NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
2427 | 1bwg | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H5* G 1 1H5' G5' 1 -5.717 -7.553 -7.553 2 2H5* G 1 2H5' G5' 1 -6.226 -8.554 -8.554 3 H4* G 1 H4' G5' 1 -3.790 -8.636 -8.636 4 H3* G 1 H3' G5' 1 -5.017 -8.171 -8.171 5 1H2* G 1 1H2' G5' 1 -3.103 -6.402 -6.402 6 2H2* G 1 2H2' G5' 1 -4.537 -5.822 -5.822 7 H1* G 1 H1' G5' 1 -1.836 -6.574 -6.574 8 H8 G 1 H8 G5' 1 -4.723 -3.954 -3.954 9 H1 G 1 H1 G5' 1 1.195 -1.461 -1.461 10 1H2 G 1 1H2 G5' 1 2.715 -3.100 -3.100 11 2H2 G 1 2H2 G5' 1 2.262 -4.784 -4.784 12 H5T G 1 H5' G5' 1 -6.349 -6.650 -6.650 13 1H5* A 2 1H5' A 2 -0.267 -8.418 -8.418 14 2H5* A 2 2H5' A 2 0.248 -9.566 -9.566 15 H4* A 2 H4' A 2 1.967 -7.907 -7.907 16 H3* A 2 H3' A 2 0.790 -8.469 -8.469 17 1H2* A 2 1H2' A 2 1.115 -5.917 -5.917 18 2H2* A 2 2H2' A 2 -0.369 -6.388 -6.388 19 H1* A 2 H1' A 2 2.158 -5.245 -5.245 20 H8 A 2 H8 A 2 -1.730 -4.790 -4.790 21 1H6 A 2 1H6 A 2 -0.597 1.251 1.251 22 2H6 A 2 2H6 A 2 -1.836 0.032 0.032 23 H2 A 2 H2 A 2 3.328 -0.894 -0.894 24 1H5* C 3 1H5' C 3 5.083 -6.275 -6.275 25 2H5* C 3 2H5' C 3 6.101 -6.903 -6.903 26 H4* C 3 H4' C 3 6.738 -4.609 -4.609 27 H3* C 3 H3' C 3 6.032 -5.417 -5.417 28 1H2* C 3 1H2' C 3 5.757 -2.705 -2.705 29 2H2* C 3 2H2' C 3 4.424 -3.881 -3.881 30 H1* C 3 H1' C 3 5.569 -2.023 -2.023 31 1H4 C 3 1H4 C 3 -1.150 -1.583 -1.583 32 2H4 C 3 2H4 C 3 -0.567 0.053 0.053 33 H5 C 3 H5 C 3 0.357 -3.540 -3.540 34 H6 C 3 H6 C 3 2.686 -4.228 -4.228 35 1H5* T 4 1H5' T 4 8.759 -1.525 -1.525 36 2H5* T 4 2H5' T 4 9.908 -1.460 -1.460 37 H4* T 4 H4' T 4 8.815 0.718 0.718 38 H3* T 4 H3' T 4 8.513 -0.650 -0.650 39 1H2* T 4 1H2' T 4 7.054 1.805 1.805 40 2H2* T 4 2H2' T 4 6.353 0.170 0.170 41 H1* T 4 H1' T 4 6.549 2.004 2.004 42 H3 T 4 H3 T 4 1.950 2.087 2.087 43 1H5M T 4 1H5M T 4 1.905 -2.253 -2.253 44 2H5M T 4 2H5M T 4 2.387 -2.771 -2.771 45 3H5M T 4 3H5M T 4 3.561 -2.864 -2.864 46 H6 T 4 H6 T 4 5.203 -1.413 -1.413 47 1H5* G 5 1H5' G 5 9.384 3.925 3.925 48 2H5* G 5 2H5' G 5 10.554 4.208 4.208 49 H4* G 5 H4' G 5 8.862 5.972 5.972 50 H3* G 5 H3' G 5 9.573 4.567 4.567 51 1H2* G 5 1H2' G 5 7.015 4.908 4.908 52 2H2* G 5 2H2' G 5 7.615 3.429 3.429 53 H1* G 5 H1' G 5 5.971 5.665 5.665 54 H8 G 5 H8 G 5 6.540 1.737 1.737 55 H1 G 5 H1 G 5 0.631 3.573 3.573 56 1H2 G 5 1H2 G 5 0.549 5.807 5.807 57 2H2 G 5 2H2 G 5 1.947 6.815 6.815 58 1H5* A 6 1H5' A 6 6.414 8.938 8.938 59 2H5* A 6 2H5' A 6 6.009 7.266 7.266 60 H4* A 6 H4' A 6 4.877 8.658 8.658 61 H3* A 6 H3' A 6 4.092 9.001 9.001 62 1H2* A 6 1H2' A 6 1.805 7.557 7.557 63 2H2* A 6 2H2' A 6 3.329 6.805 6.805 64 H1* A 6 H1' A 6 2.328 6.934 6.934 65 H8 A 6 H8 A 6 4.738 4.478 4.478 66 1H6 A 6 1H6 A 6 0.083 0.412 0.412 67 2H6 A 6 2H6 A 6 1.771 0.552 0.552 68 H2 A 6 H2 A 6 -1.375 4.601 4.601 69 1H5* G 7 1H5' G 7 -0.427 9.746 9.746 70 2H5* G 7 2H5' G 7 -0.766 11.036 11.036 71 H4* G 7 H4' G 7 -2.280 9.217 9.217 72 H3* G 7 H3' G 7 -0.303 9.923 9.923 73 1H2* G 7 1H2' G 7 -1.112 7.502 7.502 74 2H2* G 7 2H2' G 7 0.400 7.656 7.656 75 H1* G 7 H1' G 7 -2.342 6.940 6.940 76 H8 G 7 H8 G 7 1.447 5.837 5.837 77 H1 G 7 H1 G 7 -2.721 1.099 1.099 78 1H2 G 7 1H2 G 7 -4.780 1.902 1.902 79 2H2 G 7 2H2 G 7 -5.139 3.613 3.613 80 1H5* A 8 1H5' A 8 -4.157 8.028 8.028 81 2H5* A 8 2H5' A 8 -2.711 7.652 7.652 82 H4* A 8 H4' A 8 -5.044 7.722 7.722 83 H3* A 8 H3' A 8 -5.830 6.720 6.720 84 1H2* A 8 1H2' A 8 -5.487 4.121 4.121 85 2H2* A 8 2H2' A 8 -4.095 5.049 5.049 86 H1* A 8 H1' A 8 -4.715 4.581 4.581 87 H8 A 8 H8 A 8 -1.386 5.524 5.524 88 1H6 A 8 1H6 A 8 0.329 -0.426 -0.426 89 2H6 A 8 2H6 A 8 0.868 1.209 1.209 90 H2 A 8 H2 A 8 -4.019 -0.222 -0.222 91 1H5* G 9 1H5' G 9 -7.900 3.263 3.263 92 2H5* G 9 2H5' G 9 -9.471 3.190 3.190 93 H4* G 9 H4' G 9 -8.375 1.055 1.055 94 H3* G 9 H3' G 9 -8.860 2.643 2.643 95 1H2* G 9 1H2' G 9 -7.231 0.629 0.629 96 2H2* G 9 2H2' G 9 -6.714 2.261 2.261 97 H1* G 9 H1' G 9 -6.588 -0.148 -0.148 98 H8 G 9 H8 G 9 -4.366 2.986 2.986 99 H1 G 9 H1 G 9 -1.380 -2.700 -2.700 100 1H2 G 9 1H2 G 9 -2.864 -4.337 -4.337 101 2H2 G 9 2H2 G 9 -4.558 -4.002 -4.002 102 1H5* A 10 1H5' A 10 -8.590 -1.869 -1.869 103 2H5* A 10 2H5' A 10 -9.805 -2.697 -2.697 104 H4* A 10 H4' A 10 -7.703 -3.883 -3.883 105 H3* A 10 H3' A 10 -9.037 -2.809 -2.809 106 1H2* A 10 1H2' A 10 -6.633 -2.750 -2.750 107 2H2* A 10 2H2' A 10 -7.203 -1.313 -1.313 108 H1* A 10 H1' A 10 -5.432 -3.517 -3.517 109 H8 A 10 H8 A 10 -5.519 0.311 0.311 110 1H6 A 10 1H6 A 10 0.657 -0.525 -0.525 111 2H6 A 10 2H6 A 10 -0.610 0.680 0.680 112 H2 A 10 H2 A 10 -1.419 -4.500 -4.500 113 1H5* C 11 1H5' C 11 -6.495 -6.941 -6.941 114 2H5* C 11 2H5' C 11 -7.241 -7.983 -7.983 115 H4* C 11 H4' C 11 -4.768 -8.367 -8.367 116 H3* C 11 H3' C 11 -6.142 -7.706 -7.706 117 1H2* C 11 1H2' C 11 -3.627 -7.099 -7.099 118 2H2* C 11 2H2' C 11 -4.914 -5.918 -5.918 119 H1* C 11 H1' C 11 -2.606 -6.970 -6.970 120 1H4 C 11 1H4 C 11 -2.653 -0.235 -0.235 121 2H4 C 11 2H4 C 11 -0.989 -0.747 -0.747 122 H5 C 11 H5 C 11 -4.505 -1.836 -1.836 123 H6 C 11 H6 C 11 -5.032 -4.183 -4.183 124 1H5* G 12 1H5' G 12 -2.013 -10.100 -10.100 125 2H5* G 12 2H5' G 12 -2.296 -11.342 -11.342 126 H4* G 12 H4' G 12 -0.063 -10.326 -10.326 127 H3* G 12 H3' G 12 -1.893 -10.604 -10.604 128 1H2* G 12 1H2' G 12 -0.611 -8.409 -8.409 129 2H2* G 12 2H2' G 12 -2.181 -8.294 -8.294 130 H1* G 12 H1' G 12 0.625 -7.854 -7.854 131 H8 G 12 H8 G 12 -3.046 -6.515 -6.515 132 H1 G 12 H1 G 12 1.504 -2.023 -2.023 133 1H2 G 12 1H2 G 12 3.530 -2.983 -2.983 134 2H2 G 12 2H2 G 12 3.732 -4.710 -4.710 135 1H5* T 13 1H5' T 13 2.597 -9.512 -9.512 136 2H5* T 13 2H5' T 13 3.444 -10.390 -10.390 137 H4* T 13 H4' T 13 4.477 -8.211 -8.211 138 H3* T 13 H3' T 13 3.393 -9.054 -9.054 139 1H2* T 13 1H2' T 13 3.585 -6.307 -6.307 140 2H2* T 13 2H2' T 13 2.036 -7.169 -7.169 141 H1* T 13 H1' T 13 3.952 -5.684 -5.684 142 H3 T 13 H3 T 13 1.249 -1.959 -1.959 143 1H5M T 13 1H5M T 13 -2.611 -4.654 -4.654 144 2H5M T 13 2H5M T 13 -1.963 -6.291 -6.291 145 3H5M T 13 3H5M T 13 -2.166 -5.242 -5.242 146 H6 T 13 H6 T 13 0.393 -6.643 -6.643 147 1H5* A 14 1H5' A3' 14 6.710 -5.665 -5.665 148 2H5* A 14 2H5' A3' 14 7.846 -6.120 -6.120 149 H4* A 14 H4' A3' 14 7.314 -3.736 -3.736 150 H3* A 14 H3' A3' 14 7.159 -5.481 -5.481 151 1H2* A 14 1H2' A3' 14 4.955 -4.292 -4.292 152 2H2* A 14 2H2' A3' 14 4.785 -5.669 -5.669 153 H1* A 14 H1' A3' 14 4.779 -2.701 -2.701 154 H8 A 14 H8 A3' 14 2.602 -5.712 -5.712 155 1H6 A 14 1H6 A3' 14 -1.910 -2.073 -2.073 156 2H6 A 14 2H6 A3' 14 -1.575 -3.633 -3.633 157 H2 A 14 H2 A3' 14 1.986 0.103 0.103 158 1H5* T 1 1H5' T5' 15 -1.912 7.511 7.511 159 2H5* T 1 2H5' T5' 15 -1.681 8.468 8.468 160 H4* T 1 H4' T5' 15 -0.204 6.431 6.431 161 H3* T 1 H3' T5' 15 -2.040 6.991 6.991 162 1H2* T 1 1H2' T5' 15 -1.264 4.382 4.382 163 2H2* T 1 2H2' T5' 15 -2.863 4.837 4.837 164 H1* T 1 H1' T5' 15 -0.299 4.122 4.122 165 H3 T 1 H3 T5' 15 -1.048 -0.271 -0.271 166 1H5M T 1 1H5M T5' 15 -5.528 0.309 0.309 167 2H5M T 1 2H5M T5' 15 -5.802 0.993 0.993 168 3H5M T 1 3H5M T5' 15 -5.793 2.051 2.051 169 H6 T 1 H6 T5' 15 -3.913 3.444 3.444 170 H5T T 1 H5' T5' 15 -3.545 7.446 7.446 171 1H5* A 2 1H5' A 16 2.503 7.209 7.209 172 2H5* A 2 2H5' A 16 3.424 8.502 8.502 173 H4* A 2 H4' A 16 4.919 6.710 6.710 174 H3* A 2 H3' A 16 4.833 7.594 7.594 175 1H2* A 2 1H2' A 16 4.830 5.084 5.084 176 2H2* A 2 2H2' A 16 3.310 5.945 5.945 177 H1* A 2 H1' A 16 4.738 3.824 3.824 178 H8 A 2 H8 A 16 1.243 5.026 5.026 179 1H6 A 2 1H6 A 16 -0.521 -0.803 -0.803 180 2H6 A 2 2H6 A 16 -1.002 0.742 0.742 181 H2 A 2 H2 A 16 3.706 -0.301 -0.301 182 1H5* C 3 1H5' C 17 7.674 3.794 3.794 183 2H5* C 3 2H5' C 17 9.133 3.918 3.918 184 H4* C 3 H4' C 17 8.433 1.598 1.598 185 H3* C 3 H3' C 17 8.456 2.906 2.906 186 1H2* C 3 1H2' C 17 7.360 0.579 0.579 187 2H2* C 3 2H2' C 17 6.548 2.208 2.208 188 H1* C 3 H1' C 17 6.756 -0.063 -0.063 189 1H4 C 3 1H4 C 17 0.369 1.134 1.134 190 2H4 C 3 2H4 C 17 0.446 -0.567 -0.567 191 H5 C 3 H5 C 17 2.314 2.640 2.640 192 H6 C 3 H6 C 17 4.645 2.771 2.771 193 1H5* G 4 1H5' G 18 9.575 -1.650 -1.650 194 2H5* G 4 2H5' G 18 10.776 -2.052 -2.052 195 H4* G 4 H4' G 18 8.948 -3.700 -3.700 196 H3* G 4 H3' G 18 9.471 -2.200 -2.200 197 1H2* G 4 1H2' G 18 7.211 -3.552 -3.552 198 2H2* G 4 2H2' G 18 7.405 -1.821 -1.821 199 H1* G 4 H1' G 18 6.531 -4.068 -4.068 200 H8 G 4 H8 G 18 5.989 -0.306 -0.306 201 H1 G 4 H1 G 18 0.575 -3.722 -3.722 202 1H2 G 4 1H2 G 18 1.069 -5.872 -5.872 203 2H2 G 4 2H2 G 18 2.718 -6.435 -6.435 204 1H5* T 5 1H5' T 19 7.724 -6.295 -6.295 205 2H5* T 5 2H5' T 19 8.340 -7.538 -7.538 206 H4* T 5 H4' T 19 5.913 -7.753 -7.753 207 H3* T 5 H3' T 19 7.090 -7.475 -7.475 208 1H2* T 5 1H2' T 19 4.463 -6.993 -6.993 209 2H2* T 5 2H2' T 19 5.723 -5.752 -5.752 210 H1* T 5 H1' T 19 3.674 -6.665 -6.665 211 H3 T 5 H3 T 19 1.097 -2.871 -2.871 212 1H5M T 5 1H5M T 19 6.333 -1.533 -1.533 213 2H5M T 5 2H5M T 19 5.247 -0.994 -0.994 214 3H5M T 5 3H5M T 19 5.105 -0.307 -0.307 215 H6 T 5 H6 T 19 5.789 -3.792 -3.792 216 1H5* C 6 1H5' C 20 3.260 -10.616 -10.616 217 2H5* C 6 2H5' C 20 3.704 -8.925 -8.925 218 H4* C 6 H4' C 20 1.215 -9.840 -9.840 219 H3* C 6 H3' C 20 1.758 -9.441 -9.441 220 1H2* C 6 1H2' C 20 -0.269 -7.542 -7.542 221 2H2* C 6 2H2' C 20 1.495 -7.227 -7.227 222 H1* C 6 H1' C 20 -0.246 -7.255 -7.255 223 1H4 C 6 1H4 C 20 3.093 -1.460 -1.460 224 2H4 C 6 2H4 C 20 1.402 -1.035 -1.035 225 H5 C 6 H5 C 20 3.887 -3.825 -3.825 226 H6 C 6 H6 C 20 3.178 -6.111 -6.111 227 1H5* T 7 1H5' T 21 -2.831 -8.941 -8.941 228 2H5* T 7 2H5' T 21 -3.704 -9.927 -9.927 229 H4* T 7 H4' T 21 -4.730 -7.720 -7.720 230 H3* T 7 H3' T 21 -3.625 -8.687 -8.687 231 1H2* T 7 1H2' T 21 -3.703 -6.216 -6.216 232 2H2* T 7 2H2' T 21 -2.338 -7.150 -7.150 233 H1* T 7 H1' T 21 -4.163 -5.254 -5.254 234 H3 T 7 H3 T 21 -1.352 -1.621 -1.621 235 1H5M T 7 1H5M T 21 2.234 -4.927 -4.927 236 2H5M T 7 2H5M T 21 1.667 -6.129 -6.129 237 3H5M T 7 3H5M T 21 2.269 -4.564 -4.564 238 H6 T 7 H6 T 21 -0.608 -6.355 -6.355 239 1H5* C 8 1H5' C 22 -7.144 -5.636 -5.636 240 2H5* C 8 2H5' C 22 -8.343 -5.945 -5.945 241 H4* C 8 H4' C 22 -8.013 -3.530 -3.530 242 H3* C 8 H3' C 22 -7.677 -4.813 -4.813 243 1H2* C 8 1H2' C 22 -6.389 -2.507 -2.507 244 2H2* C 8 2H2' C 22 -5.565 -4.027 -4.027 245 H1* C 8 H1' C 22 -6.249 -1.710 -1.710 246 1H4 C 8 1H4 C 22 0.432 -2.477 -2.477 247 2H4 C 8 2H4 C 22 0.135 -0.758 -0.758 248 H5 C 8 H5 C 22 -1.372 -4.137 -4.137 249 H6 C 8 H6 C 22 -3.743 -4.467 -4.467 250 1H5* T 9 1H5' T 23 -8.787 -0.263 -0.263 251 2H5* T 9 2H5' T 23 -10.040 0.186 0.186 252 H4* T 9 H4' T 23 -8.523 2.059 2.059 253 H3* T 9 H3' T 23 -9.129 1.097 1.097 254 1H2* T 9 1H2' T 23 -6.746 2.228 2.228 255 2H2* T 9 2H2' T 23 -6.881 0.515 0.515 256 H1* T 9 H1' T 23 -6.014 2.695 2.695 257 H3 T 9 H3 T 23 -1.596 1.560 1.560 258 1H5M T 9 1H5M T 23 -2.921 -3.065 -3.065 259 2H5M T 9 2H5M T 23 -4.588 -3.001 -3.001 260 3H5M T 9 3H5M T 23 -3.256 -2.849 -2.849 261 H6 T 9 H6 T 23 -5.671 -0.953 -0.953 262 1H5* C 10 1H5' C 24 -7.447 5.587 5.587 263 2H5* C 10 2H5' C 24 -8.376 6.621 6.621 264 H4* C 10 H4' C 24 -6.122 7.508 7.508 265 H3* C 10 H3' C 24 -7.190 6.709 6.709 266 1H2* C 10 1H2' C 24 -4.564 6.938 6.938 267 2H2* C 10 2H2' C 24 -5.483 5.394 5.394 268 H1* C 10 H1' C 24 -3.630 6.879 6.879 269 1H4 C 10 1H4 C 24 -1.760 0.471 0.471 270 2H4 C 10 2H4 C 24 -0.284 1.408 1.408 271 H5 C 10 H5 C 24 -4.010 1.482 1.482 272 H6 C 10 H6 C 24 -5.183 3.567 3.567 273 1H5* A 11 1H5' A 25 -3.864 10.007 10.007 274 2H5* A 11 2H5' A 25 -4.289 11.226 11.226 275 H4* A 11 H4' A 25 -1.925 10.454 10.454 276 H3* A 11 H3' A 25 -3.834 10.396 10.396 277 1H2* A 11 1H2' A 25 -1.781 8.739 8.739 278 2H2* A 11 2H2' A 25 -3.418 8.214 8.214 279 H1* A 11 H1' A 25 -0.772 8.371 8.371 280 H8 A 11 H8 A 25 -3.947 6.115 6.115 281 1H6 A 11 1H6 A 25 -0.153 1.320 1.320 282 2H6 A 11 2H6 A 25 -1.782 1.814 1.814 283 H2 A 11 H2 A 25 2.213 5.079 5.079 284 1H5* G 12 1H5' G 26 0.788 10.893 10.893 285 2H5* G 12 2H5' G 26 1.346 11.780 11.780 286 H4* G 12 H4' G 26 2.800 9.869 9.869 287 H3* G 12 H3' G 26 1.541 10.123 10.123 288 1H2* G 12 1H2' G 26 2.424 7.576 7.576 289 2H2* G 12 2H2' G 26 0.732 8.031 8.031 290 H1* G 12 H1' G 26 2.939 7.301 7.301 291 H8 G 12 H8 G 26 -0.789 6.863 6.863 292 H1 G 12 H1 G 26 2.435 1.386 1.386 293 1H2 G 12 1H2 G 26 4.616 1.847 1.847 294 2H2 G 12 2H2 G 26 5.231 3.484 3.484 295 1H5* T 13 1H5' T 27 5.628 7.854 7.854 296 2H5* T 13 2H5' T 27 6.800 8.380 8.380 297 H4* T 13 H4' T 27 7.173 6.059 6.059 298 H3* T 13 H3' T 27 7.139 6.903 6.903 299 1H2* T 13 1H2' T 27 6.065 4.534 4.534 300 2H2* T 13 2H2' T 27 5.075 5.950 5.950 301 H1* T 13 H1' T 27 5.819 3.638 3.638 302 H3 T 13 H3 T 27 1.683 1.621 1.621 303 1H5M T 13 1H5M T 27 1.027 6.776 6.776 304 2H5M T 13 2H5M T 27 0.034 5.518 5.518 305 3H5M T 13 3H5M T 27 -0.249 5.990 5.990 306 H6 T 13 H6 T 27 3.141 6.015 6.015 307 1H5* C 14 1H5' C3' 28 8.268 2.411 2.411 308 2H5* C 14 2H5' C3' 28 9.576 1.850 1.850 309 H4* C 14 H4' C3' 28 7.892 0.099 0.099 310 H3* C 14 H3' C3' 28 8.617 1.068 1.068 311 1H2* C 14 1H2' C3' 28 6.332 -0.294 -0.294 312 2H2* C 14 2H2' C3' 28 6.406 1.480 1.480 313 H1* C 14 H1' C3' 28 5.650 -0.603 -0.603 314 1H4 C 14 1H4 C3' 28 0.226 3.148 3.148 315 2H4 C 14 2H4 C3' 28 -0.337 1.520 1.520 316 H5 C 14 H5 C3' 28 2.630 3.761 3.761 317 H6 C 14 H6 C3' 28 4.852 2.916 2.916 318 1H5* C 1 1H5' C5' 29 7.412 -8.205 -8.205 319 2H5* C 1 2H5' C5' 29 5.738 -7.656 -7.656 320 H4* C 1 H4' C5' 29 8.097 -6.888 -6.888 321 H3* C 1 H3' C5' 29 6.734 -5.372 -5.372 322 1H2* C 1 1H2' C5' 29 8.402 -4.159 -4.159 323 2H2* C 1 2H2' C5' 29 7.043 -3.506 -3.506 324 H1* C 1 H1' C5' 29 6.788 -4.617 -4.617 325 H3 C 1 H3 C5' 29 4.425 -0.649 -0.649 326 1H4 C 1 1H4 C5' 29 1.208 -1.704 -1.704 327 2H4 C 1 2H4 C5' 29 2.208 -0.355 -0.355 328 H5 C 1 H5 C5' 29 2.073 -3.972 -3.972 329 H6 C 1 H6 C5' 29 4.046 -5.434 -5.434 330 H5T C 1 H5' C5' 29 6.153 -9.701 -9.701 331 1H5* T 2 1H5' T 30 10.093 -3.098 -3.098 332 2H5* T 2 2H5' T 30 11.176 -3.006 -3.006 333 H4* T 2 H4' T 30 10.753 -0.823 -0.823 334 H3* T 2 H3' T 30 10.723 -1.299 -1.299 335 1H2* T 2 1H2' T 30 8.762 0.616 0.616 336 2H2* T 2 2H2' T 30 8.327 -1.105 -1.105 337 H1* T 2 H1' T 30 8.353 1.041 1.041 338 H3 T 2 H3 T 30 3.722 1.129 1.129 339 1H5M T 2 1H5M T 30 5.167 -3.851 -3.851 340 2H5M T 2 2H5M T 30 5.001 -3.826 -3.826 341 3H5M T 2 3H5M T 30 3.567 -3.582 -3.582 342 H6 T 2 H6 T 30 6.937 -2.396 -2.396 343 1H5* C 3 1H5' C 31 10.916 2.963 2.963 344 2H5* C 3 2H5' C 31 9.647 1.778 1.778 345 H4* C 3 H4' C 31 9.539 4.774 4.774 346 H3* C 3 H3' C 31 8.364 2.971 2.971 347 1H2* C 3 1H2' C 31 6.887 5.484 5.484 348 2H2* C 3 2H2' C 31 6.356 3.833 3.833 349 H1* C 3 H1' C 31 6.658 5.096 5.096 350 H3 C 3 H3 C 31 2.441 3.106 3.106 351 1H4 C 3 1H4 C 31 2.685 -0.353 -0.353 352 2H4 C 3 2H4 C 31 1.630 0.989 0.989 353 H5 C 3 H5 C 31 5.133 -0.072 -0.072 354 H6 C 3 H6 C 31 6.900 1.571 1.571 355 1H5* T 4 1H5' T 32 7.877 7.344 7.344 356 2H5* T 4 2H5' T 32 8.229 8.006 8.006 357 H4* T 4 H4' T 32 6.093 8.850 8.850 358 H3* T 4 H3' T 32 6.496 7.924 7.924 359 1H2* T 4 1H2' T 32 3.803 7.233 7.233 360 2H2* T 4 2H2' T 32 5.131 6.089 6.089 361 H1* T 4 H1' T 32 3.346 7.388 7.388 362 H3 T 4 H3 T 32 1.282 3.370 3.370 363 1H5M T 4 1H5M T 32 5.310 1.511 1.511 364 2H5M T 4 2H5M T 32 5.401 1.089 1.089 365 3H5M T 4 3H5M T 32 6.446 2.346 2.346 366 H6 T 4 H6 T 32 5.634 4.519 4.519 367 1H5* C 5 1H5' C 33 2.603 10.250 10.250 368 2H5* C 5 2H5' C 33 2.108 11.342 11.342 369 H4* C 5 H4' C 33 0.171 10.209 10.209 370 H3* C 5 H3' C 33 0.875 9.749 9.749 371 1H2* C 5 1H2' C 33 -1.440 8.214 8.214 372 2H2* C 5 2H2' C 33 0.142 7.547 7.547 373 H1* C 5 H1' C 33 -1.128 8.022 8.022 374 H3 C 5 H3 C 33 -1.560 3.360 3.360 375 1H4 C 5 1H4 C 33 1.315 1.775 1.775 376 2H4 C 5 2H4 C 33 -0.243 1.555 1.555 377 H5 C 5 H5 C 33 2.220 3.970 3.970 378 H6 C 5 H6 C 33 1.789 6.367 6.367 379 1H5* T 6 1H5' T3' 34 -3.308 9.913 9.913 380 2H5* T 6 2H5' T3' 34 -4.518 10.740 10.740 381 H4* T 6 H4' T3' 34 -5.412 8.631 8.631 382 H3* T 6 H3' T3' 34 -5.435 9.254 9.254 383 1H2* T 6 1H2' T3' 34 -5.533 6.567 6.567 384 2H2* T 6 2H2' T3' 34 -4.001 7.488 7.488 385 H1* T 6 H1' T3' 34 -5.269 6.024 6.024 386 H3 T 6 H3 T3' 34 -2.749 2.214 2.214 387 1H5M T 6 1H5M T3' 34 0.923 4.828 4.828 388 2H5M T 6 2H5M T3' 34 0.102 6.192 6.192 389 3H5M T 6 3H5M T3' 34 0.068 4.582 4.582 390 H6 T 6 H6 T3' 34 -2.007 6.716 6.716 Start of MODEL 2 1 1H5* G 1 1H5' G5' 1 -5.038 -7.974 -7.974 2 2H5* G 1 2H5' G5' 1 -5.549 -8.972 -8.972 3 H4* G 1 H4' G5' 1 -3.108 -8.998 -8.998 4 H3* G 1 H3' G5' 1 -4.410 -8.519 -8.519 5 1H2* G 1 1H2' G5' 1 -2.581 -6.671 -6.671 6 2H2* G 1 2H2' G5' 1 -4.008 -6.160 -6.160 7 H1* G 1 H1' G5' 1 -1.246 -6.835 -6.835 8 H8 G 1 H8 G5' 1 -4.224 -4.331 -4.331 9 H1 G 1 H1 G5' 1 1.602 -1.625 -1.625 10 1H2 G 1 1H2 G5' 1 3.180 -3.200 -3.200 11 2H2 G 1 2H2 G5' 1 2.789 -4.896 -4.896 12 H5T G 1 H5' G5' 1 -6.605 -6.946 -6.946 13 1H5* A 2 1H5' A 2 0.363 -8.612 -8.612 14 2H5* A 2 2H5' A 2 0.875 -9.705 -9.705 15 H4* A 2 H4' A 2 2.533 -7.976 -7.976 16 H3* A 2 H3' A 2 1.246 -8.516 -8.516 17 1H2* A 2 1H2' A 2 1.496 -5.921 -5.921 18 2H2* A 2 2H2' A 2 0.049 -6.461 -6.461 19 H1* A 2 H1' A 2 2.581 -5.291 -5.291 20 H8 A 2 H8 A 2 -1.324 -4.955 -4.955 21 1H6 A 2 1H6 A 2 -0.398 1.086 1.086 22 2H6 A 2 2H6 A 2 -1.592 -0.174 -0.174 23 H2 A 2 H2 A 2 3.604 -0.897 -0.897 24 1H5* C 3 1H5' C 3 5.609 -6.440 -6.440 25 2H5* C 3 2H5' C 3 6.523 -7.007 -7.007 26 H4* C 3 H4' C 3 7.226 -4.753 -4.753 27 H3* C 3 H3' C 3 6.348 -5.398 -5.398 28 1H2* C 3 1H2' C 3 6.040 -2.683 -2.683 29 2H2* C 3 2H2' C 3 4.714 -3.863 -3.863 30 H1* C 3 H1' C 3 6.069 -2.129 -2.129 31 1H4 C 3 1H4 C 3 -0.656 -1.405 -1.405 32 2H4 C 3 2H4 C 3 -0.006 0.205 0.205 33 H5 C 3 H5 C 3 0.751 -3.406 -3.406 34 H6 C 3 H6 C 3 3.060 -4.197 -4.197 35 1H5* T 4 1H5' T 4 9.135 -1.500 -1.500 36 2H5* T 4 2H5' T 4 10.168 -1.427 -1.427 37 H4* T 4 H4' T 4 9.106 0.742 0.742 38 H3* T 4 H3' T 4 8.577 -0.612 -0.612 39 1H2* T 4 1H2' T 4 7.111 1.851 1.851 40 2H2* T 4 2H2' T 4 6.404 0.220 0.220 41 H1* T 4 H1' T 4 6.827 2.035 2.035 42 H3 T 4 H3 T 4 2.222 2.213 2.213 43 1H5M T 4 1H5M T 4 1.961 -2.127 -2.127 44 2H5M T 4 2H5M T 4 2.565 -2.666 -2.666 45 3H5M T 4 3H5M T 4 3.626 -2.762 -2.762 46 H6 T 4 H6 T 4 5.333 -1.342 -1.342 47 1H5* G 5 1H5' G 5 9.422 3.911 3.911 48 2H5* G 5 2H5' G 5 10.467 4.258 4.258 49 H4* G 5 H4' G 5 8.768 5.988 5.988 50 H3* G 5 H3' G 5 9.326 4.778 4.778 51 1H2* G 5 1H2' G 5 6.692 4.985 4.985 52 2H2* G 5 2H2' G 5 7.398 3.517 3.517 53 H1* G 5 H1' G 5 5.776 5.674 5.674 54 H8 G 5 H8 G 5 6.398 1.764 1.764 55 H1 G 5 H1 G 5 0.578 3.510 3.510 56 1H2 G 5 1H2 G 5 0.491 5.746 5.746 57 2H2 G 5 2H2 G 5 1.870 6.764 6.764 58 1H5* A 6 1H5' A 6 5.741 9.028 9.028 59 2H5* A 6 2H5' A 6 5.389 7.359 7.359 60 H4* A 6 H4' A 6 4.334 8.603 8.603 61 H3* A 6 H3' A 6 3.418 9.082 9.082 62 1H2* A 6 1H2' A 6 1.269 7.424 7.424 63 2H2* A 6 2H2' A 6 2.855 6.782 6.782 64 H1* A 6 H1' A 6 1.828 6.795 6.795 65 H8 A 6 H8 A 6 4.301 4.428 4.428 66 1H6 A 6 1H6 A 6 -0.286 0.249 0.249 67 2H6 A 6 2H6 A 6 1.406 0.436 0.436 68 H2 A 6 H2 A 6 -1.847 4.394 4.394 69 1H5* G 7 1H5' G 7 -1.292 9.695 9.695 70 2H5* G 7 2H5' G 7 -1.407 10.986 10.986 71 H4* G 7 H4' G 7 -2.891 9.134 9.134 72 H3* G 7 H3' G 7 -0.715 9.938 9.938 73 1H2* G 7 1H2' G 7 -1.430 7.553 7.553 74 2H2* G 7 2H2' G 7 0.017 7.706 7.706 75 H1* G 7 H1' G 7 -2.784 6.894 6.894 76 H8 G 7 H8 G 7 1.025 5.862 5.862 77 H1 G 7 H1 G 7 -3.074 1.047 1.047 78 1H2 G 7 1H2 G 7 -5.152 1.792 1.792 79 2H2 G 7 2H2 G 7 -5.557 3.492 3.492 80 1H5* A 8 1H5' A 8 -4.375 8.213 8.213 81 2H5* A 8 2H5' A 8 -2.929 7.787 7.787 82 H4* A 8 H4' A 8 -5.308 7.857 7.857 83 H3* A 8 H3' A 8 -5.976 6.821 6.821 84 1H2* A 8 1H2' A 8 -5.681 4.239 4.239 85 2H2* A 8 2H2' A 8 -4.262 5.149 5.149 86 H1* A 8 H1' A 8 -4.978 4.731 4.731 87 H8 A 8 H8 A 8 -1.603 5.637 5.637 88 1H6 A 8 1H6 A 8 0.095 -0.299 -0.299 89 2H6 A 8 2H6 A 8 0.632 1.336 1.336 90 H2 A 8 H2 A 8 -4.297 -0.086 -0.086 91 1H5* G 9 1H5' G 9 -8.164 3.433 3.433 92 2H5* G 9 2H5' G 9 -9.699 3.350 3.350 93 H4* G 9 H4' G 9 -8.587 1.216 1.216 94 H3* G 9 H3' G 9 -8.979 2.781 2.781 95 1H2* G 9 1H2' G 9 -7.296 0.762 0.762 96 2H2* G 9 2H2' G 9 -6.809 2.401 2.401 97 H1* G 9 H1' G 9 -6.735 0.011 0.011 98 H8 G 9 H8 G 9 -4.505 3.155 3.155 99 H1 G 9 H1 G 9 -1.471 -2.498 -2.498 100 1H2 G 9 1H2 G 9 -2.945 -4.142 -4.142 101 2H2 G 9 2H2 G 9 -4.653 -3.824 -3.824 102 1H5* A 10 1H5' A 10 -8.678 -1.709 -1.709 103 2H5* A 10 2H5' A 10 -9.855 -2.567 -2.567 104 H4* A 10 H4' A 10 -7.750 -3.746 -3.746 105 H3* A 10 H3' A 10 -9.006 -2.697 -2.697 106 1H2* A 10 1H2' A 10 -6.563 -2.635 -2.635 107 2H2* A 10 2H2' A 10 -7.165 -1.197 -1.197 108 H1* A 10 H1' A 10 -5.424 -3.390 -3.390 109 H8 A 10 H8 A 10 -5.501 0.432 0.432 110 1H6 A 10 1H6 A 10 0.696 -0.402 -0.402 111 2H6 A 10 2H6 A 10 -0.573 0.802 0.802 112 H2 A 10 H2 A 10 -1.399 -4.367 -4.367 113 1H5* C 11 1H5' C 11 -6.590 -6.872 -6.872 114 2H5* C 11 2H5' C 11 -7.290 -7.925 -7.925 115 H4* C 11 H4' C 11 -4.832 -8.339 -8.339 116 H3* C 11 H3' C 11 -6.072 -7.717 -7.717 117 1H2* C 11 1H2' C 11 -3.526 -7.123 -7.123 118 2H2* C 11 2H2' C 11 -4.826 -5.932 -5.932 119 H1* C 11 H1' C 11 -2.600 -6.984 -6.984 120 1H4 C 11 1H4 C 11 -2.510 -0.266 -0.266 121 2H4 C 11 2H4 C 11 -0.847 -0.805 -0.805 122 H5 C 11 H5 C 11 -4.400 -1.829 -1.829 123 H6 C 11 H6 C 11 -4.977 -4.160 -4.160 124 1H5* G 12 1H5' G 12 -1.928 -10.109 -10.109 125 2H5* G 12 2H5' G 12 -2.149 -11.367 -11.367 126 H4* G 12 H4' G 12 0.084 -10.348 -10.348 127 H3* G 12 H3' G 12 -1.647 -10.645 -10.645 128 1H2* G 12 1H2' G 12 -0.311 -8.461 -8.461 129 2H2* G 12 2H2' G 12 -1.916 -8.336 -8.336 130 H1* G 12 H1' G 12 0.845 -7.894 -7.894 131 H8 G 12 H8 G 12 -2.821 -6.536 -6.536 132 H1 G 12 H1 G 12 1.720 -2.065 -2.065 133 1H2 G 12 1H2 G 12 3.744 -3.042 -3.042 134 2H2 G 12 2H2 G 12 3.940 -4.773 -4.773 135 1H5* T 13 1H5' T 13 2.838 -9.546 -9.546 136 2H5* T 13 2H5' T 13 3.744 -10.445 -10.445 137 H4* T 13 H4' T 13 4.771 -8.270 -8.270 138 H3* T 13 H3' T 13 3.816 -9.146 -9.146 139 1H2* T 13 1H2' T 13 4.005 -6.413 -6.413 140 2H2* T 13 2H2' T 13 2.449 -7.276 -7.276 141 H1* T 13 H1' T 13 4.300 -5.752 -5.752 142 H3 T 13 H3 T 13 1.603 -2.018 -2.018 143 1H5M T 13 1H5M T 13 -1.750 -5.312 -5.312 144 2H5M T 13 2H5M T 13 -2.262 -4.696 -4.696 145 3H5M T 13 3H5M T 13 -1.615 -6.339 -6.339 146 H6 T 13 H6 T 13 0.753 -6.706 -6.706 147 1H5* A 14 1H5' A3' 14 7.104 -5.720 -5.720 148 2H5* A 14 2H5' A3' 14 8.296 -6.194 -6.194 149 H4* A 14 H4' A3' 14 7.748 -3.826 -3.826 150 H3* A 14 H3' A3' 14 7.668 -5.643 -5.643 151 1H2* A 14 1H2' A3' 14 5.500 -4.487 -4.487 152 2H2* A 14 2H2' A3' 14 5.292 -5.830 -5.830 153 H1* A 14 H1' A3' 14 5.275 -2.844 -2.844 154 H8 A 14 H8 A3' 14 3.090 -5.845 -5.845 155 1H6 A 14 1H6 A3' 14 -1.474 -2.132 -2.132 156 2H6 A 14 2H6 A3' 14 -1.125 -3.708 -3.708 157 H2 A 14 H2 A3' 14 2.424 0.025 0.025 158 1H5* T 1 1H5' T5' 15 -1.369 7.464 7.464 159 2H5* T 1 2H5' T5' 15 -1.181 8.422 8.422 160 H4* T 1 H4' T5' 15 0.277 6.372 6.372 161 H3* T 1 H3' T5' 15 -1.631 6.955 6.955 162 1H2* T 1 1H2' T5' 15 -0.904 4.342 4.342 163 2H2* T 1 2H2' T5' 15 -2.473 4.811 4.811 164 H1* T 1 H1' T5' 15 0.133 4.065 4.065 165 H3 T 1 H3 T5' 15 -0.622 -0.315 -0.315 166 1H5M T 1 1H5M T5' 15 -5.365 0.970 0.970 167 2H5M T 1 2H5M T5' 15 -5.383 2.022 2.022 168 3H5M T 1 3H5M T5' 15 -5.130 0.279 0.279 169 H6 T 1 H6 T5' 15 -3.492 3.406 3.406 170 H5T T 1 H5' T5' 15 -3.083 7.420 7.420 171 1H5* A 2 1H5' A 16 2.965 7.162 7.162 172 2H5* A 2 2H5' A 16 3.864 8.441 8.441 173 H4* A 2 H4' A 16 5.363 6.638 6.638 174 H3* A 2 H3' A 16 5.202 7.507 7.507 175 1H2* A 2 1H2' A 16 5.139 4.992 4.992 176 2H2* A 2 2H2' A 16 3.637 5.868 5.868 177 H1* A 2 H1' A 16 5.096 3.744 3.744 178 H8 A 2 H8 A 16 1.572 4.970 4.970 179 1H6 A 2 1H6 A 16 -0.203 -0.839 -0.839 180 2H6 A 2 2H6 A 16 -0.694 0.708 0.708 181 H2 A 2 H2 A 16 4.072 -0.367 -0.367 182 1H5* C 3 1H5' C 17 8.034 3.695 3.695 183 2H5* C 3 2H5' C 17 9.462 3.776 3.776 184 H4* C 3 H4' C 17 8.710 1.471 1.471 185 H3* C 3 H3' C 17 8.723 2.723 2.723 186 1H2* C 3 1H2' C 17 7.536 0.430 0.430 187 2H2* C 3 2H2' C 17 6.777 2.086 2.086 188 H1* C 3 H1' C 17 6.971 -0.162 -0.162 189 1H4 C 3 1H4 C 17 0.567 1.112 1.112 190 2H4 C 3 2H4 C 17 0.628 -0.580 -0.580 191 H5 C 3 H5 C 17 2.545 2.591 2.591 192 H6 C 3 H6 C 17 4.890 2.691 2.691 193 1H5* G 4 1H5' G 18 9.710 -1.921 -1.921 194 2H5* G 4 2H5' G 18 10.890 -2.305 -2.305 195 H4* G 4 H4' G 18 9.067 -3.949 -3.949 196 H3* G 4 H3' G 18 9.561 -2.385 -2.385 197 1H2* G 4 1H2' G 18 7.264 -3.614 -3.614 198 2H2* G 4 2H2' G 18 7.505 -1.920 -1.920 199 H1* G 4 H1' G 18 6.614 -4.260 -4.260 200 H8 G 4 H8 G 18 6.084 -0.448 -0.448 201 H1 G 4 H1 G 18 0.657 -3.828 -3.828 202 1H2 G 4 1H2 G 18 1.137 -5.996 -5.996 203 2H2 G 4 2H2 G 18 2.784 -6.583 -6.583 204 1H5* T 5 1H5' T 19 7.694 -6.523 -6.523 205 2H5* T 5 2H5' T 19 8.275 -7.675 -7.675 206 H4* T 5 H4' T 19 5.841 -7.874 -7.874 207 H3* T 5 H3' T 19 7.035 -7.358 -7.358 208 1H2* T 5 1H2' T 19 4.436 -6.722 -6.722 209 2H2* T 5 2H2' T 19 5.729 -5.539 -5.539 210 H1* T 5 H1' T 19 3.649 -6.602 -6.602 211 H3 T 5 H3 T 19 1.129 -2.736 -2.736 212 1H5M T 5 1H5M T 19 5.278 -0.783 -0.783 213 2H5M T 5 2H5M T 19 5.133 -0.176 -0.176 214 3H5M T 5 3H5M T 19 6.355 -1.389 -1.389 215 H6 T 5 H6 T 19 5.791 -3.664 -3.664 216 1H5* C 6 1H5' C 20 2.819 -9.525 -9.525 217 2H5* C 6 2H5' C 20 2.587 -10.633 -10.633 218 H4* C 6 H4' C 20 0.609 -9.174 -9.174 219 H3* C 6 H3' C 20 2.139 -8.885 -8.885 220 1H2* C 6 1H2' C 20 -0.347 -7.355 -7.355 221 2H2* C 6 2H2' C 20 1.348 -6.856 -6.856 222 H1* C 6 H1' C 20 -0.271 -6.834 -6.834 223 1H4 C 6 1H4 C 20 3.078 -1.073 -1.073 224 2H4 C 6 2H4 C 20 1.393 -0.643 -0.643 225 H5 C 6 H5 C 20 3.846 -3.448 -3.448 226 H6 C 6 H6 C 20 3.127 -5.730 -5.730 227 1H5* T 7 1H5' T 21 -2.422 -9.178 -9.178 228 2H5* T 7 2H5' T 21 -3.124 -10.141 -10.141 229 H4* T 7 H4' T 21 -4.493 -8.152 -8.152 230 H3* T 7 H3' T 21 -3.470 -8.744 -8.744 231 1H2* T 7 1H2' T 21 -3.792 -6.223 -6.223 232 2H2* T 7 2H2' T 21 -2.326 -7.067 -7.067 233 H1* T 7 H1' T 21 -4.256 -5.442 -5.442 234 H3 T 7 H3 T 21 -1.735 -1.575 -1.575 235 1H5M T 7 1H5M T 21 1.609 -5.828 -5.828 236 2H5M T 7 2H5M T 21 2.036 -4.225 -4.225 237 3H5M T 7 3H5M T 21 2.125 -4.556 -4.556 238 H6 T 7 H6 T 21 -0.634 -6.241 -6.241 239 1H5* C 8 1H5' C 22 -7.100 -5.940 -5.940 240 2H5* C 8 2H5' C 22 -8.353 -6.217 -6.217 241 H4* C 8 H4' C 22 -8.025 -3.812 -3.812 242 H3* C 8 H3' C 22 -7.803 -4.932 -4.932 243 1H2* C 8 1H2' C 22 -6.766 -2.421 -2.421 244 2H2* C 8 2H2' C 22 -5.820 -3.930 -3.930 245 H1* C 8 H1' C 22 -6.430 -1.882 -1.882 246 1H4 C 8 1H4 C 22 0.223 -2.403 -2.403 247 2H4 C 8 2H4 C 22 -0.117 -0.699 -0.699 248 H5 C 8 H5 C 22 -1.551 -4.080 -4.080 249 H6 C 8 H6 C 22 -3.917 -4.491 -4.491 250 1H5* T 9 1H5' T 23 -10.280 -0.588 -0.588 251 2H5* T 9 2H5' T 23 -8.598 -1.045 -1.045 252 H4* T 9 H4' T 23 -9.553 1.335 1.335 253 H3* T 9 H3' T 23 -9.399 1.179 1.179 254 1H2* T 9 1H2' T 23 -6.870 2.149 2.149 255 2H2* T 9 2H2' T 23 -7.104 0.419 0.419 256 H1* T 9 H1' T 23 -6.538 2.519 2.519 257 H3 T 9 H3 T 23 -2.130 1.388 1.388 258 1H5M T 9 1H5M T 23 -4.975 -3.174 -3.174 259 2H5M T 9 2H5M T 23 -3.615 -2.900 -2.900 260 3H5M T 9 3H5M T 23 -3.309 -3.209 -3.209 261 H6 T 9 H6 T 23 -6.132 -1.141 -1.141 262 1H5* C 10 1H5' C 24 -7.460 5.387 5.387 263 2H5* C 10 2H5' C 24 -8.413 6.530 6.530 264 H4* C 10 H4' C 24 -6.280 7.524 7.524 265 H3* C 10 H3' C 24 -7.230 6.917 6.917 266 1H2* C 10 1H2' C 24 -4.666 7.006 7.006 267 2H2* C 10 2H2' C 24 -5.579 5.481 5.481 268 H1* C 10 H1' C 24 -3.674 7.036 7.036 269 1H4 C 10 1H4 C 24 -1.780 0.621 0.621 270 2H4 C 10 2H4 C 24 -0.314 1.573 1.573 271 H5 C 10 H5 C 24 -4.002 1.599 1.599 272 H6 C 10 H6 C 24 -5.197 3.699 3.699 273 1H5* A 11 1H5' A 25 -3.668 9.880 9.880 274 2H5* A 11 2H5' A 25 -4.014 11.209 11.209 275 H4* A 11 H4' A 25 -1.776 10.241 10.241 276 H3* A 11 H3' A 25 -3.885 10.270 10.270 277 1H2* A 11 1H2' A 25 -1.827 8.701 8.701 278 2H2* A 11 2H2' A 25 -3.464 8.145 8.145 279 H1* A 11 H1' A 25 -0.809 8.167 8.167 280 H8 A 11 H8 A 25 -4.075 6.037 6.037 281 1H6 A 11 1H6 A 25 -0.407 1.105 1.105 282 2H6 A 11 2H6 A 25 -2.029 1.653 1.653 283 H2 A 11 H2 A 25 2.081 4.774 4.774 284 1H5* G 12 1H5' G 26 0.650 10.906 10.906 285 2H5* G 12 2H5' G 26 1.183 11.744 11.744 286 H4* G 12 H4' G 26 2.553 9.742 9.742 287 H3* G 12 H3' G 26 1.318 10.045 10.045 288 1H2* G 12 1H2' G 26 2.300 7.498 7.498 289 2H2* G 12 2H2' G 26 0.578 7.977 7.977 290 H1* G 12 H1' G 26 2.569 7.173 7.173 291 H8 G 12 H8 G 26 -1.128 7.000 7.000 292 H1 G 12 H1 G 26 1.619 1.300 1.300 293 1H2 G 12 1H2 G 26 3.800 1.611 1.611 294 2H2 G 12 2H2 G 26 4.528 3.200 3.200 295 1H5* T 13 1H5' T 27 5.472 7.981 7.981 296 2H5* T 13 2H5' T 27 6.652 8.533 8.533 297 H4* T 13 H4' T 27 7.112 6.250 6.250 298 H3* T 13 H3' T 27 7.169 7.024 7.024 299 1H2* T 13 1H2' T 27 6.198 4.619 4.619 300 2H2* T 13 2H2' T 27 5.149 6.005 6.005 301 H1* T 13 H1' T 27 5.903 3.741 3.741 302 H3 T 13 H3 T 27 1.854 1.559 1.559 303 1H5M T 13 1H5M T 27 1.050 6.678 6.678 304 2H5M T 13 2H5M T 27 0.177 5.379 5.379 305 3H5M T 13 3H5M T 27 -0.244 5.820 5.820 306 H6 T 13 H6 T 27 3.177 6.005 6.005 307 1H5* C 14 1H5' C3' 28 8.373 2.561 2.561 308 2H5* C 14 2H5' C3' 28 9.753 2.049 2.049 309 H4* C 14 H4' C3' 28 8.135 0.230 0.230 310 H3* C 14 H3' C3' 28 8.939 1.232 1.232 311 1H2* C 14 1H2' C3' 28 6.748 -0.208 -0.208 312 2H2* C 14 2H2' C3' 28 6.737 1.566 1.566 313 H1* C 14 H1' C3' 28 5.977 -0.565 -0.565 314 1H4 C 14 1H4 C3' 28 0.467 2.962 2.962 315 2H4 C 14 2H4 C3' 28 -0.033 1.302 1.302 316 H5 C 14 H5 C3' 28 2.833 3.683 3.683 317 H6 C 14 H6 C3' 28 5.069 2.931 2.931 318 1H5* C 1 1H5' C5' 29 7.076 -8.292 -8.292 319 2H5* C 1 2H5' C5' 29 5.429 -7.724 -7.724 320 H4* C 1 H4' C5' 29 7.930 -6.907 -6.907 321 H3* C 1 H3' C5' 29 6.396 -5.474 -5.474 322 1H2* C 1 1H2' C5' 29 8.223 -4.142 -4.142 323 2H2* C 1 2H2' C5' 29 6.775 -3.559 -3.559 324 H1* C 1 H1' C5' 29 6.749 -4.579 -4.579 325 H3 C 1 H3 C5' 29 4.276 -0.654 -0.654 326 1H4 C 1 1H4 C5' 29 1.006 -1.787 -1.787 327 2H4 C 1 2H4 C5' 29 2.019 -0.408 -0.408 328 H5 C 1 H5 C5' 29 1.883 -4.043 -4.043 329 H6 C 1 H6 C5' 29 3.882 -5.472 -5.472 330 H5T C 1 H5' C5' 29 5.913 -9.735 -9.735 331 1H5* T 2 1H5' T 30 9.911 -3.130 -3.130 332 2H5* T 2 2H5' T 30 10.851 -3.250 -3.250 333 H4* T 2 H4' T 30 10.632 -0.919 -0.919 334 H3* T 2 H3' T 30 10.068 -1.874 -1.874 335 1H2* T 2 1H2' T 30 8.084 0.022 0.022 336 2H2* T 2 2H2' T 30 7.731 -1.643 -1.643 337 H1* T 2 H1' T 30 8.097 0.839 0.839 338 H3 T 2 H3 T 30 3.556 1.053 1.053 339 1H5M T 2 1H5M T 30 4.486 -3.963 -3.963 340 2H5M T 2 2H5M T 30 3.181 -3.634 -3.634 341 3H5M T 2 3H5M T 30 4.822 -3.978 -3.978 342 H6 T 2 H6 T 30 6.557 -2.592 -2.592 343 1H5* C 3 1H5' C 31 10.142 3.013 3.013 344 2H5* C 3 2H5' C 31 10.793 3.619 3.619 345 H4* C 3 H4' C 31 8.974 5.045 5.045 346 H3* C 3 H3' C 31 8.120 3.121 3.121 347 1H2* C 3 1H2' C 31 6.609 5.623 5.623 348 2H2* C 3 2H2' C 31 6.086 4.003 4.003 349 H1* C 3 H1' C 31 6.260 5.152 5.152 350 H3 C 3 H3 C 31 2.062 3.160 3.160 351 1H4 C 3 1H4 C 31 2.277 -0.263 -0.263 352 2H4 C 3 2H4 C 31 1.240 1.066 1.066 353 H5 C 3 H5 C 31 4.713 0.028 0.028 354 H6 C 3 H6 C 31 6.513 1.663 1.663 355 1H5* T 4 1H5' T 32 7.617 7.490 7.490 356 2H5* T 4 2H5' T 32 8.016 8.178 8.178 357 H4* T 4 H4' T 32 5.843 8.991 8.991 358 H3* T 4 H3' T 32 6.342 8.116 8.116 359 1H2* T 4 1H2' T 32 3.656 7.429 7.429 360 2H2* T 4 2H2' T 32 4.979 6.280 6.280 361 H1* T 4 H1' T 32 3.113 7.510 7.510 362 H3 T 4 H3 T 32 1.074 3.454 3.454 363 1H5M T 4 1H5M T 32 5.281 1.792 1.792 364 2H5M T 4 2H5M T 32 5.186 1.180 1.180 365 3H5M T 4 3H5M T 32 6.287 2.495 2.495 366 H6 T 4 H6 T 32 5.464 4.677 4.677 367 1H5* C 5 1H5' C 33 2.371 10.450 10.450 368 2H5* C 5 2H5' C 33 1.943 11.527 11.527 369 H4* C 5 H4' C 33 -0.035 10.364 10.364 370 H3* C 5 H3' C 33 0.855 9.886 9.886 371 1H2* C 5 1H2' C 33 -1.482 8.345 8.345 372 2H2* C 5 2H2' C 33 0.118 7.689 7.689 373 H1* C 5 H1' C 33 -1.282 8.154 8.154 374 H3 C 5 H3 C 33 -1.633 3.482 3.482 375 1H4 C 5 1H4 C 33 1.330 1.957 1.957 376 2H4 C 5 2H4 C 33 -0.260 1.709 1.709 377 H5 C 5 H5 C 33 2.222 4.173 4.173 378 H6 C 5 H6 C 33 1.739 6.560 6.560 379 1H5* T 6 1H5' T3' 34 -3.419 10.043 10.043 380 2H5* T 6 2H5' T3' 34 -4.573 10.854 10.854 381 H4* T 6 H4' T3' 34 -5.511 8.750 8.750 382 H3* T 6 H3' T3' 34 -5.401 9.353 9.353 383 1H2* T 6 1H2' T3' 34 -5.413 6.668 6.668 384 2H2* T 6 2H2' T3' 34 -3.894 7.609 7.609 385 H1* T 6 H1' T3' 34 -5.301 6.137 6.137 386 H3 T 6 H3 T3' 34 -2.752 2.341 2.341 387 1H5M T 6 1H5M T3' 34 0.996 4.942 4.942 388 2H5M T 6 2H5M T3' 34 0.222 6.317 6.317 389 3H5M T 6 3H5M T3' 34 0.219 4.713 4.713 390 H6 T 6 H6 T3' 34 -1.948 6.834 6.834 Start of MODEL 3 1 1H5* G 1 1H5' G5' 1 -7.427 -6.015 -6.015 2 2H5* G 1 2H5' G5' 1 -8.128 -6.867 -6.867 3 H4* G 1 H4' G5' 1 -5.770 -7.472 -7.472 4 H3* G 1 H3' G5' 1 -6.860 -6.703 -6.703 5 1H2* G 1 1H2' G5' 1 -4.622 -5.348 -5.348 6 2H2* G 1 2H2' G5' 1 -5.909 -4.508 -4.508 7 H1* G 1 H1' G5' 1 -3.416 -5.820 -5.820 8 H8 G 1 H8 G5' 1 -5.718 -2.677 -2.677 9 H1 G 1 H1 G5' 1 0.577 -1.438 -1.438 10 1H2 G 1 1H2 G5' 1 1.738 -3.344 -3.344 11 2H2 G 1 2H2 G5' 1 0.959 -4.898 -4.898 12 H5T G 1 H5' G5' 1 -8.672 -4.647 -4.647 13 1H5* A 2 1H5' A 2 -2.259 -7.933 -7.933 14 2H5* A 2 2H5' A 2 -1.989 -9.123 -9.123 15 H4* A 2 H4' A 2 0.028 -7.843 -7.843 16 H3* A 2 H3' A 2 -1.272 -8.074 -8.074 17 1H2* A 2 1H2' A 2 -0.395 -5.617 -5.617 18 2H2* A 2 2H2' A 2 -1.951 -5.793 -5.793 19 H1* A 2 H1' A 2 0.752 -5.250 -5.250 20 H8 A 2 H8 A 2 -2.960 -4.000 -4.000 21 1H6 A 2 1H6 A 2 -0.660 1.655 1.655 22 2H6 A 2 2H6 A 2 -2.112 0.711 0.711 23 H2 A 2 H2 A 2 2.764 -1.215 -1.215 24 1H5* C 3 1H5' C 3 3.423 -7.063 -7.063 25 2H5* C 3 2H5' C 3 4.242 -7.846 -7.846 26 H4* C 3 H4' C 3 5.427 -5.819 -5.819 27 H3* C 3 H3' C 3 4.560 -6.274 -6.274 28 1H2* C 3 1H2' C 3 4.871 -3.566 -3.566 29 2H2* C 3 2H2' C 3 3.305 -4.407 -4.407 30 H1* C 3 H1' C 3 4.949 -2.998 -2.998 31 1H4 C 3 1H4 C 3 -1.404 -0.728 -0.728 32 2H4 C 3 2H4 C 3 -0.404 0.688 0.688 33 H5 C 3 H5 C 3 -0.498 -3.005 -3.005 34 H6 C 3 H6 C 3 1.562 -4.314 -4.314 35 1H5* T 4 1H5' T 4 8.070 -3.058 -3.058 36 2H5* T 4 2H5' T 4 9.191 -3.232 -3.232 37 H4* T 4 H4' T 4 8.608 -0.878 -0.878 38 H3* T 4 H3' T 4 7.931 -2.134 -2.134 39 1H2* T 4 1H2' T 4 7.066 0.589 0.589 40 2H2* T 4 2H2' T 4 6.010 -0.840 -0.840 41 H1* T 4 H1' T 4 6.699 0.886 0.886 42 H3 T 4 H3 T 4 2.238 2.062 2.062 43 1H5M T 4 1H5M T 4 2.606 -3.129 -3.129 44 2H5M T 4 2H5M T 4 1.126 -2.153 -2.153 45 3H5M T 4 3H5M T 4 1.531 -2.778 -2.778 46 H6 T 4 H6 T 4 4.554 -2.107 -2.107 47 1H5* G 5 1H5' G 5 9.763 2.081 2.081 48 2H5* G 5 2H5' G 5 10.952 2.141 2.141 49 H4* G 5 H4' G 5 9.669 4.219 4.219 50 H3* G 5 H3' G 5 10.029 2.731 2.731 51 1H2* G 5 1H2' G 5 7.596 3.651 3.651 52 2H2* G 5 2H2' G 5 7.861 2.060 2.060 53 H1* G 5 H1' G 5 6.774 4.575 4.575 54 H8 G 5 H8 G 5 6.462 0.627 0.627 55 H1 G 5 H1 G 5 1.112 3.692 3.692 56 1H2 G 5 1H2 G 5 1.517 5.885 5.885 57 2H2 G 5 2H2 G 5 3.099 6.569 6.569 58 1H5* A 6 1H5' A 6 7.868 7.715 7.715 59 2H5* A 6 2H5' A 6 7.132 6.162 6.162 60 H4* A 6 H4' A 6 6.317 7.734 7.734 61 H3* A 6 H3' A 6 5.616 8.270 8.270 62 1H2* A 6 1H2' A 6 3.101 7.256 7.256 63 2H2* A 6 2H2' A 6 4.468 6.224 6.224 64 H1* A 6 H1' A 6 3.474 6.553 6.553 65 H8 A 6 H8 A 6 5.333 3.640 3.640 66 1H6 A 6 1H6 A 6 -0.089 0.657 0.657 67 2H6 A 6 2H6 A 6 1.597 0.445 0.445 68 H2 A 6 H2 A 6 -0.643 5.059 5.059 69 1H5* G 7 1H5' G 7 1.262 9.976 9.976 70 2H5* G 7 2H5' G 7 1.313 11.276 11.276 71 H4* G 7 H4' G 7 -0.556 9.817 9.817 72 H3* G 7 H3' G 7 1.634 10.065 10.065 73 1H2* G 7 1H2' G 7 0.360 7.871 7.871 74 2H2* G 7 2H2' G 7 1.834 7.713 7.713 75 H1* G 7 H1' G 7 -1.044 7.595 7.595 76 H8 G 7 H8 G 7 2.425 5.719 5.719 77 H1 G 7 H1 G 7 -2.661 1.967 1.967 78 1H2 G 7 1H2 G 7 -4.512 3.167 3.167 79 2H2 G 7 2H2 G 7 -4.520 4.913 4.913 80 1H5* A 8 1H5' A 8 -2.335 9.010 9.010 81 2H5* A 8 2H5' A 8 -1.043 8.346 8.346 82 H4* A 8 H4' A 8 -3.391 8.929 8.929 83 H3* A 8 H3' A 8 -4.236 8.067 8.067 84 1H2* A 8 1H2' A 8 -4.528 5.485 5.485 85 2H2* A 8 2H2' A 8 -2.940 6.064 6.064 86 H1* A 8 H1' A 8 -3.753 5.801 5.801 87 H8 A 8 H8 A 8 -0.247 5.961 5.961 88 1H6 A 8 1H6 A 8 0.121 -0.205 -0.205 89 2H6 A 8 2H6 A 8 0.995 1.273 1.273 90 H2 A 8 H2 A 8 -4.115 0.950 0.950 91 1H5* G 9 1H5' G 9 -7.203 5.264 5.264 92 2H5* G 9 2H5' G 9 -8.683 5.519 5.519 93 H4* G 9 H4' G 9 -8.043 3.187 3.187 94 H3* G 9 H3' G 9 -8.049 4.772 4.772 95 1H2* G 9 1H2' G 9 -6.819 2.420 2.420 96 2H2* G 9 2H2' G 9 -5.998 3.924 3.924 97 H1* G 9 H1' G 9 -6.462 1.609 1.609 98 H8 G 9 H8 G 9 -3.612 4.206 4.206 99 H1 G 9 H1 G 9 -1.866 -1.965 -1.965 100 1H2 G 9 1H2 G 9 -3.667 -3.254 -3.254 101 2H2 G 9 2H2 G 9 -5.265 -2.571 -2.571 102 1H5* A 10 1H5' A 10 -8.655 0.323 0.323 103 2H5* A 10 2H5' A 10 -9.975 -0.294 -0.294 104 H4* A 10 H4' A 10 -8.156 -1.875 -1.875 105 H3* A 10 H3' A 10 -9.146 -0.616 -0.616 106 1H2* A 10 1H2' A 10 -6.733 -1.075 -1.075 107 2H2* A 10 2H2' A 10 -7.028 0.464 0.464 108 H1* A 10 H1' A 10 -5.798 -2.036 -2.036 109 H8 A 10 H8 A 10 -5.069 1.712 1.712 110 1H6 A 10 1H6 A 10 0.820 -0.396 -0.396 111 2H6 A 10 2H6 A 10 -0.172 1.043 1.043 112 H2 A 10 H2 A 10 -2.073 -3.840 -3.840 113 1H5* C 11 1H5' C 11 -7.619 -5.195 -5.195 114 2H5* C 11 2H5' C 11 -8.535 -6.096 -6.096 115 H4* C 11 H4' C 11 -6.219 -7.019 -7.019 116 H3* C 11 H3' C 11 -7.328 -6.177 -6.177 117 1H2* C 11 1H2' C 11 -4.715 -6.122 -6.122 118 2H2* C 11 2H2' C 11 -5.731 -4.682 -4.682 119 H1* C 11 H1' C 11 -3.762 -6.173 -6.173 120 1H4 C 11 1H4 C 11 -2.271 0.377 0.377 121 2H4 C 11 2H4 C 11 -0.758 -0.498 -0.498 122 H5 C 11 H5 C 11 -4.441 -0.755 -0.755 123 H6 C 11 H6 C 11 -5.495 -2.910 -2.910 124 1H5* G 12 1H5' G 12 -3.780 -9.406 -9.406 125 2H5* G 12 2H5' G 12 -4.269 -10.586 -10.586 126 H4* G 12 H4' G 12 -1.864 -10.046 -10.046 127 H3* G 12 H3' G 12 -3.618 -10.023 -10.023 128 1H2* G 12 1H2' G 12 -1.890 -8.148 -8.148 129 2H2* G 12 2H2' G 12 -3.438 -7.710 -7.710 130 H1* G 12 H1' G 12 -0.640 -7.800 -7.800 131 H8 G 12 H8 G 12 -3.976 -5.758 -5.758 132 H1 G 12 H1 G 12 1.334 -2.242 -2.242 133 1H2 G 12 1H2 G 12 3.132 -3.584 -3.584 134 2H2 G 12 2H2 G 12 2.996 -5.321 -5.321 135 1H5* T 13 1H5' T 13 0.998 -9.802 -9.802 136 2H5* T 13 2H5' T 13 1.719 -10.849 -10.849 137 H4* T 13 H4' T 13 3.122 -8.889 -8.889 138 H3* T 13 H3' T 13 1.992 -9.566 -9.566 139 1H2* T 13 1H2' T 13 2.753 -6.920 -6.920 140 2H2* T 13 2H2' T 13 1.050 -7.458 -7.458 141 H1* T 13 H1' T 13 3.135 -6.342 -6.342 142 H3 T 13 H3 T 13 1.200 -2.159 -2.159 143 1H5M T 13 1H5M T 13 -2.706 -4.756 -4.756 144 2H5M T 13 2H5M T 13 -3.103 -4.056 -4.056 145 3H5M T 13 3H5M T 13 -2.777 -5.792 -5.792 146 H6 T 13 H6 T 13 -0.520 -6.601 -6.601 147 1H5* A 14 1H5' A3' 14 5.910 -6.896 -6.896 148 2H5* A 14 2H5' A3' 14 6.994 -7.589 -7.589 149 H4* A 14 H4' A3' 14 6.952 -5.151 -5.151 150 H3* A 14 H3' A3' 14 6.550 -6.877 -6.877 151 1H2* A 14 1H2' A3' 14 4.696 -5.275 -5.275 152 2H2* A 14 2H2' A3' 14 4.196 -6.579 -6.579 153 H1* A 14 H1' A3' 14 4.734 -3.658 -3.658 154 H8 A 14 H8 A3' 14 2.037 -6.204 -6.204 155 1H6 A 14 1H6 A3' 14 -1.793 -1.724 -1.724 156 2H6 A 14 2H6 A3' 14 -1.731 -3.333 -3.333 157 H2 A 14 H2 A3' 14 2.430 -0.328 -0.328 158 1H5* T 1 1H5' T5' 15 0.017 7.662 7.662 159 2H5* T 1 2H5' T5' 15 0.431 8.588 8.588 160 H4* T 1 H4' T5' 15 1.467 6.314 6.314 161 H3* T 1 H3' T5' 15 -0.338 7.246 7.246 162 1H2* T 1 1H2' T5' 15 -0.094 4.548 4.548 163 2H2* T 1 2H2' T5' 15 -1.545 5.285 5.285 164 H1* T 1 H1' T5' 15 0.901 4.074 4.074 165 H3 T 1 H3 T5' 15 -0.637 -0.105 -0.105 166 1H5M T 1 1H5M T5' 15 -4.905 3.090 3.090 167 2H5M T 1 2H5M T5' 15 -4.985 1.332 1.332 168 3H5M T 1 3H5M T5' 15 -5.052 2.037 2.037 169 H6 T 1 H6 T5' 15 -2.785 4.098 4.098 170 H5T T 1 H5' T5' 15 -1.974 7.146 7.146 171 1H5* A 2 1H5' A 16 4.220 6.605 6.605 172 2H5* A 2 2H5' A 16 5.335 7.707 7.707 173 H4* A 2 H4' A 16 6.482 5.657 5.657 174 H3* A 2 H3' A 16 6.459 6.566 6.566 175 1H2* A 2 1H2' A 16 5.930 4.113 4.113 176 2H2* A 2 2H2' A 16 4.617 5.245 5.245 177 H1* A 2 H1' A 16 5.683 2.876 2.876 178 H8 A 2 H8 A 16 2.426 4.731 4.731 179 1H6 A 2 1H6 A 16 -0.358 -0.672 -0.672 180 2H6 A 2 2H6 A 16 -0.564 0.947 0.947 181 H2 A 2 H2 A 16 3.946 -1.000 -1.000 182 1H5* C 3 1H5' C 17 8.548 2.303 2.303 183 2H5* C 3 2H5' C 17 9.975 2.146 2.146 184 H4* C 3 H4' C 17 8.863 -0.002 -0.002 185 H3* C 3 H3' C 17 9.050 1.261 1.261 186 1H2* C 3 1H2' C 17 7.536 -0.848 -0.848 187 2H2* C 3 2H2' C 17 7.025 0.898 0.898 188 H1* C 3 H1' C 17 6.862 -1.338 -1.338 189 1H4 C 3 1H4 C 17 0.787 1.078 1.078 190 2H4 C 3 2H4 C 17 0.542 -0.608 -0.608 191 H5 C 3 H5 C 17 2.988 2.178 2.178 192 H6 C 3 H6 C 17 5.319 1.850 1.850 193 1H5* G 4 1H5' G 18 9.254 -3.394 -3.394 194 2H5* G 4 2H5' G 18 10.391 -4.037 -4.037 195 H4* G 4 H4' G 18 8.331 -5.359 -5.359 196 H3* G 4 H3' G 18 9.101 -3.987 -3.987 197 1H2* G 4 1H2' G 18 6.652 -4.935 -4.935 198 2H2* G 4 2H2' G 18 7.154 -3.288 -3.288 199 H1* G 4 H1' G 18 5.859 -5.339 -5.339 200 H8 G 4 H8 G 18 6.056 -1.542 -1.542 201 H1 G 4 H1 G 18 0.072 -3.771 -3.771 202 1H2 G 4 1H2 G 18 0.110 -5.977 -5.977 203 2H2 G 4 2H2 G 18 1.605 -6.880 -6.880 204 1H5* T 5 1H5' T 19 7.096 -8.520 -8.520 205 2H5* T 5 2H5' T 19 6.547 -6.844 -6.844 206 H4* T 5 H4' T 19 5.160 -8.951 -8.951 207 H3* T 5 H3' T 19 5.174 -8.793 -8.793 208 1H2* T 5 1H2' T 19 2.848 -7.441 -7.441 209 2H2* T 5 2H2' T 19 4.394 -6.542 -6.542 210 H1* T 5 H1' T 19 2.434 -7.291 -7.291 211 H3 T 5 H3 T 19 0.692 -2.995 -2.995 212 1H5M T 5 1H5M T 19 5.101 -1.267 -1.267 213 2H5M T 5 2H5M T 19 6.066 -2.687 -2.687 214 3H5M T 5 3H5M T 19 5.108 -1.873 -1.873 215 H6 T 5 H6 T 19 5.061 -4.839 -4.839 216 1H5* C 6 1H5' C 20 0.556 -9.673 -9.673 217 2H5* C 6 2H5' C 20 -0.007 -10.757 -10.757 218 H4* C 6 H4' C 20 -1.452 -8.776 -8.776 219 H3* C 6 H3' C 20 0.182 -8.990 -8.990 220 1H2* C 6 1H2' C 20 -1.883 -6.917 -6.917 221 2H2* C 6 2H2' C 20 -0.122 -6.848 -6.848 222 H1* C 6 H1' C 20 -1.671 -6.393 -6.393 223 1H4 C 6 1H4 C 20 2.887 -1.543 -1.543 224 2H4 C 6 2H4 C 20 1.350 -0.748 -0.748 225 H5 C 6 H5 C 20 3.094 -4.020 -4.020 226 H6 C 6 H6 C 20 1.887 -6.092 -6.092 227 1H5* T 7 1H5' T 21 -4.324 -8.243 -8.243 228 2H5* T 7 2H5' T 21 -5.232 -9.021 -9.021 229 H4* T 7 H4' T 21 -6.113 -6.777 -6.777 230 H3* T 7 H3' T 21 -5.333 -7.594 -7.594 231 1H2* T 7 1H2' T 21 -4.940 -5.128 -5.128 232 2H2* T 7 2H2' T 21 -3.757 -6.313 -6.313 233 H1* T 7 H1' T 21 -5.234 -4.200 -4.200 234 H3 T 7 H3 T 21 -1.872 -1.050 -1.050 235 1H5M T 7 1H5M T 21 1.197 -4.846 -4.846 236 2H5M T 7 2H5M T 21 0.369 -5.964 -5.964 237 3H5M T 7 3H5M T 21 1.140 -4.506 -4.506 238 H6 T 7 H6 T 21 -1.904 -5.837 -5.837 239 1H5* C 8 1H5' C 22 -8.146 -3.879 -3.879 240 2H5* C 8 2H5' C 22 -9.439 -3.907 -3.907 241 H4* C 8 H4' C 22 -8.652 -1.614 -1.614 242 H3* C 8 H3' C 22 -8.674 -2.854 -2.854 243 1H2* C 8 1H2' C 22 -6.960 -0.857 -0.857 244 2H2* C 8 2H2' C 22 -6.445 -2.516 -2.516 245 H1* C 8 H1' C 22 -6.602 -0.133 -0.133 246 1H4 C 8 1H4 C 22 -0.208 -2.161 -2.161 247 2H4 C 8 2H4 C 22 -0.171 -0.417 -0.417 248 H5 C 8 H5 C 22 -2.301 -3.433 -3.433 249 H6 C 8 H6 C 22 -4.691 -3.311 -3.311 250 1H5* T 9 1H5' T 23 -8.835 1.854 1.854 251 2H5* T 9 2H5' T 23 -9.986 2.545 2.545 252 H4* T 9 H4' T 23 -8.083 4.049 4.049 253 H3* T 9 H3' T 23 -8.945 3.230 3.230 254 1H2* T 9 1H2' T 23 -6.393 3.868 3.868 255 2H2* T 9 2H2' T 23 -6.875 2.215 2.215 256 H1* T 9 H1' T 23 -5.545 4.142 4.142 257 H3 T 9 H3 T 23 -1.477 2.120 2.120 258 1H5M T 9 1H5M T 23 -5.358 -1.718 -1.718 259 2H5M T 9 2H5M T 23 -4.056 -1.830 -1.830 260 3H5M T 9 3H5M T 23 -3.724 -2.137 -2.137 261 H6 T 9 H6 T 23 -5.985 0.510 0.510 262 1H5* C 10 1H5' C 24 -6.311 7.249 7.249 263 2H5* C 10 2H5' C 24 -7.033 8.462 8.462 264 H4* C 10 H4' C 24 -4.641 8.851 8.851 265 H3* C 10 H3' C 24 -5.924 8.291 8.291 266 1H2* C 10 1H2' C 24 -3.315 7.998 7.998 267 2H2* C 10 2H2' C 24 -4.515 6.667 6.667 268 H1* C 10 H1' C 24 -2.366 7.732 7.732 269 1H4 C 10 1H4 C 24 -1.935 1.065 1.065 270 2H4 C 10 2H4 C 24 -0.291 1.662 1.662 271 H5 C 10 H5 C 24 -3.911 2.541 2.541 272 H6 C 10 H6 C 24 -4.597 4.825 4.825 273 1H5* A 11 1H5' A 25 -1.961 10.719 10.719 274 2H5* A 11 2H5' A 25 -2.135 12.097 12.097 275 H4* A 11 H4' A 25 0.031 10.967 10.967 276 H3* A 11 H3' A 25 -1.873 11.432 11.432 277 1H2* A 11 1H2' A 25 -0.465 9.379 9.379 278 2H2* A 11 2H2' A 25 -2.106 9.211 9.211 279 H1* A 11 H1' A 25 0.647 8.677 8.677 280 H8 A 11 H8 A 25 -2.947 7.183 7.183 281 1H6 A 11 1H6 A 25 -0.318 1.661 1.661 282 2H6 A 11 2H6 A 25 -1.795 2.511 2.511 283 H2 A 11 H2 A 25 2.833 4.789 4.789 284 1H5* G 12 1H5' G 26 2.736 10.911 10.911 285 2H5* G 12 2H5' G 26 3.397 11.617 11.617 286 H4* G 12 H4' G 26 4.306 9.355 9.355 287 H3* G 12 H3' G 26 3.119 9.950 9.950 288 1H2* G 12 1H2' G 26 3.481 7.250 7.250 289 2H2* G 12 2H2' G 26 1.922 8.113 8.113 290 H1* G 12 H1' G 26 3.715 6.848 6.848 291 H8 G 12 H8 G 26 0.061 7.549 7.549 292 H1 G 12 H1 G 26 1.416 1.371 1.371 293 1H2 G 12 1H2 G 26 3.616 1.163 1.163 294 2H2 G 12 2H2 G 26 4.697 2.538 2.538 295 1H5* T 13 1H5' T 27 6.703 6.974 6.974 296 2H5* T 13 2H5' T 27 7.954 7.235 7.235 297 H4* T 13 H4' T 27 7.880 4.907 4.907 298 H3* T 13 H3' T 27 8.063 5.648 5.648 299 1H2* T 13 1H2' T 27 6.533 3.542 3.542 300 2H2* T 13 2H2' T 27 5.847 5.135 5.135 301 H1* T 13 H1' T 27 6.087 2.754 2.754 302 H3 T 13 H3 T 27 1.642 1.585 1.585 303 1H5M T 13 1H5M T 27 2.023 6.748 6.748 304 2H5M T 13 2H5M T 27 0.864 5.687 5.687 305 3H5M T 13 3H5M T 27 0.575 6.211 6.211 306 H6 T 13 H6 T 27 3.944 5.591 5.591 307 1H5* C 14 1H5' C3' 28 8.201 1.026 1.026 308 2H5* C 14 2H5' C3' 28 9.401 0.203 0.203 309 H4* C 14 H4' C3' 28 7.407 -1.185 -1.185 310 H3* C 14 H3' C3' 28 8.370 -0.405 -0.405 311 1H2* C 14 1H2' C3' 28 5.883 -1.281 -1.281 312 2H2* C 14 2H2' C3' 28 6.297 0.444 0.444 313 H1* C 14 H1' C3' 28 5.094 -1.449 -1.449 314 1H4 C 14 1H4 C3' 28 0.545 3.285 3.285 315 2H4 C 14 2H4 C3' 28 -0.330 1.791 1.791 316 H5 C 14 H5 C3' 28 3.018 3.424 3.424 317 H6 C 14 H6 C3' 28 5.021 2.162 2.162 318 1H5* C 1 1H5' C5' 29 3.995 -9.534 -9.534 319 2H5* C 1 2H5' C5' 29 4.982 -9.431 -9.431 320 H4* C 1 H4' C5' 29 6.002 -8.144 -8.144 321 H3* C 1 H3' C5' 29 4.938 -6.456 -6.456 322 1H2* C 1 1H2' C5' 29 6.926 -5.526 -5.526 323 2H2* C 1 2H2' C5' 29 5.686 -4.656 -4.656 324 H1* C 1 H1' C5' 29 5.315 -5.598 -5.598 325 H3 C 1 H3 C5' 29 3.826 -1.232 -1.232 326 1H4 C 1 1H4 C5' 29 0.420 -1.590 -1.590 327 2H4 C 1 2H4 C5' 29 1.707 -0.481 -0.481 328 H5 C 1 H5 C5' 29 0.770 -3.997 -3.997 329 H6 C 1 H6 C5' 29 2.387 -5.844 -5.844 330 H5T C 1 H5' C5' 29 2.753 -9.100 -9.100 331 1H5* T 2 1H5' T 30 8.925 -4.993 -4.993 332 2H5* T 2 2H5' T 30 9.832 -5.375 -5.375 333 H4* T 2 H4' T 30 10.153 -3.035 -3.035 334 H3* T 2 H3* T 2 9.402 -3.914 -3.914 335 1H2* T 2 1H2' T 30 7.939 -1.602 -1.602 336 2H2* T 2 2H2' T 30 7.194 -3.126 -3.126 337 H1* T 2 H1' T 30 8.106 -0.763 -0.763 338 H3 T 2 H3 T 30 3.730 0.523 0.523 339 1H5M T 2 1H5M T 30 3.489 -4.595 -4.595 340 2H5M T 2 2H5M T 30 2.250 -3.934 -3.934 341 3H5M T 2 3H5M T 30 3.732 -4.652 -4.652 342 H6 T 2 H6 T 30 5.807 -3.740 -3.740 343 1H5* C 3 1H5' C 31 10.685 0.843 0.843 344 2H5* C 3 2H5' C 31 11.430 1.203 1.203 345 H4* C 3 H4' C 31 10.006 3.045 3.045 346 H3* C 3 H3' C 31 8.702 1.317 1.317 347 1H2* C 3 1H2' C 31 7.849 4.122 4.122 348 2H2* C 3 2H2' C 31 6.946 2.669 2.669 349 H1* C 3 H1' C 31 7.408 3.804 3.804 350 H3 C 3 H3 C 31 2.850 2.882 2.882 351 1H4 C 3 1H4 C 31 2.239 -0.511 -0.511 352 2H4 C 3 2H4 C 31 1.550 1.039 1.039 353 H5 C 3 H5 C 31 4.669 -0.822 -0.822 354 H6 C 3 H6 C 31 6.810 0.331 0.331 355 1H5* T 4 1H5' T 32 9.254 5.681 5.681 356 2H5* T 4 2H5' T 32 9.766 6.233 6.233 357 H4* T 4 H4' T 32 7.870 7.546 7.546 358 H3* T 4 H3' T 32 8.100 6.599 6.599 359 1H2* T 4 1H2' T 32 5.336 6.495 6.495 360 2H2* T 4 2H2' T 32 6.374 5.088 5.088 361 H1* T 4 H1' T 32 4.855 6.750 6.750 362 H3 T 4 H3 T 32 1.913 3.301 3.301 363 1H5M T 4 1H5M T 32 6.749 1.123 1.123 364 2H5M T 4 2H5M T 32 5.595 0.660 0.660 365 3H5M T 4 3H5M T 32 5.373 0.111 0.111 366 H6 T 4 H6 T 32 6.462 3.432 3.432 367 1H5* C 5 1H5' C 33 4.754 9.754 9.754 368 2H5* C 5 2H5' C 33 4.565 10.914 10.914 369 H4* C 5 H4' C 33 2.387 10.251 10.251 370 H3* C 5 H3' C 33 3.075 9.651 9.651 371 1H2* C 5 1H2' C 33 0.473 8.627 8.627 372 2H2* C 5 2H2' C 33 1.899 7.654 7.654 373 H1* C 5 H1' C 33 0.641 8.357 8.357 374 H3 C 5 H3 C 33 -0.680 3.856 3.856 375 1H4 C 5 1H4 C 33 1.895 1.764 1.764 376 2H4 C 5 2H4 C 33 0.295 1.837 1.837 377 H5 C 5 H5 C 33 3.218 3.749 3.749 378 H6 C 5 H6 C 33 3.245 6.182 6.182 379 1H5* T 6 1H5' T3' 34 -1.071 10.667 10.667 380 2H5* T 6 2H5' T3' 34 -2.020 11.734 11.734 381 H4* T 6 H4' T3' 34 -3.394 9.859 9.859 382 H3* T 6 H3' T3' 34 -3.118 10.488 10.488 383 1H2* T 6 1H2' T3' 34 -3.684 7.881 7.881 384 2H2* T 6 2H2' T3' 34 -2.003 8.477 8.477 385 H1* T 6 H1' T3' 34 -3.731 7.290 7.290 386 H3 T 6 H3 T3' 34 -2.041 3.037 3.037 387 1H5M T 6 1H5M T3' 34 2.173 4.773 4.773 388 2H5M T 6 2H5M T3' 34 1.726 6.309 6.309 389 3H5M T 6 3H5M T3' 34 1.369 4.769 4.769 390 H6 T 6 H6 T3' 34 -0.294 7.266 7.266 Start of MODEL 4 1 1H5* G 1 1H5' G5' 1 -5.294 -7.284 -7.284 2 2H5* G 1 2H5' G5' 1 -5.926 -8.261 -8.261 3 H4* G 1 H4' G5' 1 -3.486 -8.451 -8.451 4 H3* G 1 H3' G5' 1 -4.853 -7.886 -7.886 5 1H2* G 1 1H2' G5' 1 -2.919 -6.193 -6.193 6 2H2* G 1 2H2' G5' 1 -4.266 -5.566 -5.566 7 H1* G 1 H1' G5' 1 -1.527 -6.453 -6.453 8 H8 G 1 H8 G5' 1 -4.274 -3.707 -3.707 9 H1 G 1 H1 G5' 1 1.761 -1.495 -1.495 10 1H2 G 1 1H2 G5' 1 3.196 -3.197 -3.197 11 2H2 G 1 2H2 G5' 1 2.660 -4.856 -4.856 12 H5T G 1 H5' G5' 1 -5.441 -5.465 -5.465 13 1H5* A 2 1H5' A 2 -0.101 -8.363 -8.363 14 2H5* A 2 2H5' A 2 0.272 -9.501 -9.501 15 H4* A 2 H4' A 2 2.075 -7.914 -7.914 16 H3* A 2 H3' A 2 0.658 -8.357 -8.357 17 1H2* A 2 1H2' A 2 1.092 -5.796 -5.796 18 2H2* A 2 2H2' A 2 -0.361 -6.210 -6.210 19 H1* A 2 H1' A 2 2.304 -5.251 -5.251 20 H8 A 2 H8 A 2 -1.557 -4.585 -4.585 21 1H6 A 2 1H6 A 2 -0.094 1.360 1.360 22 2H6 A 2 2H6 A 2 -1.397 0.205 0.205 23 H2 A 2 H2 A 2 3.719 -0.955 -0.955 24 1H5* C 3 1H5' C 3 5.188 -6.671 -6.671 25 2H5* C 3 2H5' C 3 6.003 -7.314 -7.314 26 H4* C 3 H4' C 3 6.917 -5.128 -5.128 27 H3* C 3 H3' C 3 5.918 -5.697 -5.697 28 1H2* C 3 1H2' C 3 5.808 -2.971 -2.971 29 2H2* C 3 2H2' C 3 4.401 -4.040 -4.040 30 H1* C 3 H1' C 3 5.963 -2.416 -2.416 31 1H4 C 3 1H4 C 3 -0.681 -1.121 -1.121 32 2H4 C 3 2H4 C 3 0.110 0.428 0.428 33 H5 C 3 H5 C 3 0.543 -3.236 -3.236 34 H6 C 3 H6 C 3 2.775 -4.222 -4.222 35 1H5* T 4 1H5' T 4 8.990 -2.013 -2.013 36 2H5* T 4 2H5' T 4 9.991 -2.021 -2.021 37 H4* T 4 H4' T 4 9.109 0.222 0.222 38 H3* T 4 H3' T 4 8.407 -1.104 -1.104 39 1H2* T 4 1H2' T 4 7.134 1.465 1.465 40 2H2* T 4 2H2' T 4 6.302 -0.107 -0.107 41 H1* T 4 H1' T 4 6.926 1.684 1.684 42 H3 T 4 H3 T 4 2.353 2.215 2.215 43 1H5M T 4 1H5M T 4 2.322 -2.678 -2.678 44 2H5M T 4 2H5M T 4 3.332 -2.864 -2.864 45 3H5M T 4 3H5M T 4 1.715 -2.107 -2.107 46 H6 T 4 H6 T 4 5.155 -1.575 -1.575 47 1H5* G 5 1H5' G 5 9.595 3.336 3.336 48 2H5* G 5 2H5' G 5 10.631 3.592 3.592 49 H4* G 5 H4' G 5 9.087 5.455 5.455 50 H3* G 5 H3' G 5 9.487 4.195 4.195 51 1H2* G 5 1H2' G 5 6.858 4.594 4.594 52 2H2* G 5 2H2' G 5 7.467 3.082 3.082 53 H1* G 5 H1' G 5 6.043 5.365 5.365 54 H8 G 5 H8 G 5 6.361 1.417 1.417 55 H1 G 5 H1 G 5 0.750 3.616 3.616 56 1H2 G 5 1H2 G 5 0.840 5.852 5.852 57 2H2 G 5 2H2 G 5 2.281 6.761 6.761 58 1H5* A 6 1H5' A 6 6.190 8.682 8.682 59 2H5* A 6 2H5' A 6 5.700 7.039 7.039 60 H4* A 6 H4' A 6 4.802 8.389 8.389 61 H3* A 6 H3' A 6 3.874 8.888 8.888 62 1H2* A 6 1H2' A 6 1.585 7.446 7.446 63 2H2* A 6 2H2' A 6 3.083 6.660 6.660 64 H1* A 6 H1' A 6 2.163 6.783 6.783 65 H8 A 6 H8 A 6 4.395 4.218 4.218 66 1H6 A 6 1H6 A 6 -0.480 0.418 0.418 67 2H6 A 6 2H6 A 6 1.207 0.470 0.470 68 H2 A 6 H2 A 6 -1.686 4.675 4.675 69 1H5* G 7 1H5' G 7 -0.629 9.805 9.805 70 2H5* G 7 2H5' G 7 -0.844 11.127 11.127 71 H4* G 7 H4' G 7 -2.461 9.379 9.379 72 H3* G 7 H3' G 7 -0.473 10.083 10.083 73 1H2* G 7 1H2' G 7 -1.286 7.712 7.712 74 2H2* G 7 2H2' G 7 0.193 7.808 7.808 75 H1* G 7 H1' G 7 -2.592 7.147 7.147 76 H8 G 7 H8 G 7 1.123 5.880 5.880 77 H1 G 7 H1 G 7 -3.239 1.330 1.330 78 1H2 G 7 1H2 G 7 -5.250 2.219 2.219 79 2H2 G 7 2H2 G 7 -5.532 3.946 3.946 80 1H5* A 8 1H5' A 8 -4.555 9.132 9.132 81 2H5* A 8 2H5' A 8 -3.590 7.706 7.706 82 H4* A 8 H4' A 8 -4.910 8.305 8.305 83 H3* A 8 H3' A 8 -6.127 7.274 7.274 84 1H2* A 8 1H2' A 8 -5.741 4.649 4.649 85 2H2* A 8 2H2' A 8 -4.352 5.521 5.521 86 H1* A 8 H1' A 8 -4.793 5.159 5.159 87 H8 A 8 H8 A 8 -1.524 5.789 5.789 88 1H6 A 8 1H6 A 8 -0.253 -0.265 -0.265 89 2H6 A 8 2H6 A 8 0.395 1.333 1.333 90 H2 A 8 H2 A 8 -4.572 0.269 0.269 91 1H5* G 9 1H5' G 9 -9.490 4.821 4.821 92 2H5* G 9 2H5' G 9 -7.748 4.952 4.952 93 H4* G 9 H4' G 9 -9.069 2.540 2.540 94 H3* G 9 H3' G 9 -9.171 3.284 3.284 95 1H2* G 9 1H2' G 9 -7.544 1.108 1.108 96 2H2* G 9 2H2' G 9 -6.927 2.735 2.735 97 H1* G 9 H1' G 9 -7.169 0.589 0.589 98 H8 G 9 H8 G 9 -4.701 3.506 3.506 99 H1 G 9 H1 G 9 -2.098 -2.371 -2.371 100 1H2 G 9 1H2 G 9 -3.705 -3.890 -3.890 101 2H2 G 9 2H2 G 9 -5.383 -3.435 -3.435 102 1H5* A 10 1H5' A 10 -9.076 -1.271 -1.271 103 2H5* A 10 2H5' A 10 -10.264 -2.083 -2.083 104 H4* A 10 H4' A 10 -8.153 -3.253 -3.253 105 H3* A 10 H3' A 10 -9.161 -1.762 -1.762 106 1H2* A 10 1H2' A 10 -6.724 -2.888 -2.888 107 2H2* A 10 2H2' A 10 -7.031 -1.140 -1.140 108 H1* A 10 H1' A 10 -5.806 -3.153 -3.153 109 H8 A 10 H8 A 10 -5.676 0.608 0.608 110 1H6 A 10 1H6 A 10 0.489 -0.581 -0.581 111 2H6 A 10 2H6 A 10 -0.703 0.694 0.694 112 H2 A 10 H2 A 10 -1.849 -4.385 -4.385 113 1H5* C 11 1H5' C 11 -7.274 -6.021 -6.021 114 2H5* C 11 2H5' C 11 -7.951 -6.990 -6.990 115 H4* C 11 H4' C 11 -5.484 -7.230 -7.230 116 H3* C 11 H3' C 11 -6.765 -6.235 -6.235 117 1H2* C 11 1H2' C 11 -4.028 -6.084 -6.084 118 2H2* C 11 2H2' C 11 -5.196 -4.724 -4.724 119 H1* C 11 H1' C 11 -3.349 -6.031 -6.031 120 1H4 C 11 1H4 C 11 -2.184 0.605 0.605 121 2H4 C 11 2H4 C 11 -0.629 -0.172 -0.172 122 H5 C 11 H5 C 11 -4.317 -0.680 -0.680 123 H6 C 11 H6 C 11 -5.261 -2.887 -2.887 124 1H5* G 12 1H5' G 12 -3.258 -9.521 -9.521 125 2H5* G 12 2H5' G 12 -3.649 -10.610 -10.610 126 H4* G 12 H4' G 12 -1.193 -10.140 -10.140 127 H3* G 12 H3' G 12 -2.644 -10.102 -10.102 128 1H2* G 12 1H2' G 12 -0.900 -8.130 -8.130 129 2H2* G 12 2H2' G 12 -2.526 -7.767 -7.767 130 H1* G 12 H1' G 12 0.173 -7.823 -7.823 131 H8 G 12 H8 G 12 -3.212 -5.879 -5.879 132 H1 G 12 H1 G 12 1.853 -2.195 -2.195 133 1H2 G 12 1H2 G 12 3.701 -3.465 -3.465 134 2H2 G 12 2H2 G 12 3.652 -5.199 -5.199 135 1H5* T 13 1H5' T 13 1.943 -9.719 -9.719 136 2H5* T 13 2H5' T 13 2.808 -10.730 -10.730 137 H4* T 13 H4' T 13 4.126 -8.756 -8.756 138 H3* T 13 H3' T 13 3.321 -9.444 -9.444 139 1H2* T 13 1H2' T 13 3.913 -6.759 -6.759 140 2H2* T 13 2H2' T 13 2.236 -7.407 -7.407 141 H1* T 13 H1' T 13 4.130 -6.159 -6.159 142 H3 T 13 H3 T 13 1.973 -2.090 -2.090 143 1H5M T 13 1H5M T 13 -1.625 -4.831 -4.831 144 2H5M T 13 2H5M T 13 -2.189 -4.181 -4.181 145 3H5M T 13 3H5M T 13 -1.768 -5.895 -5.895 146 H6 T 13 H6 T 13 0.542 -6.588 -6.588 147 1H5* A 14 1H5' A3' 14 7.024 -6.463 -6.463 148 2H5* A 14 2H5' A3' 14 8.242 -7.090 -7.090 149 H4* A 14 H4' A3' 14 8.027 -4.675 -4.675 150 H3* A 14 H3' A3' 14 7.870 -6.476 -6.476 151 1H2* A 14 1H2' A3' 14 5.968 -5.046 -5.046 152 2H2* A 14 2H2' A3' 14 5.495 -6.342 -6.342 153 H1* A 14 H1' A3' 14 5.840 -3.379 -3.379 154 H8 A 14 H8 A3' 14 3.293 -6.046 -6.046 155 1H6 A 14 1H6 A3' 14 -0.863 -1.756 -1.756 156 2H6 A 14 2H6 A3' 14 -0.685 -3.359 -3.359 157 H2 A 14 H2 A3' 14 3.253 -0.163 -0.163 158 1H5* T 1 1H5' T5' 15 0.544 7.710 7.710 159 2H5* T 1 2H5' T5' 15 0.831 8.646 8.646 160 H4* T 1 H4' T5' 15 1.965 6.423 6.423 161 H3* T 1 H3' T5' 15 -0.003 7.256 7.256 162 1H2* T 1 1H2' T5' 15 0.325 4.568 4.568 163 2H2* T 1 2H2' T5' 15 -1.111 5.242 5.242 164 H1* T 1 H1' T5' 15 1.464 4.153 4.153 165 H3 T 1 H3 T5' 15 0.159 -0.093 -0.093 166 1H5M T 1 1H5M T5' 15 -4.302 2.918 2.918 167 2H5M T 1 2H5M T5' 15 -4.319 1.158 1.158 168 3H5M T 1 3H5M T5' 15 -4.310 1.853 1.853 169 H6 T 1 H6 T5' 15 -2.217 4.016 4.016 170 H5T T 1 H5' T5' 15 -1.476 7.096 7.096 171 1H5* A 2 1H5' A 16 4.653 6.894 6.894 172 2H5* A 2 2H5' A 16 5.670 8.009 8.009 173 H4* A 2 H4' A 16 6.903 5.996 5.996 174 H3* A 2 H3' A 16 6.732 6.862 6.862 175 1H2* A 2 1H2' A 16 6.221 4.380 4.380 176 2H2* A 2 2H2' A 16 4.888 5.471 5.471 177 H1* A 2 H1' A 16 6.134 3.179 3.179 178 H8 A 2 H8 A 16 2.739 4.866 4.866 179 1H6 A 2 1H6 A 16 0.291 -0.676 -0.676 180 2H6 A 2 2H6 A 16 -0.029 0.930 0.930 181 H2 A 2 H2 A 16 4.663 -0.786 -0.786 182 1H5* C 3 1H5' C 17 8.967 2.656 2.656 183 2H5* C 3 2H5' C 17 10.362 2.538 2.538 184 H4* C 3 H4' C 17 9.342 0.353 0.353 185 H3* C 3 H3' C 17 9.438 1.583 1.583 186 1H2* C 3 1H2' C 17 7.891 -0.477 -0.477 187 2H2* C 3 2H2' C 17 7.383 1.263 1.263 188 H1* C 3 H1' C 17 7.340 -1.043 -1.043 189 1H4 C 3 1H4 C 17 1.096 1.156 1.156 190 2H4 C 3 2H4 C 17 0.950 -0.543 -0.543 191 H5 C 3 H5 C 17 3.270 2.344 2.344 192 H6 C 3 H6 C 17 5.632 2.098 2.098 193 1H5* G 4 1H5' G 18 9.681 -3.155 -3.155 194 2H5* G 4 2H5' G 18 10.738 -3.718 -3.718 195 H4* G 4 H4' G 18 8.665 -5.031 -5.031 196 H3* G 4 H3' G 18 9.290 -3.491 -3.491 197 1H2* G 4 1H2' G 18 6.822 -4.439 -4.439 198 2H2* G 4 2H2' G 18 7.338 -2.793 -2.793 199 H1* G 4 H1' G 18 6.161 -4.930 -4.930 200 H8 G 4 H8 G 18 6.259 -1.093 -1.093 201 H1 G 4 H1 G 18 0.357 -3.486 -3.486 202 1H2 G 4 1H2 G 18 0.469 -5.704 -5.704 203 2H2 G 4 2H2 G 18 1.993 -6.564 -6.564 204 1H5* T 5 1H5' T 19 6.985 -7.408 -7.408 205 2H5* T 5 2H5' T 19 7.389 -8.581 -8.581 206 H4* T 5 H4' T 19 4.964 -8.525 -8.525 207 H3* T 5 H3' T 19 6.103 -8.053 -8.053 208 1H2* T 5 1H2' T 19 3.558 -7.133 -7.133 209 2H2* T 5 2H2' T 19 4.980 -6.101 -6.101 210 H1* T 5 H1' T 19 2.885 -7.003 -7.003 211 H3 T 5 H3 T 19 0.769 -2.908 -2.908 212 1H5M T 5 1H5M T 19 5.112 -1.429 -1.429 213 2H5M T 5 2H5M T 19 4.950 -0.709 -0.709 214 3H5M T 5 3H5M T 19 6.073 -2.047 -2.047 215 H6 T 5 H6 T 19 5.288 -4.279 -4.279 216 1H5* C 6 1H5' C 20 1.658 -9.811 -9.811 217 2H5* C 6 2H5' C 20 1.340 -10.868 -10.868 218 H4* C 6 H4' C 20 -0.538 -9.307 -9.307 219 H3* C 6 H3' C 20 1.048 -9.007 -9.007 220 1H2* C 6 1H2' C 20 -1.344 -7.335 -7.335 221 2H2* C 6 2H2' C 20 0.383 -6.926 -6.926 222 H1* C 6 H1' C 20 -1.269 -6.882 -6.882 223 1H4 C 6 1H4 C 20 2.540 -1.368 -1.368 224 2H4 C 6 2H4 C 20 0.888 -0.810 -0.810 225 H5 C 6 H5 C 20 3.119 -3.793 -3.793 226 H6 C 6 H6 C 20 2.216 -6.012 -6.012 227 1H5* T 7 1H5' T 21 -3.534 -9.084 -9.084 228 2H5* T 7 2H5' T 21 -4.246 -9.955 -9.955 229 H4* T 7 H4' T 21 -5.533 -7.928 -7.928 230 H3* T 7 H3' T 21 -4.487 -8.466 -8.466 231 1H2* T 7 1H2' T 21 -4.569 -5.920 -5.920 232 2H2* T 7 2H2' T 21 -3.202 -6.886 -6.886 233 H1* T 7 H1' T 21 -5.109 -5.190 -5.190 234 H3 T 7 H3 T 21 -2.390 -1.461 -1.461 235 1H5M T 7 1H5M T 21 1.315 -4.635 -4.635 236 2H5M T 7 2H5M T 21 0.756 -5.831 -5.831 237 3H5M T 7 3H5M T 21 1.261 -4.224 -4.224 238 H6 T 7 H6 T 21 -1.515 -6.152 -6.152 239 1H5* C 8 1H5' C 22 -7.866 -5.372 -5.372 240 2H5* C 8 2H5' C 22 -9.113 -5.502 -5.502 241 H4* C 8 H4' C 22 -8.610 -3.152 -3.152 242 H3* C 8 H3' C 22 -8.404 -4.202 -4.202 243 1H2* C 8 1H2' C 22 -7.141 -1.775 -1.775 244 2H2* C 8 2H2' C 22 -6.325 -3.360 -3.360 245 H1* C 8 H1' C 22 -6.836 -1.324 -1.324 246 1H4 C 8 1H4 C 22 -0.223 -2.342 -2.342 247 2H4 C 8 2H4 C 22 -0.438 -0.616 -0.616 248 H5 C 8 H5 C 22 -2.113 -3.876 -3.876 249 H6 C 8 H6 C 22 -4.514 -4.101 -4.101 250 1H5* T 9 1H5' T 23 -10.444 0.316 0.316 251 2H5* T 9 2H5' T 23 -8.792 -0.270 -0.270 252 H4* T 9 H4' T 23 -9.613 2.186 2.186 253 H3* T 9 H3' T 23 -9.399 1.998 1.998 254 1H2* T 9 1H2' T 23 -6.801 2.783 2.783 255 2H2* T 9 2H2' T 23 -7.167 1.077 1.077 256 H1* T 9 H1' T 23 -6.499 3.142 3.142 257 H3 T 9 H3 T 23 -2.196 1.691 1.691 258 1H5M T 9 1H5M T 23 -5.346 -2.653 -2.653 259 2H5M T 9 2H5M T 23 -3.937 -2.487 -2.487 260 3H5M T 9 3H5M T 23 -3.705 -2.808 -2.808 261 H6 T 9 H6 T 23 -6.347 -0.542 -0.542 262 1H5* C 10 1H5' C 24 -7.232 6.064 6.064 263 2H5* C 10 2H5' C 24 -8.056 7.274 7.274 264 H4* C 10 H4' C 24 -5.859 8.092 8.092 265 H3* C 10 H3' C 24 -6.764 7.557 7.557 266 1H2* C 10 1H2' C 24 -4.159 7.470 7.470 267 2H2* C 10 2H2' C 24 -5.193 6.010 6.010 268 H1* C 10 H1' C 24 -3.258 7.405 7.405 269 1H4 C 10 1H4 C 24 -1.795 0.873 0.873 270 2H4 C 10 2H4 C 24 -0.263 1.715 1.715 271 H5 C 10 H5 C 24 -3.955 2.012 2.012 272 H6 C 10 H6 C 24 -5.008 4.193 4.193 273 1H5* A 11 1H5' A 25 -2.994 10.250 10.250 274 2H5* A 11 2H5' A 25 -3.213 11.629 11.629 275 H4* A 11 H4' A 25 -1.013 10.578 10.578 276 H3* A 11 H3' A 25 -2.994 10.840 10.840 277 1H2* A 11 1H2' A 25 -1.196 9.035 9.035 278 2H2* A 11 2H2' A 25 -2.858 8.648 8.648 279 H1* A 11 H1' A 25 -0.161 8.434 8.434 280 H8 A 11 H8 A 25 -3.545 6.534 6.534 281 1H6 A 11 1H6 A 25 -0.276 1.358 1.358 282 2H6 A 11 2H6 A 25 -1.837 2.022 2.022 283 H2 A 11 H2 A 25 2.441 4.840 4.840 284 1H5* G 12 1H5' G 26 1.634 11.017 11.017 285 2H5* G 12 2H5' G 26 2.266 11.818 11.818 286 H4* G 12 H4' G 26 3.468 9.718 9.718 287 H3* G 12 H3' G 26 2.348 10.136 10.136 288 1H2* G 12 1H2' G 26 3.119 7.520 7.520 289 2H2* G 12 2H2' G 26 1.437 8.138 8.138 290 H1* G 12 H1' G 26 3.294 7.150 7.150 291 H8 G 12 H8 G 26 -0.377 7.303 7.303 292 H1 G 12 H1 G 26 1.834 1.380 1.380 293 1H2 G 12 1H2 G 26 4.020 1.498 1.498 294 2H2 G 12 2H2 G 26 4.883 3.018 3.018 295 1H5* T 13 1H5' T 27 6.283 7.721 7.721 296 2H5* T 13 2H5' T 27 7.541 8.180 8.180 297 H4* T 13 H4' T 27 7.781 5.860 5.860 298 H3* T 13 H3' T 27 7.981 6.649 6.649 299 1H2* T 13 1H2' T 27 6.840 4.338 4.338 300 2H2* T 13 2H2' T 27 5.901 5.805 5.805 301 H1* T 13 H1' T 27 6.407 3.473 3.473 302 H3 T 13 H3 T 27 2.187 1.641 1.641 303 1H5M T 13 1H5M T 27 0.916 5.606 5.606 304 2H5M T 13 2H5M T 27 0.482 6.069 6.069 305 3H5M T 13 3H5M T 27 1.869 6.821 6.821 306 H6 T 13 H6 T 27 3.916 5.966 5.966 307 1H5* C 14 1H5' C3' 28 8.779 2.096 2.096 308 2H5* C 14 2H5' C3' 28 10.140 1.476 1.476 309 H4* C 14 H4' C3' 28 8.369 -0.203 -0.203 310 H3* C 14 H3' C3' 28 9.329 0.740 0.740 311 1H2* C 14 1H2' C3' 28 7.053 -0.505 -0.505 312 2H2* C 14 2H2' C3' 28 7.184 1.262 1.262 313 H1* C 14 H1' C3' 28 6.189 -0.808 -0.808 314 1H4 C 14 1H4 C3' 28 1.044 3.177 3.177 315 2H4 C 14 2H4 C3' 28 0.399 1.564 1.564 316 H5 C 14 H5 C3' 28 3.456 3.695 3.695 317 H6 C 14 H6 C3' 28 5.606 2.755 2.755 318 1H5* C 1 1H5' C5' 29 6.186 -8.673 -8.673 319 2H5* C 1 2H5' C5' 29 4.601 -7.973 -7.973 320 H4* C 1 H4' C5' 29 7.206 -7.350 -7.350 321 H3* C 1 H3' C5' 29 5.727 -5.813 -5.813 322 1H2* C 1 1H2' C5' 29 7.710 -4.616 -4.616 323 2H2* C 1 2H2' C5' 29 6.286 -3.927 -3.927 324 H1* C 1 H1' C5' 29 6.258 -4.922 -4.922 325 H3 C 1 H3 C5' 29 4.070 -0.825 -0.825 326 1H4 C 1 1H4 C5' 29 0.706 -1.714 -1.714 327 2H4 C 1 2H4 C5' 29 1.828 -0.412 -0.412 328 H5 C 1 H5 C5' 29 1.404 -4.030 -4.030 329 H6 C 1 H6 C5' 29 3.290 -5.605 -5.605 330 H5T C 1 H5' C5' 29 4.954 -10.011 -10.011 331 1H5* T 2 1H5' T 30 9.429 -3.763 -3.763 332 2H5* T 2 2H5' T 30 10.312 -3.971 -3.971 333 H4* T 2 H4' T 30 10.303 -1.625 -1.625 334 H3* T 2 H3' T 30 9.575 -2.555 -2.555 335 1H2* T 2 1H2' T 30 7.751 -0.496 -0.496 336 2H2* T 2 2H2' T 30 7.272 -2.122 -2.122 337 H1* T 2 H1' T 30 7.898 0.329 0.329 338 H3 T 2 H3 T 30 3.422 0.921 0.921 339 1H5M T 2 1H5M T 30 2.655 -3.721 -3.721 340 2H5M T 2 2H5M T 30 4.278 -4.197 -4.197 341 3H5M T 2 3H5M T 30 3.892 -4.163 -4.163 342 H6 T 2 H6 T 30 6.083 -2.963 -2.963 343 1H5* C 3 1H5' C 31 10.102 2.295 2.295 344 2H5* C 3 2H5' C 31 10.746 2.849 2.849 345 H4* C 3 H4' C 31 9.082 4.425 4.425 346 H3* C 3 H3' C 31 7.996 2.612 2.612 347 1H2* C 3 1H2' C 31 6.712 5.215 5.215 348 2H2* C 3 2H2' C 31 6.053 3.637 3.637 349 H1* C 3 H1' C 31 6.404 4.762 4.762 350 H3 C 3 H3 C 31 2.036 3.176 3.176 351 1H4 C 3 1H4 C 31 1.928 -0.258 -0.258 352 2H4 C 3 2H4 C 31 1.023 1.163 1.163 353 H5 C 3 H5 C 31 4.374 -0.196 -0.196 354 H6 C 3 H6 C 31 6.315 1.269 1.269 355 1H5* T 4 1H5' T 32 7.854 7.002 7.002 356 2H5* T 4 2H5' T 32 8.249 7.709 7.709 357 H4* T 4 H4' T 32 6.205 8.678 8.678 358 H3* T 4 H3' T 32 6.530 7.949 7.949 359 1H2* T 4 1H2' T 32 3.840 7.334 7.334 360 2H2* T 4 2H2' T 32 5.116 6.132 6.132 361 H1* T 4 H1' T 32 3.321 7.428 7.428 362 H3 T 4 H3 T 32 1.015 3.526 3.526 363 1H5M T 4 1H5M T 32 4.553 0.945 0.945 364 2H5M T 4 2H5M T 32 5.678 1.604 1.604 365 3H5M T 4 3H5M T 32 5.725 2.187 2.187 366 H6 T 4 H6 T 32 5.425 4.431 4.431 367 1H5* C 5 1H5' C 33 2.583 10.245 10.245 368 2H5* C 5 2H5' C 33 2.159 11.395 11.395 369 H4* C 5 H4' C 33 0.174 10.187 10.187 370 H3* C 5 H3' C 33 1.196 9.677 9.677 371 1H2* C 5 1H2' C 33 -1.265 8.298 8.298 372 2H2* C 5 2H2' C 33 0.299 7.555 7.555 373 H1* C 5 H1' C 33 -1.067 8.051 8.051 374 H3 C 5 H3 C 33 -1.598 3.390 3.390 375 1H4 C 5 1H4 C 33 1.312 1.771 1.771 376 2H4 C 5 2H4 C 33 -0.289 1.575 1.575 377 H5 C 5 H5 C 33 2.285 3.961 3.961 378 H6 C 5 H6 C 33 1.888 6.366 6.366 379 1H5* T 6 1H5' T3' 34 -3.124 10.145 10.145 380 2H5* T 6 2H5' T3' 34 -4.154 11.014 11.014 381 H4* T 6 H4' T3' 34 -5.284 8.995 8.995 382 H3* T 6 H3' T3' 34 -4.995 9.553 9.553 383 1H2* T 6 1H2' T3' 34 -5.171 6.870 6.870 384 2H2* T 6 2H2' T3' 34 -3.597 7.706 7.706 385 H1* T 6 H1' T3' 34 -5.205 6.361 6.361 386 H3 T 6 H3 T3' 34 -2.905 2.402 2.402 387 1H5M T 6 1H5M T3' 34 0.436 6.163 6.163 388 2H5M T 6 2H5M T3' 34 0.305 4.608 4.608 389 3H5M T 6 3H5M T3' 34 1.059 4.682 4.682 390 H6 T 6 H6 T3' 34 -1.751 6.817 6.817 Start of MODEL 5 1 1H5* G 1 1H5' G5' 1 -5.490 -7.517 -7.517 2 2H5* G 1 2H5' G5' 1 -5.981 -8.552 -8.552 3 H4* G 1 H4' G5' 1 -3.546 -8.598 -8.598 4 H3* G 1 H3' G5' 1 -4.785 -8.178 -8.178 5 1H2* G 1 1H2' G5' 1 -2.912 -6.381 -6.381 6 2H2* G 1 2H2' G5' 1 -4.352 -5.821 -5.821 7 H1* G 1 H1' G5' 1 -1.627 -6.509 -6.509 8 H8 G 1 H8 G5' 1 -4.564 -3.944 -3.944 9 H1 G 1 H1 G5' 1 1.307 -1.336 -1.336 10 1H2 G 1 1H2 G5' 1 2.858 -2.947 -2.947 11 2H2 G 1 2H2 G5' 1 2.436 -4.640 -4.640 12 H5T G 1 H5' G5' 1 -7.013 -6.513 -6.513 13 1H5* A 2 1H5' A 2 -0.027 -8.330 -8.330 14 2H5* A 2 2H5' A 2 0.503 -9.481 -9.481 15 H4* A 2 H4' A 2 2.191 -7.786 -7.786 16 H3* A 2 H3' A 2 1.011 -8.396 -8.396 17 1H2* A 2 1H2' A 2 1.283 -5.847 -5.847 18 2H2* A 2 2H2' A 2 -0.187 -6.337 -6.337 19 H1* A 2 H1' A 2 2.324 -5.134 -5.134 20 H8 A 2 H8 A 2 -1.572 -4.755 -4.755 21 1H6 A 2 1H6 A 2 -0.554 1.313 1.313 22 2H6 A 2 2H6 A 2 -1.770 0.068 0.068 23 H2 A 2 H2 A 2 3.413 -0.756 -0.756 24 1H5* C 3 1H5' C 3 5.264 -6.114 -6.114 25 2H5* C 3 2H5' C 3 6.286 -6.736 -6.736 26 H4* C 3 H4' C 3 6.880 -4.422 -4.422 27 H3* C 3 H3' C 3 6.166 -5.273 -5.273 28 1H2* C 3 1H2' C 3 5.842 -2.568 -2.568 29 2H2* C 3 2H2' C 3 4.531 -3.767 -3.767 30 H1* C 3 H1' C 3 5.656 -1.871 -1.871 31 1H4 C 3 1H4 C 3 -1.075 -1.562 -1.562 32 2H4 C 3 2H4 C 3 -0.522 0.086 0.086 33 H5 C 3 H5 C 3 0.468 -3.491 -3.491 34 H6 C 3 H6 C 3 2.809 -4.134 -4.134 35 1H5* T 4 1H5' T 4 8.833 -1.336 -1.336 36 2H5* T 4 2H5' T 4 9.969 -1.263 -1.263 37 H4* T 4 H4' T 4 8.843 0.901 0.901 38 H3* T 4 H3' T 4 8.545 -0.489 -0.489 39 1H2* T 4 1H2' T 4 7.043 1.938 1.938 40 2H2* T 4 2H2' T 4 6.369 0.291 0.291 41 H1* T 4 H1' T 4 6.550 2.143 2.143 42 H3 T 4 H3 T 4 1.948 2.142 2.142 43 1H5M T 4 1H5M T 4 1.968 -2.207 -2.207 44 2H5M T 4 2H5M T 4 2.471 -2.708 -2.708 45 3H5M T 4 3H5M T 4 3.636 -2.788 -2.788 46 H6 T 4 H6 T 4 5.257 -1.304 -1.304 47 1H5* G 5 1H5' G 5 9.343 4.094 4.094 48 2H5* G 5 2H5' G 5 10.500 4.389 4.389 49 H4* G 5 H4' G 5 8.783 6.129 6.129 50 H3* G 5 H3' G 5 9.501 4.726 4.726 51 1H2* G 5 1H2' G 5 6.930 5.019 5.019 52 2H2* G 5 2H2' G 5 7.560 3.554 3.554 53 H1* G 5 H1' G 5 5.886 5.767 5.767 54 H8 G 5 H8 G 5 6.524 1.850 1.850 55 H1 G 5 H1 G 5 0.593 3.589 3.589 56 1H2 G 5 1H2 G 5 0.470 5.821 5.821 57 2H2 G 5 2H2 G 5 1.848 6.853 6.853 58 1H5* A 6 1H5' A 6 6.257 9.038 9.038 59 2H5* A 6 2H5' A 6 5.876 7.358 7.358 60 H4* A 6 H4' A 6 4.739 8.738 8.738 61 H3* A 6 H3' A 6 3.924 9.062 9.062 62 1H2* A 6 1H2' A 6 1.670 7.573 7.573 63 2H2* A 6 2H2' A 6 3.206 6.849 6.849 64 H1* A 6 H1' A 6 2.220 6.968 6.968 65 H8 A 6 H8 A 6 4.667 4.552 4.552 66 1H6 A 6 1H6 A 6 0.095 0.404 0.404 67 2H6 A 6 2H6 A 6 1.777 0.577 0.577 68 H2 A 6 H2 A 6 -1.438 4.566 4.566 69 1H5* G 7 1H5' G 7 -0.598 9.718 9.718 70 2H5* G 7 2H5' G 7 -0.969 11.006 11.006 71 H4* G 7 H4' G 7 -2.458 9.167 9.167 72 H3* G 7 H3' G 7 -0.500 9.899 9.899 73 1H2* G 7 1H2' G 7 -1.290 7.470 7.470 74 2H2* G 7 2H2' G 7 0.226 7.643 7.643 75 H1* G 7 H1' G 7 -2.498 6.886 6.886 76 H8 G 7 H8 G 7 1.313 5.851 5.851 77 H1 G 7 H1 G 7 -2.754 1.032 1.032 78 1H2 G 7 1H2 G 7 -4.824 1.782 1.782 79 2H2 G 7 2H2 G 7 -5.228 3.483 3.483 80 1H5* A 8 1H5' A 8 -4.281 7.938 7.938 81 2H5* A 8 2H5' A 8 -2.856 7.594 7.594 82 H4* A 8 H4' A 8 -5.215 7.622 7.622 83 H3* A 8 H3' A 8 -5.950 6.631 6.631 84 1H2* A 8 1H2' A 8 -5.621 4.035 4.035 85 2H2* A 8 2H2' A 8 -4.224 4.969 4.969 86 H1* A 8 H1' A 8 -4.868 4.482 4.482 87 H8 A 8 H8 A 8 -1.532 5.456 5.456 88 1H6 A 8 1H6 A 8 0.243 -0.466 -0.466 89 2H6 A 8 2H6 A 8 0.760 1.180 1.180 90 H2 A 8 H2 A 8 -4.122 -0.312 -0.312 91 1H5* G 9 1H5' G 9 -8.115 3.184 3.184 92 2H5* G 9 2H5' G 9 -9.646 3.099 3.099 93 H4* G 9 H4' G 9 -8.487 0.978 0.978 94 H3* G 9 H3' G 9 -8.947 2.531 2.531 95 1H2* G 9 1H2' G 9 -7.253 0.521 0.521 96 2H2* G 9 2H2' G 9 -6.783 2.172 2.172 97 H1* G 9 H1' G 9 -6.632 -0.187 -0.187 98 H8 G 9 H8 G 9 -4.493 3.002 3.002 99 H1 G 9 H1 G 9 -1.364 -2.601 -2.601 100 1H2 G 9 1H2 G 9 -2.810 -4.272 -4.272 101 2H2 G 9 2H2 G 9 -4.514 -3.975 -3.975 102 1H5* A 10 1H5' A 10 -8.513 -1.943 -1.943 103 2H5* A 10 2H5' A 10 -9.694 -2.839 -2.839 104 H4* A 10 H4' A 10 -7.568 -3.965 -3.965 105 H3* A 10 H3' A 10 -8.901 -2.951 -2.951 106 1H2* A 10 1H2' A 10 -6.490 -2.850 -2.850 107 2H2* A 10 2H2' A 10 -7.096 -1.420 -1.420 108 H1* A 10 H1' A 10 -5.288 -3.580 -3.580 109 H8 A 10 H8 A 10 -5.445 0.238 0.238 110 1H6 A 10 1H6 A 10 0.755 -0.467 -0.467 111 2H6 A 10 2H6 A 10 -0.539 0.709 0.709 112 H2 A 10 H2 A 10 -1.255 -4.485 -4.485 113 1H5* C 11 1H5' C 11 -6.375 -7.067 -7.067 114 2H5* C 11 2H5' C 11 -7.102 -8.147 -8.147 115 H4* C 11 H4' C 11 -4.628 -8.521 -8.521 116 H3* C 11 H3' C 11 -5.981 -7.940 -7.940 117 1H2* C 11 1H2' C 11 -3.473 -7.295 -7.295 118 2H2* C 11 2H2' C 11 -4.775 -6.123 -6.123 119 H1* C 11 H1' C 11 -2.467 -7.135 -7.135 120 1H4 C 11 1H4 C 11 -2.527 -0.415 -0.415 121 2H4 C 11 2H4 C 11 -0.859 -0.923 -0.923 122 H5 C 11 H5 C 11 -4.374 -2.010 -2.010 123 H6 C 11 H6 C 11 -4.902 -4.349 -4.349 124 1H5* G 12 1H5' G 12 -1.808 -10.290 -10.290 125 2H5* G 12 2H5' G 12 -2.055 -11.544 -11.544 126 H4* G 12 H4' G 12 0.165 -10.474 -10.474 127 H3* G 12 H3' G 12 -1.609 -10.842 -10.842 128 1H2* G 12 1H2' G 12 -0.388 -8.619 -8.619 129 2H2* G 12 2H2' G 12 -1.972 -8.547 -8.547 130 H1* G 12 H1' G 12 0.803 -8.004 -8.004 131 H8 G 12 H8 G 12 -2.909 -6.770 -6.770 132 H1 G 12 H1 G 12 1.490 -2.145 -2.145 133 1H2 G 12 1H2 G 12 3.546 -3.046 -3.046 134 2H2 G 12 2H2 G 12 3.802 -4.768 -4.768 135 1H5* T 13 1H5' T 13 2.834 -9.574 -9.574 136 2H5* T 13 2H5' T 13 3.743 -10.428 -10.428 137 H4* T 13 H4' T 13 4.676 -8.204 -8.204 138 H3* T 13 H3' T 13 3.676 -9.115 -9.115 139 1H2* T 13 1H2' T 13 3.777 -6.367 -6.367 140 2H2* T 13 2H2' T 13 2.254 -7.284 -7.284 141 H1* T 13 H1' T 13 4.079 -5.716 -5.716 142 H3 T 13 H3 T 13 1.245 -2.085 -2.085 143 1H5M T 13 1H5M T 13 -1.809 -6.529 -6.529 144 2H5M T 13 2H5M T 13 -2.016 -5.501 -5.501 145 3H5M T 13 3H5M T 13 -2.517 -4.913 -4.913 146 H6 T 13 H6 T 13 0.565 -6.802 -6.802 147 1H5* A 14 1H5' A3' 14 6.861 -5.599 -5.599 148 2H5* A 14 2H5' A3' 14 8.041 -6.022 -6.022 149 H4* A 14 H4' A3' 14 7.421 -3.663 -3.663 150 H3* A 14 H3' A3' 14 7.373 -5.437 -5.437 151 1H2* A 14 1H2' A3' 14 5.150 -4.339 -4.339 152 2H2* A 14 2H2' A3' 14 5.007 -5.710 -5.710 153 H1* A 14 H1' A3' 14 4.882 -2.737 -2.737 154 H8 A 14 H8 A3' 14 2.820 -5.826 -5.826 155 1H6 A 14 1H6 A3' 14 -1.865 -2.330 -2.330 156 2H6 A 14 2H6 A3' 14 -1.459 -3.884 -3.884 157 H2 A 14 H2 A3' 14 1.943 -0.012 -0.012 158 1H5* T 1 1H5' T5' 15 -2.249 7.225 7.225 159 2H5* T 1 2H5' T5' 15 -2.023 8.213 8.213 160 H4* T 1 H4' T5' 15 -0.492 6.233 6.233 161 H3* T 1 H3' T5' 15 -2.397 6.725 6.725 162 1H2* T 1 1H2' T5' 15 -1.525 4.152 4.152 163 2H2* T 1 2H2' T5' 15 -3.128 4.541 4.541 164 H1* T 1 H1' T5' 15 -0.513 3.922 3.922 165 H3 T 1 H3 T5' 15 -1.084 -0.495 -0.495 166 1H5M T 1 1H5M T5' 15 -5.932 1.642 1.642 167 2H5M T 1 2H5M T5' 15 -5.604 -0.089 -0.089 168 3H5M T 1 3H5M T5' 15 -5.880 0.587 0.587 169 H6 T 1 H6 T5' 15 -4.103 3.106 3.106 170 H5T T 1 H5' T5' 15 -4.225 7.823 7.823 171 1H5* A 2 1H5' A 16 2.147 7.144 7.144 172 2H5* A 2 2H5' A 16 3.007 8.467 8.467 173 H4* A 2 H4' A 16 4.575 6.733 6.733 174 H3* A 2 H3' A 16 4.428 7.604 7.604 175 1H2* A 2 1H2' A 16 4.504 5.091 5.091 176 2H2* A 2 2H2' A 16 2.957 5.897 5.897 177 H1* A 2 H1' A 16 4.487 3.838 3.838 178 H8 A 2 H8 A 16 0.931 4.897 4.897 179 1H6 A 2 1H6 A 16 -0.586 -0.994 -0.994 180 2H6 A 2 2H6 A 16 -1.136 0.533 0.533 181 H2 A 2 H2 A 16 3.638 -0.327 -0.327 182 1H5* C 3 1H5' C 17 7.396 3.928 3.928 183 2H5* C 3 2H5' C 17 8.855 4.097 4.097 184 H4* C 3 H4' C 17 8.255 1.752 1.752 185 H3* C 3 H3' C 17 8.238 3.016 3.016 186 1H2* C 3 1H2' C 17 7.261 0.618 0.618 187 2H2* C 3 2H2' C 17 6.363 2.203 2.203 188 H1* C 3 H1' C 17 6.648 -0.008 -0.008 189 1H4 C 3 1H4 C 17 0.241 0.962 0.962 190 2H4 C 3 2H4 C 17 0.373 -0.736 -0.736 191 H5 C 3 H5 C 17 2.131 2.532 2.532 192 H6 C 3 H6 C 17 4.457 2.743 2.743 193 1H5* G 4 1H5' G 18 9.476 -1.470 -1.470 194 2H5* G 4 2H5' G 18 10.769 -1.841 -1.841 195 H4* G 4 H4' G 18 9.061 -3.595 -3.595 196 H3* G 4 H3' G 18 9.582 -2.086 -2.086 197 1H2* G 4 1H2' G 18 7.440 -3.570 -3.570 198 2H2* G 4 2H2' G 18 7.538 -1.851 -1.851 199 H1* G 4 H1' G 18 6.685 -4.139 -4.139 200 H8 G 4 H8 G 18 6.042 -0.398 -0.398 201 H1 G 4 H1 G 18 0.703 -3.927 -3.927 202 1H2 G 4 1H2 G 18 1.230 -6.066 -6.066 203 2H2 G 4 2H2 G 18 2.887 -6.606 -6.606 204 1H5* T 5 1H5' T 19 8.752 -6.956 -6.956 205 2H5* T 5 2H5' T 19 7.842 -5.449 -5.449 206 H4* T 5 H4' T 19 6.920 -7.817 -7.817 207 H3* T 5 H3' T 19 6.985 -7.666 -7.666 208 1H2* T 5 1H2' T 19 4.422 -6.879 -6.879 209 2H2* T 5 2H2' T 19 5.715 -5.651 -5.651 210 H1* T 5 H1' T 19 3.907 -6.828 -6.828 211 H3 T 5 H3 T 19 1.232 -3.045 -3.045 212 1H5M T 5 1H5M T 19 5.355 -0.959 -0.959 213 2H5M T 5 2H5M T 19 5.127 -0.347 -0.347 214 3H5M T 5 3H5M T 19 6.413 -1.512 -1.512 215 H6 T 5 H6 T 19 5.930 -3.840 -3.840 216 1H5* C 6 1H5' C 20 2.669 -9.554 -9.554 217 2H5* C 6 2H5' C 20 2.393 -10.746 -10.746 218 H4* C 6 H4' C 20 0.543 -9.131 -9.131 219 H3* C 6 H3' C 20 2.262 -8.987 -8.987 220 1H2* C 6 1H2' C 20 -0.216 -7.435 -7.435 221 2H2* C 6 2H2' C 20 1.493 -6.972 -6.972 222 H1* C 6 H1' C 20 -0.184 -6.865 -6.865 223 1H4 C 6 1H4 C 20 3.162 -1.104 -1.104 224 2H4 C 6 2H4 C 20 1.481 -0.686 -0.686 225 H5 C 6 H5 C 20 3.943 -3.471 -3.471 226 H6 C 6 H6 C 20 3.239 -5.765 -5.765 227 1H5* T 7 1H5' T 21 -2.318 -9.311 -9.311 228 2H5* T 7 2H5' T 21 -2.963 -10.272 -10.272 229 H4* T 7 H4' T 21 -4.361 -8.293 -8.293 230 H3* T 7 H3' T 21 -3.311 -8.902 -8.902 231 1H2* T 7 1H2' T 21 -3.464 -6.411 -6.411 232 2H2* T 7 2H2' T 21 -2.070 -7.299 -7.299 233 H1* T 7 H1' T 21 -4.048 -5.579 -5.579 234 H3 T 7 H3 T 21 -1.486 -1.749 -1.749 235 1H5M T 7 1H5M T 21 1.835 -6.020 -6.020 236 2H5M T 7 2H5M T 21 2.262 -4.428 -4.428 237 3H5M T 7 3H5M T 21 2.362 -4.734 -4.734 238 H6 T 7 H6 T 21 -0.418 -6.414 -6.414 239 1H5* C 8 1H5' C 22 -6.906 -5.918 -5.918 240 2H5* C 8 2H5' C 22 -8.114 -6.233 -6.233 241 H4* C 8 H4' C 22 -7.884 -3.825 -3.825 242 H3* C 8 H3' C 22 -7.516 -5.023 -5.023 243 1H2* C 8 1H2' C 22 -6.279 -2.684 -2.684 244 2H2* C 8 2H2' C 22 -5.411 -4.181 -4.181 245 H1* C 8 H1' C 22 -6.188 -1.907 -1.907 246 1H4 C 8 1H4 C 22 0.519 -2.434 -2.434 247 2H4 C 8 2H4 C 22 0.169 -0.726 -0.726 248 H5 C 8 H5 C 22 -1.217 -4.142 -4.142 249 H6 C 8 H6 C 22 -3.578 -4.563 -4.563 250 1H5* T 9 1H5' T 23 -8.736 -0.500 -0.500 251 2H5* T 9 2H5' T 23 -9.996 -0.068 -0.068 252 H4* T 9 H4' T 23 -8.523 1.834 1.834 253 H3* T 9 H3' T 23 -9.107 0.893 0.893 254 1H2* T 9 1H2' T 23 -6.746 2.078 2.078 255 2H2* T 9 2H2' T 23 -6.848 0.359 0.359 256 H1* T 9 H1' T 23 -6.029 2.541 2.541 257 H3 T 9 H3 T 23 -1.587 1.519 1.519 258 1H5M T 9 1H5M T 23 -4.468 -3.110 -3.110 259 2H5M T 9 2H5M T 23 -3.122 -2.911 -2.911 260 3H5M T 9 3H5M T 23 -2.807 -3.144 -3.144 261 H6 T 9 H6 T 23 -5.598 -1.093 -1.093 262 1H5* C 10 1H5' C 24 -7.527 5.420 5.420 263 2H5* C 10 2H5' C 24 -8.478 6.438 6.438 264 H4* C 10 H4' C 24 -6.247 7.378 7.378 265 H3* C 10 H3' C 24 -7.289 6.581 6.581 266 1H2* C 10 1H2' C 24 -4.669 6.870 6.870 267 2H2* C 10 2H2' C 24 -5.557 5.306 5.306 268 H1* C 10 H1' C 24 -3.736 6.817 6.817 269 1H4 C 10 1H4 C 24 -1.730 0.459 0.459 270 2H4 C 10 2H4 C 24 -0.274 1.426 1.426 271 H5 C 10 H5 C 24 -4.000 1.422 1.422 272 H6 C 10 H6 C 24 -5.217 3.476 3.476 273 1H5* A 11 1H5' A 25 -4.025 9.936 9.936 274 2H5* A 11 2H5' A 25 -4.464 11.159 11.159 275 H4* A 11 H4' A 25 -2.089 10.425 10.425 276 H3* A 11 H3' A 25 -3.991 10.352 10.352 277 1H2* A 11 1H2' A 25 -1.901 8.745 8.745 278 2H2* A 11 2H2' A 25 -3.531 8.184 8.184 279 H1* A 11 H1' A 25 -0.896 8.378 8.378 280 H8 A 11 H8 A 25 -4.025 6.068 6.068 281 1H6 A 11 1H6 A 25 -0.142 1.338 1.338 282 2H6 A 11 2H6 A 25 -1.780 1.804 1.804 283 H2 A 11 H2 A 25 2.148 5.136 5.136 284 1H5* G 12 1H5' G 26 0.623 10.941 10.941 285 2H5* G 12 2H5' G 26 1.169 11.852 11.852 286 H4* G 12 H4' G 26 2.659 9.966 9.966 287 H3* G 12 H3' G 26 1.407 10.219 10.219 288 1H2* G 12 1H2' G 26 2.341 7.693 7.693 289 2H2* G 12 2H2' G 26 0.639 8.111 8.111 290 H1* G 12 H1' G 26 2.851 7.406 7.406 291 H8 G 12 H8 G 26 -0.865 6.903 6.903 292 H1 G 12 H1 G 26 2.459 1.479 1.479 293 1H2 G 12 1H2 G 26 4.629 1.979 1.979 294 2H2 G 12 2H2 G 26 5.214 3.628 3.628 295 1H5* T 13 1H5' T 27 5.534 8.022 8.022 296 2H5* T 13 2H5' T 27 6.701 8.582 8.582 297 H4* T 13 H4' T 27 7.116 6.263 6.263 298 H3* T 13 H3' T 27 7.077 7.130 7.130 299 1H2* T 13 1H2' T 27 6.053 4.750 4.750 300 2H2* T 13 2H2' T 27 5.033 6.142 6.142 301 H1* T 13 H1' T 27 5.815 3.828 3.828 302 H3 T 13 H3 T 27 1.720 1.728 1.728 303 1H5M T 13 1H5M T 27 0.004 5.614 5.614 304 2H5M T 13 2H5M T 27 -0.295 6.065 6.065 305 3H5M T 13 3H5M T 27 0.969 6.884 6.884 306 H6 T 13 H6 T 27 3.096 6.161 6.161 307 1H5* C 14 1H5' C3' 28 8.290 2.654 2.654 308 2H5* C 14 2H5' C3' 28 9.615 2.129 2.129 309 H4* C 14 H4' C3' 28 7.968 0.339 0.339 310 H3* C 14 H3' C3' 28 8.689 1.339 1.339 311 1H2* C 14 1H2' C3' 28 6.431 -0.047 -0.047 312 2H2* C 14 2H2' C3' 28 6.473 1.725 1.725 313 H1* C 14 H1' C3' 28 5.743 -0.398 -0.398 314 1H4 C 14 1H4 C3' 28 0.255 3.263 3.263 315 2H4 C 14 2H4 C3' 28 -0.278 1.622 1.622 316 H5 C 14 H5 C3' 28 2.647 3.920 3.920 317 H6 C 14 H6 C3' 28 4.882 3.114 3.114 318 1H5* C 1 1H5' C5' 29 5.842 -7.537 -7.537 319 2H5* C 1 2H5' C5' 29 6.543 -8.548 -8.548 320 H4* C 1 H4' C5' 29 8.201 -6.775 -6.775 321 H3* C 1 H3' C5' 29 6.814 -5.269 -5.269 322 1H2* C 1 1H2' C5' 29 8.477 -4.019 -4.019 323 2H2* C 1 2H2' C5' 29 7.099 -3.394 -3.394 324 H1* C 1 H1' C5' 29 6.886 -4.492 -4.492 325 H3 C 1 H3 C5' 29 4.447 -0.571 -0.571 326 1H4 C 1 1H4 C5' 29 1.241 -1.687 -1.687 327 2H4 C 1 2H4 C5' 29 2.222 -0.318 -0.318 328 H5 C 1 H5 C5' 29 2.146 -3.942 -3.942 329 H6 C 1 H6 C5' 29 4.144 -5.367 -5.367 330 H5T C 1 H5' C5' 29 7.865 -7.619 -7.619 331 1H5* T 2 1H5' T 30 10.146 -2.944 -2.944 332 2H5* T 2 2H5' T 30 11.218 -2.851 -2.851 333 H4* T 2 H4' T 30 10.774 -0.663 -0.663 334 H3* T 2 H3' T 30 10.706 -1.178 -1.178 335 1H2* T 2 1H2' T 30 8.725 0.724 0.724 336 2H2* T 2 2H2' T 30 8.307 -1.000 -1.000 337 H1* T 2 H1' T 30 8.340 1.158 1.158 338 H3 T 2 H3 T 30 3.708 1.182 1.182 339 1H5M T 2 1H5M T 30 5.041 -3.763 -3.763 340 2H5M T 2 2H5M T 30 3.613 -3.530 -3.530 341 3H5M T 2 3H5M T 30 5.221 -3.776 -3.776 342 H6 T 2 H6 T 30 6.967 -2.299 -2.299 343 1H5* C 3 1H5' C 31 10.813 3.059 3.059 344 2H5* C 3 2H5' C 31 9.563 1.868 1.868 345 H4* C 3 H4' C 31 9.442 4.866 4.866 346 H3* C 3 H3' C 31 8.239 3.041 3.041 347 1H2* C 3 1H2' C 31 6.763 5.551 5.551 348 2H2* C 3 2H2' C 31 6.236 3.896 3.896 349 H1* C 3 H1' C 31 6.567 5.169 5.169 350 H3 C 3 H3 C 31 2.370 3.151 3.151 351 1H4 C 3 1H4 C 31 2.636 -0.311 -0.311 352 2H4 C 3 2H4 C 31 1.578 1.027 1.027 353 H5 C 3 H5 C 31 5.076 -0.013 -0.013 354 H6 C 3 H6 C 31 6.825 1.645 1.645 355 1H5* T 4 1H5' T 32 7.739 7.410 7.410 356 2H5* T 4 2H5' T 32 8.061 8.083 8.083 357 H4* T 4 H4' T 32 5.950 8.926 8.926 358 H3* T 4 H3' T 32 6.304 8.046 8.046 359 1H2* T 4 1H2' T 32 3.638 7.294 7.294 360 2H2* T 4 2H2' T 32 4.984 6.169 6.169 361 H1* T 4 H1' T 32 3.188 7.450 7.450 362 H3 T 4 H3 T 32 1.160 3.437 3.437 363 1H5M T 4 1H5M T 32 5.115 1.547 1.547 364 2H5M T 4 2H5M T 32 5.273 1.161 1.161 365 3H5M T 4 3H5M T 32 6.291 2.404 2.404 366 H6 T 4 H6 T 32 5.473 4.581 4.581 367 1H5* C 5 1H5' C 33 2.372 10.346 10.346 368 2H5* C 5 2H5' C 33 1.861 11.425 11.425 369 H4* C 5 H4' C 33 -0.062 10.279 10.279 370 H3* C 5 H3' C 33 0.625 9.844 9.844 371 1H2* C 5 1H2' C 33 -1.648 8.241 8.241 372 2H2* C 5 2H2' C 33 -0.047 7.629 7.629 373 H1* C 5 H1' C 33 -1.325 8.029 8.029 374 H3 C 5 H3 C 33 -1.558 3.346 3.346 375 1H4 C 5 1H4 C 33 1.378 1.901 1.901 376 2H4 C 5 2H4 C 33 -0.163 1.604 1.604 377 H5 C 5 H5 C 33 2.182 4.136 4.136 378 H6 C 5 H6 C 33 1.649 6.509 6.509 379 1H5* T 6 1H5' T3' 34 -3.588 9.865 9.865 380 2H5* T 6 2H5' T3' 34 -4.794 10.680 10.680 381 H4* T 6 H4' T3' 34 -5.666 8.537 8.537 382 H3* T 6 H3' T3' 34 -5.632 9.211 9.211 383 1H2* T 6 1H2' T3' 34 -5.590 6.545 6.545 384 2H2* T 6 2H2' T3' 34 -4.092 7.518 7.518 385 H1* T 6 H1' T3' 34 -5.427 5.961 5.961 386 H3 T 6 H3 T3' 34 -2.795 2.219 2.219 387 1H5M T 6 1H5M T3' 34 0.851 4.875 4.875 388 2H5M T 6 2H5M T3' 34 0.038 6.272 6.272 389 3H5M T 6 3H5M T3' 34 0.014 4.695 4.695 390 H6 T 6 H6 T3' 34 -2.129 6.734 6.734 Start of MODEL 6 1 1H5* G 1 1H5' G5' 1 -5.661 -6.973 -6.973 2 2H5* G 1 2H5' G5' 1 -6.270 -7.980 -7.980 3 H4* G 1 H4' G5' 1 -3.837 -8.213 -8.213 4 H3* G 1 H3' G5' 1 -5.095 -7.745 -7.745 5 1H2* G 1 1H2' G5' 1 -3.095 -6.129 -6.129 6 2H2* G 1 2H2' G5' 1 -4.462 -5.428 -5.428 7 H1* G 1 H1' G5' 1 -1.787 -6.334 -6.334 8 H8 G 1 H8 G5' 1 -4.474 -3.510 -3.510 9 H1 G 1 H1 G5' 1 1.614 -1.441 -1.441 10 1H2 G 1 1H2 G5' 1 3.009 -3.191 -3.191 11 2H2 G 1 2H2 G5' 1 2.430 -4.841 -4.841 12 H5T G 1 H5' G5' 1 -6.302 -6.111 -6.111 13 1H5* A 2 1H5' A 2 -0.351 -8.280 -8.280 14 2H5* A 2 2H5' A 2 0.041 -9.513 -9.513 15 H4* A 2 H4' A 2 1.889 -7.983 -7.983 16 H3* A 2 H3' A 2 0.584 -8.547 -8.547 17 1H2* A 2 1H2' A 2 1.111 -6.071 -6.071 18 2H2* A 2 2H2' A 2 -0.394 -6.381 -6.381 19 H1* A 2 H1' A 2 2.239 -5.386 -5.386 20 H8 A 2 H8 A 2 -1.614 -4.655 -4.655 21 1H6 A 2 1H6 A 2 -0.025 1.310 1.310 22 2H6 A 2 2H6 A 2 -1.355 0.177 0.177 23 H2 A 2 H2 A 2 3.736 -1.111 -1.111 24 1H5* C 3 1H5' C 3 4.990 -6.484 -6.484 25 2H5* C 3 2H5' C 3 5.899 -7.178 -7.178 26 H4* C 3 H4' C 3 6.553 -4.836 -4.836 27 H3* C 3 H3' C 3 5.480 -5.758 -5.758 28 1H2* C 3 1H2' C 3 5.538 -2.998 -2.998 29 2H2* C 3 2H2' C 3 4.099 -4.045 -4.045 30 H1* C 3 H1' C 3 5.481 -2.341 -2.341 31 1H4 C 3 1H4 C 3 -1.202 -1.338 -1.338 32 2H4 C 3 2H4 C 3 -0.473 0.241 0.241 33 H5 C 3 H5 C 3 0.136 -3.418 -3.418 34 H6 C 3 H6 C 3 2.405 -4.298 -4.298 35 1H5* T 4 1H5' T 4 8.808 -2.321 -2.321 36 2H5* T 4 2H5' T 4 9.783 -2.429 -2.429 37 H4* T 4 H4' T 4 9.078 -0.108 -0.108 38 H3* T 4 H3' T 4 8.350 -1.382 -1.382 39 1H2* T 4 1H2' T 4 7.200 1.242 1.242 40 2H2* T 4 2H2' T 4 6.294 -0.287 -0.287 41 H1* T 4 H1' T 4 6.950 1.490 1.490 42 H3 T 4 H3 T 4 2.403 2.205 2.205 43 1H5M T 4 1H5M T 4 1.604 -2.080 -2.080 44 2H5M T 4 2H5M T 4 2.162 -2.677 -2.677 45 3H5M T 4 3H5M T 4 3.182 -2.912 -2.912 46 H6 T 4 H6 T 4 5.063 -1.706 -1.706 47 1H5* G 5 1H5' G 5 9.723 3.003 3.003 48 2H5* G 5 2H5' G 5 10.794 3.225 3.225 49 H4* G 5 H4' G 5 9.304 5.141 5.141 50 H3* G 5 H3' G 5 9.678 3.819 3.819 51 1H2* G 5 1H2' G 5 7.086 4.408 4.408 52 2H2* G 5 2H2' G 5 7.596 2.853 2.853 53 H1* G 5 H1' G 5 6.299 5.200 5.200 54 H8 G 5 H8 G 5 6.407 1.243 1.243 55 H1 G 5 H1 G 5 0.885 3.699 3.699 56 1H2 G 5 1H2 G 5 1.084 5.926 5.926 57 2H2 G 5 2H2 G 5 2.575 6.764 6.764 58 1H5* A 6 1H5' A 6 6.707 8.497 8.497 59 2H5* A 6 2H5' A 6 6.136 6.874 6.874 60 H4* A 6 H4' A 6 5.303 8.292 8.292 61 H3* A 6 H3' A 6 4.375 8.799 8.799 62 1H2* A 6 1H2' A 6 2.009 7.517 7.517 63 2H2* A 6 2H2' A 6 3.434 6.637 6.637 64 H1* A 6 H1' A 6 2.595 6.815 6.815 65 H8 A 6 H8 A 6 4.689 4.152 4.152 66 1H6 A 6 1H6 A 6 -0.392 0.611 0.611 67 2H6 A 6 2H6 A 6 1.300 0.571 0.571 68 H2 A 6 H2 A 6 -1.361 4.929 4.929 69 1H5* G 7 1H5' G 7 -0.053 9.989 9.989 70 2H5* G 7 2H5' G 7 -0.139 11.314 11.314 71 H4* G 7 H4' G 7 -1.832 9.690 9.690 72 H3* G 7 H3' G 7 0.436 9.961 9.961 73 1H2* G 7 1H2' G 7 -1.078 7.844 7.844 74 2H2* G 7 2H2' G 7 0.459 7.738 7.738 75 H1* G 7 H1' G 7 -2.283 7.438 7.438 76 H8 G 7 H8 G 7 1.402 5.957 5.957 77 H1 G 7 H1 G 7 -3.191 1.600 1.600 78 1H2 G 7 1H2 G 7 -5.171 2.551 2.551 79 2H2 G 7 2H2 G 7 -5.398 4.285 4.285 80 1H5* A 8 1H5' A 8 -4.610 9.111 9.111 81 2H5* A 8 2H5' A 8 -3.235 8.003 8.003 82 H4* A 8 H4' A 8 -5.259 7.709 7.709 83 H3* A 8 H3' A 8 -5.623 7.141 7.141 84 1H2* A 8 1H2' A 8 -5.585 4.439 4.439 85 2H2* A 8 2H2' A 8 -4.123 5.340 5.340 86 H1* A 8 H1' A 8 -4.916 4.643 4.643 87 H8 A 8 H8 A 8 -1.467 5.589 5.589 88 1H6 A 8 1H6 A 8 -0.030 -0.438 -0.438 89 2H6 A 8 2H6 A 8 0.577 1.185 1.185 90 H2 A 8 H2 A 8 -4.397 -0.071 -0.071 91 1H5* G 9 1H5' G 9 -8.164 3.751 3.751 92 2H5* G 9 2H5' G 9 -9.660 3.718 3.718 93 H4* G 9 H4' G 9 -8.622 1.532 1.532 94 H3* G 9 H3' G 9 -8.909 3.058 3.058 95 1H2* G 9 1H2' G 9 -7.267 0.975 0.975 96 2H2* G 9 2H2' G 9 -6.717 2.603 2.603 97 H1* G 9 H1' G 9 -6.779 0.245 0.245 98 H8 G 9 H8 G 9 -4.429 3.305 3.305 99 H1 G 9 H1 G 9 -1.654 -2.488 -2.488 100 1H2 G 9 1H2 G 9 -3.208 -4.066 -4.066 101 2H2 G 9 2H2 G 9 -4.896 -3.665 -3.665 102 1H5* A 10 1H5' A 10 -8.710 -1.459 -1.459 103 2H5* A 10 2H5' A 10 -9.917 -2.264 -2.264 104 H4* A 10 H4' A 10 -7.864 -3.520 -3.520 105 H3* A 10 H3' A 10 -9.065 -2.370 -2.370 106 1H2* A 10 1H2' A 10 -6.617 -2.401 -2.401 107 2H2* A 10 2H2' A 10 -7.160 -0.953 -0.953 108 H1* A 10 H1' A 10 -5.513 -3.235 -3.235 109 H8 A 10 H8 A 10 -5.452 0.593 0.593 110 1H6 A 10 1H6 A 10 0.714 -0.424 -0.424 111 2H6 A 10 2H6 A 10 -0.518 0.818 0.818 112 H2 A 10 H2 A 10 -1.525 -4.346 -4.346 113 1H5* C 11 1H5' C 11 -6.840 -6.660 -6.660 114 2H5* C 11 2H5' C 11 -7.592 -7.646 -7.646 115 H4* C 11 H4' C 11 -5.158 -8.188 -8.188 116 H3* C 11 H3' C 11 -6.374 -7.425 -7.425 117 1H2* C 11 1H2' C 11 -3.789 -6.947 -6.947 118 2H2* C 11 2H2' C 11 -5.023 -5.697 -5.697 119 H1* C 11 H1' C 11 -2.863 -6.911 -6.911 120 1H4 C 11 1H4 C 11 -2.424 -0.182 -0.182 121 2H4 C 11 2H4 C 11 -0.790 -0.803 -0.803 122 H5 C 11 H5 C 11 -4.393 -1.653 -1.653 123 H6 C 11 H6 C 11 -5.093 -3.959 -3.959 124 1H5* G 12 1H5' G 12 -2.385 -10.078 -10.078 125 2H5* G 12 2H5' G 12 -2.668 -11.269 -11.269 126 H4* G 12 H4' G 12 -0.368 -10.366 -10.366 127 H3* G 12 H3' G 12 -2.059 -10.529 -10.529 128 1H2* G 12 1H2' G 12 -0.620 -8.368 -8.368 129 2H2* G 12 2H2' G 12 -2.231 -8.202 -8.202 130 H1* G 12 H1' G 12 0.526 -7.901 -7.901 131 H8 G 12 H8 G 12 -3.083 -6.393 -6.393 132 H1 G 12 H1 G 12 1.608 -2.139 -2.139 133 1H2 G 12 1H2 G 12 3.589 -3.192 -3.192 134 2H2 G 12 2H2 G 12 3.724 -4.924 -4.924 135 1H5* T 13 1H5' T 13 2.464 -9.598 -9.598 136 2H5* T 13 2H5' T 13 3.362 -10.476 -10.476 137 H4* T 13 H4' T 13 4.436 -8.339 -8.339 138 H3* T 13 H3' T 13 3.475 -9.089 -9.089 139 1H2* T 13 1H2' T 13 3.824 -6.337 -6.337 140 2H2* T 13 2H2' T 13 2.220 -7.142 -7.142 141 H1* T 13 H1' T 13 4.076 -5.783 -5.783 142 H3 T 13 H3 T 13 1.519 -1.951 -1.951 143 1H5M T 13 1H5M T 13 -2.435 -4.476 -4.476 144 2H5M T 13 2H5M T 13 -1.844 -6.135 -6.135 145 3H5M T 13 3H5M T 13 -1.907 -5.050 -5.050 146 H6 T 13 H6 T 13 0.515 -6.579 -6.579 147 1H5* A 14 1H5' A3' 14 6.927 -5.841 -5.841 148 2H5* A 14 2H5' A3' 14 8.128 -6.315 -6.315 149 H4* A 14 H4' A3' 14 7.710 -3.908 -3.908 150 H3* A 14 H3' A3' 14 7.616 -5.603 -5.603 151 1H2* A 14 1H2' A3' 14 5.557 -4.266 -4.266 152 2H2* A 14 2H2' A3' 14 5.245 -5.667 -5.667 153 H1* A 14 H1' A3' 14 5.317 -2.722 -2.722 154 H8 A 14 H8 A3' 14 3.048 -5.636 -5.636 155 1H6 A 14 1H6 A3' 14 -1.457 -1.866 -1.866 156 2H6 A 14 2H6 A3' 14 -1.138 -3.422 -3.422 157 H2 A 14 H2 A3' 14 2.493 0.142 0.142 158 1H5* T 1 1H5' T5' 15 -1.095 7.712 7.712 159 2H5* T 1 2H5' T5' 15 -0.852 8.631 8.631 160 H4* T 1 H4' T5' 15 0.517 6.540 6.540 161 H3* T 1 H3' T5' 15 -1.445 7.100 7.100 162 1H2* T 1 1H2' T5' 15 -0.805 4.447 4.447 163 2H2* T 1 2H2' T5' 15 -2.338 4.985 4.985 164 H1* T 1 H1' T5' 15 0.287 4.212 4.212 165 H3 T 1 H3 T5' 15 -0.575 -0.114 -0.114 166 1H5M T 1 1H5M T5' 15 -5.299 2.333 2.333 167 2H5M T 1 2H5M T5' 15 -5.107 0.577 0.577 168 3H5M T 1 3H5M T5' 15 -5.265 1.334 1.334 169 H6 T 1 H6 T5' 15 -3.359 3.663 3.663 170 H5T T 1 H5' T5' 15 -3.001 6.858 6.858 171 1H5* A 2 1H5' A 16 3.176 7.212 7.212 172 2H5* A 2 2H5' A 16 4.092 8.438 8.438 173 H4* A 2 H4' A 16 5.552 6.613 6.613 174 H3* A 2 H3' A 16 5.350 7.399 7.399 175 1H2* A 2 1H2' A 16 5.184 4.849 4.849 176 2H2* A 2 2H2' A 16 3.719 5.783 5.783 177 H1* A 2 H1' A 16 5.160 3.666 3.666 178 H8 A 2 H8 A 16 1.640 4.955 4.955 179 1H6 A 2 1H6 A 16 -0.267 -0.751 -0.751 180 2H6 A 2 2H6 A 16 -0.728 0.790 0.790 181 H2 A 2 H2 A 16 4.058 -0.367 -0.367 182 1H5* C 3 1H5' C 17 8.080 3.542 3.542 183 2H5* C 3 2H5' C 17 9.499 3.564 3.564 184 H4* C 3 H4' C 17 8.734 1.281 1.281 185 H3* C 3 H3' C 17 8.688 2.449 2.449 186 1H2* C 3 1H2' C 17 7.495 0.123 0.123 187 2H2* C 3 2H2' C 17 6.732 1.778 1.778 188 H1* C 3 H1' C 17 6.941 -0.386 -0.386 189 1H4 C 3 1H4 C 17 0.535 1.012 1.012 190 2H4 C 3 2H4 C 17 0.556 -0.673 -0.673 191 H5 C 3 H5 C 17 2.545 2.431 2.431 192 H6 C 3 H6 C 17 4.908 2.484 2.484 193 1H5* G 4 1H5' G 18 9.608 -2.127 -2.127 194 2H5* G 4 2H5' G 18 10.805 -2.609 -2.609 195 H4* G 4 H4' G 18 8.977 -4.230 -4.230 196 H3* G 4 H3' G 18 9.445 -2.772 -2.772 197 1H2* G 4 1H2' G 18 7.174 -4.146 -4.146 198 2H2* G 4 2H2' G 18 7.417 -2.430 -2.430 199 H1* G 4 H1' G 18 6.506 -4.610 -4.610 200 H8 G 4 H8 G 18 6.092 -0.850 -0.850 201 H1 G 4 H1 G 18 0.542 -3.951 -3.951 202 1H2 G 4 1H2 G 18 0.930 -6.115 -6.115 203 2H2 G 4 2H2 G 18 2.548 -6.775 -6.775 204 1H5* T 5 1H5' T 19 8.216 -7.571 -7.571 205 2H5* T 5 2H5' T 19 7.366 -6.019 -6.019 206 H4* T 5 H4' T 19 6.437 -8.355 -8.355 207 H3* T 5 H3' T 19 6.334 -8.196 -8.196 208 1H2* T 5 1H2' T 19 3.797 -7.267 -7.267 209 2H2* T 5 2H2' T 19 5.166 -6.121 -6.121 210 H1* T 5 H1' T 19 3.435 -7.222 -7.222 211 H3 T 5 H3 T 19 0.944 -3.310 -3.310 212 1H5M T 5 1H5M T 19 6.139 -2.036 -2.036 213 2H5M T 5 2H5M T 19 5.050 -1.461 -1.461 214 3H5M T 5 3H5M T 19 4.926 -0.802 -0.802 215 H6 T 5 H6 T 19 5.545 -4.329 -4.329 216 1H5* C 6 1H5' C 20 2.021 -9.721 -9.721 217 2H5* C 6 2H5' C 20 1.549 -10.930 -10.930 218 H4* C 6 H4' C 20 -0.168 -9.212 -9.212 219 H3* C 6 H3' C 20 1.453 -9.073 -9.073 220 1H2* C 6 1H2' C 20 -1.073 -7.553 -7.553 221 2H2* C 6 2H2' C 20 0.594 -7.104 -7.104 222 H1* C 6 H1' C 20 -0.805 -6.897 -6.897 223 1H4 C 6 1H4 C 20 2.891 -1.416 -1.416 224 2H4 C 6 2H4 C 20 1.265 -0.861 -0.861 225 H5 C 6 H5 C 20 3.445 -3.833 -3.833 226 H6 C 6 H6 C 20 2.585 -6.066 -6.066 227 1H5* T 7 1H5' T 21 -3.348 -10.006 -10.006 228 2H5* T 7 2H5' T 21 -2.360 -8.549 -8.549 229 H4* T 7 H4' T 21 -4.903 -8.838 -8.838 230 H3* T 7 H3' T 21 -4.711 -8.383 -8.383 231 1H2* T 7 1H2' T 21 -4.850 -5.809 -5.809 232 2H2* T 7 2H2' T 21 -3.353 -6.755 -6.755 233 H1* T 7 H1' T 21 -5.098 -5.467 -5.467 234 H3 T 7 H3 T 21 -2.388 -1.745 -1.745 235 1H5M T 7 1H5M T 21 1.217 -4.538 -4.538 236 2H5M T 7 2H5M T 21 1.315 -4.846 -4.846 237 3H5M T 7 3H5M T 21 0.745 -6.121 -6.121 238 H6 T 7 H6 T 21 -1.590 -6.426 -6.426 239 1H5* C 8 1H5' C 22 -8.808 -5.374 -5.374 240 2H5* C 8 2H5' C 22 -7.090 -5.043 -5.043 241 H4* C 8 H4' C 22 -8.868 -3.548 -3.548 242 H3* C 8 H3' C 22 -8.890 -3.329 -3.329 243 1H2* C 8 1H2' C 22 -7.235 -1.207 -1.207 244 2H2* C 8 2H2' C 22 -6.547 -2.874 -2.874 245 H1* C 8 H1' C 22 -6.997 -1.008 -1.008 246 1H4 C 8 1H4 C 22 -0.442 -2.163 -2.163 247 2H4 C 8 2H4 C 22 -0.581 -0.433 -0.433 248 H5 C 8 H5 C 22 -2.362 -3.606 -3.606 249 H6 C 8 H6 C 22 -4.769 -3.795 -3.795 250 1H5* T 9 1H5' T 23 -10.427 1.244 1.244 251 2H5* T 9 2H5' T 23 -8.877 0.454 0.454 252 H4* T 9 H4' T 23 -9.289 3.052 3.052 253 H3* T 9 H3' T 23 -9.335 2.735 2.735 254 1H2* T 9 1H2' T 23 -6.713 3.379 3.379 255 2H2* T 9 2H2' T 23 -7.161 1.700 1.700 256 H1* T 9 H1' T 23 -6.245 3.719 3.719 257 H3 T 9 H3 T 23 -2.024 1.976 1.976 258 1H5M T 9 1H5M T 23 -5.497 -2.137 -2.137 259 2H5M T 9 2H5M T 23 -4.109 -2.076 -2.076 260 3H5M T 9 3H5M T 23 -3.860 -2.415 -2.415 261 H6 T 9 H6 T 23 -6.343 0.044 0.044 262 1H5* C 10 1H5' C 24 -6.896 6.756 6.756 263 2H5* C 10 2H5' C 24 -7.662 7.984 7.984 264 H4* C 10 H4' C 24 -5.388 8.646 8.646 265 H3* C 10 H3' C 24 -6.406 8.103 8.103 266 1H2* C 10 1H2' C 24 -3.824 7.861 7.861 267 2H2* C 10 2H2' C 24 -4.948 6.476 6.476 268 H1* C 10 H1' C 24 -2.889 7.763 7.763 269 1H4 C 10 1H4 C 24 -1.838 1.155 1.155 270 2H4 C 10 2H4 C 24 -0.259 1.907 1.907 271 H5 C 10 H5 C 24 -3.930 2.427 2.427 272 H6 C 10 H6 C 24 -4.836 4.657 4.657 273 1H5* A 11 1H5' A 25 -2.540 10.679 10.679 274 2H5* A 11 2H5' A 25 -2.709 11.974 11.974 275 H4* A 11 H4' A 25 -0.587 10.710 10.710 276 H3* A 11 H3' A 25 -2.588 10.919 10.919 277 1H2* A 11 1H2' A 25 -0.668 9.060 9.060 278 2H2* A 11 2H2' A 25 -2.384 8.738 8.738 279 H1* A 11 H1' A 25 0.182 8.520 8.520 280 H8 A 11 H8 A 25 -3.296 6.774 6.774 281 1H6 A 11 1H6 A 25 -0.232 1.458 1.458 282 2H6 A 11 2H6 A 25 -1.777 2.188 2.188 283 H2 A 11 H2 A 25 2.658 4.829 4.829 284 1H5* G 12 1H5' G 26 2.026 10.974 10.974 285 2H5* G 12 2H5' G 26 2.701 11.770 11.770 286 H4* G 12 H4' G 26 3.927 9.720 9.720 287 H3* G 12 H3' G 26 2.755 10.055 10.055 288 1H2* G 12 1H2' G 26 3.436 7.435 7.435 289 2H2* G 12 2H2' G 26 1.776 8.050 8.050 290 H1* G 12 H1' G 26 3.819 7.150 7.150 291 H8 G 12 H8 G 26 0.091 7.095 7.095 292 H1 G 12 H1 G 26 2.711 1.314 1.314 293 1H2 G 12 1H2 G 26 4.923 1.553 1.553 294 2H2 G 12 2H2 G 26 5.699 3.121 3.121 295 1H5* T 13 1H5' T 27 6.607 7.472 7.472 296 2H5* T 13 2H5' T 27 7.855 7.902 7.902 297 H4* T 13 H4' T 27 8.043 5.568 5.568 298 H3* T 13 H3' T 27 8.137 6.396 6.396 299 1H2* T 13 1H2' T 27 6.923 4.106 4.106 300 2H2* T 13 2H2' T 27 6.023 5.588 5.588 301 H1* T 13 H1' T 27 6.554 3.240 3.240 302 H3 T 13 H3 T 27 2.281 1.520 1.520 303 1H5M T 13 1H5M T 27 0.685 6.020 6.020 304 2H5M T 13 2H5M T 27 2.038 6.714 6.714 305 3H5M T 13 3H5M T 27 0.978 5.533 5.533 306 H6 T 13 H6 T 27 4.081 5.803 5.803 307 1H5* C 14 1H5' C3' 28 8.904 1.830 1.830 308 2H5* C 14 2H5' C3' 28 10.192 1.179 1.179 309 H4* C 14 H4' C3' 28 8.363 -0.433 -0.433 310 H3* C 14 H3' C3' 28 9.230 0.525 0.525 311 1H2* C 14 1H2' C3' 28 6.866 -0.644 -0.644 312 2H2* C 14 2H2' C3' 28 7.072 1.116 1.116 313 H1* C 14 H1' C3' 28 6.109 -0.933 -0.933 314 1H4 C 14 1H4 C3' 28 1.019 3.240 3.240 315 2H4 C 14 2H4 C3' 28 0.327 1.656 1.656 316 H5 C 14 H5 C3' 28 3.462 3.666 3.666 317 H6 C 14 H6 C3' 28 5.603 2.649 2.649 318 1H5* C 1 1H5' C5' 29 5.880 -8.800 -8.800 319 2H5* C 1 2H5' C5' 29 4.313 -8.049 -8.049 320 H4* C 1 H4' C5' 29 6.914 -7.520 -7.520 321 H3* C 1 H3' C5' 29 5.514 -5.921 -5.921 322 1H2* C 1 1H2' C5' 29 7.519 -4.811 -4.811 323 2H2* C 1 2H2' C5' 29 6.133 -4.064 -4.064 324 H1* C 1 H1' C5' 29 6.036 -5.082 -5.082 325 H3 C 1 H3 C5' 29 4.023 -0.887 -0.887 326 1H4 C 1 1H4 C5' 29 0.631 -1.638 -1.638 327 2H4 C 1 2H4 C5' 29 1.793 -0.379 -0.379 328 H5 C 1 H5 C5' 29 1.236 -3.974 -3.974 329 H6 C 1 H6 C5' 29 3.057 -5.628 -5.628 330 H5T C 1 H5' C5' 29 4.583 -10.103 -10.103 331 1H5* T 2 1H5' T 30 9.309 -4.003 -4.003 332 2H5* T 2 2H5' T 30 10.183 -4.231 -4.231 333 H4* T 2 H4' T 30 10.256 -1.889 -1.889 334 H3* T 2 H3' T 30 9.511 -2.771 -2.771 335 1H2* T 2 1H2' T 30 7.752 -0.653 -0.653 336 2H2* T 2 2H2' T 30 7.223 -2.269 -2.269 337 H1* T 2 H1' T 30 7.922 0.148 0.148 338 H3 T 2 H3 T 30 3.461 0.894 0.894 339 1H5M T 2 1H5M T 30 3.762 -4.193 -4.193 340 2H5M T 2 2H5M T 30 2.528 -3.716 -3.716 341 3H5M T 2 3H5M T 30 4.128 -4.254 -4.254 342 H6 T 2 H6 T 30 5.990 -3.080 -3.080 343 1H5* C 3 1H5' C 31 10.215 2.102 2.102 344 2H5* C 3 2H5' C 31 10.857 2.593 2.593 345 H4* C 3 H4' C 31 9.252 4.239 4.239 346 H3* C 3 H3' C 31 8.101 2.434 2.434 347 1H2* C 3 1H2' C 31 6.907 5.089 5.089 348 2H2* C 3 2H2' C 31 6.185 3.535 3.535 349 H1* C 3 H1' C 31 6.593 4.665 4.665 350 H3 C 3 H3 C 31 2.184 3.198 3.198 351 1H4 C 3 1H4 C 31 1.973 -0.238 -0.238 352 2H4 C 3 2H4 C 31 1.109 1.198 1.198 353 H5 C 3 H5 C 31 4.396 -0.239 -0.239 354 H6 C 3 H6 C 31 6.379 1.166 1.166 355 1H5* T 4 1H5' T 32 8.081 6.850 6.850 356 2H5* T 4 2H5' T 32 8.467 7.499 7.499 357 H4* T 4 H4' T 32 6.458 8.539 8.539 358 H3* T 4 H3' T 32 6.714 7.729 7.729 359 1H2* T 4 1H2' T 32 4.003 7.180 7.180 360 2H2* T 4 2H2' T 32 5.253 5.952 5.952 361 H1* T 4 H1' T 32 3.552 7.356 7.356 362 H3 T 4 H3 T 32 1.128 3.552 3.552 363 1H5M T 4 1H5M T 32 4.961 1.408 1.408 364 2H5M T 4 2H5M T 32 4.961 0.865 0.865 365 3H5M T 4 3H5M T 32 6.148 2.044 2.044 366 H6 T 4 H6 T 32 5.550 4.291 4.291 367 1H5* C 5 1H5' C 33 2.897 10.188 10.188 368 2H5* C 5 2H5' C 33 2.489 11.359 11.359 369 H4* C 5 H4' C 33 0.470 10.308 10.308 370 H3* C 5 H3' C 33 1.232 9.853 9.853 371 1H2* C 5 1H2' C 33 -1.233 8.519 8.519 372 2H2* C 5 2H2' C 33 0.272 7.713 7.713 373 H1* C 5 H1' C 33 -0.950 8.174 8.174 374 H3 C 5 H3 C 33 -1.494 3.514 3.514 375 1H4 C 5 1H4 C 33 1.361 1.901 1.901 376 2H4 C 5 2H4 C 33 -0.201 1.683 1.683 377 H5 C 5 H5 C 33 2.308 4.077 4.077 378 H6 C 5 H6 C 33 1.919 6.493 6.493 379 1H5* T 6 1H5' T3' 34 -4.298 10.874 10.874 380 2H5* T 6 2H5' T3' 34 -3.197 9.626 9.626 381 H4* T 6 H4' T3' 34 -5.128 9.231 9.231 382 H3* T 6 H3' T3' 34 -5.577 8.948 8.948 383 1H2* T 6 1H2' T3' 34 -5.565 6.231 6.231 384 2H2* T 6 2H2' T3' 34 -4.064 7.122 7.122 385 H1* T 6 H1' T3' 34 -5.075 6.385 6.385 386 H3 T 6 H3 T3' 34 -2.676 2.419 2.419 387 1H5M T 6 1H5M T3' 34 1.148 4.899 4.899 388 2H5M T 6 2H5M T3' 34 0.438 6.374 6.374 389 3H5M T 6 3H5M T3' 34 0.356 4.843 4.843 390 H6 T 6 H6 T3' 34 -1.766 6.899 6.899 Start of MODEL 7 1 1H5* G 1 1H5' G5' 1 -4.233 -7.588 -7.588 2 2H5* G 1 2H5' G5' 1 -4.853 -8.558 -8.558 3 H4* G 1 H4' G5' 1 -2.397 -8.577 -8.577 4 H3* G 1 H3' G5' 1 -3.885 -8.067 -8.067 5 1H2* G 1 1H2' G5' 1 -2.114 -6.215 -6.215 6 2H2* G 1 2H2' G5' 1 -3.465 -5.707 -5.707 7 H1* G 1 H1' G5' 1 -0.637 -6.418 -6.418 8 H8 G 1 H8 G5' 1 -3.556 -3.891 -3.891 9 H1 G 1 H1 G5' 1 2.298 -1.239 -1.239 10 1H2 G 1 1H2 G5' 1 3.840 -2.829 -2.829 11 2H2 G 1 2H2 G5' 1 3.417 -4.519 -4.519 12 H5T G 1 H5' G5' 1 -5.154 -6.618 -6.618 13 1H5* A 2 1H5' A 2 0.884 -8.185 -8.185 14 2H5* A 2 2H5' A 2 1.300 -9.272 -9.272 15 H4* A 2 H4' A 2 2.992 -7.570 -7.570 16 H3* A 2 H3' A 2 1.585 -8.082 -8.082 17 1H2* A 2 1H2' A 2 1.727 -5.494 -5.494 18 2H2* A 2 2H2' A 2 0.362 -6.044 -6.044 19 H1* A 2 H1' A 2 2.978 -4.863 -4.863 20 H8 A 2 H8 A 2 -0.911 -4.525 -4.525 21 1H6 A 2 1H6 A 2 0.115 1.524 1.524 22 2H6 A 2 2H6 A 2 -1.103 0.273 0.273 23 H2 A 2 H2 A 2 4.084 -0.495 -0.495 24 1H5* C 3 1H5' C 3 5.822 -5.810 -5.810 25 2H5* C 3 2H5' C 3 6.762 -6.350 -6.350 26 H4* C 3 H4' C 3 7.398 -4.089 -4.089 27 H3* C 3 H3' C 3 6.611 -4.758 -4.758 28 1H2* C 3 1H2' C 3 6.119 -2.089 -2.089 29 2H2* C 3 2H2' C 3 4.864 -3.340 -3.340 30 H1* C 3 H1' C 3 6.083 -1.466 -1.466 31 1H4 C 3 1H4 C 3 -0.686 -1.300 -1.300 32 2H4 C 3 2H4 C 3 -0.153 0.356 0.356 33 H5 C 3 H5 C 3 0.891 -3.193 -3.193 34 H6 C 3 H6 C 3 3.257 -3.782 -3.782 35 1H5* T 4 1H5' T 4 9.128 -0.661 -0.661 36 2H5* T 4 2H5' T 4 10.180 -0.548 -0.548 37 H4* T 4 H4' T 4 8.971 1.554 1.554 38 H3* T 4 H3' T 4 8.568 0.107 0.107 39 1H2* T 4 1H2' T 4 6.941 2.460 2.460 40 2H2* T 4 2H2' T 4 6.344 0.785 0.785 41 H1* T 4 H1' T 4 6.629 2.689 2.689 42 H3 T 4 H3 T 4 2.032 2.605 2.605 43 1H5M T 4 1H5M T 4 2.640 -2.265 -2.265 44 2H5M T 4 2H5M T 4 3.732 -2.324 -2.324 45 3H5M T 4 3H5M T 4 2.040 -1.790 -1.790 46 H6 T 4 H6 T 4 5.340 -0.794 -0.794 47 1H5* G 5 1H5' G 5 9.134 4.709 4.709 48 2H5* G 5 2H5' G 5 10.117 5.099 5.099 49 H4* G 5 H4' G 5 8.275 6.689 6.689 50 H3* G 5 H3' G 5 8.892 5.466 5.466 51 1H2* G 5 1H2' G 5 6.231 5.474 5.474 52 2H2* G 5 2H2' G 5 7.064 4.069 4.069 53 H1* G 5 H1' G 5 5.314 6.113 6.113 54 H8 G 5 H8 G 5 6.205 2.254 2.254 55 H1 G 5 H1 G 5 0.336 3.569 3.569 56 1H2 G 5 1H2 G 5 0.116 5.810 5.810 57 2H2 G 5 2H2 G 5 1.408 6.921 6.921 58 1H5* A 6 1H5' A 6 4.939 9.288 9.288 59 2H5* A 6 2H5' A 6 4.759 7.558 7.558 60 H4* A 6 H4' A 6 3.615 8.847 8.847 61 H3* A 6 H3' A 6 2.625 9.042 9.042 62 1H2* A 6 1H2' A 6 0.553 7.351 7.351 63 2H2* A 6 2H2' A 6 2.119 6.761 6.761 64 H1* A 6 H1' A 6 1.279 6.845 6.845 65 H8 A 6 H8 A 6 3.831 4.603 4.603 66 1H6 A 6 1H6 A 6 -0.468 0.172 0.172 67 2H6 A 6 2H6 A 6 1.209 0.434 0.434 68 H2 A 6 H2 A 6 -2.220 4.211 4.211 69 1H5* G 7 1H5' G 7 -1.789 9.221 9.221 70 2H5* G 7 2H5' G 7 -2.398 10.466 10.466 71 H4* G 7 H4' G 7 -3.694 8.481 8.481 72 H3* G 7 H3' G 7 -2.018 9.457 9.457 73 1H2* G 7 1H2' G 7 -2.446 6.956 6.956 74 2H2* G 7 2H2' G 7 -0.960 7.316 7.316 75 H1* G 7 H1' G 7 -3.541 6.233 6.233 76 H8 G 7 H8 G 7 0.313 5.574 5.574 77 H1 G 7 H1 G 7 -3.270 0.410 0.410 78 1H2 G 7 1H2 G 7 -5.391 1.008 1.008 79 2H2 G 7 2H2 G 7 -5.909 2.679 2.679 80 1H5* A 8 1H5' A 8 -6.057 7.795 7.795 81 2H5* A 8 2H5' A 8 -4.891 6.546 6.546 82 H4* A 8 H4' A 8 -6.236 6.901 6.901 83 H3* A 8 H3' A 8 -7.272 5.681 5.681 84 1H2* A 8 1H2' A 8 -6.439 3.159 3.159 85 2H2* A 8 2H2' A 8 -5.216 4.259 4.259 86 H1* A 8 H1' A 8 -5.585 3.824 3.824 87 H8 A 8 H8 A 8 -2.463 4.968 4.968 88 1H6 A 8 1H6 A 8 -0.295 -0.849 -0.849 89 2H6 A 8 2H6 A 8 0.121 0.825 0.825 90 H2 A 8 H2 A 8 -4.633 -0.974 -0.974 91 1H5* G 9 1H5' G 9 -10.167 2.696 2.696 92 2H5* G 9 2H5' G 9 -8.474 3.117 3.117 93 H4* G 9 H4' G 9 -9.372 0.503 0.503 94 H3* G 9 H3' G 9 -9.615 1.253 1.253 95 1H2* G 9 1H2' G 9 -7.635 -0.586 -0.586 96 2H2* G 9 2H2' G 9 -7.310 1.117 1.117 97 H1* G 9 H1' G 9 -7.159 -1.084 -1.084 98 H8 G 9 H8 G 9 -5.251 2.244 2.244 99 H1 G 9 H1 G 9 -1.644 -3.076 -3.076 100 1H2 G 9 1H2 G 9 -2.948 -4.869 -4.869 101 2H2 G 9 2H2 G 9 -4.682 -4.729 -4.729 102 1H5* A 10 1H5' A 10 -8.720 -3.236 -3.236 103 2H5* A 10 2H5' A 10 -9.750 -4.223 -4.223 104 H4* A 10 H4' A 10 -7.461 -4.997 -4.997 105 H3* A 10 H3' A 10 -8.752 -3.719 -3.719 106 1H2* A 10 1H2' A 10 -6.155 -4.274 -4.274 107 2H2* A 10 2H2' A 10 -6.792 -2.635 -2.635 108 H1* A 10 H1' A 10 -5.187 -4.452 -4.452 109 H8 A 10 H8 A 10 -5.720 -0.709 -0.709 110 1H6 A 10 1H6 A 10 0.558 -0.786 -0.786 111 2H6 A 10 2H6 A 10 -0.840 0.258 0.258 112 H2 A 10 H2 A 10 -1.077 -4.959 -4.959 113 1H5* C 11 1H5' C 11 -5.998 -7.525 -7.525 114 2H5* C 11 2H5' C 11 -6.495 -8.575 -8.575 115 H4* C 11 H4' C 11 -4.026 -8.355 -8.355 116 H3* C 11 H3' C 11 -5.502 -7.560 -7.560 117 1H2* C 11 1H2' C 11 -2.848 -6.873 -6.873 118 2H2* C 11 2H2' C 11 -4.249 -5.766 -5.766 119 H1* C 11 H1' C 11 -2.161 -6.743 -6.743 120 1H4 C 11 1H4 C 11 -2.332 0.009 0.009 121 2H4 C 11 2H4 C 11 -0.652 -0.452 -0.452 122 H5 C 11 H5 C 11 -4.172 -1.670 -1.670 123 H6 C 11 H6 C 11 -4.657 -4.023 -4.023 124 1H5* G 12 1H5' G 12 -1.425 -10.123 -10.123 125 2H5* G 12 2H5' G 12 -1.639 -11.228 -11.228 126 H4* G 12 H4' G 12 0.694 -10.316 -10.316 127 H3* G 12 H3' G 12 -0.789 -10.495 -10.495 128 1H2* G 12 1H2' G 12 0.534 -8.207 -8.207 129 2H2* G 12 2H2' G 12 -1.117 -8.173 -8.173 130 H1* G 12 H1' G 12 1.571 -7.748 -7.748 131 H8 G 12 H8 G 12 -2.130 -6.489 -6.489 132 H1 G 12 H1 G 12 2.160 -1.925 -1.925 133 1H2 G 12 1H2 G 12 4.218 -2.809 -2.809 134 2H2 G 12 2H2 G 12 4.506 -4.512 -4.512 135 1H5* T 13 1H5' T 13 3.667 -9.264 -9.264 136 2H5* T 13 2H5' T 13 4.676 -10.047 -10.047 137 H4* T 13 H4' T 13 5.585 -7.858 -7.858 138 H3* T 13 H3' T 13 4.820 -8.607 -8.607 139 1H2* T 13 1H2' T 13 4.948 -5.829 -5.829 140 2H2* T 13 2H2' T 13 3.411 -6.771 -6.771 141 H1* T 13 H1' T 13 5.067 -5.293 -5.293 142 H3 T 13 H3 T 13 2.184 -1.702 -1.702 143 1H5M T 13 1H5M T 13 -1.518 -4.534 -4.534 144 2H5M T 13 2H5M T 13 -0.781 -6.130 -6.130 145 3H5M T 13 3H5M T 13 -0.880 -5.006 -5.006 146 H6 T 13 H6 T 13 1.616 -6.365 -6.365 147 1H5* A 14 1H5' A3' 14 7.971 -5.068 -5.068 148 2H5* A 14 2H5' A3' 14 9.257 -5.416 -5.416 149 H4* A 14 H4' A3' 14 8.634 -3.053 -3.053 150 H3* A 14 H3' A3' 14 8.775 -4.716 -4.716 151 1H2* A 14 1H2' A3' 14 6.655 -3.544 -3.544 152 2H2* A 14 2H2' A3' 14 6.426 -4.983 -4.983 153 H1* A 14 H1' A3' 14 6.211 -2.055 -2.055 154 H8 A 14 H8 A3' 14 4.224 -5.141 -5.141 155 1H6 A 14 1H6 A3' 14 -0.666 -1.823 -1.823 156 2H6 A 14 2H6 A3' 14 -0.186 -3.328 -3.328 157 H2 A 14 H2 A3' 14 3.071 0.504 0.504 158 1H5* T 1 1H5' T5' 15 -1.135 7.738 7.738 159 2H5* T 1 2H5' T5' 15 -1.026 8.663 8.663 160 H4* T 1 H4' T5' 15 0.522 6.701 6.701 161 H3* T 1 H3' T5' 15 -1.554 7.069 7.069 162 1H2* T 1 1H2' T5' 15 -0.703 4.476 4.476 163 2H2* T 1 2H2' T5' 15 -2.250 4.883 4.883 164 H1* T 1 H1' T5' 15 0.479 4.357 4.357 165 H3 T 1 H3 T5' 15 0.022 -0.032 -0.032 166 1H5M T 1 1H5M T5' 15 -4.935 2.022 2.022 167 2H5M T 1 2H5M T5' 15 -4.607 0.286 0.286 168 3H5M T 1 3H5M T5' 15 -4.747 1.030 1.030 169 H6 T 1 H6 T5' 15 -3.105 3.508 3.508 170 H5T T 1 H5' T5' 15 -2.989 6.711 6.711 171 1H5* A 2 1H5' A 16 3.076 7.604 7.604 172 2H5* A 2 2H5' A 16 3.859 8.887 8.887 173 H4* A 2 H4' A 16 5.473 7.182 7.182 174 H3* A 2 H3' A 16 5.128 7.932 7.932 175 1H2* A 2 1H2' A 16 5.136 5.370 5.370 176 2H2* A 2 2H2' A 16 3.611 6.181 6.181 177 H1* A 2 H1' A 16 5.278 4.213 4.213 178 H8 A 2 H8 A 16 1.622 5.185 5.185 179 1H6 A 2 1H6 A 16 0.278 -0.672 -0.672 180 2H6 A 2 2H6 A 16 -0.341 0.822 0.822 181 H2 A 2 H2 A 16 4.589 0.092 0.092 182 1H5* C 3 1H5' C 17 8.165 4.287 4.287 183 2H5* C 3 2H5' C 17 9.555 4.435 4.435 184 H4* C 3 H4' C 17 9.006 2.095 2.095 185 H3* C 3 H3' C 17 8.809 3.285 3.285 186 1H2* C 3 1H2' C 17 7.739 0.922 0.922 187 2H2* C 3 2H2' C 17 6.870 2.516 2.516 188 H1* C 3 H1' C 17 7.324 0.297 0.297 189 1H4 C 3 1H4 C 17 0.744 1.141 1.141 190 2H4 C 3 2H4 C 17 0.952 -0.542 -0.542 191 H5 C 3 H5 C 17 2.629 2.741 2.741 192 H6 C 3 H6 C 17 4.995 2.995 2.995 193 1H5* G 4 1H5' G 18 10.073 -1.236 -1.236 194 2H5* G 4 2H5' G 18 11.200 -1.650 -1.650 195 H4* G 4 H4' G 18 9.419 -3.335 -3.335 196 H3* G 4 H3' G 18 9.719 -1.889 -1.889 197 1H2* G 4 1H2' G 18 7.479 -3.370 -3.370 198 2H2* G 4 2H2' G 18 7.656 -1.618 -1.618 199 H1* G 4 H1' G 18 6.940 -3.782 -3.782 200 H8 G 4 H8 G 18 6.301 -0.070 -0.070 201 H1 G 4 H1 G 18 0.965 -3.484 -3.484 202 1H2 G 4 1H2 G 18 1.502 -5.613 -5.613 203 2H2 G 4 2H2 G 18 3.163 -6.159 -6.159 204 1H5* T 5 1H5' T 19 8.231 -6.083 -6.083 205 2H5* T 5 2H5' T 19 8.832 -7.298 -7.298 206 H4* T 5 H4' T 19 6.448 -7.635 -7.635 207 H3* T 5 H3' T 19 7.416 -7.229 -7.229 208 1H2* T 5 1H2' T 19 4.678 -7.006 -7.006 209 2H2* T 5 2H2' T 19 5.854 -5.670 -5.670 210 H1* T 5 H1' T 19 4.082 -6.680 -6.680 211 H3 T 5 H3 T 19 1.241 -3.060 -3.060 212 1H5M T 5 1H5M T 19 5.186 -1.043 -1.043 213 2H5M T 5 2H5M T 19 5.015 -0.251 -0.251 214 3H5M T 5 3H5M T 19 6.320 -1.412 -1.412 215 H6 T 5 H6 T 19 5.933 -3.709 -3.709 216 1H5* C 6 1H5' C 20 3.813 -10.626 -10.626 217 2H5* C 6 2H5' C 20 3.992 -8.872 -8.872 218 H4* C 6 H4' C 20 1.768 -10.218 -10.218 219 H3* C 6 H3' C 20 2.050 -9.725 -9.725 220 1H2* C 6 1H2' C 20 -0.111 -8.032 -8.032 221 2H2* C 6 2H2' C 20 1.607 -7.536 -7.536 222 H1* C 6 H1' C 20 -0.085 -7.802 -7.802 223 1H4 C 6 1H4 C 20 2.545 -1.647 -1.647 224 2H4 C 6 2H4 C 20 0.816 -1.416 -1.416 225 H5 C 6 H5 C 20 3.599 -3.903 -3.903 226 H6 C 6 H6 C 20 3.165 -6.251 -6.251 227 1H5* T 7 1H5' T 21 -2.433 -9.549 -9.549 228 2H5* T 7 2H5' T 21 -3.331 -10.622 -10.622 229 H4* T 7 H4' T 21 -4.502 -8.509 -8.509 230 H3* T 7 H3' T 21 -3.352 -9.298 -9.298 231 1H2* T 7 1H2' T 21 -4.101 -6.825 -6.825 232 2H2* T 7 2H2' T 21 -2.510 -7.524 -7.524 233 H1* T 7 H1' T 21 -4.316 -5.978 -5.978 234 H3 T 7 H3 T 21 -1.855 -2.124 -2.124 235 1H5M T 7 1H5M T 21 1.996 -5.153 -5.153 236 2H5M T 7 2H5M T 21 1.494 -6.379 -6.379 237 3H5M T 7 3H5M T 21 1.970 -4.765 -4.765 238 H6 T 7 H6 T 21 -0.753 -6.782 -6.782 239 1H5* C 8 1H5' C 22 -7.828 -7.365 -7.365 240 2H5* C 8 2H5' C 22 -6.168 -6.763 -6.763 241 H4* C 8 H4' C 22 -8.303 -5.460 -5.460 242 H3* C 8 H3' C 22 -8.149 -5.377 -5.377 243 1H2* C 8 1H2' C 22 -6.889 -2.998 -2.998 244 2H2* C 8 2H2' C 22 -5.946 -4.525 -4.525 245 H1* C 8 H1' C 22 -6.795 -2.688 -2.688 246 1H4 C 8 1H4 C 22 -0.099 -2.902 -2.902 247 2H4 C 8 2H4 C 22 -0.507 -1.204 -1.204 248 H5 C 8 H5 C 22 -1.772 -4.651 -4.651 249 H6 C 8 H6 C 22 -4.144 -5.160 -5.160 250 1H5* T 9 1H5' T 23 -10.368 -1.199 -1.199 251 2H5* T 9 2H5' T 23 -8.675 -1.684 -1.684 252 H4* T 9 H4' T 23 -9.684 0.840 0.840 253 H3* T 9 H3' T 23 -9.516 0.384 0.384 254 1H2* T 9 1H2' T 23 -7.061 1.485 1.485 255 2H2* T 9 2H2' T 23 -7.183 -0.228 -0.228 256 H1* T 9 H1' T 23 -6.758 2.045 2.045 257 H3 T 9 H3 T 23 -2.303 1.177 1.177 258 1H5M T 9 1H5M T 23 -3.225 -3.496 -3.496 259 2H5M T 9 2H5M T 23 -4.877 -3.583 -3.583 260 3H5M T 9 3H5M T 23 -3.522 -3.328 -3.328 261 H6 T 9 H6 T 23 -6.124 -1.615 -1.615 262 1H5* C 10 1H5' C 24 -7.921 5.041 5.041 263 2H5* C 10 2H5' C 24 -8.651 5.945 5.945 264 H4* C 10 H4' C 24 -6.377 6.738 6.738 265 H3* C 10 H3' C 24 -7.212 5.584 5.584 266 1H2* C 10 1H2' C 24 -4.484 5.509 5.509 267 2H2* C 10 2H2' C 24 -5.520 4.108 4.108 268 H1* C 10 H1' C 24 -3.911 5.911 5.911 269 1H4 C 10 1H4 C 24 -1.646 -0.471 -0.471 270 2H4 C 10 2H4 C 24 -0.242 0.565 0.565 271 H5 C 10 H5 C 24 -3.960 0.430 0.430 272 H6 C 10 H6 C 24 -5.262 2.482 2.482 273 1H5* A 11 1H5' A 25 -4.449 9.642 9.642 274 2H5* A 11 2H5' A 25 -5.063 10.571 10.571 275 H4* A 11 H4' A 25 -2.655 10.976 10.976 276 H3* A 11 H3' A 25 -3.701 10.819 10.819 277 1H2* A 11 1H2' A 25 -1.619 9.206 9.206 278 2H2* A 11 2H2' A 25 -3.212 8.578 8.578 279 H1* A 11 H1' A 25 -0.568 8.859 8.859 280 H8 A 11 H8 A 25 -3.625 6.550 6.550 281 1H6 A 11 1H6 A 25 0.012 1.823 1.823 282 2H6 A 11 2H6 A 25 -1.551 2.276 2.276 283 H2 A 11 H2 A 25 2.277 5.614 5.614 284 1H5* G 12 1H5' G 26 1.003 11.239 11.239 285 2H5* G 12 2H5' G 26 1.698 12.136 12.136 286 H4* G 12 H4' G 26 3.008 10.143 10.143 287 H3* G 12 H3' G 26 1.897 10.424 10.424 288 1H2* G 12 1H2' G 26 2.925 7.901 7.901 289 2H2* G 12 2H2' G 26 1.188 8.315 8.315 290 H1* G 12 H1' G 26 3.163 7.667 7.667 291 H8 G 12 H8 G 26 -0.441 7.091 7.091 292 H1 G 12 H1 G 26 2.809 1.793 1.793 293 1H2 G 12 1H2 G 26 4.924 2.352 2.352 294 2H2 G 12 2H2 G 26 5.482 4.010 4.010 295 1H5* T 13 1H5' T 27 5.971 8.389 8.389 296 2H5* T 13 2H5' T 27 7.237 8.905 8.905 297 H4* T 13 H4' T 27 7.616 6.638 6.638 298 H3* T 13 H3' T 27 7.860 7.348 7.348 299 1H2* T 13 1H2' T 27 6.943 4.920 4.920 300 2H2* T 13 2H2' T 27 5.883 6.319 6.319 301 H1* T 13 H1' T 27 6.485 4.101 4.101 302 H3 T 13 H3 T 27 2.398 1.977 1.977 303 1H5M T 13 1H5M T 27 0.426 6.207 6.207 304 2H5M T 13 2H5M T 27 1.789 7.037 7.037 305 3H5M T 13 3H5M T 27 0.973 5.724 5.724 306 H6 T 13 H6 T 27 3.871 6.348 6.348 307 1H5* C 14 1H5' C3' 28 8.960 2.925 2.925 308 2H5* C 14 2H5' C3' 28 10.395 2.364 2.364 309 H4* C 14 H4' C3' 28 8.735 0.575 0.575 310 H3* C 14 H3' C3' 28 9.730 1.470 1.470 311 1H2* C 14 1H2' C3' 28 7.578 0.036 0.036 312 2H2* C 14 2H2' C3' 28 7.585 1.817 1.817 313 H1* C 14 H1' C3' 28 6.653 -0.233 -0.233 314 1H4 C 14 1H4 C3' 28 1.325 3.311 3.311 315 2H4 C 14 2H4 C3' 28 0.776 1.674 1.674 316 H5 C 14 H5 C3' 28 3.688 4.000 4.000 317 H6 C 14 H6 C3' 28 5.874 3.233 3.233 318 1H5* C 1 1H5' C5' 29 6.784 -8.197 -8.197 319 2H5* C 1 2H5' C5' 29 7.635 -7.831 -7.831 320 H4* C 1 H4' C5' 29 8.330 -6.288 -6.288 321 H3* C 1 H3' C5' 29 6.720 -4.985 -4.985 322 1H2* C 1 1H2' C5' 29 8.455 -3.564 -3.564 323 2H2* C 1 2H2' C5' 29 6.985 -3.054 -3.054 324 H1* C 1 H1' C5' 29 6.990 -4.000 -4.000 325 H3 C 1 H3 C5' 29 4.290 -0.268 -0.268 326 1H4 C 1 1H4 C5' 29 1.113 -1.647 -1.647 327 2H4 C 1 2H4 C5' 29 2.016 -0.181 -0.181 328 H5 C 1 H5 C5' 29 2.125 -3.824 -3.824 329 H6 C 1 H6 C5' 29 4.205 -5.122 -5.122 330 H5T C 1 H5' C5' 29 5.389 -8.151 -8.151 331 1H5* T 2 1H5' T 30 9.950 -2.493 -2.493 332 2H5* T 2 2H5' T 30 10.932 -2.372 -2.372 333 H4* T 2 H4' T 30 10.423 -0.195 -0.195 334 H3* T 2 H3' T 30 10.265 -0.759 -0.759 335 1H2* T 2 1H2' T 30 8.162 1.008 1.008 336 2H2* T 2 2H2' T 30 7.853 -0.732 -0.732 337 H1* T 2 H1' T 30 7.856 1.486 1.486 338 H3 T 2 H3 T 30 3.229 1.260 1.260 339 1H5M T 2 1H5M T 30 5.050 -3.587 -3.587 340 2H5M T 2 2H5M T 30 4.777 -3.638 -3.638 341 3H5M T 2 3H5M T 30 3.398 -3.458 -3.458 342 H6 T 2 H6 T 30 6.647 -2.043 -2.043 343 1H5* C 3 1H5' C 31 9.952 3.619 3.619 344 2H5* C 3 2H5' C 31 8.788 2.347 2.347 345 H4* C 3 H4' C 31 8.564 5.303 5.303 346 H3* C 3 H3' C 31 7.323 3.514 3.514 347 1H2* C 3 1H2' C 31 5.767 5.915 5.915 348 2H2* C 3 2H2' C 31 5.314 4.248 4.248 349 H1* C 3 H1' C 31 5.688 5.383 5.383 350 H3 C 3 H3 C 31 1.669 3.040 3.040 351 1H4 C 3 1H4 C 31 2.165 -0.362 -0.362 352 2H4 C 3 2H4 C 31 1.031 0.869 0.869 353 H5 C 3 H5 C 31 4.552 0.144 0.144 354 H6 C 3 H6 C 31 6.162 1.948 1.948 355 1H5* T 4 1H5' T 32 6.641 7.854 7.854 356 2H5* T 4 2H5' T 32 6.841 8.638 8.638 357 H4* T 4 H4' T 32 4.794 9.357 9.357 358 H3* T 4 H3' T 32 4.984 8.773 8.773 359 1H2* T 4 1H2' T 32 2.453 7.690 7.690 360 2H2* T 4 2H2' T 32 3.913 6.713 6.713 361 H1* T 4 H1' T 32 2.041 7.763 7.763 362 H3 T 4 H3 T 32 0.291 3.647 3.647 363 1H5M T 4 1H5M T 32 4.970 2.828 2.828 364 2H5M T 4 2H5M T 32 3.872 1.490 1.490 365 3H5M T 4 3H5M T 32 4.960 2.121 2.121 366 H6 T 4 H6 T 32 4.401 5.020 5.020 367 1H5* C 5 1H5' C 33 0.760 10.186 10.186 368 2H5* C 5 2H5' C 33 0.043 11.288 11.288 369 H4* C 5 H4' C 33 -1.625 9.683 9.683 370 H3* C 5 H3' C 33 -0.594 9.440 9.440 371 1H2* C 5 1H2' C 33 -2.746 7.619 7.619 372 2H2* C 5 2H2' C 33 -1.075 7.184 7.184 373 H1* C 5 H1' C 33 -2.440 7.387 7.387 374 H3 C 5 H3 C 33 -2.167 2.700 2.700 375 1H4 C 5 1H4 C 33 0.959 1.628 1.628 376 2H4 C 5 2H4 C 33 -0.573 1.147 1.147 377 H5 C 5 H5 C 33 1.533 3.961 3.961 378 H6 C 5 H6 C 33 0.726 6.264 6.264 379 1H5* T 6 1H5' T3' 34 -4.908 9.075 9.075 380 2H5* T 6 2H5' T3' 34 -6.087 9.776 9.776 381 H4* T 6 H4' T3' 34 -6.831 7.562 7.562 382 H3* T 6 H3' T3' 34 -6.662 8.249 8.249 383 1H2* T 6 1H2' T3' 34 -6.331 5.601 5.601 384 2H2* T 6 2H2' T3' 34 -4.940 6.709 6.709 385 H1* T 6 H1' T3' 34 -6.278 5.023 5.023 386 H3 T 6 H3 T3' 34 -3.302 1.540 1.540 387 1H5M T 6 1H5M T3' 34 -0.565 4.360 4.360 388 2H5M T 6 2H5M T3' 34 0.182 4.516 4.516 389 3H5M T 6 3H5M T3' 34 -0.702 5.886 5.886 390 H6 T 6 H6 T3' 34 -2.965 6.120 6.120 Start of MODEL 8 1 1H5* G 1 1H5' G5' 1 -6.755 -6.937 -6.937 2 2H5* G 1 2H5' G5' 1 -7.268 -7.881 -7.881 3 H4* G 1 H4' G5' 1 -4.862 -8.145 -8.145 4 H3* G 1 H3' G5' 1 -5.945 -7.536 -7.536 5 1H2* G 1 1H2' G5' 1 -3.887 -5.880 -5.880 6 2H2* G 1 2H2' G5' 1 -5.304 -5.221 -5.221 7 H1* G 1 H1' G5' 1 -2.718 -6.229 -6.229 8 H8 G 1 H8 G5' 1 -5.363 -3.368 -3.368 9 H1 G 1 H1 G5' 1 0.751 -1.433 -1.433 10 1H2 G 1 1H2 G5' 1 2.115 -3.211 -3.211 11 2H2 G 1 2H2 G5' 1 1.506 -4.841 -4.841 12 H5T G 1 H5' G5' 1 -8.123 -5.760 -5.760 13 1H5* A 2 1H5' A 2 -1.200 -8.105 -8.105 14 2H5* A 2 2H5' A 2 -0.762 -9.282 -9.282 15 H4* A 2 H4' A 2 1.097 -7.803 -7.803 16 H3* A 2 H3' A 2 -0.111 -8.192 -8.192 17 1H2* A 2 1H2' A 2 0.462 -5.675 -5.675 18 2H2* A 2 2H2' A 2 -1.060 -6.007 -6.007 19 H1* A 2 H1' A 2 1.569 -5.160 -5.160 20 H8 A 2 H8 A 2 -2.245 -4.303 -4.303 21 1H6 A 2 1H6 A 2 -0.495 1.587 1.587 22 2H6 A 2 2H6 A 2 -1.854 0.503 0.503 23 H2 A 2 H2 A 2 3.191 -0.951 -0.951 24 1H5* C 3 1H5' C 3 4.425 -6.495 -6.495 25 2H5* C 3 2H5' C 3 5.349 -7.234 -7.234 26 H4* C 3 H4' C 3 6.272 -5.044 -5.044 27 H3* C 3 H3' C 3 5.481 -5.749 -5.749 28 1H2* C 3 1H2' C 3 5.427 -3.031 -3.031 29 2H2* C 3 2H2' C 3 3.997 -4.076 -4.076 30 H1* C 3 H1' C 3 5.362 -2.313 -2.313 31 1H4 C 3 1H4 C 3 -1.298 -1.227 -1.227 32 2H4 C 3 2H4 C 3 -0.558 0.346 0.346 33 H5 C 3 H5 C 3 0.009 -3.314 -3.314 34 H6 C 3 H6 C 3 2.263 -4.226 -4.226 35 1H5* T 4 1H5' T 4 8.527 -2.086 -2.086 36 2H5* T 4 2H5' T 4 9.656 -2.121 -2.121 37 H4* T 4 H4' T 4 8.755 0.142 0.142 38 H3* T 4 H3' T 4 8.292 -1.204 -1.204 39 1H2* T 4 1H2' T 4 7.043 1.365 1.365 40 2H2* T 4 2H2' T 4 6.204 -0.202 -0.202 41 H1* T 4 H1' T 4 6.589 1.611 1.611 42 H3 T 4 H3 T 4 2.005 2.053 2.053 43 1H5M T 4 1H5M T 4 3.185 -3.000 -3.000 44 2H5M T 4 2H5M T 4 1.574 -2.258 -2.258 45 3H5M T 4 3H5M T 4 2.059 -2.824 -2.824 46 H6 T 4 H6 T 4 4.953 -1.689 -1.689 47 1H5* G 5 1H5' G 5 9.537 3.228 3.228 48 2H5* G 5 2H5' G 5 10.700 3.458 3.458 49 H4* G 5 H4' G 5 9.142 5.340 5.340 50 H3* G 5 H3' G 5 9.709 3.954 3.954 51 1H2* G 5 1H2' G 5 7.165 4.510 4.510 52 2H2* G 5 2H2' G 5 7.663 2.967 2.967 53 H1* G 5 H1' G 5 6.215 5.282 5.282 54 H8 G 5 H8 G 5 6.477 1.329 1.329 55 H1 G 5 H1 G 5 0.759 3.573 3.573 56 1H2 G 5 1H2 G 5 0.856 5.803 5.803 57 2H2 G 5 2H2 G 5 2.326 6.704 6.704 58 1H5* A 6 1H5' A 6 6.825 8.547 8.547 59 2H5* A 6 2H5' A 6 6.327 6.894 6.894 60 H4* A 6 H4' A 6 5.313 8.351 8.351 61 H3* A 6 H3' A 6 4.490 8.723 8.723 62 1H2* A 6 1H2' A 6 2.115 7.465 7.465 63 2H2* A 6 2H2' A 6 3.550 6.592 6.592 64 H1* A 6 H1' A 6 2.666 6.786 6.786 65 H8 A 6 H8 A 6 4.879 4.182 4.182 66 1H6 A 6 1H6 A 6 -0.087 0.479 0.479 67 2H6 A 6 2H6 A 6 1.611 0.496 0.496 68 H2 A 6 H2 A 6 -1.219 4.763 4.763 69 1H5* G 7 1H5' G 7 0.106 9.800 9.800 70 2H5* G 7 2H5' G 7 -0.110 11.134 11.134 71 H4* G 7 H4' G 7 -1.729 9.466 9.466 72 H3* G 7 H3' G 7 0.508 9.755 9.755 73 1H2* G 7 1H2' G 7 -0.984 7.603 7.603 74 2H2* G 7 2H2' G 7 0.568 7.533 7.533 75 H1* G 7 H1' G 7 -2.152 7.192 7.192 76 H8 G 7 H8 G 7 1.578 5.793 5.793 77 H1 G 7 H1 G 7 -2.896 1.319 1.319 78 1H2 G 7 1H2 G 7 -4.900 2.226 2.226 79 2H2 G 7 2H2 G 7 -5.170 3.954 3.954 80 1H5* A 8 1H5' A 8 -4.602 8.869 8.869 81 2H5* A 8 2H5' A 8 -3.238 7.762 7.762 82 H4* A 8 H4' A 8 -5.174 7.468 7.468 83 H3* A 8 H3' A 8 -5.629 6.870 6.870 84 1H2* A 8 1H2' A 8 -5.504 4.170 4.170 85 2H2* A 8 2H2' A 8 -4.073 5.105 5.105 86 H1* A 8 H1' A 8 -4.798 4.410 4.410 87 H8 A 8 H8 A 8 -1.389 5.394 5.394 88 1H6 A 8 1H6 A 8 0.117 -0.626 -0.626 89 2H6 A 8 2H6 A 8 0.700 0.993 0.993 90 H2 A 8 H2 A 8 -4.236 -0.290 -0.290 91 1H5* G 9 1H5' G 9 -8.027 3.378 3.378 92 2H5* G 9 2H5' G 9 -9.548 3.334 3.334 93 H4* G 9 H4' G 9 -8.507 1.158 1.158 94 H3* G 9 H3' G 9 -8.867 2.695 2.695 95 1H2* G 9 1H2' G 9 -7.192 0.688 0.688 96 2H2* G 9 2H2' G 9 -6.678 2.312 2.312 97 H1* G 9 H1' G 9 -6.664 -0.108 -0.108 98 H8 G 9 H8 G 9 -4.375 3.006 3.006 99 H1 G 9 H1 G 9 -1.451 -2.705 -2.705 100 1H2 G 9 1H2 G 9 -2.943 -4.337 -4.337 101 2H2 G 9 2H2 G 9 -4.645 -4.008 -4.008 102 1H5* A 10 1H5' A 10 -8.592 -1.817 -1.817 103 2H5* A 10 2H5' A 10 -9.779 -2.643 -2.643 104 H4* A 10 H4' A 10 -7.676 -3.832 -3.832 105 H3* A 10 H3' A 10 -8.945 -2.766 -2.766 106 1H2* A 10 1H2' A 10 -6.510 -2.677 -2.677 107 2H2* A 10 2H2' A 10 -7.108 -1.250 -1.250 108 H1* A 10 H1' A 10 -5.357 -3.459 -3.459 109 H8 A 10 H8 A 10 -5.444 0.370 0.370 110 1H6 A 10 1H6 A 10 0.740 -0.440 -0.440 111 2H6 A 10 2H6 A 10 -0.535 0.755 0.755 112 H2 A 10 H2 A 10 -1.337 -4.432 -4.432 113 1H5* C 11 1H5' C 11 -6.423 -6.886 -6.886 114 2H5* C 11 2H5' C 11 -7.124 -7.952 -7.952 115 H4* C 11 H4' C 11 -4.655 -8.327 -8.327 116 H3* C 11 H3' C 11 -5.949 -7.737 -7.737 117 1H2* C 11 1H2' C 11 -3.426 -7.090 -7.090 118 2H2* C 11 2H2' C 11 -4.740 -5.922 -5.922 119 H1* C 11 H1' C 11 -2.465 -6.936 -6.936 120 1H4 C 11 1H4 C 11 -2.523 -0.211 -0.211 121 2H4 C 11 2H4 C 11 -0.851 -0.714 -0.714 122 H5 C 11 H5 C 11 -4.375 -1.815 -1.815 123 H6 C 11 H6 C 11 -4.901 -4.159 -4.159 124 1H5* G 12 1H5' G 12 -1.753 -10.058 -10.058 125 2H5* G 12 2H5' G 12 -1.984 -11.319 -11.319 126 H4* G 12 H4' G 12 0.232 -10.260 -10.260 127 H3* G 12 H3' G 12 -1.536 -10.604 -10.604 128 1H2* G 12 1H2' G 12 -0.284 -8.391 -8.391 129 2H2* G 12 2H2' G 12 -1.872 -8.304 -8.304 130 H1* G 12 H1' G 12 0.904 -7.794 -7.794 131 H8 G 12 H8 G 12 -2.793 -6.522 -6.522 132 H1 G 12 H1 G 12 1.651 -1.942 -1.942 133 1H2 G 12 1H2 G 12 3.698 -2.864 -2.864 134 2H2 G 12 2H2 G 12 3.936 -4.589 -4.589 135 1H5* T 13 1H5' T 13 2.924 -9.394 -9.394 136 2H5* T 13 2H5' T 13 3.826 -10.265 -10.265 137 H4* T 13 H4' T 13 4.799 -8.060 -8.060 138 H3* T 13 H3' T 13 3.810 -8.961 -8.961 139 1H2* T 13 1H2' T 13 3.921 -6.221 -6.221 140 2H2* T 13 2H2' T 13 2.394 -7.124 -7.124 141 H1* T 13 H1' T 13 4.235 -5.557 -5.557 142 H3 T 13 H3 T 13 1.436 -1.900 -1.900 143 1H5M T 13 1H5M T 13 -1.664 -6.310 -6.310 144 2H5M T 13 2H5M T 13 -1.856 -5.285 -5.285 145 3H5M T 13 3H5M T 13 -2.355 -4.687 -4.687 146 H6 T 13 H6 T 13 0.708 -6.609 -6.609 147 1H5* A 14 1H5' A3' 14 7.012 -5.458 -5.458 148 2H5* A 14 2H5' A3' 14 8.192 -5.898 -5.898 149 H4* A 14 H4' A3' 14 7.582 -3.541 -3.541 150 H3* A 14 H3' A3' 14 7.517 -5.343 -5.343 151 1H2* A 14 1H2' A3' 14 5.299 -4.242 -4.242 152 2H2* A 14 2H2' A3' 14 5.148 -5.598 -5.598 153 H1* A 14 H1' A3' 14 5.051 -2.617 -2.617 154 H8 A 14 H8 A3' 14 2.957 -5.685 -5.685 155 1H6 A 14 1H6 A3' 14 -1.299 -3.687 -3.687 156 2H6 A 14 2H6 A3' 14 -1.686 -2.125 -2.125 157 H2 A 14 H2 A3' 14 2.148 0.153 0.153 158 1H5* T 1 1H5' T5' 15 -1.954 7.432 7.432 159 2H5* T 1 2H5' T5' 15 -1.712 8.428 8.428 160 H4* T 1 H4' T5' 15 -0.207 6.428 6.428 161 H3* T 1 H3' T5' 15 -2.102 6.961 6.961 162 1H2* T 1 1H2' T5' 15 -1.262 4.380 4.380 163 2H2* T 1 2H2' T5' 15 -2.861 4.785 4.785 164 H1* T 1 H1' T5' 15 -0.257 4.124 4.124 165 H3 T 1 H3 T5' 15 -0.883 -0.293 -0.293 166 1H5M T 1 1H5M T5' 15 -5.704 1.916 1.916 167 2H5M T 1 2H5M T5' 15 -5.397 0.184 0.184 168 3H5M T 1 3H5M T5' 15 -5.665 0.848 0.848 169 H6 T 1 H6 T5' 15 -3.856 3.355 3.355 170 H5T T 1 H5' T5' 15 -3.920 8.062 8.062 171 1H5* A 2 1H5' A 16 2.449 7.323 7.323 172 2H5* A 2 2H5' A 16 3.328 8.635 8.635 173 H4* A 2 H4' A 16 4.868 6.872 6.872 174 H3* A 2 H3' A 16 4.741 7.761 7.761 175 1H2* A 2 1H2' A 16 4.781 5.255 5.255 176 2H2* A 2 2H2' A 16 3.244 6.079 6.079 177 H1* A 2 H1' A 16 4.743 3.994 3.994 178 H8 A 2 H8 A 16 1.203 5.105 5.105 179 1H6 A 2 1H6 A 16 -0.383 -0.781 -0.781 180 2H6 A 2 2H6 A 16 -0.914 0.757 0.757 181 H2 A 2 H2 A 16 3.844 -0.172 -0.172 182 1H5* C 3 1H5' C 17 7.656 4.028 4.028 183 2H5* C 3 2H5' C 17 9.114 4.176 4.176 184 H4* C 3 H4' C 17 8.466 1.842 1.842 185 H3* C 3 H3' C 17 8.492 3.119 3.119 186 1H2* C 3 1H2' C 17 7.428 0.780 0.780 187 2H2* C 3 2H2' C 17 6.588 2.396 2.396 188 H1* C 3 H1' C 17 6.830 0.133 0.133 189 1H4 C 3 1H4 C 17 0.435 1.202 1.202 190 2H4 C 3 2H4 C 17 0.547 -0.499 -0.499 191 H5 C 3 H5 C 17 2.347 2.751 2.751 192 H6 C 3 H6 C 17 4.672 2.926 2.926 193 1H5* G 4 1H5' G 18 9.636 -1.437 -1.437 194 2H5* G 4 2H5' G 18 10.869 -1.815 -1.815 195 H4* G 4 H4' G 18 9.077 -3.496 -3.496 196 H3* G 4 H3' G 18 9.593 -1.942 -1.942 197 1H2* G 4 1H2' G 18 7.382 -3.330 -3.330 198 2H2* G 4 2H2' G 18 7.537 -1.606 -1.606 199 H1* G 4 H1' G 18 6.680 -3.904 -3.904 200 H8 G 4 H8 G 18 6.075 -0.138 -0.138 201 H1 G 4 H1 G 18 0.720 -3.662 -3.662 202 1H2 G 4 1H2 G 18 1.246 -5.810 -5.810 203 2H2 G 4 2H2 G 18 2.902 -6.348 -6.348 204 1H5* T 5 1H5' T 19 7.916 -6.084 -6.084 205 2H5* T 5 2H5' T 19 8.587 -7.282 -7.282 206 H4* T 5 H4' T 19 6.164 -7.574 -7.574 207 H3* T 5 H3' T 19 7.392 -7.099 -7.099 208 1H2* T 5 1H2' T 19 4.740 -6.705 -6.705 209 2H2* T 5 2H2' T 19 5.947 -5.433 -5.433 210 H1* T 5 H1' T 19 3.916 -6.517 -6.517 211 H3 T 5 H3 T 19 1.191 -2.805 -2.805 212 1H5M T 5 1H5M T 19 6.346 -1.186 -1.186 213 2H5M T 5 2H5M T 19 5.522 -0.880 -0.880 214 3H5M T 5 3H5M T 19 5.013 -0.030 -0.030 215 H6 T 5 H6 T 19 5.927 -3.532 -3.532 216 1H5* C 6 1H5' C 20 3.498 -10.281 -10.281 217 2H5* C 6 2H5' C 20 3.658 -8.528 -8.528 218 H4* C 6 H4' C 20 1.618 -9.855 -9.855 219 H3* C 6 H3' C 20 1.522 -9.667 -9.667 220 1H2* C 6 1H2' C 20 -0.314 -7.673 -7.673 221 2H2* C 6 2H2' C 20 1.448 -7.410 -7.410 222 H1* C 6 H1' C 20 -0.265 -7.263 -7.263 223 1H4 C 6 1H4 C 20 2.971 -1.492 -1.492 224 2H4 C 6 2H4 C 20 1.280 -1.069 -1.069 225 H5 C 6 H5 C 20 3.774 -3.839 -3.839 226 H6 C 6 H6 C 20 3.122 -6.108 -6.108 227 1H5* T 7 1H5' T 21 -3.278 -9.948 -9.948 228 2H5* T 7 2H5' T 21 -2.071 -8.674 -8.674 229 H4* T 7 H4' T 21 -4.640 -8.403 -8.403 230 H3* T 7 H3' T 21 -4.398 -8.430 -8.430 231 1H2* T 7 1H2' T 21 -4.445 -5.892 -5.892 232 2H2* T 7 2H2' T 21 -2.976 -6.864 -6.864 233 H1* T 7 H1' T 21 -4.559 -5.200 -5.200 234 H3 T 7 H3 T 21 -1.596 -1.729 -1.729 235 1H5M T 7 1H5M T 21 1.195 -6.392 -6.392 236 2H5M T 7 2H5M T 21 1.848 -4.892 -4.892 237 3H5M T 7 3H5M T 21 1.820 -5.119 -5.119 238 H6 T 7 H6 T 21 -1.160 -6.494 -6.494 239 1H5* C 8 1H5' C 22 -8.519 -5.778 -5.778 240 2H5* C 8 2H5' C 22 -6.793 -5.560 -5.560 241 H4* C 8 H4' C 22 -8.558 -3.632 -3.632 242 H3* C 8 H3' C 22 -8.354 -4.020 -4.020 243 1H2* C 8 1H2' C 22 -6.742 -1.921 -1.921 244 2H2* C 8 2H2' C 22 -6.050 -3.536 -3.536 245 H1* C 8 H1' C 22 -6.636 -1.332 -1.332 246 1H4 C 8 1H4 C 22 -0.008 -2.444 -2.444 247 2H4 C 8 2H4 C 22 -0.205 -0.710 -0.710 248 H5 C 8 H5 C 22 -1.897 -3.983 -3.983 249 H6 C 8 H6 C 22 -4.290 -4.196 -4.196 250 1H5* T 9 1H5' T 23 -8.851 0.656 0.656 251 2H5* T 9 2H5' T 23 -10.099 1.267 1.267 252 H4* T 9 H4' T 23 -8.326 2.926 2.926 253 H3* T 9 H3' T 23 -9.146 1.950 1.950 254 1H2* T 9 1H2' T 23 -6.692 2.884 2.884 255 2H2* T 9 2H2' T 23 -6.974 1.185 1.185 256 H1* T 9 H1' T 23 -5.874 3.256 3.256 257 H3 T 9 H3 T 23 -1.597 1.737 1.737 258 1H5M T 9 1H5M T 23 -4.966 -2.546 -2.546 259 2H5M T 9 2H5M T 23 -3.574 -2.507 -2.507 260 3H5M T 9 3H5M T 23 -3.333 -2.749 -2.749 261 H6 T 9 H6 T 23 -5.872 -0.402 -0.402 262 1H5* C 10 1H5' C 24 -7.108 6.315 6.315 263 2H5* C 10 2H5' C 24 -7.962 7.398 7.398 264 H4* C 10 H4' C 24 -5.634 8.094 8.094 265 H3* C 10 H3' C 24 -6.790 7.316 7.316 266 1H2* C 10 1H2' C 24 -4.152 7.371 7.371 267 2H2* C 10 2H2' C 24 -5.181 5.898 5.898 268 H1* C 10 H1' C 24 -3.218 7.249 7.249 269 1H4 C 10 1H4 C 24 -1.884 0.702 0.702 270 2H4 C 10 2H4 C 24 -0.337 1.517 1.517 271 H5 C 10 H5 C 24 -4.047 1.897 1.897 272 H6 C 10 H6 C 24 -5.037 4.071 4.071 273 1H5* A 11 1H5' A 25 -3.280 10.388 10.388 274 2H5* A 11 2H5' A 25 -3.608 11.615 11.615 275 H4* A 11 H4' A 25 -1.301 10.665 10.665 276 H3* A 11 H3' A 25 -3.181 10.721 10.721 277 1H2* A 11 1H2' A 25 -1.201 8.938 8.938 278 2H2* A 11 2H2' A 25 -2.882 8.520 8.520 279 H1* A 11 H1' A 25 -0.272 8.510 8.510 280 H8 A 11 H8 A 25 -3.596 6.480 6.480 281 1H6 A 11 1H6 A 25 -0.136 1.432 1.432 282 2H6 A 11 2H6 A 25 -1.729 2.039 2.039 283 H2 A 11 H2 A 25 2.487 5.017 5.017 284 1H5* G 12 1H5' G 26 1.451 10.894 10.894 285 2H5* G 12 2H5' G 26 2.102 11.814 11.814 286 H4* G 12 H4' G 26 3.479 9.857 9.857 287 H3* G 12 H3' G 26 2.340 10.220 10.220 288 1H2* G 12 1H2' G 26 3.167 7.635 7.635 289 2H2* G 12 2H2' G 26 1.496 8.165 8.165 290 H1* G 12 H1' G 26 3.582 7.263 7.263 291 H8 G 12 H8 G 26 -0.147 7.108 7.108 292 H1 G 12 H1 G 26 2.579 1.377 1.377 293 1H2 G 12 1H2 G 26 4.780 1.641 1.641 294 2H2 G 12 2H2 G 26 5.543 3.215 3.215 295 1H5* T 13 1H5' T 27 7.213 8.061 8.061 296 2H5* T 13 2H5' T 27 5.664 7.312 7.312 297 H4* T 13 H4' T 27 7.731 6.305 6.305 298 H3* T 13 H3' T 27 7.762 5.966 5.966 299 1H2* T 13 1H2' T 27 6.389 3.639 3.639 300 2H2* T 13 2H2' T 27 5.490 5.179 5.179 301 H1* T 13 H1' T 27 6.158 3.372 3.372 302 H3 T 13 H3 T 27 1.842 1.734 1.734 303 1H5M T 13 1H5M T 27 0.338 6.243 6.243 304 2H5M T 13 2H5M T 27 1.705 6.929 6.929 305 3H5M T 13 3H5M T 27 0.626 5.774 5.774 306 H6 T 13 H6 T 27 3.771 5.939 5.939 307 1H5* C 14 1H5' C3' 28 8.188 1.563 1.563 308 2H5* C 14 2H5' C3' 28 9.429 0.738 0.738 309 H4* C 14 H4' C3' 28 7.468 -0.671 -0.671 310 H3* C 14 H3' C3' 28 8.350 0.280 0.280 311 1H2* C 14 1H2' C3' 28 5.904 -0.797 -0.797 312 2H2* C 14 2H2' C3' 28 6.203 0.954 0.954 313 H1* C 14 H1' C3' 28 5.236 -1.018 -1.018 314 1H4 C 14 1H4 C3' 28 0.203 3.272 3.272 315 2H4 C 14 2H4 C3' 28 -0.515 1.712 1.712 316 H5 C 14 H5 C3' 28 2.662 3.633 3.633 317 H6 C 14 H6 C3' 28 4.790 2.564 2.564 318 1H5* C 1 1H5' C5' 29 6.528 -8.675 -8.675 319 2H5* C 1 2H5' C5' 29 4.900 -8.015 -8.015 320 H4* C 1 H4' C5' 29 7.350 -7.362 -7.362 321 H3* C 1 H3' C5' 29 6.028 -5.819 -5.819 322 1H2* C 1 1H2' C5' 29 7.834 -4.622 -4.622 323 2H2* C 1 2H2' C5' 29 6.478 -3.941 -3.941 324 H1* C 1 H1' C5' 29 6.241 -5.000 -5.000 325 H3 C 1 H3 C5' 29 4.103 -0.890 -0.890 326 1H4 C 1 1H4 C5' 29 0.796 -1.757 -1.757 327 2H4 C 1 2H4 C5' 29 1.889 -0.466 -0.466 328 H5 C 1 H5 C5' 29 1.513 -4.073 -4.073 329 H6 C 1 H6 C5' 29 3.398 -5.655 -5.655 330 H5T C 1 H5' C5' 29 4.977 -8.968 -8.968 331 1H5* T 2 1H5' T 30 9.730 -3.714 -3.714 332 2H5* T 2 2H5' T 30 10.691 -3.897 -3.897 333 H4* T 2 H4' T 30 10.614 -1.554 -1.554 334 H3* T 2 H3' T 30 10.074 -2.454 -2.454 335 1H2* T 2 1H2' T 30 8.203 -0.456 -0.456 336 2H2* T 2 2H2' T 30 7.750 -2.100 -2.100 337 H1* T 2 H1' T 30 8.221 0.359 0.359 338 H3 T 2 H3 T 30 3.685 0.889 0.889 339 1H5M T 2 1H5M T 30 2.974 -3.754 -3.754 340 2H5M T 2 2H5M T 30 4.559 -4.222 -4.222 341 3H5M T 2 3H5M T 30 4.309 -4.171 -4.171 342 H6 T 2 H6 T 30 6.448 -2.961 -2.961 343 1H5* C 3 1H5' C 31 10.371 2.496 2.496 344 2H5* C 3 2H5' C 31 11.057 2.987 2.987 345 H4* C 3 H4' C 31 9.294 4.512 4.512 346 H3* C 3 H3' C 31 8.330 2.497 2.497 347 1H2* C 3 1H2' C 31 7.025 5.148 5.148 348 2H2* C 3 2H2' C 31 6.375 3.577 3.577 349 H1* C 3 H1' C 31 6.588 4.764 4.764 350 H3 C 3 H3 C 31 2.302 2.919 2.919 351 1H4 C 3 1H4 C 31 2.419 -0.529 -0.529 352 2H4 C 3 2H4 C 31 1.398 0.815 0.815 353 H5 C 3 H5 C 31 4.835 -0.323 -0.323 354 H6 C 3 H6 C 31 6.698 1.237 1.237 355 1H5* T 4 1H5' T 32 8.136 6.872 6.872 356 2H5* T 4 2H5' T 32 8.512 7.415 7.415 357 H4* T 4 H4' T 32 6.440 8.433 8.433 358 H3* T 4 H3' T 32 6.763 7.452 7.452 359 1H2* T 4 1H2' T 32 4.068 6.820 6.820 360 2H2* T 4 2H2' T 32 5.351 5.643 5.643 361 H1* T 4 H1' T 32 3.610 7.137 7.137 362 H3 T 4 H3 T 32 1.232 3.313 3.313 363 1H5M T 4 1H5M T 32 5.397 1.268 1.268 364 2H5M T 4 2H5M T 32 5.125 0.658 0.658 365 3H5M T 4 3H5M T 32 6.359 1.874 1.874 366 H6 T 4 H6 T 32 5.715 4.105 4.105 367 1H5* C 5 1H5' C 33 2.987 9.973 9.973 368 2H5* C 5 2H5' C 33 2.551 11.098 11.098 369 H4* C 5 H4' C 33 0.557 10.157 10.157 370 H3* C 5 H3' C 33 1.087 9.763 9.763 371 1H2* C 5 1H2' C 33 -1.234 8.247 8.247 372 2H2* C 5 2H2' C 33 0.335 7.555 7.555 373 H1* C 5 H1' C 33 -0.949 7.989 7.989 374 H3 C 5 H3 C 33 -1.522 3.338 3.338 375 1H4 C 5 1H4 C 33 1.306 1.700 1.700 376 2H4 C 5 2H4 C 33 -0.258 1.510 1.510 377 H5 C 5 H5 C 33 2.276 3.878 3.878 378 H6 C 5 H6 C 33 1.922 6.282 6.282 379 1H5* T 6 1H5' T3' 34 -3.082 9.889 9.889 380 2H5* T 6 2H5' T3' 34 -4.274 10.803 10.803 381 H4* T 6 H4' T3' 34 -5.221 8.664 8.664 382 H3* T 6 H3' T3' 34 -5.177 9.454 9.454 383 1H2* T 6 1H2' T3' 34 -5.301 6.810 6.810 384 2H2* T 6 2H2' T3' 34 -3.754 7.702 7.702 385 H1* T 6 H1' T3' 34 -5.112 6.128 6.128 386 H3 T 6 H3 T3' 34 -2.661 2.275 2.275 387 1H5M T 6 1H5M T3' 34 0.294 6.280 6.280 388 2H5M T 6 2H5M T3' 34 0.249 4.690 4.690 389 3H5M T 6 3H5M T3' 34 1.083 4.883 4.883 390 H6 T 6 H6 T3' 34 -1.809 6.815 6.815 Start of MODEL 9 1 1H5* G 1 1H5' G5' 1 -6.027 -7.361 -7.361 2 2H5* G 1 2H5' G5' 1 -6.536 -8.354 -8.354 3 H4* G 1 H4' G5' 1 -4.106 -8.479 -8.479 4 H3* G 1 H3' G5' 1 -5.292 -7.994 -7.994 5 1H2* G 1 1H2' G5' 1 -3.336 -6.261 -6.261 6 2H2* G 1 2H2' G5' 1 -4.771 -5.654 -5.654 7 H1* G 1 H1' G5' 1 -2.098 -6.453 -6.453 8 H8 G 1 H8 G5' 1 -4.941 -3.782 -3.782 9 H1 G 1 H1 G5' 1 1.015 -1.394 -1.394 10 1H2 G 1 1H2 G5' 1 2.027 -4.736 -4.736 11 2H2 G 1 2H2 G5' 1 2.508 -3.060 -3.060 12 H5T G 1 H5' G5' 1 -6.608 -6.448 -6.448 13 1H5* A 2 1H5' A 2 -0.551 -8.327 -8.327 14 2H5* A 2 2H5' A 2 -0.041 -9.485 -9.485 15 H4* A 2 H4' A 2 1.704 -7.858 -7.858 16 H3* A 2 H3' A 2 0.553 -8.401 -8.401 17 1H2* A 2 1H2' A 2 0.927 -5.856 -5.856 18 2H2* A 2 2H2' A 2 -0.574 -6.301 -6.301 19 H1* A 2 H1' A 2 1.957 -5.199 -5.199 20 H8 A 2 H8 A 2 -1.920 -4.679 -4.679 21 1H6 A 2 1H6 A 2 -0.695 1.342 1.342 22 2H6 A 2 2H6 A 2 -1.952 0.145 0.145 23 H2 A 2 H2 A 2 3.193 -0.869 -0.869 24 1H5* C 3 1H5' C 3 4.881 -6.300 -6.300 25 2H5* C 3 2H5' C 3 5.907 -6.954 -6.954 26 H4* C 3 H4' C 3 6.590 -4.678 -4.678 27 H3* C 3 H3' C 3 5.926 -5.469 -5.469 28 1H2* C 3 1H2' C 3 5.689 -2.759 -2.759 29 2H2* C 3 2H2' C 3 4.336 -3.914 -3.914 30 H1* C 3 H1' C 3 5.484 -2.060 -2.060 31 1H4 C 3 1H4 C 3 -1.216 -1.514 -1.514 32 2H4 C 3 2H4 C 3 -0.610 0.113 0.113 33 H5 C 3 H5 C 3 0.258 -3.495 -3.495 34 H6 C 3 H6 C 3 2.573 -4.221 -4.221 35 1H5* T 4 1H5' T 4 8.691 -1.602 -1.602 36 2H5* T 4 2H5' T 4 9.863 -1.563 -1.563 37 H4* T 4 H4' T 4 8.790 0.632 0.632 38 H3* T 4 H3' T 4 8.510 -0.757 -0.757 39 1H2* T 4 1H2' T 4 7.089 1.713 1.713 40 2H2* T 4 2H2' T 4 6.367 0.088 0.088 41 H1* T 4 H1' T 4 6.553 1.941 1.941 42 H3 T 4 H3 T 4 1.960 2.083 2.083 43 1H5M T 4 1H5M T 4 2.331 -2.783 -2.783 44 2H5M T 4 2H5M T 4 3.523 -2.901 -2.901 45 3H5M T 4 3H5M T 4 1.881 -2.270 -2.270 46 H6 T 4 H6 T 4 5.175 -1.467 -1.467 47 1H5* G 5 1H5' G 5 9.458 3.799 3.799 48 2H5* G 5 2H5' G 5 10.642 4.057 4.057 49 H4* G 5 H4' G 5 8.964 5.839 5.839 50 H3* G 5 H3' G 5 9.686 4.407 4.407 51 1H2* G 5 1H2' G 5 7.142 4.777 4.777 52 2H2* G 5 2H2' G 5 7.716 3.294 3.294 53 H1* G 5 H1' G 5 6.091 5.558 5.558 54 H8 G 5 H8 G 5 6.606 1.623 1.623 55 H1 G 5 H1 G 5 0.701 3.552 3.552 56 1H2 G 5 1H2 G 5 0.649 5.787 5.787 57 2H2 G 5 2H2 G 5 2.065 6.774 6.774 58 1H5* A 6 1H5' A 6 6.601 8.802 8.802 59 2H5* A 6 2H5' A 6 6.183 7.132 7.132 60 H4* A 6 H4' A 6 5.044 8.551 8.551 61 H3* A 6 H3' A 6 4.285 8.891 8.891 62 1H2* A 6 1H2' A 6 1.982 7.476 7.476 63 2H2* A 6 2H2' A 6 3.503 6.704 6.704 64 H1* A 6 H1' A 6 2.474 6.857 6.857 65 H8 A 6 H8 A 6 4.864 4.362 4.362 66 1H6 A 6 1H6 A 6 0.140 0.366 0.366 67 2H6 A 6 2H6 A 6 1.834 0.482 0.482 68 H2 A 6 H2 A 6 -1.265 4.581 4.581 69 1H5* G 7 1H5' G 7 -0.220 9.685 9.685 70 2H5* G 7 2H5' G 7 -0.566 10.970 10.970 71 H4* G 7 H4' G 7 -2.085 9.149 9.149 72 H3* G 7 H3' G 7 -0.116 9.850 9.850 73 1H2* G 7 1H2' G 7 -0.892 7.424 7.424 74 2H2* G 7 2H2' G 7 0.615 7.578 7.578 75 H1* G 7 H1' G 7 -2.136 6.876 6.876 76 H8 G 7 H8 G 7 1.631 5.731 5.731 77 H1 G 7 H1 G 7 -2.610 1.045 1.045 78 1H2 G 7 1H2 G 7 -4.655 1.881 1.881 79 2H2 G 7 2H2 G 7 -4.982 3.600 3.600 80 1H5* A 8 1H5' A 8 -4.789 8.452 8.452 81 2H5* A 8 2H5' A 8 -3.156 7.835 7.835 82 H4* A 8 H4' A 8 -4.872 7.939 7.939 83 H3* A 8 H3' A 8 -6.149 6.842 6.842 84 1H2* A 8 1H2' A 8 -5.423 4.286 4.286 85 2H2* A 8 2H2' A 8 -4.152 5.341 5.341 86 H1* A 8 H1' A 8 -4.442 4.830 4.830 87 H8 A 8 H8 A 8 -1.269 5.616 5.616 88 1H6 A 8 1H6 A 8 0.191 -0.404 -0.404 89 2H6 A 8 2H6 A 8 0.791 1.212 1.212 90 H2 A 8 H2 A 8 -4.110 0.001 0.001 91 1H5* G 9 1H5' G 9 -9.307 4.353 4.353 92 2H5* G 9 2H5' G 9 -7.583 4.578 4.578 93 H4* G 9 H4' G 9 -8.785 2.017 2.017 94 H3* G 9 H3' G 9 -8.924 2.979 2.979 95 1H2* G 9 1H2' G 9 -7.269 0.863 0.863 96 2H2* G 9 2H2' G 9 -6.697 2.496 2.496 97 H1* G 9 H1' G 9 -6.825 0.229 0.229 98 H8 G 9 H8 G 9 -4.488 3.292 3.292 99 H1 G 9 H1 G 9 -1.614 -2.457 -2.457 100 1H2 G 9 1H2 G 9 -3.139 -4.065 -4.065 101 2H2 G 9 2H2 G 9 -4.838 -3.703 -3.703 102 1H5* A 10 1H5' A 10 -8.709 -1.557 -1.557 103 2H5* A 10 2H5' A 10 -9.930 -2.396 -2.396 104 H4* A 10 H4' A 10 -7.868 -3.632 -3.632 105 H3* A 10 H3' A 10 -9.135 -2.544 -2.544 106 1H2* A 10 1H2' A 10 -6.712 -2.533 -2.533 107 2H2* A 10 2H2' A 10 -7.268 -1.084 -1.084 108 H1* A 10 H1' A 10 -5.555 -3.323 -3.323 109 H8 A 10 H8 A 10 -5.554 0.503 0.503 110 1H6 A 10 1H6 A 10 0.622 -0.444 -0.444 111 2H6 A 10 2H6 A 10 -0.626 0.783 0.783 112 H2 A 10 H2 A 10 -1.549 -4.373 -4.373 113 1H5* C 11 1H5' C 11 -6.823 -6.780 -6.780 114 2H5* C 11 2H5' C 11 -7.556 -7.807 -7.807 115 H4* C 11 H4' C 11 -5.104 -8.273 -8.273 116 H3* C 11 H3' C 11 -6.351 -7.610 -7.610 117 1H2* C 11 1H2' C 11 -3.795 -7.068 -7.068 118 2H2* C 11 2H2' C 11 -5.069 -5.853 -5.853 119 H1* C 11 H1' C 11 -2.855 -6.956 -6.956 120 1H4 C 11 1H4 C 11 -2.617 -0.236 -0.236 121 2H4 C 11 2H4 C 11 -0.967 -0.811 -0.811 122 H5 C 11 H5 C 11 -4.543 -1.759 -1.759 123 H6 C 11 H6 C 11 -5.174 -4.081 -4.081 124 1H5* G 12 1H5' G 12 -2.261 -10.108 -10.108 125 2H5* G 12 2H5' G 12 -2.532 -11.349 -11.349 126 H4* G 12 H4' G 12 -0.272 -10.388 -10.388 127 H3* G 12 H3' G 12 -2.034 -10.628 -10.628 128 1H2* G 12 1H2' G 12 -0.666 -8.467 -8.467 129 2H2* G 12 2H2' G 12 -2.257 -8.312 -8.312 130 H1* G 12 H1' G 12 0.529 -7.941 -7.941 131 H8 G 12 H8 G 12 -3.104 -6.498 -6.498 132 H1 G 12 H1 G 12 1.543 -2.140 -2.140 133 1H2 G 12 1H2 G 12 3.546 -3.161 -3.161 134 2H2 G 12 2H2 G 12 3.701 -4.893 -4.893 135 1H5* T 13 1H5' T 13 2.479 -9.631 -9.631 136 2H5* T 13 2H5' T 13 3.346 -10.535 -10.535 137 H4* T 13 H4' T 13 4.420 -8.381 -8.381 138 H3* T 13 H3' T 13 3.395 -9.211 -9.211 139 1H2* T 13 1H2' T 13 3.650 -6.474 -6.474 140 2H2* T 13 2H2' T 13 2.078 -7.304 -7.304 141 H1* T 13 H1' T 13 3.984 -5.847 -5.847 142 H3 T 13 H3 T 13 1.370 -2.057 -2.057 143 1H5M T 13 1H5M T 13 -2.073 -5.258 -5.258 144 2H5M T 13 2H5M T 13 -2.555 -4.648 -4.648 145 3H5M T 13 3H5M T 13 -1.944 -6.303 -6.303 146 H6 T 13 H6 T 13 0.412 -6.716 -6.716 147 1H5* A 14 1H5' A3' 14 6.767 -5.875 -5.875 148 2H5* A 14 2H5' A3' 14 7.932 -6.364 -6.364 149 H4* A 14 H4' A3' 14 7.445 -3.978 -3.978 150 H3* A 14 H3' A3' 14 7.289 -5.768 -5.768 151 1H2* A 14 1H2' A3' 14 5.152 -4.518 -4.518 152 2H2* A 14 2H2' A3' 14 4.917 -5.879 -5.879 153 H1* A 14 H1' A3' 14 4.969 -2.906 -2.906 154 H8 A 14 H8 A3' 14 2.726 -5.864 -5.864 155 1H6 A 14 1H6 A3' 14 -1.739 -2.089 -2.089 156 2H6 A 14 2H6 A3' 14 -1.431 -3.663 -3.663 157 H2 A 14 H2 A3' 14 2.205 -0.014 -0.014 158 1H5* T 1 1H5' T5' 15 -1.497 7.489 7.489 159 2H5* T 1 2H5' T5' 15 -1.202 8.454 8.454 160 H4* T 1 H4' T5' 15 0.188 6.376 6.376 161 H3* T 1 H3' T5' 15 -1.691 6.981 6.981 162 1H2* T 1 1H2' T5' 15 -0.999 4.352 4.352 163 2H2* T 1 2H2' T5' 15 -2.568 4.852 4.852 164 H1* T 1 H1' T5' 15 0.009 4.067 4.067 165 H3 T 1 H3 T5' 15 -0.846 -0.297 -0.297 166 1H5M T 1 1H5M T5' 15 -5.560 1.094 1.094 167 2H5M T 1 2H5M T5' 15 -5.550 2.143 2.143 168 3H5M T 1 3H5M T5' 15 -5.334 0.394 0.394 169 H6 T 1 H6 T5' 15 -3.629 3.487 3.487 170 H5T T 1 H5' T5' 15 -3.353 6.647 6.647 171 1H5* A 2 1H5' A 16 2.890 7.124 7.124 172 2H5* A 2 2H5' A 16 3.828 8.373 8.373 173 H4* A 2 H4' A 16 5.276 6.537 6.537 174 H3* A 2 H3' A 16 5.174 7.391 7.391 175 1H2* A 2 1H2' A 16 5.069 4.870 4.870 176 2H2* A 2 2H2' A 16 3.581 5.781 5.781 177 H1* A 2 H1' A 16 4.977 3.642 3.642 178 H8 A 2 H8 A 16 1.493 4.925 4.925 179 1H6 A 2 1H6 A 16 -0.401 -0.849 -0.849 180 2H6 A 2 2H6 A 16 -0.855 0.706 0.706 181 H2 A 2 H2 A 16 3.865 -0.450 -0.450 182 1H5* C 3 1H5' C 17 7.907 3.525 3.525 183 2H5* C 3 2H5' C 17 9.355 3.573 3.573 184 H4* C 3 H4' C 17 8.566 1.283 1.283 185 H3* C 3 H3' C 17 8.657 2.509 2.509 186 1H2* C 3 1H2' C 17 7.429 0.245 0.245 187 2H2* C 3 2H2' C 17 6.701 1.916 1.916 188 H1* C 3 H1' C 17 6.819 -0.333 -0.333 189 1H4 C 3 1H4 C 17 0.472 1.057 1.057 190 2H4 C 3 2H4 C 17 0.494 -0.636 -0.636 191 H5 C 3 H5 C 17 2.475 2.499 2.499 192 H6 C 3 H6 C 17 4.813 2.555 2.555 193 1H5* G 4 1H5' G 18 9.519 -2.152 -2.152 194 2H5* G 4 2H5' G 18 10.714 -2.578 -2.578 195 H4* G 4 H4' G 18 8.847 -4.170 -4.170 196 H3* G 4 H3' G 18 9.431 -2.632 -2.632 197 1H2* G 4 1H2' G 18 7.121 -3.807 -3.807 198 2H2* G 4 2H2' G 18 7.394 -2.117 -2.117 199 H1* G 4 H1' G 18 6.411 -4.423 -4.423 200 H8 G 4 H8 G 18 5.985 -0.605 -0.605 201 H1 G 4 H1 G 18 0.470 -3.859 -3.859 202 1H2 G 4 1H2 G 18 0.897 -6.036 -6.036 203 2H2 G 4 2H2 G 18 2.528 -6.658 -6.658 204 1H5* T 5 1H5' T 19 7.455 -6.722 -6.722 205 2H5* T 5 2H5' T 19 8.021 -7.890 -7.890 206 H4* T 5 H4' T 19 5.577 -8.012 -8.012 207 H3* T 5 H3' T 19 6.815 -7.522 -7.522 208 1H2* T 5 1H2' T 19 4.236 -6.848 -6.848 209 2H2* T 5 2H2' T 19 5.549 -5.691 -5.691 210 H1* T 5 H1' T 19 3.434 -6.699 -6.699 211 H3 T 5 H3 T 19 1.005 -2.779 -2.779 212 1H5M T 5 1H5M T 19 5.311 -0.997 -0.997 213 2H5M T 5 2H5M T 19 5.044 -0.296 -0.296 214 3H5M T 5 3H5M T 19 6.271 -1.546 -1.546 215 H6 T 5 H6 T 19 5.660 -3.824 -3.824 216 1H5* C 6 1H5' C 20 2.558 -9.536 -9.536 217 2H5* C 6 2H5' C 20 2.290 -10.685 -10.685 218 H4* C 6 H4' C 20 0.348 -9.176 -9.176 219 H3* C 6 H3' C 20 1.885 -9.021 -9.021 220 1H2* C 6 1H2' C 20 -0.509 -7.381 -7.381 221 2H2* C 6 2H2' C 20 1.216 -6.958 -6.958 222 H1* C 6 H1' C 20 -0.491 -6.839 -6.839 223 1H4 C 6 1H4 C 20 2.971 -1.151 -1.151 224 2H4 C 6 2H4 C 20 1.293 -0.692 -0.692 225 H5 C 6 H5 C 20 3.715 -3.547 -3.547 226 H6 C 6 H6 C 20 2.950 -5.805 -5.805 227 1H5* T 7 1H5' T 21 -2.689 -9.101 -9.101 228 2H5* T 7 2H5' T 21 -3.423 -10.075 -10.075 229 H4* T 7 H4' T 21 -4.707 -8.018 -8.018 230 H3* T 7 H3' T 21 -3.669 -8.739 -8.739 231 1H2* T 7 1H2' T 21 -3.742 -6.256 -6.256 232 2H2* T 7 2H2' T 21 -2.378 -7.175 -7.175 233 H1* T 7 H1' T 21 -4.300 -5.363 -5.363 234 H3 T 7 H3 T 21 -1.616 -1.609 -1.609 235 1H5M T 7 1H5M T 21 2.042 -4.414 -4.414 236 2H5M T 7 2H5M T 21 2.130 -4.723 -4.723 237 3H5M T 7 3H5M T 21 1.560 -5.990 -5.990 238 H6 T 7 H6 T 21 -0.698 -6.309 -6.309 239 1H5* C 8 1H5' C 22 -7.140 -5.631 -5.631 240 2H5* C 8 2H5' C 22 -8.356 -5.905 -5.905 241 H4* C 8 H4' C 22 -7.973 -3.502 -3.502 242 H3* C 8 H3' C 22 -7.664 -4.778 -4.778 243 1H2* C 8 1H2' C 22 -6.353 -2.476 -2.476 244 2H2* C 8 2H2' C 22 -5.547 -4.011 -4.011 245 H1* C 8 H1' C 22 -6.194 -1.710 -1.710 246 1H4 C 8 1H4 C 22 0.478 -2.560 -2.560 247 2H4 C 8 2H4 C 22 0.206 -0.837 -0.837 248 H5 C 8 H5 C 22 -1.345 -4.187 -4.187 249 H6 C 8 H6 C 22 -3.727 -4.486 -4.486 250 1H5* T 9 1H5' T 23 -8.711 -0.225 -0.225 251 2H5* T 9 2H5' T 23 -9.969 0.249 0.249 252 H4* T 9 H4' T 23 -8.434 2.103 2.103 253 H3* T 9 H3' T 23 -9.071 1.181 1.181 254 1H2* T 9 1H2' T 23 -6.682 2.284 2.284 255 2H2* T 9 2H2' T 23 -6.834 0.570 0.570 256 H1* T 9 H1' T 23 -5.926 2.729 2.729 257 H3 T 9 H3 T 23 -1.524 1.546 1.546 258 1H5M T 9 1H5M T 23 -4.571 -2.976 -2.976 259 2H5M T 9 2H5M T 23 -3.232 -2.832 -2.832 260 3H5M T 9 3H5M T 23 -2.906 -3.065 -3.065 261 H6 T 9 H6 T 23 -5.627 -0.919 -0.919 262 1H5* C 10 1H5' C 24 -7.320 5.638 5.638 263 2H5* C 10 2H5' C 24 -8.246 6.697 6.697 264 H4* C 10 H4' C 24 -5.977 7.551 7.551 265 H3* C 10 H3' C 24 -7.081 6.796 6.796 266 1H2* C 10 1H2' C 24 -4.459 6.998 6.998 267 2H2* C 10 2H2' C 24 -5.397 5.464 5.464 268 H1* C 10 H1' C 24 -3.506 6.901 6.901 269 1H4 C 10 1H4 C 24 -1.734 0.481 0.481 270 2H4 C 10 2H4 C 24 -0.245 1.396 1.396 271 H5 C 10 H5 C 24 -3.968 1.520 1.520 272 H6 C 10 H6 C 24 -5.110 3.617 3.617 273 1H5* A 11 1H5' A 25 -3.714 10.060 10.060 274 2H5* A 11 2H5' A 25 -4.140 11.293 11.293 275 H4* A 11 H4' A 25 -1.786 10.500 10.500 276 H3* A 11 H3' A 25 -3.717 10.487 10.487 277 1H2* A 11 1H2' A 25 -1.704 8.810 8.810 278 2H2* A 11 2H2' A 25 -3.341 8.303 8.303 279 H1* A 11 H1' A 25 -0.674 8.412 8.412 280 H8 A 11 H8 A 25 -3.884 6.205 6.205 281 1H6 A 11 1H6 A 25 -0.150 1.351 1.351 282 2H6 A 11 2H6 A 25 -1.776 1.869 1.869 283 H2 A 11 H2 A 25 2.273 5.071 5.071 284 1H5* G 12 1H5' G 26 0.909 10.919 10.919 285 2H5* G 12 2H5' G 26 1.465 11.808 11.808 286 H4* G 12 H4' G 26 2.894 9.869 9.869 287 H3* G 12 H3' G 26 1.612 10.167 10.167 288 1H2* G 12 1H2' G 26 2.447 7.607 7.607 289 2H2* G 12 2H2' G 26 0.768 8.088 8.088 290 H1* G 12 H1' G 26 2.984 7.306 7.306 291 H8 G 12 H8 G 26 -0.757 6.929 6.929 292 H1 G 12 H1 G 26 2.395 1.399 1.399 293 1H2 G 12 1H2 G 26 4.585 1.826 1.826 294 2H2 G 12 2H2 G 26 5.224 3.454 3.454 295 1H5* T 13 1H5' T 27 5.671 7.819 7.819 296 2H5* T 13 2H5' T 27 6.838 8.332 8.332 297 H4* T 13 H4' T 27 7.174 5.999 5.999 298 H3* T 13 H3' T 27 7.126 6.862 6.862 299 1H2* T 13 1H2' T 27 5.996 4.521 4.521 300 2H2* T 13 2H2' T 27 5.038 5.953 5.953 301 H1* T 13 H1' T 27 5.759 3.615 3.615 302 H3 T 13 H3 T 27 1.589 1.674 1.674 303 1H5M T 13 1H5M T 27 -0.270 6.082 6.082 304 2H5M T 13 2H5M T 27 1.011 6.851 6.851 305 3H5M T 13 3H5M T 27 -0.011 5.618 5.618 306 H6 T 13 H6 T 27 3.116 6.048 6.048 307 1H5* C 14 1H5' C3' 28 8.181 2.345 2.345 308 2H5* C 14 2H5' C3' 28 9.467 1.766 1.766 309 H4* C 14 H4' C3' 28 7.756 0.043 0.043 310 H3* C 14 H3' C3' 28 8.468 1.011 1.011 311 1H2* C 14 1H2' C3' 28 6.150 -0.307 -0.307 312 2H2* C 14 2H2' C3' 28 6.257 1.465 1.465 313 H1* C 14 H1' C3' 28 5.489 -0.615 -0.615 314 1H4 C 14 1H4 C3' 28 0.116 3.237 3.237 315 2H4 C 14 2H4 C3' 28 -0.472 1.617 1.617 316 H5 C 14 H5 C3' 28 2.531 3.808 3.808 317 H6 C 14 H6 C3' 28 4.741 2.923 2.923 318 1H5* C 1 1H5' C5' 29 5.713 -7.735 -7.735 319 2H5* C 1 2H5' C5' 29 6.357 -8.758 -8.758 320 H4* C 1 H4' C5' 29 8.042 -7.023 -7.023 321 H3* C 1 H3' C5' 29 6.746 -5.490 -5.490 322 1H2* C 1 1H2' C5' 29 8.390 -4.277 -4.277 323 2H2* C 1 2H2' C5' 29 7.054 -3.621 -3.621 324 H1* C 1 H1' C5' 29 6.748 -4.710 -4.710 325 H3 C 1 H3 C5' 29 4.441 -0.722 -0.722 326 1H4 C 1 1H4 C5' 29 1.226 -1.748 -1.748 327 2H4 C 1 2H4 C5' 29 2.234 -0.406 -0.406 328 H5 C 1 H5 C5' 29 2.070 -4.028 -4.028 329 H6 C 1 H6 C5' 29 4.024 -5.511 -5.511 330 H5T C 1 H5' C5' 29 7.761 -7.868 -7.868 331 1H5* T 2 1H5' T 30 10.125 -3.237 -3.237 332 2H5* T 2 2H5' T 30 11.228 -3.180 -3.180 333 H4* T 2 H4' T 30 10.821 -0.973 -0.973 334 H3* T 2 H3' T 30 10.804 -1.503 -1.503 335 1H2* T 2 1H2' T 30 8.866 0.424 0.424 336 2H2* T 2 2H2' T 30 8.417 -1.291 -1.291 337 H1* T 2 H1' T 30 8.449 0.898 0.898 338 H3 T 2 H3 T 30 3.820 1.035 1.035 339 1H5M T 2 1H5M T 30 5.194 -3.956 -3.956 340 2H5M T 2 2H5M T 30 5.052 -3.945 -3.945 341 3H5M T 2 3H5M T 30 3.607 -3.672 -3.672 342 H6 T 2 H6 T 30 6.998 -2.529 -2.529 343 1H5* C 3 1H5' C 31 11.036 2.730 2.730 344 2H5* C 3 2H5' C 31 9.744 1.576 1.576 345 H4* C 3 H4' C 31 9.699 4.582 4.582 346 H3* C 3 H3' C 31 8.466 2.768 2.768 347 1H2* C 3 1H2' C 31 7.051 5.322 5.322 348 2H2* C 3 2H2' C 31 6.487 3.682 3.682 349 H1* C 3 H1' C 31 6.803 4.953 4.953 350 H3 C 3 H3 C 31 2.576 2.976 2.976 351 1H4 C 3 1H4 C 31 2.810 -0.484 -0.484 352 2H4 C 3 2H4 C 31 1.757 0.864 0.864 353 H5 C 3 H5 C 31 5.263 -0.215 -0.215 354 H6 C 3 H6 C 31 7.039 1.425 1.425 355 1H5* T 4 1H5' T 32 8.051 7.146 7.146 356 2H5* T 4 2H5' T 32 8.400 7.776 7.776 357 H4* T 4 H4' T 32 6.294 8.677 8.677 358 H3* T 4 H3' T 32 6.656 7.761 7.761 359 1H2* T 4 1H2' T 32 3.979 7.042 7.042 360 2H2* T 4 2H2' T 32 5.307 5.904 5.904 361 H1* T 4 H1' T 32 3.514 7.266 7.266 362 H3 T 4 H3 T 32 1.350 3.312 3.312 363 1H5M T 4 1H5M T 32 5.395 1.370 1.370 364 2H5M T 4 2H5M T 32 5.403 0.907 0.907 365 3H5M T 4 3H5M T 32 6.507 2.149 2.149 366 H6 T 4 H6 T 32 5.744 4.338 4.338 367 1H5* C 5 1H5' C 33 2.736 10.166 10.166 368 2H5* C 5 2H5' C 33 2.372 11.302 11.302 369 H4* C 5 H4' C 33 0.307 10.363 10.363 370 H3* C 5 H3' C 33 1.086 9.838 9.838 371 1H2* C 5 1H2' C 33 -1.336 8.473 8.473 372 2H2* C 5 2H2' C 33 0.191 7.681 7.681 373 H1* C 5 H1' C 33 -1.178 8.164 8.164 374 H3 C 5 H3 C 33 -1.563 3.489 3.489 375 1H4 C 5 1H4 C 33 1.381 1.939 1.939 376 2H4 C 5 2H4 C 33 -0.203 1.699 1.699 377 H5 C 5 H5 C 33 2.279 4.140 4.140 378 H6 C 5 H6 C 33 1.812 6.534 6.534 379 1H5* T 6 1H5' T3' 34 -4.451 10.727 10.727 380 2H5* T 6 2H5' T3' 34 -3.316 9.486 9.486 381 H4* T 6 H4' T3' 34 -5.248 9.119 9.119 382 H3* T 6 H3' T3' 34 -5.688 8.745 8.745 383 1H2* T 6 1H2' T3' 34 -5.634 6.035 6.035 384 2H2* T 6 2H2' T3' 34 -4.149 6.939 6.939 385 H1* T 6 H1' T3' 34 -5.136 6.271 6.271 386 H3 T 6 H3 T3' 34 -2.685 2.341 2.341 387 1H5M T 6 1H5M T3' 34 1.109 4.854 4.854 388 2H5M T 6 2H5M T3' 34 0.380 6.279 6.279 389 3H5M T 6 3H5M T3' 34 0.342 4.706 4.706 390 H6 T 6 H6 T3' 34 -1.837 6.795 6.795 Start of MODEL 10 1 1H5* G 1 1H5' G5' 1 -6.220 -6.969 -6.969 2 2H5* G 1 2H5' G5' 1 -6.790 -7.955 -7.955 3 H4* G 1 H4' G5' 1 -4.368 -8.200 -8.200 4 H3* G 1 H3' G5' 1 -5.564 -7.669 -7.669 5 1H2* G 1 1H2' G5' 1 -3.548 -6.027 -6.027 6 2H2* G 1 2H2' G5' 1 -4.939 -5.355 -5.355 7 H1* G 1 H1' G5' 1 -2.283 -6.268 -6.268 8 H8 G 1 H8 G5' 1 -5.002 -3.473 -3.473 9 H1 G 1 H1 G5' 1 1.061 -1.352 -1.352 10 1H2 G 1 1H2 G5' 1 2.476 -3.083 -3.083 11 2H2 G 1 2H2 G5' 1 1.919 -4.736 -4.736 12 H5T G 1 H5' G5' 1 -7.654 -5.838 -5.838 13 1H5* A 2 1H5' A 2 -0.836 -8.211 -8.211 14 2H5* A 2 2H5' A 2 -0.397 -9.395 -9.395 15 H4* A 2 H4' A 2 1.423 -7.844 -7.844 16 H3* A 2 H3' A 2 0.207 -8.344 -8.344 17 1H2* A 2 1H2' A 2 0.685 -5.822 -5.822 18 2H2* A 2 2H2' A 2 -0.823 -6.196 -6.196 19 H1* A 2 H1' A 2 1.773 -5.204 -5.204 20 H8 A 2 H8 A 2 -2.079 -4.512 -4.512 21 1H6 A 2 1H6 A 2 -0.578 1.451 1.451 22 2H6 A 2 2H6 A 2 -1.889 0.309 0.309 23 H2 A 2 H2 A 2 3.210 -0.931 -0.931 24 1H5* C 3 1H5' C 3 4.626 -6.417 -6.417 25 2H5* C 3 2H5' C 3 5.602 -7.113 -7.113 26 H4* C 3 H4' C 3 6.381 -4.861 -4.861 27 H3* C 3 H3' C 3 5.623 -5.636 -5.636 28 1H2* C 3 1H2' C 3 5.514 -2.914 -2.914 29 2H2* C 3 2H2' C 3 4.110 -4.005 -4.005 30 H1* C 3 H1' C 3 5.372 -2.210 -2.210 31 1H4 C 3 1H4 C 3 -1.309 -1.365 -1.365 32 2H4 C 3 2H4 C 3 -0.627 0.234 0.234 33 H5 C 3 H5 C 3 0.075 -3.410 -3.410 34 H6 C 3 H6 C 3 2.358 -4.239 -4.239 35 1H5* T 4 1H5' T 4 8.584 -1.916 -1.916 36 2H5* T 4 2H5' T 4 9.733 -1.930 -1.930 37 H4* T 4 H4' T 4 8.778 0.313 0.313 38 H3* T 4 H3' T 4 8.388 -1.048 -1.048 39 1H2* T 4 1H2' T 4 7.083 1.491 1.491 40 2H2* T 4 2H2' T 4 6.281 -0.098 -0.098 41 H1* T 4 H1' T 4 6.596 1.735 1.735 42 H3 T 4 H3 T 4 2.010 2.103 2.103 43 1H5M T 4 1H5M T 4 1.693 -2.238 -2.238 44 2H5M T 4 2H5M T 4 2.145 -2.773 -2.773 45 3H5M T 4 3H5M T 4 3.308 -2.949 -2.949 46 H6 T 4 H6 T 4 5.039 -1.598 -1.598 47 1H5* G 5 1H5' G 5 9.522 3.463 3.463 48 2H5* G 5 2H5' G 5 10.714 3.672 3.672 49 H4* G 5 H4' G 5 9.139 5.537 5.537 50 H3* G 5 H3' G 5 9.766 4.082 4.082 51 1H2* G 5 1H2' G 5 7.237 4.576 4.576 52 2H2* G 5 2H2' G 5 7.741 3.066 3.066 53 H1* G 5 H1' G 5 6.235 5.406 5.406 54 H8 G 5 H8 G 5 6.563 1.450 1.450 55 H1 G 5 H1 G 5 0.777 3.652 3.652 56 1H2 G 5 1H2 G 5 0.830 5.886 5.886 57 2H2 G 5 2H2 G 5 2.286 6.807 6.807 58 1H5* A 6 1H5' A 6 6.891 8.618 8.618 59 2H5* A 6 2H5' A 6 6.390 6.968 6.968 60 H4* A 6 H4' A 6 5.330 8.452 8.452 61 H3* A 6 H3' A 6 4.589 8.793 8.793 62 1H2* A 6 1H2' A 6 2.195 7.530 7.530 63 2H2* A 6 2H2' A 6 3.657 6.669 6.669 64 H1* A 6 H1' A 6 2.682 6.886 6.886 65 H8 A 6 H8 A 6 4.937 4.280 4.280 66 1H6 A 6 1H6 A 6 0.044 0.510 0.510 67 2H6 A 6 2H6 A 6 1.738 0.547 0.547 68 H2 A 6 H2 A 6 -1.156 4.783 4.783 69 1H5* G 7 1H5' G 7 0.212 9.732 9.732 70 2H5* G 7 2H5' G 7 -0.172 11.073 11.073 71 H4* G 7 H4' G 7 -1.793 9.363 9.363 72 H3* G 7 H3' G 7 0.029 10.035 10.035 73 1H2* G 7 1H2' G 7 -0.772 7.632 7.632 74 2H2* G 7 2H2' G 7 0.734 7.731 7.731 75 H1* G 7 H1' G 7 -2.024 7.103 7.103 76 H8 G 7 H8 G 7 1.701 5.824 5.824 77 H1 G 7 H1 G 7 -2.697 1.298 1.298 78 1H2 G 7 1H2 G 7 -4.710 2.215 2.215 79 2H2 G 7 2H2 G 7 -4.970 3.944 3.944 80 1H5* A 8 1H5' A 8 -4.113 9.061 9.061 81 2H5* A 8 2H5' A 8 -3.116 7.670 7.670 82 H4* A 8 H4' A 8 -4.563 8.127 8.127 83 H3* A 8 H3' A 8 -5.476 7.101 7.101 84 1H2* A 8 1H2' A 8 -5.240 4.494 4.494 85 2H2* A 8 2H2' A 8 -3.816 5.344 5.344 86 H1* A 8 H1' A 8 -4.385 5.000 5.000 87 H8 A 8 H8 A 8 -1.051 5.672 5.672 88 1H6 A 8 1H6 A 8 0.266 -0.378 -0.378 89 2H6 A 8 2H6 A 8 0.909 1.215 1.215 90 H2 A 8 H2 A 8 -4.054 0.117 0.117 91 1H5* G 9 1H5' G 9 -7.735 3.757 3.757 92 2H5* G 9 2H5' G 9 -9.293 3.787 3.787 93 H4* G 9 H4' G 9 -8.302 1.601 1.601 94 H3* G 9 H3' G 9 -8.663 3.245 3.245 95 1H2* G 9 1H2' G 9 -7.163 1.112 1.112 96 2H2* G 9 2H2' G 9 -6.550 2.710 2.710 97 H1* G 9 H1' G 9 -6.585 0.315 0.315 98 H8 G 9 H8 G 9 -4.170 3.303 3.303 99 H1 G 9 H1 G 9 -1.550 -2.560 -2.560 100 1H2 G 9 1H2 G 9 -3.137 -4.099 -4.099 101 2H2 G 9 2H2 G 9 -4.808 -3.655 -3.655 102 1H5* A 10 1H5' A 10 -8.683 -1.263 -1.263 103 2H5* A 10 2H5' A 10 -9.939 -2.028 -2.028 104 H4* A 10 H4' A 10 -7.915 -3.348 -3.348 105 H3* A 10 H3' A 10 -9.157 -2.234 -2.234 106 1H2* A 10 1H2' A 10 -6.746 -2.345 -2.345 107 2H2* A 10 2H2' A 10 -7.230 -0.862 -0.862 108 H1* A 10 H1' A 10 -5.607 -3.155 -3.155 109 H8 A 10 H8 A 10 -5.456 0.667 0.667 110 1H6 A 10 1H6 A 10 0.658 -0.562 -0.562 111 2H6 A 10 2H6 A 10 -0.536 0.717 0.717 112 H2 A 10 H2 A 10 -1.660 -4.388 -4.388 113 1H5* C 11 1H5' C 11 -6.857 -6.513 -6.513 114 2H5* C 11 2H5' C 11 -7.663 -7.522 -7.522 115 H4* C 11 H4' C 11 -5.220 -8.055 -8.055 116 H3* C 11 H3' C 11 -6.548 -7.343 -7.343 117 1H2* C 11 1H2' C 11 -4.003 -6.896 -6.896 118 2H2* C 11 2H2' C 11 -5.217 -5.636 -5.636 119 H1* C 11 H1' C 11 -2.976 -6.808 -6.808 120 1H4 C 11 1H4 C 11 -2.609 -0.093 -0.093 121 2H4 C 11 2H4 C 11 -0.979 -0.707 -0.707 122 H5 C 11 H5 C 11 -4.556 -1.572 -1.572 123 H6 C 11 H6 C 11 -5.225 -3.879 -3.879 124 1H5* G 12 1H5' G 12 -2.564 -9.977 -9.977 125 2H5* G 12 2H5' G 12 -2.919 -11.214 -11.214 126 H4* G 12 H4' G 12 -0.633 -10.331 -10.331 127 H3* G 12 H3' G 12 -2.478 -10.519 -10.519 128 1H2* G 12 1H2' G 12 -1.065 -8.418 -8.418 129 2H2* G 12 2H2' G 12 -2.625 -8.200 -8.200 130 H1* G 12 H1' G 12 0.200 -7.920 -7.920 131 H8 G 12 H8 G 12 -3.384 -6.363 -6.363 132 H1 G 12 H1 G 12 1.426 -2.144 -2.144 133 1H2 G 12 1H2 G 12 3.391 -3.225 -3.225 134 2H2 G 12 2H2 G 12 3.489 -4.963 -4.963 135 1H5* T 13 1H5' T 13 2.068 -9.702 -9.702 136 2H5* T 13 2H5' T 13 2.862 -10.642 -10.642 137 H4* T 13 H4' T 13 4.024 -8.526 -8.526 138 H3* T 13 H3' T 13 2.891 -9.326 -9.326 139 1H2* T 13 1H2' T 13 3.252 -6.601 -6.601 140 2H2* T 13 2H2' T 13 1.652 -7.363 -7.363 141 H1* T 13 H1' T 13 3.655 -5.982 -5.982 142 H3 T 13 H3 T 13 1.186 -2.097 -2.097 143 1H5M T 13 1H5M T 13 -2.424 -5.180 -5.180 144 2H5M T 13 2H5M T 13 -2.832 -4.550 -4.550 145 3H5M T 13 3H5M T 13 -2.286 -6.226 -6.226 146 H6 T 13 H6 T 13 0.044 -6.725 -6.725 147 1H5* A 14 1H5' A3' 14 6.411 -6.148 -6.148 148 2H5* A 14 2H5' A3' 14 7.517 -6.683 -6.683 149 H4* A 14 H4' A3' 14 7.132 -4.273 -4.273 150 H3* A 14 H3' A3' 14 6.869 -6.026 -6.026 151 1H2* A 14 1H2' A3' 14 4.745 -4.711 -4.711 152 2H2* A 14 2H2' A3' 14 4.489 -6.066 -6.066 153 H1* A 14 H1' A3' 14 4.667 -3.097 -3.097 154 H8 A 14 H8 A3' 14 2.308 -5.970 -5.970 155 1H6 A 14 1H6 A3' 14 -1.972 -2.038 -2.038 156 2H6 A 14 2H6 A3' 14 -1.734 -3.622 -3.622 157 H2 A 14 H2 A3' 14 2.052 -0.105 -0.105 158 1H5* T 1 1H5' T5' 15 -1.423 7.504 7.504 159 2H5* T 1 2H5' T5' 15 -1.062 8.472 8.472 160 H4* T 1 H4' T5' 15 0.258 6.348 6.348 161 H3* T 1 H3' T5' 15 -1.547 7.038 7.038 162 1H2* T 1 1H2' T5' 15 -0.932 4.392 4.392 163 2H2* T 1 2H2' T5' 15 -2.499 4.939 4.939 164 H1* T 1 H1' T5' 15 0.018 4.055 4.055 165 H3 T 1 H3 T5' 15 -1.001 -0.288 -0.288 166 1H5M T 1 1H5M T5' 15 -5.438 0.578 0.578 167 2H5M T 1 2H5M T5' 15 -5.668 1.266 1.266 168 3H5M T 1 3H5M T5' 15 -5.595 2.332 2.332 169 H6 T 1 H6 T5' 15 -3.632 3.604 3.604 170 H5T T 1 H5' T5' 15 -3.281 6.735 6.735 171 1H5* A 2 1H5' A 16 3.001 6.969 6.969 172 2H5* A 2 2H5' A 16 3.999 8.209 8.209 173 H4* A 2 H4' A 16 5.383 6.325 6.325 174 H3* A 2 H3' A 16 5.348 7.229 7.229 175 1H2* A 2 1H2' A 16 5.194 4.730 4.730 176 2H2* A 2 2H2' A 16 3.728 5.680 5.680 177 H1* A 2 H1' A 16 5.024 3.466 3.466 178 H8 A 2 H8 A 16 1.609 4.890 4.890 179 1H6 A 2 1H6 A 16 -0.509 -0.827 -0.827 180 2H6 A 2 2H6 A 16 -0.895 0.750 0.750 181 H2 A 2 H2 A 16 3.741 -0.596 -0.596 182 1H5* C 3 1H5' C 17 7.954 3.258 3.258 183 2H5* C 3 2H5' C 17 9.416 3.298 3.298 184 H4* C 3 H4' C 17 8.567 1.025 1.025 185 H3* C 3 H3' C 17 8.667 2.353 2.353 186 1H2* C 3 1H2' C 17 7.429 0.100 0.100 187 2H2* C 3 2H2' C 17 6.719 1.775 1.775 188 H1* C 3 H1' C 17 6.788 -0.514 -0.514 189 1H4 C 3 1H4 C 17 0.484 1.083 1.083 190 2H4 C 3 2H4 C 17 0.456 -0.621 -0.621 191 H5 C 3 H5 C 17 2.518 2.465 2.465 192 H6 C 3 H6 C 17 4.854 2.451 2.451 193 1H5* G 4 1H5' G 18 9.513 -2.267 -2.267 194 2H5* G 4 2H5' G 18 10.684 -2.730 -2.730 195 H4* G 4 H4' G 18 8.762 -4.269 -4.269 196 H3* G 4 H3' G 18 9.370 -2.792 -2.792 197 1H2* G 4 1H2' G 18 7.027 -3.991 -3.991 198 2H2* G 4 2H2' G 18 7.329 -2.279 -2.279 199 H1* G 4 H1' G 18 6.322 -4.484 -4.484 200 H8 G 4 H8 G 18 6.008 -0.688 -0.688 201 H1 G 4 H1 G 18 0.397 -3.771 -3.771 202 1H2 G 4 1H2 G 18 0.760 -5.950 -5.950 203 2H2 G 4 2H2 G 18 2.372 -6.614 -6.614 204 1H5* T 5 1H5' T 19 7.359 -6.768 -6.768 205 2H5* T 5 2H5' T 19 7.889 -8.042 -8.042 206 H4* T 5 H4' T 19 5.453 -8.097 -8.097 207 H3* T 5 H3' T 19 6.640 -7.875 -7.875 208 1H2* T 5 1H2' T 19 4.044 -7.223 -7.223 209 2H2* T 5 2H2' T 19 5.383 -6.066 -6.066 210 H1* T 5 H1' T 19 3.289 -6.859 -6.859 211 H3 T 5 H3 T 19 0.954 -2.910 -2.910 212 1H5M T 5 1H5M T 19 5.121 -0.597 -0.597 213 2H5M T 5 2H5M T 19 6.269 -1.902 -1.902 214 3H5M T 5 3H5M T 19 5.234 -1.302 -1.302 215 H6 T 5 H6 T 19 5.579 -4.123 -4.123 216 1H5* C 6 1H5' C 20 2.606 -10.733 -10.733 217 2H5* C 6 2H5' C 20 3.140 -9.063 -9.063 218 H4* C 6 H4' C 20 0.618 -9.865 -9.865 219 H3* C 6 H3' C 20 1.152 -9.478 -9.478 220 1H2* C 6 1H2' C 20 -0.740 -7.455 -7.455 221 2H2* C 6 2H2' C 20 1.041 -7.252 -7.252 222 H1* C 6 H1' C 20 -0.702 -7.184 -7.184 223 1H4 C 6 1H4 C 20 2.991 -1.604 -1.604 224 2H4 C 6 2H4 C 20 1.330 -1.076 -1.076 225 H5 C 6 H5 C 20 3.637 -4.015 -4.015 226 H6 C 6 H6 C 20 2.787 -6.252 -6.252 227 1H5* T 7 1H5' T 21 -3.393 -8.684 -8.684 228 2H5* T 7 2H5' T 21 -4.330 -9.619 -9.619 229 H4* T 7 H4' T 21 -5.227 -7.359 -7.359 230 H3* T 7 H3' T 21 -4.182 -8.394 -8.394 231 1H2* T 7 1H2' T 21 -4.110 -5.928 -5.928 232 2H2* T 7 2H2' T 21 -2.805 -6.940 -6.940 233 H1* T 7 H1' T 21 -4.517 -4.931 -4.931 234 H3 T 7 H3 T 21 -1.494 -1.467 -1.467 235 1H5M T 7 1H5M T 21 1.948 -4.615 -4.615 236 2H5M T 7 2H5M T 21 1.888 -4.987 -4.987 237 3H5M T 7 3H5M T 21 1.252 -6.145 -6.145 238 H6 T 7 H6 T 21 -1.031 -6.237 -6.237 239 1H5* C 8 1H5' C 22 -7.531 -5.156 -5.156 240 2H5* C 8 2H5' C 22 -8.736 -5.381 -5.381 241 H4* C 8 H4' C 22 -8.246 -2.992 -2.992 242 H3* C 8 H3' C 22 -7.983 -4.280 -4.280 243 1H2* C 8 1H2' C 22 -6.562 -2.037 -2.037 244 2H2* C 8 2H2' C 22 -5.831 -3.610 -3.610 245 H1* C 8 H1' C 22 -6.372 -1.287 -1.287 246 1H4 C 8 1H4 C 22 0.247 -2.441 -2.441 247 2H4 C 8 2H4 C 22 0.049 -0.708 -0.708 248 H5 C 8 H5 C 22 -1.652 -3.994 -3.994 249 H6 C 8 H6 C 22 -4.042 -4.182 -4.182 250 1H5* T 9 1H5' T 23 -8.822 0.326 0.326 251 2H5* T 9 2H5' T 23 -10.053 0.847 0.847 252 H4* T 9 H4' T 23 -8.438 2.634 2.634 253 H3* T 9 H3' T 23 -9.099 1.712 1.712 254 1H2* T 9 1H2' T 23 -6.661 2.711 2.711 255 2H2* T 9 2H2' T 23 -6.887 1.008 1.008 256 H1* T 9 H1' T 23 -5.898 3.137 3.137 257 H3 T 9 H3 T 23 -1.551 1.760 1.760 258 1H5M T 9 1H5M T 23 -3.452 -2.553 -2.553 259 2H5M T 9 2H5M T 23 -3.130 -2.784 -2.784 260 3H5M T 9 3H5M T 23 -4.792 -2.628 -2.628 261 H6 T 9 H6 T 23 -5.758 -0.525 -0.525 262 1H5* C 10 1H5' C 24 -7.173 6.100 6.100 263 2H5* C 10 2H5' C 24 -8.037 7.188 7.188 264 H4* C 10 H4' C 24 -5.731 7.934 7.934 265 H3* C 10 H3' C 24 -6.845 7.200 7.200 266 1H2* C 10 1H2' C 24 -4.203 7.295 7.295 267 2H2* C 10 2H2' C 24 -5.210 5.803 5.803 268 H1* C 10 H1' C 24 -3.284 7.162 7.162 269 1H4 C 10 1H4 C 24 -1.792 0.660 0.660 270 2H4 C 10 2H4 C 24 -0.264 1.506 1.506 271 H5 C 10 H5 C 24 -3.979 1.803 1.803 272 H6 C 10 H6 C 24 -5.028 3.952 3.952 273 1H5* A 11 1H5' A 25 -3.351 10.325 10.325 274 2H5* A 11 2H5' A 25 -3.707 11.569 11.569 275 H4* A 11 H4' A 25 -1.382 10.685 10.685 276 H3* A 11 H3' A 25 -3.269 10.749 10.749 277 1H2* A 11 1H2' A 25 -1.319 8.977 8.977 278 2H2* A 11 2H2' A 25 -2.984 8.546 8.546 279 H1* A 11 H1' A 25 -0.333 8.542 8.542 280 H8 A 11 H8 A 25 -3.629 6.477 6.477 281 1H6 A 11 1H6 A 25 -0.131 1.464 1.464 282 2H6 A 11 2H6 A 25 -1.726 2.055 2.055 283 H2 A 11 H2 A 25 2.448 5.074 5.074 284 1H5* G 12 1H5' G 26 1.378 10.966 10.966 285 2H5* G 12 2H5' G 26 1.995 11.825 11.825 286 H4* G 12 H4' G 26 3.326 9.824 9.824 287 H3* G 12 H3' G 26 2.096 10.171 10.171 288 1H2* G 12 1H2' G 26 2.823 7.577 7.577 289 2H2* G 12 2H2' G 26 1.161 8.132 8.132 290 H1* G 12 H1' G 26 3.309 7.258 7.258 291 H8 G 12 H8 G 26 -0.436 7.051 7.051 292 H1 G 12 H1 G 26 2.447 1.384 1.384 293 1H2 G 12 1H2 G 26 4.650 1.711 1.711 294 2H2 G 12 2H2 G 26 5.364 3.308 3.308 295 1H5* T 13 1H5' T 27 6.033 7.652 7.652 296 2H5* T 13 2H5' T 27 7.241 8.111 8.111 297 H4* T 13 H4' T 27 7.468 5.769 5.769 298 H3* T 13 H3' T 27 7.499 6.626 6.626 299 1H2* T 13 1H2' T 27 6.284 4.334 4.334 300 2H2* T 13 2H2' T 27 5.381 5.806 5.806 301 H1* T 13 H1' T 27 5.974 3.442 3.442 302 H3 T 13 H3 T 27 1.722 1.681 1.681 303 1H5M T 13 1H5M T 27 0.326 5.685 5.685 304 2H5M T 13 2H5M T 27 0.063 6.164 6.164 305 3H5M T 13 3H5M T 27 1.390 6.875 6.875 306 H6 T 13 H6 T 27 3.452 5.984 5.984 307 1H5* C 14 1H5' C3' 28 8.343 2.069 2.069 308 2H5* C 14 2H5' C3' 28 9.622 1.435 1.435 309 H4* C 14 H4' C3' 28 7.836 -0.216 -0.216 310 H3* C 14 H3' C3' 28 8.636 0.714 0.714 311 1H2* C 14 1H2' C3' 28 6.272 -0.487 -0.487 312 2H2* C 14 2H2' C3' 28 6.458 1.277 1.277 313 H1* C 14 H1' C3' 28 5.559 -0.775 -0.775 314 1H4 C 14 1H4 C3' 28 0.384 3.313 3.313 315 2H4 C 14 2H4 C3' 28 -0.280 1.721 1.721 316 H5 C 14 H5 C3' 28 2.822 3.776 3.776 317 H6 C 14 H6 C3' 28 4.984 2.793 2.793 318 1H5* C 1 1H5' C5' 29 5.150 -7.860 -7.860 319 2H5* C 1 2H5' C5' 29 5.759 -8.923 -8.923 320 H4* C 1 H4' C5' 29 7.552 -7.291 -7.291 321 H3* C 1 H3' C5' 29 6.306 -5.678 -5.678 322 1H2* C 1 1H2' C5' 29 8.051 -4.568 -4.568 323 2H2* C 1 2H2' C5' 29 6.735 -3.832 -3.832 324 H1* C 1 H1' C5' 29 6.418 -4.907 -4.907 325 H3 C 1 H3 C5' 29 4.309 -0.802 -0.802 326 1H4 C 1 1H4 C5' 29 1.030 -1.656 -1.656 327 2H4 C 1 2H4 C5' 29 2.114 -0.370 -0.370 328 H5 C 1 H5 C5' 29 1.750 -3.976 -3.976 329 H6 C 1 H6 C5' 29 3.624 -5.559 -5.559 330 H5T C 1 H5' C5' 29 7.166 -8.106 -8.106 331 1H5* T 2 1H5' T 30 9.796 -3.630 -3.630 332 2H5* T 2 2H5' T 30 10.889 -3.615 -3.615 333 H4* T 2 H4' T 30 10.605 -1.405 -1.405 334 H3* T 2 H3' T 30 10.546 -1.895 -1.895 335 1H2* T 2 1H2' T 30 8.724 0.152 0.152 336 2H2* T 2 2H2' T 30 8.171 -1.535 -1.535 337 H1* T 2 H1' T 30 8.336 0.610 0.610 338 H3 T 2 H3 T 30 3.719 0.998 0.998 339 1H5M T 2 1H5M T 30 4.838 -4.060 -4.060 340 2H5M T 2 2H5M T 30 4.674 -4.036 -4.036 341 3H5M T 2 3H5M T 30 3.259 -3.692 -3.692 342 H6 T 2 H6 T 30 6.700 -2.726 -2.726 343 1H5* C 3 1H5' C 31 11.042 2.340 2.340 344 2H5* C 3 2H5' C 31 9.696 1.244 1.244 345 H4* C 3 H4' C 31 9.790 4.238 4.238 346 H3* C 3 H3' C 31 8.505 2.526 2.526 347 1H2* C 3 1H2' C 31 7.196 5.129 5.129 348 2H2* C 3 2H2' C 31 6.558 3.516 3.516 349 H1* C 3 H1' C 31 6.940 4.754 4.754 350 H3 C 3 H3 C 31 2.589 3.077 3.077 351 1H4 C 3 1H4 C 31 2.592 -0.395 -0.395 352 2H4 C 3 2H4 C 31 1.632 1.019 1.019 353 H5 C 3 H5 C 31 5.052 -0.290 -0.290 354 H6 C 3 H6 C 31 6.932 1.222 1.222 355 1H5* T 4 1H5' T 32 8.309 6.919 6.919 356 2H5* T 4 2H5' T 32 8.703 7.579 7.579 357 H4* T 4 H4' T 32 6.633 8.551 8.551 358 H3* T 4 H3' T 32 6.975 7.650 7.650 359 1H2* T 4 1H2' T 32 4.253 7.111 7.111 360 2H2* T 4 2H2' T 32 5.509 5.890 5.890 361 H1* T 4 H1' T 32 3.782 7.274 7.274 362 H3 T 4 H3 T 32 1.474 3.398 3.398 363 1H5M T 4 1H5M T 32 6.550 2.041 2.041 364 2H5M T 4 2H5M T 32 5.331 1.259 1.259 365 3H5M T 4 3H5M T 32 5.449 0.867 0.867 366 H6 T 4 H6 T 32 5.885 4.267 4.267 367 1H5* C 5 1H5' C 33 3.198 10.104 10.104 368 2H5* C 5 2H5' C 33 2.744 11.245 11.245 369 H4* C 5 H4' C 33 0.765 10.137 10.137 370 H3* C 5 H3' C 33 1.516 9.665 9.665 371 1H2* C 5 1H2' C 33 -0.894 8.267 8.267 372 2H2* C 5 2H2' C 33 0.651 7.518 7.518 373 H1* C 5 H1' C 33 -0.587 8.030 8.030 374 H3 C 5 H3 C 33 -1.250 3.392 3.392 375 1H4 C 5 1H4 C 33 1.544 1.673 1.673 376 2H4 C 5 2H4 C 33 -0.032 1.543 1.543 377 H5 C 5 H5 C 33 2.569 3.837 3.837 378 H6 C 5 H6 C 33 2.248 6.256 6.256 379 1H5* T 6 1H5' T3' 34 -2.669 10.094 10.094 380 2H5* T 6 2H5' T3' 34 -3.809 10.996 10.996 381 H4* T 6 H4' T3' 34 -4.854 8.950 8.950 382 H3* T 6 H3' T3' 34 -4.825 9.586 9.586 383 1H2* T 6 1H2' T3' 34 -5.027 6.920 6.920 384 2H2* T 6 2H2' T3' 34 -3.449 7.759 7.759 385 H1* T 6 H1' T3' 34 -4.864 6.348 6.348 386 H3 T 6 H3 T3' 34 -2.582 2.387 2.387 387 1H5M T 6 1H5M T3' 34 1.270 4.745 4.745 388 2H5M T 6 2H5M T3' 34 0.554 6.173 6.173 389 3H5M T 6 3H5M T3' 34 0.411 4.577 4.577 390 H6 T 6 H6 T3' 34 -1.535 6.831 6.831
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