6 U 16 H6 U 16 -2.152 4.048 2.990 173 1H5* A 17 1H5* A 17 -8.024 2.132 0.815 174 2H5* A 17 2H5* A 17 -8.307 0.505 0.164 175 H4* A 17 H4* A 17 -7.700 2.592 -1.415 176 H3* A 17 H3* A 17 -7.929 -0.083 -1.815 177 1H2* A 17 H2* A 17 -5.799 -0.740 -1.146 178 2HO* A 17 HO2* A 17 -4.443 -0.533 -3.282 179 H1* A 17 H1* A 17 -4.405 1.526 -2.535 180 H8 A 17 H8 A 17 -4.858 -0.469 0.752 181 1H6 A 17 1H6 A 17 1.145 0.443 1.677 182 2H6 A 17 2H6 A 17 -0.307 -0.317 2.289 183 H2 A 17 H2 A 17 -0.029 2.611 -2.092 184 1H5* A 18 1H5* A 18 -9.515 1.332 -6.709 185 2H5* A 18 2H5* A 18 -9.508 -0.413 -7.047 186 H4* A 18 H4* A 18 -8.479 0.674 -8.934 187 H3* A 18 H3* A 18 -6.535 -0.634 -7.005 188 1H2* A 18 H2* A 18 -4.742 -0.059 -8.414 189 2HO* A 18 HO2* A 18 -6.425 -0.454 -10.348 190 H1* A 18 H1* A 18 -5.609 2.479 -9.022 191 H8 A 18 H8 A 18 -6.275 1.808 -5.384 192 1H6 A 18 1H6 A 18 -0.379 3.169 -4.260 193 2H6 A 18 2H6 A 18 -1.944 2.865 -3.541 194 H2 A 18 H2 A 18 -0.909 2.842 -8.712 195 1H5* G 19 1H5* G 19 -5.402 -1.884 -10.656 196 2H5* G 19 2H5* G 19 -4.698 -3.522 -10.712 197 H4* G 19 H4* G 19 -3.207 -1.502 -11.348 198 H3* G 19 H3* G 19 -2.490 -3.551 -9.231 199 1H2* G 19 H2* G 19 -0.406 -2.514 -8.929 200 2HO* G 19 HO2* G 19 -0.943 -0.949 -11.263 201 H1* G 19 H1* G 19 -1.307 0.093 -9.106 202 H8 G 19 H8 G 19 -3.838 -1.188 -6.892 203 H1 G 19 H1 G 19 1.839 -1.600 -4.022 204 1H2 G 19 1H2 G 19 3.462 -1.354 -5.517 205 2H2 G 19 2H2 G 19 3.143 -1.087 -7.216 206 1H5* U 20 1H5* U 20 0.800 -3.764 -10.775 207 2H5* U 20 2H5* U 20 1.357 -5.400 -11.187 208 H4* U 20 H4* U 20 2.800 -4.330 -9.468 209 H3* U 20 H3* U 20 1.135 -6.753 -8.724 210 1H2* U 20 H2* U 20 2.091 -6.754 -6.578 211 2HO* U 20 HO2* U 20 4.208 -5.743 -7.875 212 H1* U 20 H1* U 20 2.089 -4.018 -6.207 213 H3 U 20 H3 U 20 -0.836 -6.059 -3.294 214 H5 U 20 H5 U 20 -2.988 -5.522 -6.878 215 H6 U 20 H6 U 20 -0.916 -4.856 -7.948 216 1H5* C 21 1H5* C 21 5.009 -7.375 -7.265 217 2H5* C 21 2H5* C 21 5.614 -8.977 -7.742 218 H4* C 21 H4* C 21 5.863 -8.611 -5.305 219 H3* C 21 H3* C 21 3.879 -10.684 -6.295 220 1H2* C 21 H2* C 21 3.384 -11.289 -4.081 221 2HO* C 21 HO2* C 21 4.738 -10.266 -2.343 222 H1* C 21 H1* C 21 3.425 -8.738 -3.013 223 1H4 C 21 1H4 C 21 -2.523 -9.783 -5.749 224 2H4 C 21 2H4 C 21 -2.704 -10.167 -4.051 225 H5 C 21 H5 C 21 -0.411 -9.213 -6.756 226 H6 C 21 H6 C 21 1.982 -8.886 -6.356 227 1H5* C 22 1H5* C 22 6.265 -12.286 -3.149 228 2H5* C 22 2H5* C 22 7.021 -13.797 -3.696 229 H4* C 22 H4* C 22 6.020 -14.075 -1.457 230 H3* C 22 H3* C 22 4.764 -15.515 -3.812 231 1H2* C 22 H2* C 22 3.222 -16.550 -2.374 232 2HO* C 22 HO2* C 22 5.224 -16.496 -0.655 233 H1* C 22 H1* C 22 2.760 -14.368 -0.739 234 1H4 C 22 1H4 C 22 -1.014 -13.828 -6.170 235 2H4 C 22 2H4 C 22 -2.061 -14.427 -4.903 236 H5 C 22 H5 C 22 1.354 -13.494 -5.876 237 H6 C 22 H6 C 22 3.228 -13.664 -4.309 238 1H5* C 23 1H5* C 23 5.178 -18.438 -0.586 239 2H5* C 23 2H5* C 23 6.303 -19.638 -1.258 240 H4* C 23 H4* C 23 4.483 -20.831 -0.201 241 H3* C 23 H3* C 23 4.403 -20.753 -3.234 242 1H2* C 23 H2* C 23 2.494 -22.118 -3.226 243 2HO* C 23 HO2* C 23 3.240 -23.638 -1.671 244 H1* C 23 H1* C 23 1.251 -20.948 -1.051 245 1H4 C 23 1H4 C 23 0.039 -17.471 -6.582 246 2H4 C 23 2H4 C 23 -1.406 -18.402 -6.259 247 H5 C 23 H5 C 23 2.038 -17.632 -5.251 248 H6 C 23 H6 C 23 3.097 -18.738 -3.341 249 H3T C 23 H3T C 23 5.154 -22.977 -2.931 Start of MODEL 4 1 1H5* G 1 1H5* G 1 -14.691 -16.074 -6.768 2 2H5* G 1 2H5* G 1 -15.050 -14.808 -5.565 3 H4* G 1 H4* G 1 -14.092 -16.903 -4.583 4 H3* G 1 H3* G 1 -12.482 -14.334 -4.488 5 1H2* G 1 H2* G 1 -10.814 -15.416 -3.240 6 2HO* G 1 HO2* G 1 -11.161 -17.538 -2.378 7 H1* G 1 H1* G 1 -10.821 -17.777 -4.653 8 H8 G 1 H8 G 1 -11.085 -15.154 -7.248 9 H1 G 1 H1 G 1 -5.276 -15.184 -4.621 10 1H2 G 1 1H2 G 1 -5.280 -16.428 -2.785 11 2H2 G 1 2H2 G 1 -6.713 -17.251 -2.209 12 H5T G 1 H5* G 1 -13.295 -13.676 -6.233 13 1H5* G 2 1H5* G 2 -12.950 -15.134 0.059 14 2H5* G 2 2H5* G 2 -12.947 -13.468 0.692 15 H4* G 2 H4* G 2 -11.130 -15.125 1.514 16 H3* G 2 H3* G 2 -10.485 -12.424 0.271 17 1H2* G 2 H2* G 2 -8.221 -12.787 0.838 18 2HO* G 2 HO2* G 2 -8.850 -13.766 2.964 19 H1* G 2 H1* G 2 -8.160 -15.423 0.060 20 H8 G 2 H8 G 2 -10.151 -13.675 -2.544 21 H1 G 2 H1 G 2 -3.964 -12.201 -2.968 22 1H2 G 2 1H2 G 2 -3.711 -13.698 0.170 23 2H2 G 2 2H2 G 2 -2.897 -12.880 -1.144 24 1H5* G 3 1H5* G 3 -8.677 -12.493 4.360 25 2H5* G 3 2H5* G 3 -8.448 -10.808 4.896 26 H4* G 3 H4* G 3 -6.393 -12.427 4.659 27 H3* G 3 H3* G 3 -6.564 -9.628 3.484 28 1H2* G 3 H2* G 3 -4.310 -9.829 2.823 29 2HO* G 3 HO2* G 3 -2.965 -11.471 3.578 30 H1* G 3 H1* G 3 -4.503 -12.427 1.930 31 H8 G 3 H8 G 3 -7.585 -10.936 0.617 32 H1 G 3 H1 G 3 -2.486 -8.466 -2.304 33 1H2 G 3 1H2 G 3 -0.677 -9.929 0.294 34 2H2 G 3 2H2 G 3 -0.644 -8.979 -1.174 35 1H5* A 4 1H5* A 4 -3.136 -10.200 6.105 36 2H5* A 4 2H5* A 4 -2.562 -8.706 6.875 37 H4* A 4 H4* A 4 -0.874 -10.096 5.460 38 H3* A 4 H3* A 4 -1.368 -7.115 5.210 39 1H2* A 4 H2* A 4 0.326 -6.967 3.591 40 2HO* A 4 HO2* A 4 1.081 -9.632 4.307 41 H1* A 4 H1* A 4 -0.266 -9.319 2.269 42 H8 A 4 H8 A 4 -3.553 -7.729 2.836 43 1H6 A 4 1H6 A 4 -2.323 -3.768 -1.713 44 2H6 A 4 2H6 A 4 -3.566 -4.395 -0.654 45 H2 A 4 H2 A 4 1.483 -5.923 -0.679 46 1H5* U 5 1H5* U 5 3.604 -5.644 6.605 47 2H5* U 5 2H5* U 5 2.605 -4.502 5.684 48 H4* U 5 H4* U 5 4.637 -6.491 4.623 49 H3* U 5 H3* U 5 5.015 -3.903 5.337 50 1H2* U 5 H2* U 5 3.325 -2.907 4.067 51 2HO* U 5 HO2* U 5 4.281 -2.054 2.154 52 H1* U 5 H1* U 5 3.838 -4.566 1.626 53 H3 U 5 H3 U 5 0.259 -2.276 0.082 54 H5 U 5 H5 U 5 -1.165 -4.083 3.613 55 H6 U 5 H6 U 5 1.089 -4.863 4.047 56 1H5* A 6 1H5* A 6 9.683 -2.668 4.364 57 2H5* A 6 2H5* A 6 8.940 -1.130 3.884 58 H4* A 6 H4* A 6 10.792 -2.149 2.355 59 H3* A 6 H3* A 6 8.081 -1.138 1.446 60 1H2* A 6 H2* A 6 8.658 -1.576 -0.785 61 2HO* A 6 HO2* A 6 10.954 -2.319 -1.173 62 H1* A 6 H1* A 6 9.961 -3.971 -0.329 63 H8 A 6 H8 A 6 7.014 -4.475 1.716 64 1H6 A 6 1H6 A 6 3.588 -5.212 -1.600 65 2H6 A 6 2H6 A 6 3.518 -4.947 -3.327 66 H2 A 6 H2 A 6 7.496 -3.245 -4.545 67 1H5* C 7 1H5* C 7 10.561 0.312 -1.171 68 2H5* C 7 2H5* C 7 10.524 2.078 -1.351 69 H4* C 7 H4* C 7 10.321 1.073 -3.550 70 H3* C 7 H3* C 7 7.751 2.230 -2.417 71 1H2* C 7 H2* C 7 6.696 1.785 -4.476 72 2HO* C 7 HO2* C 7 7.916 1.122 -6.319 73 H1* C 7 H1* C 7 7.836 -0.695 -4.863 74 1H4 C 7 1H4 C 7 2.659 -1.246 -0.746 75 2H4 C 7 2H4 C 7 2.053 -1.633 -2.340 76 H5 C 7 H5 C 7 4.918 -0.511 -0.335 77 H6 C 7 H6 C 7 7.072 0.034 -1.367 78 1H5* U 8 1H5* U 8 8.842 3.834 -6.159 79 2H5* U 8 2H5* U 8 8.492 5.551 -6.440 80 H4* U 8 H4* U 8 7.631 3.971 -8.232 81 H3* U 8 H3* U 8 5.782 5.789 -6.654 82 1H2* U 8 H2* U 8 3.980 5.093 -7.995 83 2HO* U 8 HO2* U 8 5.887 3.816 -9.703 84 H1* U 8 H1* U 8 4.664 2.424 -8.087 85 H3 U 8 H3 U 8 0.781 3.036 -5.697 86 H5 U 8 H5 U 8 3.909 3.719 -2.959 87 H6 U 8 H6 U 8 5.467 3.632 -4.814 88 1H5* G 9 1H5* G 9 4.376 6.516 -10.213 89 2H5* G 9 2H5* G 9 4.285 8.260 -10.569 90 H4* G 9 H4* G 9 2.087 7.200 -10.809 91 H3* G 9 H3* G 9 2.459 8.918 -8.331 92 1H2* G 9 H2* G 9 0.181 8.611 -7.819 93 2HO* G 9 HO2* G 9 -0.474 8.864 -10.110 94 H1* G 9 H1* G 9 0.095 5.931 -8.452 95 H8 G 9 H8 G 9 3.307 6.559 -6.641 96 H1 G 9 H1 G 9 -1.703 6.668 -2.701 97 1H2 G 9 1H2 G 9 -3.588 6.689 -3.874 98 2H2 G 9 2H2 G 9 -3.607 6.678 -5.623 99 1H5* C 10 1H5* C 10 -0.954 10.775 -9.646 100 2H5* C 10 2H5* C 10 -0.690 12.530 -9.613 101 H4* C 10 H4* C 10 -2.610 11.827 -8.190 102 H3* C 10 H3* C 10 -0.148 13.054 -6.911 103 1H2* C 10 H2* C 10 -1.200 12.984 -4.814 104 2HO* C 10 HO2* C 10 -3.367 12.899 -4.549 105 H1* C 10 H1* C 10 -2.418 10.523 -5.121 106 1H4 C 10 1H4 C 10 3.811 9.451 -3.159 107 2H4 C 10 2H4 C 10 2.926 9.765 -1.682 108 H5 C 10 H5 C 10 2.839 9.672 -5.350 109 H6 C 10 H6 C 10 0.816 10.254 -6.603 110 1H5* U 11 1H5* U 11 -2.627 15.093 -4.720 111 2H5* U 11 2H5* U 11 -2.168 16.808 -4.752 112 H4* U 11 H4* U 11 -1.986 15.869 -2.468 113 H3* U 11 H3* U 11 0.542 16.687 -3.931 114 1H2* U 11 H2* U 11 1.822 16.161 -2.035 115 2HO* U 11 HO2* U 11 -0.661 16.095 -0.619 116 H1* U 11 H1* U 11 0.440 13.876 -1.313 117 H3 U 11 H3 U 11 4.664 12.653 -2.580 118 H5 U 11 H5 U 11 2.546 13.168 -6.187 119 H6 U 11 H6 U 11 0.707 14.089 -4.902 120 1H5* U 12 1H5* U 12 -1.229 20.789 -0.901 121 2H5* U 12 2H5* U 12 0.351 21.596 -0.858 122 H4* U 12 H4* U 12 -0.108 21.820 1.363 123 H3* U 12 H3* U 12 1.579 19.724 1.002 124 1H2* U 12 H2* U 12 -0.034 18.037 0.833 125 2HO* U 12 HO2* U 12 -0.310 17.237 3.178 126 H1* U 12 H1* U 12 -1.619 19.113 3.154 127 H3 U 12 H3 U 12 -4.379 15.643 2.361 128 H5 U 12 H5 U 12 -3.982 17.448 -1.426 129 H6 U 12 H6 U 12 -2.354 18.965 -0.461 130 1H5* C 13 1H5* C 13 1.409 18.426 5.147 131 2H5* C 13 2H5* C 13 3.082 18.350 5.733 132 H4* C 13 H4* C 13 1.558 16.160 5.546 133 H3* C 13 H3* C 13 4.211 16.539 5.987 134 1H2* C 13 H2* C 13 4.898 16.723 3.738 135 2HO* C 13 HO2* C 13 6.161 15.037 4.475 136 H1* C 13 H1* C 13 3.190 14.387 2.905 137 1H4 C 13 1H4 C 13 5.145 16.936 -2.608 138 2H4 C 13 2H4 C 13 4.133 18.334 -2.323 139 H5 C 13 H5 C 13 2.917 18.686 -0.274 140 H6 C 13 H6 C 13 2.400 17.769 1.938 141 1H5* G 14 1H5* G 14 4.467 11.317 8.066 142 2H5* G 14 2H5* G 14 4.125 10.339 6.616 143 H4* G 14 H4* G 14 2.322 11.467 8.535 144 H3* G 14 H3* G 14 1.980 10.029 5.878 145 1H2* G 14 H2* G 14 -0.350 10.351 6.090 146 2HO* G 14 HO2* G 14 -1.314 10.550 7.982 147 H1* G 14 H1* G 14 -0.178 12.949 6.985 148 H8 G 14 H8 G 14 -1.690 13.170 4.845 149 H1 G 14 H1 G 14 3.166 11.831 0.945 150 1H2 G 14 1H2 G 14 4.902 11.036 3.862 151 2H2 G 14 2H2 G 14 4.924 11.157 2.117 152 1H5* G 15 1H5* G 15 0.002 7.778 8.458 153 2H5* G 15 2H5* G 15 -0.276 6.029 8.248 154 H4* G 15 H4* G 15 -2.255 7.468 7.683 155 H3* G 15 H3* G 15 -0.868 5.872 5.507 156 1H2* G 15 H2* G 15 -2.490 6.574 3.954 157 2HO* G 15 HO2* G 15 -4.197 6.349 5.769 158 H1* G 15 H1* G 15 -2.638 9.191 4.796 159 H8 G 15 H8 G 15 0.771 7.392 4.620 160 H1 G 15 H1 G 15 -0.778 10.587 -0.675 161 1H2 G 15 1H2 G 15 -2.830 11.408 -0.492 162 2H2 G 15 2H2 G 15 -3.817 11.167 0.932 163 1H5* U 16 1H5* U 16 -4.846 4.689 5.634 164 2H5* U 16 2H5* U 16 -5.256 3.066 5.038 165 H4* U 16 H4* U 16 -6.128 5.027 3.635 166 H3* U 16 H3* U 16 -4.379 2.798 2.547 167 1H2* U 16 H2* U 16 -4.505 3.717 0.393 168 2HO* U 16 HO2* U 16 -6.646 5.329 1.395 169 H1* U 16 H1* U 16 -4.337 6.378 1.144 170 H3 U 16 H3 U 16 -0.491 5.561 -1.126 171 H5 U 16 H5 U 16 0.078 3.649 2.582 172 H6 U 16 H6 U 16 -2.237 4.138 3.117 173 1H5* A 17 1H5* A 17 -8.228 2.152 0.739 174 2H5* A 17 2H5* A 17 -8.518 0.521 0.102 175 H4* A 17 H4* A 17 -7.855 2.555 -1.500 176 H3* A 17 H3* A 17 -8.019 -0.131 -1.854 177 1H2* A 17 H2* A 17 -5.897 -0.728 -1.088 178 2HO* A 17 HO2* A 17 -4.480 -0.544 -3.185 179 H1* A 17 H1* A 17 -4.524 1.547 -2.494 180 H8 A 17 H8 A 17 -5.008 -0.292 0.890 181 1H6 A 17 1H6 A 17 1.044 0.482 1.695 182 2H6 A 17 2H6 A 17 -0.416 -0.213 2.363 183 H2 A 17 H2 A 17 -0.120 2.498 -2.152 184 1H5* A 18 1H5* A 18 -9.509 1.280 -6.779 185 2H5* A 18 2H5* A 18 -9.512 -0.462 -7.121 186 H4* A 18 H4* A 18 -8.419 0.590 -8.979 187 H3* A 18 H3* A 18 -6.502 -0.651 -6.980 188 1H2* A 18 H2* A 18 -4.695 -0.092 -8.378 189 2HO* A 18 HO2* A 18 -6.287 -0.575 -10.331 190 H1* A 18 H1* A 18 -5.580 2.425 -9.037 191 H8 A 18 H8 A 18 -6.277 1.776 -5.392 192 1H6 A 18 1H6 A 18 -0.415 3.249 -4.232 193 2H6 A 18 2H6 A 18 -1.977 2.908 -3.521 194 H2 A 18 H2 A 18 -0.906 2.906 -8.686 195 1H5* G 19 1H5* G 19 -5.262 -2.088 -10.637 196 2H5* G 19 2H5* G 19 -4.490 -3.690 -10.524 197 H4* G 19 H4* G 19 -3.077 -1.656 -11.301 198 H3* G 19 H3* G 19 -2.310 -3.507 -9.025 199 1H2* G 19 H2* G 19 -0.274 -2.362 -8.786 200 2HO* G 19 HO2* G 19 -0.009 -2.244 -11.190 201 H1* G 19 H1* G 19 -1.282 0.181 -9.173 202 H8 G 19 H8 G 19 -3.744 -1.320 -6.901 203 H1 G 19 H1 G 19 1.827 -0.452 -3.923 204 1H2 G 19 1H2 G 19 3.421 -0.026 -5.407 205 2H2 G 19 2H2 G 19 3.108 0.046 -7.127 206 1H5* U 20 1H5* U 20 1.078 -3.736 -10.860 207 2H5* U 20 2H5* U 20 1.685 -5.395 -11.033 208 H4* U 20 H4* U 20 3.205 -4.040 -9.639 209 H3* U 20 H3* U 20 1.632 -6.274 -8.323 210 1H2* U 20 H2* U 20 2.723 -5.858 -6.288 211 2HO* U 20 HO2* U 20 4.561 -4.279 -7.809 212 H1* U 20 H1* U 20 2.732 -3.097 -6.465 213 H3 U 20 H3 U 20 -0.019 -4.116 -2.989 214 H5 U 20 H5 U 20 -2.273 -5.087 -6.413 215 H6 U 20 H6 U 20 -0.304 -4.649 -7.758 216 1H5* C 21 1H5* C 21 5.266 -7.277 -6.925 217 2H5* C 21 2H5* C 21 5.620 -8.983 -7.267 218 H4* C 21 H4* C 21 5.748 -8.579 -4.855 219 H3* C 21 H3* C 21 3.385 -10.185 -5.875 220 1H2* C 21 H2* C 21 2.654 -10.524 -3.671 221 2HO* C 21 HO2* C 21 5.158 -9.468 -2.777 222 H1* C 21 H1* C 21 3.220 -7.987 -2.736 223 1H4 C 21 1H4 C 21 -2.998 -8.055 -4.152 224 2H4 C 21 2H4 C 21 -2.637 -7.927 -5.860 225 H5 C 21 H5 C 21 -0.397 -7.962 -6.740 226 H6 C 21 H6 C 21 1.982 -8.131 -6.178 227 1H5* C 22 1H5* C 22 5.028 -12.599 -2.690 228 2H5* C 22 2H5* C 22 5.402 -14.179 -3.406 229 H4* C 22 H4* C 22 4.155 -14.458 -1.300 230 H3* C 22 H3* C 22 2.749 -15.149 -3.898 231 1H2* C 22 H2* C 22 0.874 -15.889 -2.700 232 2HO* C 22 HO2* C 22 2.617 -16.703 -0.942 233 H1* C 22 H1* C 22 0.898 -13.903 -0.778 234 1H4 C 22 1H4 C 22 -2.181 -11.513 -6.130 235 2H4 C 22 2H4 C 22 -3.436 -12.264 -5.170 236 H5 C 22 H5 C 22 0.161 -11.650 -5.579 237 H6 C 22 H6 C 22 1.804 -12.525 -3.986 238 1H5* C 23 1H5* C 23 1.893 -18.589 -1.225 239 2H5* C 23 2H5* C 23 2.591 -19.932 -2.152 240 H4* C 23 H4* C 23 0.385 -20.609 -1.450 241 H3* C 23 H3* C 23 0.599 -19.793 -4.365 242 1H2* C 23 H2* C 23 -1.655 -20.343 -4.696 243 2HO* C 23 HO2* C 23 -1.627 -21.606 -2.127 244 H1* C 23 H1* C 23 -2.601 -19.373 -2.282 245 1H4 C 23 1H4 C 23 -2.123 -14.420 -6.680 246 2H4 C 23 2H4 C 23 -3.813 -14.874 -6.635 247 H5 C 23 H5 C 23 -0.417 -15.564 -5.424 248 H6 C 23 H6 C 23 0.051 -17.421 -3.898 249 H3T C 23 H3T C 23 0.508 -22.143 -4.630 Start of MODEL 5 1 1H5* G 1 1H5* G 1 -14.765 -16.827 -6.587 2 2H5* G 1 2H5* G 1 -15.260 -15.476 -5.533 3 H4* G 1 H4* G 1 -14.196 -17.361 -4.293 4 H3* G 1 H3* G 1 -12.733 -14.710 -4.477 5 1H2* G 1 H2* G 1 -11.032 -15.541 -3.087 6 2HO* G 1 HO2* G 1 -11.272 -17.534 -1.959 7 H1* G 1 H1* G 1 -10.878 -18.048 -4.208 8 H8 G 1 H8 G 1 -11.292 -15.597 -7.000 9 H1 G 1 H1 G 1 -5.395 -15.448 -4.580 10 1H2 G 1 1H2 G 1 -5.322 -16.604 -2.688 11 2H2 G 1 2H2 G 1 -6.724 -17.413 -2.025 12 H5T G 1 H5* G 1 -13.305 -15.597 -7.514 13 1H5* G 2 1H5* G 2 -13.318 -15.115 0.137 14 2H5* G 2 2H5* G 2 -13.226 -13.412 0.656 15 H4* G 2 H4* G 2 -11.489 -15.139 1.561 16 H3* G 2 H3* G 2 -10.741 -12.502 0.242 17 1H2* G 2 H2* G 2 -8.496 -12.926 0.842 18 2HO* G 2 HO2* G 2 -9.279 -13.886 2.984 19 H1* G 2 H1* G 2 -8.525 -15.583 0.136 20 H8 G 2 H8 G 2 -10.448 -13.734 -2.483 21 H1 G 2 H1 G 2 -4.173 -12.742 -3.003 22 1H2 G 2 1H2 G 2 -3.135 -13.499 -1.192 23 2H2 G 2 2H2 G 2 -3.990 -14.249 0.137 24 1H5* G 3 1H5* G 3 -8.893 -12.629 4.349 25 2H5* G 3 2H5* G 3 -8.596 -10.943 4.844 26 H4* G 3 H4* G 3 -6.612 -12.650 4.690 27 H3* G 3 H3* G 3 -6.654 -9.883 3.443 28 1H2* G 3 H2* G 3 -4.420 -10.180 2.769 29 2HO* G 3 HO2* G 3 -4.173 -11.529 4.981 30 H1* G 3 H1* G 3 -4.682 -12.812 1.984 31 H8 G 3 H8 G 3 -7.705 -11.105 0.681 32 H1 G 3 H1 G 3 -2.494 -9.420 -2.582 33 1H2 G 3 1H2 G 3 -0.746 -10.927 0.032 34 2H2 G 3 2H2 G 3 -0.673 -10.074 -1.493 35 1H5* A 4 1H5* A 4 -3.291 -10.413 6.127 36 2H5* A 4 2H5* A 4 -2.716 -8.907 6.870 37 H4* A 4 H4* A 4 -1.033 -10.309 5.467 38 H3* A 4 H3* A 4 -1.549 -7.336 5.169 39 1H2* A 4 H2* A 4 0.125 -7.207 3.529 40 2HO* A 4 HO2* A 4 1.680 -8.782 3.245 41 H1* A 4 H1* A 4 -0.461 -9.588 2.254 42 H8 A 4 H8 A 4 -3.784 -8.122 2.735 43 1H6 A 4 1H6 A 4 -2.585 -4.008 -1.685 44 2H6 A 4 2H6 A 4 -3.832 -4.715 -0.683 45 H2 A 4 H2 A 4 1.279 -6.006 -0.559 46 1H5* U 5 1H5* U 5 3.253 -5.620 6.614 47 2H5* U 5 2H5* U 5 2.236 -4.552 5.623 48 H4* U 5 H4* U 5 4.366 -6.503 4.671 49 H3* U 5 H3* U 5 4.690 -3.912 5.397 50 1H2* U 5 H2* U 5 3.045 -2.926 4.061 51 2HO* U 5 HO2* U 5 5.167 -2.116 3.392 52 H1* U 5 H1* U 5 3.666 -4.582 1.644 53 H3 U 5 H3 U 5 0.146 -2.170 0.079 54 H5 U 5 H5 U 5 -1.448 -4.367 3.302 55 H6 U 5 H6 U 5 0.803 -5.098 3.834 56 1H5* A 6 1H5* A 6 9.363 -2.603 4.575 57 2H5* A 6 2H5* A 6 8.615 -1.089 4.024 58 H4* A 6 H4* A 6 10.561 -2.118 2.613 59 H3* A 6 H3* A 6 7.890 -1.146 1.554 60 1H2* A 6 H2* A 6 8.577 -1.613 -0.640 61 2HO* A 6 HO2* A 6 10.991 -0.991 0.305 62 H1* A 6 H1* A 6 9.872 -3.990 -0.083 63 H8 A 6 H8 A 6 6.837 -4.494 1.827 64 1H6 A 6 1H6 A 6 3.565 -5.261 -1.637 65 2H6 A 6 2H6 A 6 3.572 -5.006 -3.367 66 H2 A 6 H2 A 6 7.596 -3.300 -4.415 67 1H5* C 7 1H5* C 7 10.494 0.512 -0.914 68 2H5* C 7 2H5* C 7 10.286 2.258 -1.160 69 H4* C 7 H4* C 7 10.278 1.073 -3.315 70 H3* C 7 H3* C 7 7.646 2.256 -2.367 71 1H2* C 7 H2* C 7 6.690 1.675 -4.441 72 2HO* C 7 HO2* C 7 8.174 2.223 -5.954 73 H1* C 7 H1* C 7 7.872 -0.809 -4.623 74 1H4 C 7 1H4 C 7 2.529 -1.154 -0.699 75 2H4 C 7 2H4 C 7 1.983 -1.616 -2.295 76 H5 C 7 H5 C 7 4.773 -0.409 -0.236 77 H6 C 7 H6 C 7 6.966 0.087 -1.207 78 1H5* U 8 1H5* U 8 8.899 3.862 -6.079 79 2H5* U 8 2H5* U 8 8.488 5.554 -6.421 80 H4* U 8 H4* U 8 7.743 3.866 -8.177 81 H3* U 8 H3* U 8 5.817 5.719 -6.747 82 1H2* U 8 H2* U 8 4.055 4.916 -8.073 83 2HO* U 8 HO2* U 8 4.893 3.238 -9.798 84 H1* U 8 H1* U 8 4.814 2.259 -8.071 85 H3 U 8 H3 U 8 0.835 2.796 -5.829 86 H5 U 8 H5 U 8 3.841 3.678 -3.011 87 H6 U 8 H6 U 8 5.464 3.599 -4.812 88 1H5* G 9 1H5* G 9 4.365 6.184 -10.082 89 2H5* G 9 2H5* G 9 4.454 7.846 -10.722 90 H4* G 9 H4* G 9 2.159 7.165 -10.829 91 H3* G 9 H3* G 9 2.767 8.858 -8.389 92 1H2* G 9 H2* G 9 0.509 8.784 -7.762 93 2HO* G 9 HO2* G 9 -1.059 7.814 -9.281 94 H1* G 9 H1* G 9 0.062 6.141 -8.435 95 H8 G 9 H8 G 9 3.383 6.687 -6.672 96 H1 G 9 H1 G 9 -1.559 6.308 -2.661 97 1H2 G 9 1H2 G 9 -3.463 6.318 -3.803 98 2H2 G 9 2H2 G 9 -3.512 6.420 -5.549 99 1H5* C 10 1H5* C 10 -0.369 10.996 -10.017 100 2H5* C 10 2H5* C 10 -0.004 12.733 -10.083 101 H4* C 10 H4* C 10 -2.041 12.365 -8.779 102 H3* C 10 H3* C 10 0.448 13.194 -7.260 103 1H2* C 10 H2* C 10 -0.788 13.293 -5.269 104 2HO* C 10 HO2* C 10 -2.650 14.316 -6.529 105 H1* C 10 H1* C 10 -2.329 11.043 -5.723 106 1H4 C 10 1H4 C 10 3.551 9.265 -3.204 107 2H4 C 10 2H4 C 10 2.415 9.231 -1.873 108 H5 C 10 H5 C 10 2.962 9.998 -5.421 109 H6 C 10 H6 C 10 1.165 10.868 -6.840 110 1H5* U 11 1H5* U 11 -2.130 16.077 -6.054 111 2H5* U 11 2H5* U 11 -1.413 17.701 -6.015 112 H4* U 11 H4* U 11 -2.183 16.947 -3.767 113 H3* U 11 H3* U 11 0.775 17.382 -4.280 114 1H2* U 11 H2* U 11 1.246 16.913 -2.032 115 2HO* U 11 HO2* U 11 -0.110 17.425 -0.487 116 H1* U 11 H1* U 11 -0.560 14.842 -1.734 117 H3 U 11 H3 U 11 3.661 13.134 -1.369 118 H5 U 11 H5 U 11 3.026 13.570 -5.513 119 H6 U 11 H6 U 11 0.967 14.748 -5.008 120 1H5* U 12 1H5* U 12 -1.354 21.809 -2.676 121 2H5* U 12 2H5* U 12 -0.104 22.638 -1.728 122 H4* U 12 H4* U 12 -1.711 22.869 -0.151 123 H3* U 12 H3* U 12 -0.293 20.651 0.510 124 1H2* U 12 H2* U 12 -1.610 19.060 -0.628 125 2HO* U 12 HO2* U 12 -1.840 18.051 1.241 126 H1* U 12 H1* U 12 -4.169 20.320 0.340 127 H3 U 12 H3 U 12 -6.097 16.942 -1.960 128 H5 U 12 H5 U 12 -3.738 18.900 -4.851 129 H6 U 12 H6 U 12 -2.830 20.286 -3.077 130 1H5* C 13 1H5* C 13 -1.724 19.023 2.876 131 2H5* C 13 2H5* C 13 -1.222 19.155 4.572 132 H4* C 13 H4* C 13 -0.835 16.890 3.575 133 H3* C 13 H3* C 13 0.783 18.227 5.306 134 1H2* C 13 H2* C 13 2.176 19.225 3.746 135 2HO* C 13 HO2* C 13 3.501 17.867 5.087 136 H1* C 13 H1* C 13 2.391 16.730 2.072 137 1H4 C 13 1H4 C 13 4.723 20.937 -2.083 138 2H4 C 13 2H4 C 13 3.813 22.247 -1.367 139 H5 C 13 H5 C 13 2.299 21.945 0.487 140 H6 C 13 H6 C 13 1.359 20.327 2.069 141 1H5* G 14 1H5* G 14 0.810 14.719 6.535 142 2H5* G 14 2H5* G 14 1.274 13.019 6.796 143 H4* G 14 H4* G 14 -1.191 13.567 7.084 144 H3* G 14 H3* G 14 -0.247 11.588 4.984 145 1H2* G 14 H2* G 14 -2.472 11.115 4.428 146 2HO* G 14 HO2* G 14 -4.083 11.281 5.819 147 H1* G 14 H1* G 14 -3.412 13.704 4.599 148 H8 G 14 H8 G 14 -3.861 14.016 2.100 149 H1 G 14 H1 G 14 1.546 11.163 0.297 150 1H2 G 14 1H2 G 14 2.179 10.873 3.713 151 2H2 G 14 2H2 G 14 2.724 10.566 2.079 152 1H5* G 15 1H5* G 15 -1.828 9.046 8.312 153 2H5* G 15 2H5* G 15 -1.498 7.300 8.150 154 H4* G 15 H4* G 15 -3.730 8.294 7.218 155 H3* G 15 H3* G 15 -1.805 6.546 5.651 156 1H2* G 15 H2* G 15 -3.306 6.546 3.836 157 2HO* G 15 HO2* G 15 -5.432 7.147 4.014 158 H1* G 15 H1* G 15 -3.962 9.210 3.973 159 H8 G 15 H8 G 15 -0.305 8.174 4.599 160 H1 G 15 H1 G 15 -1.654 9.396 -1.513 161 1H2 G 15 1H2 G 15 -3.829 9.762 -1.751 162 2H2 G 15 2H2 G 15 -4.946 9.706 -0.405 163 1H5* U 16 1H5* U 16 -5.641 5.104 5.222 164 2H5* U 16 2H5* U 16 -5.776 3.371 4.857 165 H4* U 16 H4* U 16 -6.592 5.038 3.055 166 H3* U 16 H3* U 16 -4.633 2.774 2.577 167 1H2* U 16 H2* U 16 -4.558 3.307 0.292 168 2HO* U 16 HO2* U 16 -6.870 3.572 0.075 169 H1* U 16 H1* U 16 -4.598 6.059 0.580 170 H3 U 16 H3 U 16 -0.479 5.240 -1.091 171 H5 U 16 H5 U 16 -0.281 3.732 2.837 172 H6 U 16 H6 U 16 -2.654 4.178 3.061 173 1H5* A 17 1H5* A 17 -8.465 1.674 0.690 174 2H5* A 17 2H5* A 17 -8.589 0.013 0.080 175 H4* A 17 H4* A 17 -8.010 2.089 -1.523 176 H3* A 17 H3* A 17 -8.012 -0.603 -1.876 177 1H2* A 17 H2* A 17 -5.878 -1.062 -1.007 178 2HO* A 17 HO2* A 17 -6.084 -1.204 -3.615 179 H1* A 17 H1* A 17 -4.642 1.281 -2.441 180 H8 A 17 H8 A 17 -4.991 -0.510 0.989 181 1H6 A 17 1H6 A 17 1.012 0.668 1.692 182 2H6 A 17 2H6 A 17 -0.394 -0.093 2.402 183 H2 A 17 H2 A 17 -0.321 2.488 -2.196 184 1H5* A 18 1H5* A 18 -9.541 0.998 -6.760 185 2H5* A 18 2H5* A 18 -9.532 -0.722 -7.200 186 H4* A 18 H4* A 18 -8.438 0.372 -9.003 187 H3* A 18 H3* A 18 -6.463 -0.779 -7.006 188 1H2* A 18 H2* A 18 -4.688 -0.103 -8.396 189 2HO* A 18 HO2* A 18 -6.633 0.531 -10.394 190 H1* A 18 H1* A 18 -5.718 2.365 -9.036 191 H8 A 18 H8 A 18 -6.378 1.682 -5.399 192 1H6 A 18 1H6 A 18 -0.602 3.448 -4.222 193 2H6 A 18 2H6 A 18 -2.149 3.036 -3.519 194 H2 A 18 H2 A 18 -1.054 3.058 -8.677 195 1H5* G 19 1H5* G 19 -5.204 -2.010 -10.600 196 2H5* G 19 2H5* G 19 -4.424 -3.612 -10.656 197 H4* G 19 H4* G 19 -3.007 -1.577 -11.310 198 H3* G 19 H3* G 19 -2.232 -3.466 -9.067 199 1H2* G 19 H2* G 19 -0.210 -2.306 -8.796 200 2HO* G 19 HO2* G 19 -0.780 -0.870 -11.201 201 H1* G 19 H1* G 19 -1.247 0.232 -9.128 202 H8 G 19 H8 G 19 -3.718 -1.293 -6.907 203 H1 G 19 H1 G 19 1.852 -0.602 -3.882 204 1H2 G 19 1H2 G 19 3.463 -0.171 -5.347 205 2H2 G 19 2H2 G 19 3.161 -0.049 -7.066 206 1H5* U 20 1H5* U 20 1.170 -3.633 -10.794 207 2H5* U 20 2H5* U 20 1.765 -5.289 -11.034 208 H4* U 20 H4* U 20 3.280 -4.046 -9.551 209 H3* U 20 H3* U 20 1.606 -6.260 -8.330 210 1H2* U 20 H2* U 20 2.660 -5.932 -6.261 211 2HO* U 20 HO2* U 20 4.587 -4.392 -7.708 212 H1* U 20 H1* U 20 2.759 -3.171 -6.366 213 H3 U 20 H3 U 20 -0.099 -4.196 -2.983 214 H5 U 20 H5 U 20 -2.305 -5.003 -6.482 215 H6 U 20 H6 U 20 -0.291 -4.592 -7.770 216 1H5* C 21 1H5* C 21 5.155 -7.352 -6.832 217 2H5* C 21 2H5* C 21 5.490 -9.063 -7.171 218 H4* C 21 H4* C 21 5.542 -8.672 -4.753 219 H3* C 21 H3* C 21 3.192 -10.235 -5.865 220 1H2* C 21 H2* C 21 2.373 -10.576 -3.695 221 2HO* C 21 HO2* C 21 4.881 -9.601 -2.719 222 H1* C 21 H1* C 21 2.962 -8.059 -2.714 223 1H4 C 21 1H4 C 21 -3.213 -7.982 -4.298 224 2H4 C 21 2H4 C 21 -2.801 -7.840 -5.993 225 H5 C 21 H5 C 21 -0.539 -7.910 -6.813 226 H6 C 21 H6 C 21 1.818 -8.140 -6.189 227 1H5* C 22 1H5* C 22 4.771 -12.618 -2.596 228 2H5* C 22 2H5* C 22 5.236 -14.172 -3.321 229 H4* C 22 H4* C 22 3.997 -14.550 -1.234 230 H3* C 22 H3* C 22 2.619 -15.251 -3.844 231 1H2* C 22 H2* C 22 0.776 -16.088 -2.661 232 2HO* C 22 HO2* C 22 0.942 -16.264 -0.281 233 H1* C 22 H1* C 22 0.716 -14.138 -0.704 234 1H4 C 22 1H4 C 22 -2.432 -11.760 -6.020 235 2H4 C 22 2H4 C 22 -3.660 -12.590 -5.092 236 H5 C 22 H5 C 22 -0.094 -11.808 -5.454 237 H6 C 22 H6 C 22 1.575 -12.648 -3.870 238 1H5* C 23 1H5* C 23 1.901 -18.572 -1.190 239 2H5* C 23 2H5* C 23 2.627 -19.966 -2.016 240 H4* C 23 H4* C 23 0.451 -20.663 -1.291 241 H3* C 23 H3* C 23 0.597 -19.949 -4.236 242 1H2* C 23 H2* C 23 -1.651 -20.563 -4.501 243 2HO* C 23 HO2* C 23 -2.775 -21.764 -2.933 244 H1* C 23 H1* C 23 -2.575 -19.515 -2.114 245 1H4 C 23 1H4 C 23 -2.274 -14.729 -6.707 246 2H4 C 23 2H4 C 23 -3.954 -15.205 -6.597 247 H5 C 23 H5 C 23 -0.513 -15.813 -5.469 248 H6 C 23 H6 C 23 0.019 -17.598 -3.879 249 H3T C 23 H3T C 23 0.554 -22.308 -4.417 Start of MODEL 6 1 1H5* G 1 1H5* G 1 -14.474 -16.696 -7.131 2 2H5* G 1 2H5* G 1 -14.568 -15.101 -6.337 3 H4* G 1 H4* G 1 -13.685 -17.010 -4.910 4 H3* G 1 H3* G 1 -11.994 -14.571 -5.536 5 1H2* G 1 H2* G 1 -10.270 -15.398 -4.182 6 2HO* G 1 HO2* G 1 -12.099 -17.367 -3.202 7 H1* G 1 H1* G 1 -10.503 -18.056 -4.904 8 H8 G 1 H8 G 1 -10.663 -15.127 -7.435 9 H1 G 1 H1 G 1 -4.916 -17.825 -6.851 10 1H2 G 1 1H2 G 1 -4.968 -19.388 -5.275 11 2H2 G 1 2H2 G 1 -6.418 -19.761 -4.370 12 H5T G 1 H5* G 1 -12.715 -14.491 -7.423 13 1H5* G 2 1H5* G 2 -12.567 -15.140 -0.999 14 2H5* G 2 2H5* G 2 -12.468 -13.531 -0.235 15 H4* G 2 H4* G 2 -10.985 -15.366 0.742 16 H3* G 2 H3* G 2 -9.839 -12.802 -0.404 17 1H2* G 2 H2* G 2 -7.690 -13.469 0.270 18 2HO* G 2 HO2* G 2 -7.465 -15.415 1.612 19 H1* G 2 H1* G 2 -7.941 -16.127 -0.418 20 H8 G 2 H8 G 2 -9.430 -13.778 -3.006 21 H1 G 2 H1 G 2 -3.108 -14.413 -3.545 22 1H2 G 2 1H2 G 2 -2.307 -15.527 -1.800 23 2H2 G 2 2H2 G 2 -3.329 -16.114 -0.509 24 1H5* G 3 1H5* G 3 -8.203 -13.345 3.563 25 2H5* G 3 2H5* G 3 -7.949 -11.763 4.347 26 H4* G 3 H4* G 3 -5.929 -13.341 4.127 27 H3* G 3 H3* G 3 -5.964 -10.515 3.023 28 1H2* G 3 H2* G 3 -3.724 -10.742 2.366 29 2HO* G 3 HO2* G 3 -3.485 -12.178 4.525 30 H1* G 3 H1* G 3 -3.896 -13.353 1.480 31 H8 G 3 H8 G 3 -6.912 -11.646 0.150 32 H1 G 3 H1 G 3 -1.636 -9.765 -2.892 33 1H2 G 3 1H2 G 3 0.058 -11.347 -0.286 34 2H2 G 3 2H2 G 3 0.163 -10.435 -1.776 35 1H5* A 4 1H5* A 4 -2.522 -11.076 5.659 36 2H5* A 4 2H5* A 4 -2.026 -9.552 6.423 37 H4* A 4 H4* A 4 -0.309 -10.851 4.927 38 H3* A 4 H3* A 4 -0.929 -7.883 4.822 39 1H2* A 4 H2* A 4 0.713 -7.597 3.168 40 2HO* A 4 HO2* A 4 2.349 -8.867 4.159 41 H1* A 4 H1* A 4 0.184 -9.914 1.758 42 H8 A 4 H8 A 4 -3.156 -8.512 2.452 43 1H6 A 4 1H6 A 4 -2.184 -4.247 -1.883 44 2H6 A 4 2H6 A 4 -3.378 -4.989 -0.843 45 H2 A 4 H2 A 4 1.733 -6.276 -1.024 46 1H5* U 5 1H5* U 5 3.964 -6.348 6.245 47 2H5* U 5 2H5* U 5 2.995 -5.075 5.476 48 H4* U 5 H4* U 5 5.004 -6.956 4.213 49 H3* U 5 H3* U 5 5.301 -4.393 5.053 50 1H2* U 5 H2* U 5 3.562 -3.388 3.863 51 2HO* U 5 HO2* U 5 4.459 -2.404 1.990 52 H1* U 5 H1* U 5 4.080 -4.909 1.334 53 H3 U 5 H3 U 5 0.349 -2.907 -0.167 54 H5 U 5 H5 U 5 -0.850 -4.472 3.558 55 H6 U 5 H6 U 5 1.438 -5.190 3.919 56 1H5* A 6 1H5* A 6 9.916 -2.939 4.025 57 2H5* A 6 2H5* A 6 9.125 -1.413 3.580 58 H4* A 6 H4* A 6 10.985 -2.367 2.010 59 H3* A 6 H3* A 6 8.244 -1.383 1.162 60 1H2* A 6 H2* A 6 8.791 -1.765 -1.086 61 2HO* A 6 HO2* A 6 11.281 -1.203 -0.238 62 H1* A 6 H1* A 6 10.149 -4.142 -0.703 63 H8 A 6 H8 A 6 7.231 -4.726 1.375 64 1H6 A 6 1H6 A 6 3.795 -5.505 -1.921 65 2H6 A 6 2H6 A 6 3.705 -5.223 -3.645 66 H2 A 6 H2 A 6 7.636 -3.429 -4.878 67 1H5* C 7 1H5* C 7 10.703 0.369 -1.409 68 2H5* C 7 2H5* C 7 10.473 2.123 -1.567 69 H4* C 7 H4* C 7 10.326 1.069 -3.770 70 H3* C 7 H3* C 7 7.709 2.067 -2.589 71 1H2* C 7 H2* C 7 6.670 1.575 -4.653 72 2HO* C 7 HO2* C 7 7.907 0.988 -6.497 73 H1* C 7 H1* C 7 7.923 -0.847 -5.019 74 1H4 C 7 1H4 C 7 2.835 -1.554 -0.811 75 2H4 C 7 2H4 C 7 2.225 -1.999 -2.389 76 H5 C 7 H5 C 7 5.066 -0.718 -0.447 77 H6 C 7 H6 C 7 7.180 -0.100 -1.519 78 1H5* U 8 1H5* U 8 8.720 3.622 -6.316 79 2H5* U 8 2H5* U 8 8.403 5.339 -6.638 80 H4* U 8 H4* U 8 7.616 3.767 -8.456 81 H3* U 8 H3* U 8 5.704 5.585 -6.961 82 1H2* U 8 H2* U 8 3.941 4.867 -8.332 83 2HO* U 8 HO2* U 8 5.673 4.836 -10.220 84 H1* U 8 H1* U 8 4.665 2.202 -8.453 85 H3 U 8 H3 U 8 0.665 2.743 -6.230 86 H5 U 8 H5 U 8 3.674 3.266 -3.328 87 H6 U 8 H6 U 8 5.311 3.280 -5.117 88 1H5* G 9 1H5* G 9 4.168 6.219 -10.205 89 2H5* G 9 2H5* G 9 4.311 7.905 -10.763 90 H4* G 9 H4* G 9 1.984 7.363 -10.811 91 H3* G 9 H3* G 9 2.769 8.827 -8.274 92 1H2* G 9 H2* G 9 0.533 8.814 -7.563 93 2HO* G 9 HO2* G 9 -1.152 8.102 -9.055 94 H1* G 9 H1* G 9 -0.071 6.255 -8.418 95 H8 G 9 H8 G 9 3.333 6.395 -6.775 96 H1 G 9 H1 G 9 -1.441 6.210 -2.555 97 1H2 G 9 1H2 G 9 -3.383 6.492 -3.593 98 2H2 G 9 2H2 G 9 -3.498 6.724 -5.323 99 1H5* C 10 1H5* C 10 -0.297 11.009 -9.299 100 2H5* C 10 2H5* C 10 0.071 12.732 -9.529 101 H4* C 10 H4* C 10 -1.716 12.643 -7.943 102 H3* C 10 H3* C 10 1.005 13.063 -6.677 103 1H2* C 10 H2* C 10 0.003 13.245 -4.564 104 2HO* C 10 HO2* C 10 -2.469 13.514 -5.975 105 H1* C 10 H1* C 10 -1.873 11.245 -4.914 106 1H4 C 10 1H4 C 10 3.897 8.522 -3.093 107 2H4 C 10 2H4 C 10 2.935 8.641 -1.637 108 H5 C 10 H5 C 10 3.184 9.399 -5.221 109 H6 C 10 H6 C 10 1.401 10.582 -6.413 110 1H5* U 11 1H5* U 11 -1.019 15.559 -4.933 111 2H5* U 11 2H5* U 11 -0.536 17.268 -4.923 112 H4* U 11 H4* U 11 -0.745 16.593 -2.634 113 H3* U 11 H3* U 11 2.110 16.727 -3.635 114 1H2* U 11 H2* U 11 2.866 16.203 -1.464 115 2HO* U 11 HO2* U 11 0.372 16.172 -0.234 116 H1* U 11 H1* U 11 0.940 14.312 -0.886 117 H3 U 11 H3 U 11 4.851 11.996 -1.192 118 H5 U 11 H5 U 11 3.772 12.777 -5.190 119 H6 U 11 H6 U 11 1.993 14.202 -4.365 120 1H5* U 12 1H5* U 12 0.160 21.570 -0.321 121 2H5* U 12 2H5* U 12 1.646 20.908 0.393 122 H4* U 12 H4* U 12 -0.138 21.296 2.097 123 H3* U 12 H3* U 12 1.535 19.165 1.979 124 1H2* U 12 H2* U 12 0.193 17.753 0.667 125 2HO* U 12 HO2* U 12 0.216 16.243 2.143 126 H1* U 12 H1* U 12 -2.308 18.394 2.202 127 H3 U 12 H3 U 12 -3.808 15.318 -0.852 128 H5 U 12 H5 U 12 -2.813 18.736 -3.104 129 H6 U 12 H6 U 12 -1.809 19.681 -1.110 130 1H5* C 13 1H5* C 13 0.307 16.976 4.170 131 2H5* C 13 2H5* C 13 0.768 16.940 5.883 132 H4* C 13 H4* C 13 1.125 14.750 4.831 133 H3* C 13 H3* C 13 2.892 16.023 6.455 134 1H2* C 13 H2* C 13 4.161 17.045 4.815 135 2HO* C 13 HO2* C 13 5.613 15.723 5.988 136 H1* C 13 H1* C 13 4.226 14.589 3.071 137 1H4 C 13 1H4 C 13 6.367 18.900 -1.074 138 2H4 C 13 2H4 C 13 5.537 20.199 -0.247 139 H5 C 13 H5 C 13 4.114 19.847 1.669 140 H6 C 13 H6 C 13 3.236 18.189 3.241 141 1H5* G 14 1H5* G 14 3.053 12.489 7.553 142 2H5* G 14 2H5* G 14 3.244 10.720 7.663 143 H4* G 14 H4* G 14 0.936 11.518 8.189 144 H3* G 14 H3* G 14 1.372 9.888 5.669 145 1H2* G 14 H2* G 14 -0.953 9.843 5.330 146 2HO* G 14 HO2* G 14 -2.343 9.936 6.937 147 H1* G 14 H1* G 14 -1.409 12.469 6.033 148 H8 G 14 H8 G 14 -1.986 13.342 3.696 149 H1 G 14 H1 G 14 2.651 10.049 0.817 150 1H2 G 14 1H2 G 14 3.468 8.983 4.034 151 2H2 G 14 2H2 G 14 3.828 8.922 2.323 152 1H5* G 15 1H5* G 15 -0.367 7.188 8.578 153 2H5* G 15 2H5* G 15 -0.357 5.441 8.217 154 H4* G 15 H4* G 15 -2.479 6.810 7.640 155 H3* G 15 H3* G 15 -0.951 5.117 5.637 156 1H2* G 15 H2* G 15 -2.567 5.593 3.997 157 2HO* G 15 HO2* G 15 -4.235 5.642 6.031 158 H1* G 15 H1* G 15 -2.865 8.261 4.603 159 H8 G 15 H8 G 15 0.646 6.661 4.674 160 H1 G 15 H1 G 15 -0.957 9.191 -0.954 161 1H2 G 15 1H2 G 15 -3.058 9.901 -0.897 162 2H2 G 15 2H2 G 15 -4.063 9.752 0.526 163 1H5* U 16 1H5* U 16 -4.964 4.059 5.426 164 2H5* U 16 2H5* U 16 -5.278 2.423 4.812 165 H4* U 16 H4* U 16 -6.071 4.429 3.368 166 H3* U 16 H3* U 16 -4.398 2.100 2.381 167 1H2* U 16 H2* U 16 -4.447 2.972 0.200 168 2HO* U 16 HO2* U 16 -6.713 3.474 0.201 169 H1* U 16 H1* U 16 -4.177 5.637 0.891 170 H3 U 16 H3 U 16 -0.319 4.636 -1.272 171 H5 U 16 H5 U 16 0.062 2.694 2.448 172 H6 U 16 H6 U 16 -2.233 3.308 2.932 173 1H5* A 17 1H5* A 17 -8.434 1.606 0.668 174 2H5* A 17 2H5* A 17 -8.742 0.044 -0.115 175 H4* A 17 H4* A 17 -8.100 2.233 -1.522 176 H3* A 17 H3* A 17 -8.316 -0.397 -2.158 177 1H2* A 17 H2* A 17 -6.168 -1.083 -1.488 178 2HO* A 17 HO2* A 17 -5.869 -0.180 -4.186 179 H1* A 17 H1* A 17 -4.860 1.320 -2.749 180 H8 A 17 H8 A 17 -5.144 -0.771 0.511 181 1H6 A 17 1H6 A 17 0.976 -0.216 0.875 182 2H6 A 17 2H6 A 17 -0.447 -0.912 1.617 183 H2 A 17 H2 A 17 -0.419 2.079 -2.726 184 1H5* A 18 1H5* A 18 -9.705 0.586 -7.098 185 2H5* A 18 2H5* A 18 -9.316 -1.135 -7.302 186 H4* A 18 H4* A 18 -8.324 0.117 -9.137 187 H3* A 18 H3* A 18 -6.399 -0.878 -7.012 188 1H2* A 18 H2* A 18 -4.596 -0.064 -8.276 189 2HO* A 18 HO2* A 18 -6.451 0.297 -10.424 190 H1* A 18 H1* A 18 -5.786 2.296 -9.066 191 H8 A 18 H8 A 18 -6.589 1.752 -5.451 192 1H6 A 18 1H6 A 18 -0.964 3.829 -4.063 193 2H6 A 18 2H6 A 18 -2.531 3.388 -3.420 194 H2 A 18 H2 A 18 -1.156 3.193 -8.508 195 1H5* G 19 1H5* G 19 -4.942 -2.043 -10.616 196 2H5* G 19 2H5* G 19 -4.028 -3.574 -10.656 197 H4* G 19 H4* G 19 -2.810 -1.379 -11.297 198 H3* G 19 H3* G 19 -1.848 -3.306 -9.160 199 1H2* G 19 H2* G 19 0.074 -2.001 -8.837 200 2HO* G 19 HO2* G 19 -0.626 -0.529 -11.187 201 H1* G 19 H1* G 19 -1.158 0.465 -9.045 202 H8 G 19 H8 G 19 -3.507 -1.249 -6.873 203 H1 G 19 H1 G 19 2.087 -0.588 -3.891 204 1H2 G 19 1H2 G 19 3.665 -0.033 -5.351 205 2H2 G 19 2H2 G 19 3.334 0.174 -7.057 206 1H5* U 20 1H5* U 20 1.558 -3.143 -10.861 207 2H5* U 20 2H5* U 20 2.247 -4.743 -11.210 208 H4* U 20 H4* U 20 3.691 -3.537 -9.638 209 H3* U 20 H3* U 20 2.105 -5.886 -8.556 210 1H2* U 20 H2* U 20 3.135 -5.630 -6.463 211 2HO* U 20 HO2* U 20 4.997 -4.378 -6.169 212 H1* U 20 H1* U 20 3.116 -2.865 -6.413 213 H3 U 20 H3 U 20 0.270 -4.138 -3.115 214 H5 U 20 H5 U 20 -1.852 -4.942 -6.667 215 H6 U 20 H6 U 20 0.151 -4.384 -7.915 216 1H5* C 21 1H5* C 21 5.700 -6.972 -7.069 217 2H5* C 21 2H5* C 21 6.078 -8.637 -7.560 218 H4* C 21 H4* C 21 6.121 -8.452 -5.115 219 H3* C 21 H3* C 21 3.827 -9.992 -6.366 220 1H2* C 21 H2* C 21 3.024 -10.549 -4.234 221 2HO* C 21 HO2* C 21 5.505 -9.581 -3.185 222 H1* C 21 H1* C 21 3.521 -8.107 -3.038 223 1H4 C 21 1H4 C 21 -2.246 -7.784 -6.294 224 2H4 C 21 2H4 C 21 -2.652 -8.154 -4.633 225 H5 C 21 H5 C 21 0.018 -7.657 -7.103 226 H6 C 21 H6 C 21 2.382 -7.852 -6.495 227 1H5* C 22 1H5* C 22 5.481 -12.397 -3.295 228 2H5* C 22 2H5* C 22 5.810 -14.032 -3.904 229 H4* C 22 H4* C 22 4.542 -14.068 -1.766 230 H3* C 22 H3* C 22 3.222 -15.071 -4.307 231 1H2* C 22 H2* C 22 1.322 -15.700 -3.082 232 2HO* C 22 HO2* C 22 2.850 -15.262 -0.703 233 H1* C 22 H1* C 22 1.267 -13.510 -1.394 234 1H4 C 22 1H4 C 22 -1.667 -11.898 -7.124 235 2H4 C 22 2H4 C 22 -2.959 -12.312 -6.019 236 H5 C 22 H5 C 22 0.666 -12.114 -6.567 237 H6 C 22 H6 C 22 2.266 -12.771 -4.833 238 1H5* C 23 1H5* C 23 2.511 -17.990 -1.206 239 2H5* C 23 2H5* C 23 3.258 -19.491 -1.790 240 H4* C 23 H4* C 23 1.091 -20.052 -0.890 241 H3* C 23 H3* C 23 1.254 -20.009 -3.918 242 1H2* C 23 H2* C 23 -0.975 -20.728 -4.051 243 2HO* C 23 HO2* C 23 -0.850 -22.378 -2.463 244 H1* C 23 H1* C 23 -1.949 -19.206 -1.960 245 1H4 C 23 1H4 C 23 -1.761 -15.564 -7.507 246 2H4 C 23 2H4 C 23 -3.437 -15.994 -7.247 247 H5 C 23 H5 C 23 0.036 -16.354 -6.108 248 H6 C 23 H6 C 23 0.613 -17.722 -4.160 249 H3T C 23 H3T C 23 1.275 -22.348 -3.567 No H/Q in entry = 249
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