NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
633637 | 6d2u | 30452 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 DAB 1 H DAB 1 -3.082 -9.140 -1.919 2 HA DAB 1 HA DAB 1 -3.771 -8.279 -4.683 3 HB2 DAB 1 HB2 DAB 1 -3.826 -6.714 -2.092 4 HB3 DAB 1 HB3 DAB 1 -4.185 -6.051 -3.686 5 HG2 DAB 1 HG2 DAB 1 -5.720 -8.162 -2.162 6 HG3 DAB 1 HG3 DAB 1 -6.305 -6.602 -2.742 7 HD1 DAB 1 HD1 DAB 1 -5.977 -9.101 -4.164 8 HD2 DAB 1 HD2 DAB 1 -5.451 -7.726 -5.010 9 HD3 DAB 1 HD3 DAB 1 -7.051 -7.819 -4.453 10 H VAL 2 H VAL 2 -2.457 -6.712 -5.701 11 HA VAL 2 HA VAL 2 0.227 -6.411 -4.567 12 HB VAL 2 HB VAL 2 0.604 -7.927 -6.256 13 HG11 VAL 2 HG11 VAL 2 -0.444 -7.617 -8.541 14 HG12 VAL 2 HG12 VAL 2 -1.400 -6.299 -7.863 15 HG13 VAL 2 HG13 VAL 2 -1.607 -7.942 -7.256 16 HG21 VAL 2 HG21 VAL 2 0.881 -5.327 -7.789 17 HG22 VAL 2 HG22 VAL 2 1.923 -6.748 -7.849 18 HG23 VAL 2 HG23 VAL 2 1.926 -5.714 -6.421 19 H ARG 3 H ARG 3 1.292 -4.489 -4.675 20 HA ARG 3 HA ARG 3 -0.029 -2.317 -6.148 21 HB2 ARG 3 HB2 ARG 3 -0.033 -2.725 -3.220 22 HB3 ARG 3 HB3 ARG 3 0.435 -1.107 -3.737 23 HG2 ARG 3 HG2 ARG 3 -1.600 -0.671 -4.732 24 HG3 ARG 3 HG3 ARG 3 -1.960 -2.361 -5.020 25 HD2 ARG 3 HD2 ARG 3 -3.189 -2.449 -3.127 26 HD3 ARG 3 HD3 ARG 3 -1.807 -1.949 -2.172 27 HE ARG 3 HE ARG 3 -3.184 0.197 -3.557 28 HH11 ARG 3 HH11 ARG 3 -3.938 1.820 -2.174 29 HH12 ARG 3 HH12 ARG 3 -4.083 1.510 -0.476 30 HH21 ARG 3 HH21 ARG 3 -2.866 -1.729 -0.697 31 HH22 ARG 3 HH22 ARG 3 -3.473 -0.500 0.362 32 H THR 4 H THR 4 1.299 -0.636 -6.659 33 HA THR 4 HA THR 4 4.112 -1.006 -5.947 34 HB THR 4 HB THR 4 2.956 0.114 -8.493 35 HG1 THR 4 HG1 THR 4 2.929 -2.126 -8.404 36 HG21 THR 4 HG21 THR 4 5.335 0.225 -9.227 37 HG22 THR 4 HG22 THR 4 5.832 -0.197 -7.590 38 HG23 THR 4 HG23 THR 4 4.992 1.324 -7.893 39 H ARG 5 H ARG 5 5.389 0.808 -5.470 40 HA ARG 5 HA ARG 5 3.868 3.284 -4.922 41 HB2 ARG 5 HB2 ARG 5 6.164 2.372 -3.220 42 HB3 ARG 5 HB3 ARG 5 4.892 3.509 -2.820 43 HG2 ARG 5 HG2 ARG 5 4.402 0.573 -3.326 44 HG3 ARG 5 HG3 ARG 5 4.678 1.237 -1.718 45 HD2 ARG 5 HD2 ARG 5 2.329 1.525 -3.528 46 HD3 ARG 5 HD3 ARG 5 2.374 1.330 -1.781 47 HE ARG 5 HE ARG 5 2.491 3.805 -3.235 48 HH11 ARG 5 HH11 ARG 5 2.567 5.694 -1.934 49 HH12 ARG 5 HH12 ARG 5 2.940 5.553 -0.235 50 HH21 ARG 5 HH21 ARG 5 3.233 2.090 -0.361 51 HH22 ARG 5 HH22 ARG 5 3.319 3.500 0.639 52 H LYS 6 H LYS 6 4.663 4.172 -6.843 53 HA LYS 6 HA LYS 6 6.458 4.666 -8.384 54 HB2 LYS 6 HB2 LYS 6 5.232 6.584 -7.090 55 HB3 LYS 6 HB3 LYS 6 6.799 6.783 -6.303 56 HG2 LYS 6 HG2 LYS 6 7.635 6.616 -8.861 57 HG3 LYS 6 HG3 LYS 6 6.016 7.264 -9.137 58 HD2 LYS 6 HD2 LYS 6 6.727 8.925 -7.176 59 HD3 LYS 6 HD3 LYS 6 8.349 8.513 -7.724 60 HE2 LYS 6 HE2 LYS 6 7.566 10.514 -8.893 61 HE3 LYS 6 HE1 LYS 6 7.705 9.188 -10.047 62 HZ1 LYS 6 HZ1 LYS 6 5.232 10.213 -8.753 63 HZ2 LYS 6 HZ2 LYS 6 5.291 8.771 -9.649 64 HZ3 LYS 6 HZ3 LYS 6 5.628 10.254 -10.405 65 H GLY 7 H GLY 7 7.752 2.699 -7.388 66 HA2 GLY 7 HA2 GLY 7 10.317 2.803 -7.535 67 HA3 GLY 7 HA3 GLY 7 10.174 3.693 -6.026 68 H ARG 8 H ARG 8 8.368 2.370 -4.603 69 HA ARG 8 HA ARG 8 9.648 -0.204 -4.129 70 HB2 ARG 8 HB2 ARG 8 7.560 0.899 -2.290 71 HB3 ARG 8 HB3 ARG 8 8.972 -0.065 -1.922 72 HG2 ARG 8 HG2 ARG 8 10.285 1.758 -1.566 73 HG3 ARG 8 HG3 ARG 8 9.711 2.559 -3.026 74 HD2 ARG 8 HD2 ARG 8 7.924 2.405 -0.617 75 HD3 ARG 8 HD3 ARG 8 9.200 3.615 -0.693 76 HE ARG 8 HE ARG 8 6.732 3.721 -2.095 77 HH11 ARG 8 HH11 ARG 8 6.464 5.370 -3.629 78 HH12 ARG 8 HH12 ARG 8 7.851 6.158 -4.303 79 HH21 ARG 8 HH21 ARG 8 10.132 4.303 -2.467 80 HH22 ARG 8 HH22 ARG 8 9.925 5.554 -3.648 81 H ARG 9 H ARG 9 8.747 -1.941 -5.053 82 HA ARG 9 HA ARG 9 5.953 -1.969 -5.784 83 HB2 ARG 9 HB2 ARG 9 7.175 -2.866 -7.556 84 HB3 ARG 9 HB3 ARG 9 8.298 -3.683 -6.478 85 HG2 ARG 9 HG2 ARG 9 6.722 -5.394 -5.955 86 HG3 ARG 9 HG3 ARG 9 5.381 -4.478 -6.640 87 HD2 ARG 9 HD2 ARG 9 6.329 -4.708 -8.879 88 HD3 ARG 9 HD3 ARG 9 7.725 -5.558 -8.221 89 HE ARG 9 HE ARG 9 6.391 -7.463 -7.942 90 HH11 ARG 9 HH11 ARG 9 4.494 -8.641 -8.350 91 HH12 ARG 9 HH12 ARG 9 3.063 -7.816 -8.874 92 HH21 ARG 9 HH21 ARG 9 4.536 -4.676 -8.822 93 HH22 ARG 9 HH22 ARG 9 3.088 -5.570 -9.142 94 H ILE 10 H ILE 10 4.513 -2.527 -4.200 95 HA ILE 10 HA ILE 10 5.405 -4.678 -2.349 96 HB ILE 10 HB ILE 10 4.447 -3.549 -0.565 97 HG12 ILE 10 HG12 ILE 10 2.840 -1.967 -2.606 98 HG13 ILE 10 HG13 ILE 10 2.198 -3.149 -1.448 99 HG21 ILE 10 HG21 ILE 10 5.656 -1.609 -0.543 100 HG22 ILE 10 HG22 ILE 10 4.915 -1.013 -2.025 101 HG23 ILE 10 HG23 ILE 10 6.244 -2.166 -2.106 102 HD11 ILE 10 HD11 ILE 10 3.230 -1.675 0.373 103 HD12 ILE 10 HD12 ILE 10 1.814 -1.010 -0.453 104 HD13 ILE 10 HD13 ILE 10 3.433 -0.454 -0.880 105 H 4J5 11 H NOR 11 3.265 -5.371 -1.066 106 HA 4J5 11 HA NOR 11 0.954 -5.657 -2.691 107 HD 4J5 11 HD NOR 11 3.161 -10.276 -2.928 108 HB2 4J5 11 HB2 NOR 11 1.162 -7.791 -3.530 109 HB3 4J5 11 HB3 NOR 11 2.871 -7.437 -3.425 110 HG2 4J5 11 HG2 NOR 11 2.976 -8.604 -1.283 111 HG3 4J5 11 HG3 NOR 11 1.234 -8.853 -1.292 112 HH11 4J5 11 HH11 NOR 11 -0.100 -9.292 -2.453 113 HH12 4J5 11 HH12 NOR 11 -0.780 -10.656 -3.275 114 HH21 4J5 11 HH21 NOR 11 2.294 -12.147 -3.887 115 HH22 4J5 11 HH22 NOR 11 0.578 -12.278 -4.084 116 H ILE 12 H ILE 12 -0.765 -6.740 -1.661 117 HA ILE 12 HA ILE 12 -0.341 -7.052 1.240 118 HB ILE 12 HB ILE 12 -3.101 -6.476 0.693 119 HG12 ILE 12 HG12 ILE 12 -2.047 -5.361 -1.403 120 HG13 ILE 12 HG13 ILE 12 -3.052 -4.346 -0.378 121 HG21 ILE 12 HG21 ILE 12 -0.845 -5.005 2.081 122 HG22 ILE 12 HG22 ILE 12 -2.101 -6.003 2.819 123 HG23 ILE 12 HG23 ILE 12 -2.518 -4.443 2.107 124 HD11 ILE 12 HD11 ILE 12 -0.158 -4.436 0.307 125 HD12 ILE 12 HD12 ILE 12 -1.284 -3.085 0.357 126 HD13 ILE 12 HD13 ILE 12 -0.588 -3.603 -1.180 127 HA DPR 13 HA DPR 13 -2.238 -11.036 1.465 128 HB2 DPR 13 HB2 DPR 13 -0.541 -12.630 1.589 129 HB3 DPR 13 HB3 DPR 13 0.395 -11.864 0.286 130 HG2 DPR 13 HG2 DPR 13 0.086 -11.044 3.130 131 HG3 DPR 13 HG3 DPR 13 1.532 -11.042 2.105 132 HD2 DPR 13 HD2 DPR 13 -0.036 -8.810 2.618 133 HD3 DPR 13 HD3 DPR 13 1.051 -8.980 1.222 134 HA PRO 14 HA PRO 14 -3.100 -12.395 -2.765 135 HB2 PRO 14 HB2 PRO 14 -5.842 -11.593 -2.722 136 HB3 PRO 14 HB3 PRO 14 -5.181 -13.174 -2.272 137 HG2 PRO 14 HG2 PRO 14 -6.400 -11.397 -0.531 138 HG3 PRO 14 HG3 PRO 14 -5.329 -12.726 -0.059 139 HD2 PRO 14 HD2 PRO 14 -4.671 -9.811 -0.408 140 HD3 PRO 14 HD3 PRO 14 -4.155 -10.943 0.860 141 H5' G 17 H5' G 17 -16.210 -2.401 15.856 142 H5'' G 17 H5'' G 17 -14.596 -3.085 15.590 143 H4' G 17 H4' G 17 -16.230 -4.835 15.301 144 H3' G 17 H3' G 17 -15.032 -3.913 12.667 145 H2' G 17 H2'' G 17 -16.251 -5.633 11.624 146 HO2' G 17 H2' G 17 -16.197 -6.742 14.195 147 H1' G 17 H1' G 17 -18.541 -5.376 13.149 148 H8 G 17 H8 G 17 -17.430 -1.891 12.310 149 H1 G 17 H1 G 17 -20.312 -4.902 7.435 150 H21 G 17 H21 G 17 -20.523 -7.039 7.875 151 H22 G 17 H22 G 17 -19.962 -7.750 9.371 152 HO5' G 17 H5T G 17 -16.143 -1.519 13.801 153 H5' G 18 H5' G 18 -14.757 -7.990 12.717 154 H5'' G 18 H5'' G 18 -13.193 -8.653 12.202 155 H4' G 18 H4' G 18 -15.012 -9.623 10.883 156 H3' G 18 H3' G 18 -13.323 -7.701 9.231 157 H2' G 18 H2'' G 18 -14.622 -8.355 7.387 158 HO2' G 18 H2' G 18 -15.374 -10.322 7.183 159 H1' G 18 H1' G 18 -17.027 -8.559 8.753 160 H8 G 18 H8 G 18 -15.245 -5.332 9.684 161 H1 G 18 H1 G 18 -18.316 -5.043 4.072 162 H21 G 18 H21 G 18 -18.937 -7.079 3.435 163 H22 G 18 H22 G 18 -18.605 -8.502 4.397 164 H5' C 19 H5' C 19 -13.619 -11.231 7.094 165 H5'' C 19 H5'' C 19 -12.120 -11.789 6.326 166 H4' C 19 H4' C 19 -13.924 -11.604 4.673 167 H3' C 19 H3' C 19 -11.822 -9.432 4.273 168 H2' C 19 H2'' C 19 -13.028 -8.808 2.358 169 HO2' C 19 H2' C 19 -14.961 -10.528 2.016 170 H1' C 19 H1' C 19 -15.559 -9.319 3.416 171 H41 C 19 H41 C 19 -14.835 -3.012 3.547 172 H42 C 19 H42 C 19 -13.977 -3.126 5.067 173 H5 C 19 H5 C 19 -13.361 -5.234 6.077 174 H6 C 19 H6 C 19 -13.391 -7.665 5.804 175 H5' A 20 H5' A 20 -12.452 -11.156 0.585 176 H5'' A 20 H5'' A 20 -10.975 -11.522 -0.324 177 H4' A 20 H4' A 20 -12.488 -10.194 -1.701 178 H3' A 20 H3' A 20 -10.090 -8.554 -0.797 179 H2' A 20 H2'' A 20 -10.920 -6.819 -2.147 180 HO2' A 20 H2' A 20 -12.714 -8.689 -3.335 181 H1' A 20 H1' A 20 -13.614 -7.255 -1.636 182 H8 A 20 H8 A 20 -11.594 -7.340 1.586 183 H61 A 20 H61 A 20 -12.304 -1.192 1.664 184 H62 A 20 H62 A 20 -11.814 -2.593 2.590 185 H2 A 20 H2 A 20 -13.567 -2.681 -2.351 186 H5' G 21 H5' G 21 -10.393 -8.167 -4.937 187 H5'' G 21 H5'' G 21 -8.846 -8.228 -5.802 188 H4' G 21 H4' G 21 -10.053 -6.196 -6.387 189 H3' G 21 H3' G 21 -7.652 -5.575 -4.624 190 H2' G 21 H2'' G 21 -8.173 -3.313 -4.916 191 HO2' G 21 H2' G 21 -9.413 -4.250 -7.266 192 H1' G 21 H1' G 21 -10.957 -3.640 -5.019 193 H8 G 21 H8 G 21 -9.333 -5.400 -2.058 194 H1 G 21 H1 G 21 -10.235 0.858 -1.217 195 H21 G 21 H21 G 21 -10.788 1.832 -3.134 196 H22 G 21 H22 G 21 -10.946 0.923 -4.619 197 H5' A 22 H5' A 22 -7.493 -2.943 -7.724 198 H5'' A 22 H5'' A 22 -5.910 -2.823 -8.516 199 H4' A 22 H4' A 22 -6.657 -0.598 -7.858 200 H3' A 22 H3' A 22 -4.376 -1.617 -6.133 201 H2' A 22 H2'' A 22 -4.435 0.445 -5.004 202 HO2' A 22 H2' A 22 -5.010 2.325 -5.976 203 H1' A 22 H1' A 22 -7.235 0.952 -5.369 204 H8 A 22 H8 A 22 -6.499 -2.403 -3.747 205 H61 A 22 H61 A 22 -6.489 0.566 1.645 206 H62 A 22 H62 A 22 -6.474 -0.984 0.835 207 H2 A 22 H2 A 22 -6.547 3.658 -1.649 208 H5' U 23 H5' U 23 -3.224 2.201 -8.121 209 H5'' U 23 H5'' U 23 -1.878 1.910 -9.244 210 H4' U 23 H4' U 23 -1.589 4.049 -8.094 211 H3' U 23 H3' U 23 0.392 1.925 -7.199 212 H2' U 23 H2'' U 23 1.325 3.489 -5.757 213 HO2' U 23 H2' U 23 1.652 4.987 -7.539 214 H1' U 23 H1' U 23 -1.025 5.103 -5.476 215 H3 U 23 H3 U 23 0.504 4.450 -1.269 216 H5 U 23 H5 U 23 -1.076 0.738 -2.330 217 H6 U 23 H6 U 23 -1.341 1.570 -4.596 218 H5' C 24 H5' C 24 1.543 4.898 -10.990 219 H5'' C 24 H5'' C 24 3.054 4.264 -11.647 220 H4' C 24 H4' C 24 2.706 6.892 -10.181 221 H3' C 24 H3' C 24 2.355 6.407 -12.971 222 H2' C 24 H2'' C 24 4.587 6.314 -13.539 223 HO2' C 24 H2' C 24 4.654 8.191 -14.510 224 H1' C 24 H1' C 24 5.371 8.131 -11.265 225 H41 C 24 H41 C 24 10.948 5.546 -13.071 226 H42 C 24 H42 C 24 10.406 3.998 -12.461 227 H5 C 24 H5 C 24 8.190 3.612 -11.621 228 H6 C 24 H6 C 24 6.006 4.622 -11.183 229 H5' U 25 H5' U 25 0.426 6.210 -12.438 230 H5'' U 25 H5'' U 25 -1.288 6.526 -12.596 231 H4' U 25 H4' U 25 -0.861 4.985 -10.756 232 H3' U 25 H3' U 25 -2.460 7.260 -10.436 233 H2' U 25 H2'' U 25 -0.968 8.512 -9.125 234 HO2' U 25 H2' U 25 -1.675 6.686 -7.070 235 H1' U 25 H1' U 25 0.084 6.006 -7.826 236 H3 U 25 H3 U 25 2.769 10.453 -9.053 237 H5 U 25 H5 U 25 3.590 7.993 -5.709 238 H6 U 25 H6 U 25 1.838 6.513 -6.464 239 H5' G 26 H5' G 26 -5.557 7.884 -7.603 240 H5'' G 26 H5'' G 26 -3.998 8.612 -8.029 241 H4' G 26 H4' G 26 -4.795 9.562 -5.955 242 H3' G 26 H3' G 26 -2.450 7.679 -5.521 243 H2' G 26 H2'' G 26 -2.484 8.278 -3.273 244 HO2' G 26 H2' G 26 -3.320 10.179 -2.537 245 H1' G 26 H1' G 26 -5.250 8.554 -3.066 246 H8 G 26 H8 G 26 -5.115 5.201 -4.523 247 H1 G 26 H1 G 26 -2.768 5.421 1.442 248 H21 G 26 H21 G 26 -2.303 7.553 1.985 249 H22 G 26 H22 G 26 -2.596 8.872 0.875 250 H5' A 27 H5' A 27 -1.708 11.233 -3.559 251 H5'' A 27 H5'' A 27 -0.124 11.945 -3.894 252 H4' A 27 H4' A 27 -0.608 11.986 -1.490 253 H3' A 27 H3' A 27 1.589 9.959 -2.102 254 H2' A 27 H2'' A 27 1.783 9.733 0.239 255 HO2' A 27 H2' A 27 0.899 11.236 1.690 256 H1' A 27 H1' A 27 -0.941 9.945 0.792 257 H8 A 27 H8 A 27 -0.247 7.513 -2.062 258 H61 A 27 H61 A 27 0.612 3.320 2.435 259 H62 A 27 H62 A 27 0.438 3.582 0.707 260 H2 A 27 H2 A 27 0.351 7.376 4.317 261 H5' G 28 H5' G 28 2.897 12.585 0.840 262 H5'' G 28 H5'' G 28 4.607 13.035 0.761 263 H4' G 28 H4' G 28 4.050 12.157 2.964 264 H3' G 28 H3' G 28 5.803 10.180 1.453 265 H2' G 28 H2'' G 28 5.774 8.875 3.390 266 HO2' G 28 H2' G 28 5.199 9.758 5.435 267 H1' G 28 H1' G 28 3.184 9.593 4.224 268 H8 G 28 H8 G 28 3.404 8.386 0.610 269 H1 G 28 H1 G 28 3.273 3.675 4.920 270 H21 G 28 H21 G 28 3.547 4.470 6.961 271 H22 G 28 H22 G 28 3.743 6.178 7.275 272 H5' C 29 H5' C 29 7.293 10.702 5.207 273 H5'' C 29 H5'' C 29 9.046 10.920 5.346 274 H4' C 29 H4' C 29 8.266 9.131 6.836 275 H3' C 29 H3' C 29 9.926 8.045 4.529 276 H2' C 29 H2'' C 29 9.684 5.922 5.495 277 HO2' C 29 H2' C 29 9.029 7.295 7.915 278 H1' C 29 H1' C 29 7.123 6.364 6.628 279 H41 C 29 H41 C 29 6.308 2.245 1.868 280 H42 C 29 H42 C 29 6.278 3.570 0.721 281 H5 C 29 H5 C 29 6.744 5.851 1.333 282 H6 C 29 H6 C 29 7.351 7.351 3.171 283 H5' C 30 H5' C 30 11.291 6.479 8.050 284 H5'' C 30 H5'' C 30 13.043 6.553 8.325 285 H4' C 30 H4' C 30 12.205 4.265 8.638 286 H3' C 30 H3' C 30 13.917 4.571 6.143 287 H2' C 30 H2'' C 30 13.719 2.251 5.847 288 HO2' C 30 H2' C 30 13.170 0.849 7.514 289 H1' C 30 H1' C 30 11.086 2.048 6.828 290 H41 C 30 H41 C 30 10.706 1.387 0.528 291 H42 C 30 H42 C 30 10.678 3.126 0.338 292 H5 C 30 H5 C 30 11.010 4.657 2.166 293 H6 C 30 H6 C 30 11.425 4.842 4.555 294 H5' U 31 H5' U 31 18.357 2.182 6.628 295 H5'' U 31 H5'' U 31 17.494 2.972 5.290 296 H4' U 31 H4' U 31 17.174 0.082 6.178 297 H3' U 31 H3' U 31 19.075 1.194 4.350 298 H2' U 31 H2'' U 31 17.771 1.299 2.474 299 HO2' U 31 H2' U 31 18.169 -0.455 1.389 300 H1' U 31 H1' U 31 15.772 -0.717 3.392 301 H3 U 31 H3 U 31 12.682 0.767 0.488 302 H5 U 31 H5 U 31 14.873 4.259 1.361 303 H6 U 31 H6 U 31 16.249 2.946 2.864 304 H5' G 32 H5' G 32 19.912 -4.370 3.662 305 H5'' G 32 H5'' G 32 20.246 -3.932 1.971 306 H4' G 32 H4' G 32 18.744 -5.810 1.973 307 H3' G 32 H3' G 32 18.046 -3.510 0.601 308 H2' G 32 H2'' G 32 16.491 -2.681 2.177 309 HO2' G 32 H2' G 32 14.427 -3.260 1.505 310 H1' G 32 H1' G 32 15.491 -5.441 2.859 311 H8 G 32 H8 G 32 17.054 -2.261 4.511 312 H1 G 32 H1 G 32 11.812 -4.590 7.376 313 H21 G 32 H21 G 32 11.103 -6.403 6.314 314 H22 G 32 H22 G 32 11.911 -7.041 4.899 315 H5' G 33 H5' G 33 14.328 -5.107 0.138 316 H5'' G 33 H5'' G 33 14.094 -5.954 -1.401 317 H4' G 33 H4' G 33 12.130 -4.524 -0.879 318 H3' G 33 H3' G 33 13.464 -4.461 -3.345 319 H2' G 33 H2'' G 33 14.566 -2.423 -3.076 320 HO2' G 33 H2' G 33 12.220 -2.199 -4.351 321 H1' G 33 H1' G 33 12.285 -1.234 -1.513 322 H8 G 33 H8 G 33 15.645 -1.999 0.080 323 H1 G 33 H1 G 33 15.127 4.041 -2.000 324 H21 G 33 H21 G 33 13.294 4.269 -3.228 325 H22 G 33 H22 G 33 12.195 2.943 -3.532 326 H5' G 34 H5' G 34 12.077 -6.282 -2.107 327 H5'' G 34 H5'' G 34 11.254 -7.720 -2.688 328 H4' G 34 H4' G 34 11.180 -7.686 -0.251 329 H3' G 34 H3' G 34 8.881 -7.984 -1.804 330 H2' G 34 H2'' G 34 7.940 -5.906 -1.477 331 HO2' G 34 H2' G 34 7.112 -6.277 1.053 332 H1' G 34 H1' G 34 8.987 -5.660 1.334 333 H8 G 34 H8 G 34 8.016 -3.837 -1.927 334 H1 G 34 H1 G 34 9.706 0.094 2.797 335 H21 G 34 H21 G 34 10.498 -1.063 4.531 336 H22 G 34 H22 G 34 10.675 -2.803 4.500 337 H5' A 35 H5' A 35 7.466 -11.401 2.753 338 H5'' A 35 H5'' A 35 6.854 -11.573 1.098 339 H4' A 35 H4' A 35 7.391 -8.942 2.515 340 H3' A 35 H3' A 35 5.132 -10.500 2.913 341 H2' A 35 H2'' A 35 4.328 -10.444 0.692 342 HO2' A 35 H2' A 35 2.811 -8.722 0.525 343 H1' A 35 H1' A 35 5.230 -7.594 0.337 344 H8 A 35 H8 A 35 5.374 -7.065 -2.195 345 H61 A 35 H61 A 35 4.780 -12.189 -5.681 346 H62 A 35 H62 A 35 4.903 -10.444 -5.710 347 H2 A 35 H2 A 35 4.965 -13.411 -1.375 348 H5' G 36 H5' G 36 6.108 -7.842 5.715 349 H5'' G 36 H5'' G 36 4.800 -7.909 6.909 350 H4' G 36 H4' G 36 6.429 -6.299 7.642 351 H3' G 36 H3' G 36 3.936 -4.943 6.558 352 H2' G 36 H2'' G 36 4.884 -2.911 7.197 353 HO2' G 36 H2' G 36 6.735 -2.882 8.655 354 H1' G 36 H1' G 36 7.551 -3.630 6.705 355 H8 G 36 H8 G 36 5.539 -4.453 3.616 356 H1 G 36 H1 G 36 6.907 1.790 4.221 357 H21 G 36 H21 G 36 7.702 2.224 6.235 358 H22 G 36 H22 G 36 7.892 0.979 7.447 359 H5' C 37 H5' C 37 4.582 -3.269 10.333 360 H5'' C 37 H5'' C 37 3.104 -3.177 11.306 361 H4' C 37 H4' C 37 4.174 -0.991 11.241 362 H3' C 37 H3' C 37 1.667 -1.035 9.502 363 H2' C 37 H2'' C 37 2.027 1.292 9.254 364 HO2' C 37 H2' C 37 2.856 1.150 11.740 365 H1' C 37 H1' C 37 4.821 1.142 9.147 366 H41 C 37 H41 C 37 2.869 1.993 3.173 367 H42 C 37 H42 C 37 2.570 0.281 3.000 368 H5 C 37 H5 C 37 2.767 -1.278 4.851 369 H6 C 37 H6 C 37 3.237 -1.489 7.248 370 H5' U 38 H5' U 38 1.079 2.226 11.989 371 H5'' U 38 H5'' U 38 -0.569 2.354 12.631 372 H4' U 38 H4' U 38 0.053 4.412 11.471 373 H3' U 38 H3' U 38 -2.001 2.854 9.846 374 H2' U 38 H2'' U 38 -1.969 4.643 8.341 375 HO2' U 38 H2' U 38 -1.353 6.717 8.903 376 H1' U 38 H1' U 38 0.746 5.338 8.731 377 H3 U 38 H3 U 38 0.288 4.524 4.268 378 H5 U 38 H5 U 38 0.376 0.714 6.081 379 H6 U 38 H6 U 38 0.186 1.810 8.233 380 H5' C 39 H5' C 39 -3.331 6.759 10.289 381 H5'' C 39 H5'' C 39 -5.069 6.973 10.570 382 H4' C 39 H4' C 39 -4.295 8.298 8.648 383 H3' C 39 H3' C 39 -6.099 6.012 7.749 384 H2' C 39 H2'' C 39 -5.846 6.842 5.581 385 HO2' C 39 H2' C 39 -5.372 8.984 5.140 386 H1' C 39 H1' C 39 -3.253 7.918 5.961 387 H41 C 39 H41 C 39 -2.748 3.125 1.841 388 H42 C 39 H42 C 39 -2.781 1.949 3.136 389 H5 C 39 H5 C 39 -3.149 2.564 5.464 390 H6 C 39 H6 C 39 -3.646 4.441 6.984 391 H5' U 40 H5' U 40 -7.286 9.438 5.920 392 H5'' U 40 H5'' U 40 -9.028 9.769 5.869 393 H4' U 40 H4' U 40 -8.045 9.851 3.611 394 H3' U 40 H3' U 40 -9.872 7.448 3.989 395 H2' U 40 H2'' U 40 -9.501 6.946 1.724 396 HO2' U 40 H2' U 40 -9.105 8.436 0.235 397 H1' U 40 H1' U 40 -6.830 7.717 1.647 398 H3 U 40 H3 U 40 -6.920 3.184 0.802 399 H5 U 40 H5 U 40 -7.387 3.565 4.980 400 H6 U 40 H6 U 40 -7.635 5.949 4.680 401 H5' C 41 H5' C 41 -11.013 9.489 0.512 402 H5'' C 41 H5'' C 41 -12.760 9.717 0.300 403 H4' C 41 H4' C 41 -11.793 8.673 -1.689 404 H3' C 41 H3' C 41 -13.480 6.695 -0.100 405 H2' C 41 H2'' C 41 -13.087 5.175 -1.861 406 HO2' C 41 H2' C 41 -11.771 6.988 -3.527 407 H1' C 41 H1' C 41 -10.454 5.917 -2.322 408 H41 C 41 H41 C 41 -10.149 0.640 1.240 409 H42 C 41 H42 C 41 -10.378 1.601 2.683 410 H5 C 41 H5 C 41 -10.900 3.936 2.634 411 H6 C 41 H6 C 41 -11.287 5.886 1.200 412 H5' U 42 H5' U 42 -14.822 6.427 -3.993 413 H5'' U 42 H5'' U 42 -16.587 6.389 -4.173 414 H4' U 42 H4' U 42 -15.576 4.448 -5.272 415 H3' U 42 H3' U 42 -17.043 3.642 -2.726 416 H2' U 42 H2'' U 42 -16.560 1.417 -3.319 417 HO2' U 42 H2' U 42 -15.997 0.791 -5.388 418 H1' U 42 H1' U 42 -14.026 1.927 -4.366 419 H3 U 42 H3 U 42 -13.363 -0.790 -0.744 420 H5 U 42 H5 U 42 -13.951 3.059 0.861 421 H6 U 42 H6 U 42 -14.644 3.797 -1.340 422 H5' G 43 H5' G 43 -18.443 1.182 -5.757 423 H5'' G 43 H5'' G 43 -20.194 0.901 -5.744 424 H4' G 43 H4' G 43 -18.998 -1.225 -5.735 425 H3' G 43 H3' G 43 -20.296 -0.690 -3.033 426 H2' G 43 H2'' G 43 -19.543 -2.814 -2.396 427 HO2' G 43 H2' G 43 -18.559 -3.712 -4.797 428 H1' G 43 H1' G 43 -17.143 -2.746 -3.815 429 H8 G 43 H8 G 43 -17.710 0.437 -1.794 430 H1 G 43 H1 G 43 -15.392 -4.421 1.657 431 H21 G 43 H21 G 43 -15.530 -6.324 0.485 432 H22 G 43 H22 G 43 -16.176 -6.369 -1.139 433 H5' C 44 H5' C 44 -21.405 -4.502 -4.247 434 H5'' C 44 H5'' C 44 -23.103 -4.922 -3.962 435 H4' C 44 H4' C 44 -21.630 -6.606 -2.975 436 H3' C 44 H3' C 44 -22.977 -4.923 -0.826 437 H2' C 44 H2'' C 44 -21.953 -6.348 0.737 438 HO2' C 44 H2' C 44 -21.142 -8.166 -1.281 439 H1' C 44 H1' C 44 -19.584 -6.730 -0.695 440 H41 C 44 H41 C 44 -18.199 -2.620 3.966 441 H42 C 44 H42 C 44 -18.837 -1.301 3.009 442 H5 C 44 H5 C 44 -19.957 -1.630 0.894 443 H6 C 44 H6 C 44 -20.751 -3.301 -0.712 444 H5' C 45 H5' C 45 -23.515 -8.873 0.162 445 H5'' C 45 H5'' C 45 -25.171 -9.307 0.630 446 H4' C 45 H4' C 45 -23.592 -10.041 2.350 447 H3' C 45 H3' C 45 -25.276 -7.670 3.201 448 HO3' C 45 H3T C 45 -26.624 -9.226 3.817 449 H2' C 45 H2'' C 45 -24.251 -7.737 5.284 450 HO2' C 45 H2' C 45 -24.012 -10.471 4.693 451 H1' C 45 H1' C 45 -21.765 -8.805 4.369 452 H41 C 45 H41 C 45 -20.568 -2.733 6.086 453 H42 C 45 H42 C 45 -21.286 -2.200 4.590 454 H5 C 45 H5 C 45 -22.360 -3.653 3.034 455 H6 C 45 H6 C 45 -23.046 -5.950 2.564 Start of MODEL 2 1 H1 DAB 1 H DAB 1 -3.460 -8.740 -1.154 2 HA DAB 1 HA DAB 1 -4.046 -7.942 -3.961 3 HB2 DAB 1 HB2 DAB 1 -3.617 -5.815 -1.953 4 HB3 DAB 1 HB3 DAB 1 -4.839 -5.949 -3.216 5 HG2 DAB 1 HG2 DAB 1 -6.028 -7.659 -1.827 6 HG3 DAB 1 HG3 DAB 1 -4.841 -7.400 -0.549 7 HD1 DAB 1 HD1 DAB 1 -6.768 -6.079 -0.110 8 HD2 DAB 1 HD2 DAB 1 -6.725 -5.387 -1.660 9 HD3 DAB 1 HD3 DAB 1 -5.500 -5.034 -0.536 10 H VAL 2 H VAL 2 -2.550 -6.705 -5.089 11 HA VAL 2 HA VAL 2 0.138 -6.521 -3.915 12 HB VAL 2 HB VAL 2 1.167 -7.403 -5.800 13 HG11 VAL 2 HG11 VAL 2 -0.239 -9.032 -4.404 14 HG12 VAL 2 HG12 VAL 2 0.250 -9.583 -6.005 15 HG13 VAL 2 HG13 VAL 2 -1.393 -9.002 -5.737 16 HG21 VAL 2 HG21 VAL 2 0.113 -6.228 -7.585 17 HG22 VAL 2 HG22 VAL 2 -1.480 -6.855 -7.161 18 HG23 VAL 2 HG23 VAL 2 -0.276 -7.922 -7.883 19 H ARG 3 H ARG 3 1.175 -4.585 -4.119 20 HA ARG 3 HA ARG 3 0.263 -2.783 -6.280 21 HB2 ARG 3 HB2 ARG 3 0.234 -2.199 -3.315 22 HB3 ARG 3 HB3 ARG 3 0.217 -0.937 -4.546 23 HG2 ARG 3 HG2 ARG 3 -2.014 -1.162 -4.419 24 HG3 ARG 3 HG3 ARG 3 -1.790 -2.554 -5.455 25 HD2 ARG 3 HD2 ARG 3 -3.147 -3.314 -3.645 26 HD3 ARG 3 HD3 ARG 3 -1.532 -3.942 -3.330 27 HE ARG 3 HE ARG 3 -1.519 -2.670 -1.401 28 HH11 ARG 3 HH11 ARG 3 -2.213 -1.005 -0.036 29 HH12 ARG 3 HH12 ARG 3 -3.445 0.092 -0.565 30 HH21 ARG 3 HH21 ARG 3 -3.740 -1.354 -3.706 31 HH22 ARG 3 HH22 ARG 3 -4.313 -0.108 -2.649 32 H THR 4 H THR 4 1.663 -0.831 -6.388 33 HA THR 4 HA THR 4 4.230 -1.045 -5.132 34 HB THR 4 HB THR 4 4.371 -2.570 -7.139 35 HG1 THR 4 HG1 THR 4 6.307 -1.500 -7.925 36 HG21 THR 4 HG21 THR 4 2.887 -0.822 -8.442 37 HG22 THR 4 HG22 THR 4 4.117 -1.755 -9.295 38 HG23 THR 4 HG23 THR 4 4.448 -0.091 -8.813 39 H ARG 5 H ARG 5 5.724 0.751 -5.857 40 HA ARG 5 HA ARG 5 4.473 3.033 -7.081 41 HB2 ARG 5 HB2 ARG 5 4.883 4.441 -4.955 42 HB3 ARG 5 HB3 ARG 5 3.438 3.436 -5.016 43 HG2 ARG 5 HG2 ARG 5 5.357 1.720 -3.947 44 HG3 ARG 5 HG3 ARG 5 5.754 3.267 -3.213 45 HD2 ARG 5 HD2 ARG 5 3.087 1.832 -3.157 46 HD3 ARG 5 HD3 ARG 5 4.173 2.119 -1.803 47 HE ARG 5 HE ARG 5 2.777 4.268 -3.251 48 HH11 ARG 5 HH11 ARG 5 2.142 5.992 -1.906 49 HH12 ARG 5 HH12 ARG 5 2.451 5.910 -0.191 50 HH21 ARG 5 HH21 ARG 5 3.918 2.777 -0.355 51 HH22 ARG 5 HH22 ARG 5 3.436 4.085 0.666 52 H LYS 6 H LYS 6 6.050 4.038 -8.162 53 HA LYS 6 HA LYS 6 8.216 4.457 -8.898 54 HB2 LYS 6 HB2 LYS 6 7.873 5.536 -6.140 55 HB3 LYS 6 HB3 LYS 6 9.462 5.644 -6.883 56 HG2 LYS 6 HG2 LYS 6 8.819 7.273 -8.334 57 HG3 LYS 6 HG3 LYS 6 7.299 6.464 -8.712 58 HD2 LYS 6 HD2 LYS 6 6.455 7.241 -6.423 59 HD3 LYS 6 HD3 LYS 6 7.888 8.258 -6.339 60 HE2 LYS 6 HE2 LYS 6 7.121 9.272 -8.585 61 HE3 LYS 6 HE1 LYS 6 5.587 8.437 -8.312 62 HZ1 LYS 6 HZ1 LYS 6 6.465 9.834 -5.989 63 HZ2 LYS 6 HZ2 LYS 6 4.988 9.942 -6.824 64 HZ3 LYS 6 HZ3 LYS 6 6.317 10.878 -7.318 65 H GLY 7 H GLY 7 8.239 1.861 -8.612 66 HA2 GLY 7 HA2 GLY 7 9.910 0.250 -8.596 67 HA3 GLY 7 HA3 GLY 7 10.923 1.337 -7.660 68 H ARG 8 H ARG 8 8.799 1.809 -5.693 69 HA ARG 8 HA ARG 8 9.431 -0.362 -3.929 70 HB2 ARG 8 HB2 ARG 8 7.488 1.928 -3.629 71 HB3 ARG 8 HB3 ARG 8 7.904 0.833 -2.342 72 HG2 ARG 8 HG2 ARG 8 10.086 1.711 -2.138 73 HG3 ARG 8 HG3 ARG 8 10.076 2.342 -3.789 74 HD2 ARG 8 HD2 ARG 8 7.990 3.461 -2.002 75 HD3 ARG 8 HD3 ARG 8 9.648 3.882 -1.586 76 HE ARG 8 HE ARG 8 8.206 4.689 -3.989 77 HH11 ARG 8 HH11 ARG 8 9.286 6.264 -5.224 78 HH12 ARG 8 HH12 ARG 8 10.948 6.625 -4.892 79 HH21 ARG 8 HH21 ARG 8 11.206 4.328 -2.309 80 HH22 ARG 8 HH22 ARG 8 12.036 5.529 -3.243 81 H ARG 9 H ARG 9 8.617 -2.282 -4.594 82 HA ARG 9 HA ARG 9 5.801 -2.541 -5.333 83 HB2 ARG 9 HB2 ARG 9 7.844 -4.740 -5.167 84 HB3 ARG 9 HB3 ARG 9 6.352 -4.717 -6.102 85 HG2 ARG 9 HG2 ARG 9 7.942 -2.448 -6.923 86 HG3 ARG 9 HG3 ARG 9 8.974 -3.874 -6.923 87 HD2 ARG 9 HD2 ARG 9 6.269 -3.744 -8.277 88 HD3 ARG 9 HD3 ARG 9 7.812 -3.534 -9.102 89 HE ARG 9 HE ARG 9 8.215 -5.899 -7.962 90 HH11 ARG 9 HH11 ARG 9 7.488 -7.914 -8.688 91 HH12 ARG 9 HH12 ARG 9 6.028 -8.022 -9.614 92 HH21 ARG 9 HH21 ARG 9 5.415 -4.610 -9.532 93 HH22 ARG 9 HH22 ARG 9 4.854 -6.149 -10.091 94 H ILE 10 H ILE 10 4.342 -2.773 -3.730 95 HA ILE 10 HA ILE 10 5.204 -4.359 -1.366 96 HB ILE 10 HB ILE 10 3.901 -2.924 0.028 97 HG12 ILE 10 HG12 ILE 10 2.698 -2.104 -2.579 98 HG13 ILE 10 HG13 ILE 10 1.948 -2.220 -0.988 99 HG21 ILE 10 HG21 ILE 10 5.155 -0.898 -0.220 100 HG22 ILE 10 HG22 ILE 10 5.269 -1.105 -1.972 101 HG23 ILE 10 HG23 ILE 10 6.179 -2.171 -0.890 102 HD11 ILE 10 HD11 ILE 10 2.035 0.115 -1.536 103 HD12 ILE 10 HD12 ILE 10 3.721 -0.029 -2.052 104 HD13 ILE 10 HD13 ILE 10 3.309 -0.174 -0.342 105 H 4J5 11 H NOR 11 3.968 -6.031 -0.796 106 HA 4J5 11 HA NOR 11 1.426 -6.357 -2.233 107 HD 4J5 11 HD NOR 11 3.893 -10.150 -3.093 108 HB2 4J5 11 HB2 NOR 11 2.963 -8.660 -1.075 109 HB3 4J5 11 HB3 NOR 11 1.713 -8.680 -2.322 110 HG2 4J5 11 HG2 NOR 11 3.293 -7.356 -3.804 111 HG3 4J5 11 HG3 NOR 11 4.551 -7.618 -2.606 112 HH11 4J5 11 HH11 NOR 11 4.137 -7.463 -5.288 113 HH12 4J5 11 HH12 NOR 11 4.544 -8.452 -6.648 114 HH21 4J5 11 HH21 NOR 11 4.410 -11.427 -4.872 115 HH22 4J5 11 HH22 NOR 11 4.701 -10.695 -6.414 116 H ILE 12 H ILE 12 -0.385 -6.621 -1.205 117 HA ILE 12 HA ILE 12 -0.236 -6.814 1.747 118 HB ILE 12 HB ILE 12 -2.831 -5.929 0.945 119 HG12 ILE 12 HG12 ILE 12 -1.542 -5.294 -1.205 120 HG13 ILE 12 HG13 ILE 12 -2.434 -4.008 -0.398 121 HG21 ILE 12 HG21 ILE 12 -2.023 -3.816 2.115 122 HG22 ILE 12 HG22 ILE 12 -0.454 -4.605 2.274 123 HG23 ILE 12 HG23 ILE 12 -1.876 -5.305 3.050 124 HD11 ILE 12 HD11 ILE 12 0.445 -4.469 0.328 125 HD12 ILE 12 HD12 ILE 12 -0.503 -2.985 0.417 126 HD13 ILE 12 HD13 ILE 12 0.048 -3.588 -1.146 127 HA DPR 13 HA DPR 13 -2.551 -10.517 2.086 128 HB2 DPR 13 HB2 DPR 13 -1.085 -12.322 2.257 129 HB3 DPR 13 HB3 DPR 13 -0.139 -11.806 0.844 130 HG2 DPR 13 HG2 DPR 13 -0.049 -10.827 3.641 131 HG3 DPR 13 HG3 DPR 13 1.257 -11.014 2.459 132 HD2 DPR 13 HD2 DPR 13 -0.057 -8.611 3.078 133 HD3 DPR 13 HD3 DPR 13 0.966 -8.897 1.655 134 HA PRO 14 HA PRO 14 -3.919 -12.044 -1.917 135 HB2 PRO 14 HB2 PRO 14 -6.444 -11.047 -1.926 136 HB3 PRO 14 HB3 PRO 14 -5.957 -12.404 -0.891 137 HG2 PRO 14 HG2 PRO 14 -6.335 -9.535 -0.199 138 HG3 PRO 14 HG3 PRO 14 -6.746 -10.986 0.730 139 HD2 PRO 14 HD2 PRO 14 -4.495 -9.448 1.193 140 HD3 PRO 14 HD3 PRO 14 -4.646 -11.166 1.630 141 H5' G 17 H5' G 17 -15.988 -2.399 15.798 142 H5'' G 17 H5'' G 17 -14.383 -3.097 15.526 143 H4' G 17 H4' G 17 -16.037 -4.829 15.245 144 H3' G 17 H3' G 17 -14.833 -3.940 12.601 145 H2' G 17 H2'' G 17 -16.093 -5.626 11.553 146 HO2' G 17 H2' G 17 -17.304 -6.929 13.518 147 H1' G 17 H1' G 17 -18.369 -5.347 13.100 148 H8 G 17 H8 G 17 -17.197 -1.879 12.260 149 H1 G 17 H1 G 17 -20.221 -4.795 7.419 150 H21 G 17 H21 G 17 -20.475 -6.927 7.845 151 H22 G 17 H22 G 17 -19.909 -7.665 9.326 152 HO5' G 17 H5T G 17 -14.431 -2.215 13.429 153 H5' G 18 H5' G 18 -14.681 -8.035 12.628 154 H5'' G 18 H5'' G 18 -13.139 -8.745 12.119 155 H4' G 18 H4' G 18 -14.973 -9.656 10.785 156 H3' G 18 H3' G 18 -13.232 -7.765 9.146 157 H2' G 18 H2'' G 18 -14.549 -8.364 7.291 158 HO2' G 18 H2' G 18 -16.205 -10.209 7.933 159 H1' G 18 H1' G 18 -16.958 -8.542 8.661 160 H8 G 18 H8 G 18 -15.101 -5.357 9.602 161 H1 G 18 H1 G 18 -18.247 -4.952 4.040 162 H21 G 18 H21 G 18 -18.916 -6.968 3.390 163 H22 G 18 H22 G 18 -18.600 -8.407 4.335 164 H5' C 19 H5' C 19 -13.651 -11.249 6.982 165 H5'' C 19 H5'' C 19 -12.175 -11.850 6.208 166 H4' C 19 H4' C 19 -13.967 -11.593 4.560 167 H3' C 19 H3' C 19 -11.815 -9.467 4.175 168 H2' C 19 H2'' C 19 -13.020 -8.797 2.265 169 HO2' C 19 H2' C 19 -14.965 -10.413 1.829 170 H1' C 19 H1' C 19 -15.560 -9.277 3.327 171 H41 C 19 H41 C 19 -14.734 -2.975 3.502 172 H42 C 19 H42 C 19 -13.854 -3.118 5.007 173 H5 C 19 H5 C 19 -13.261 -5.241 5.991 174 H6 C 19 H6 C 19 -13.327 -7.670 5.701 175 H5' A 20 H5' A 20 -12.503 -11.162 0.508 176 H5'' A 20 H5'' A 20 -11.042 -11.543 -0.420 177 H4' A 20 H4' A 20 -12.554 -10.190 -1.770 178 H3' A 20 H3' A 20 -10.125 -8.581 -0.882 179 H2' A 20 H2'' A 20 -10.953 -6.835 -2.230 180 HO2' A 20 H2' A 20 -13.022 -8.354 -3.353 181 H1' A 20 H1' A 20 -13.640 -7.242 -1.673 182 H8 A 20 H8 A 20 -11.547 -7.344 1.516 183 H61 A 20 H61 A 20 -12.196 -1.194 1.608 184 H62 A 20 H62 A 20 -11.697 -2.602 2.516 185 H2 A 20 H2 A 20 -13.589 -2.670 -2.372 186 H5' G 21 H5' G 21 -10.504 -8.183 -5.020 187 H5'' G 21 H5'' G 21 -8.979 -8.261 -5.920 188 H4' G 21 H4' G 21 -10.185 -6.221 -6.484 189 H3' G 21 H3' G 21 -7.741 -5.601 -4.775 190 H2' G 21 H2'' G 21 -8.255 -3.332 -5.072 191 HO2' G 21 H2' G 21 -10.105 -4.026 -7.128 192 H1' G 21 H1' G 21 -11.041 -3.652 -5.083 193 H8 G 21 H8 G 21 -9.350 -5.441 -2.172 194 H1 G 21 H1 G 21 -10.220 0.810 -1.230 195 H21 G 21 H21 G 21 -10.789 1.816 -3.121 196 H22 G 21 H22 G 21 -10.975 0.930 -4.617 197 H5' A 22 H5' A 22 -7.672 -2.973 -7.835 198 H5'' A 22 H5'' A 22 -6.115 -2.815 -8.667 199 H4' A 22 H4' A 22 -6.907 -0.615 -7.978 200 H3' A 22 H3' A 22 -4.535 -1.579 -6.335 201 H2' A 22 H2'' A 22 -4.577 0.446 -5.182 202 HO2' A 22 H2' A 22 -5.872 1.442 -7.514 203 H1' A 22 H1' A 22 -7.387 0.900 -5.415 204 H8 A 22 H8 A 22 -6.550 -2.479 -3.891 205 H61 A 22 H61 A 22 -6.338 0.445 1.531 206 H62 A 22 H62 A 22 -6.377 -1.102 0.714 207 H2 A 22 H2 A 22 -6.437 3.550 -1.749 208 H5' U 23 H5' U 23 -3.580 2.416 -7.827 209 H5'' U 23 H5'' U 23 -2.519 2.107 -9.213 210 H4' U 23 H4' U 23 -1.844 4.181 -8.201 211 H3' U 23 H3' U 23 -0.024 1.907 -8.312 212 H2' U 23 H2'' U 23 0.623 1.946 -6.099 213 HO2' U 23 H2' U 23 1.709 4.356 -5.879 214 H1' U 23 H1' U 23 -0.292 4.769 -5.657 215 H3 U 23 H3 U 23 -0.316 4.414 -1.258 216 H5 U 23 H5 U 23 -1.379 0.565 -2.391 217 H6 U 23 H6 U 23 -1.129 1.234 -4.713 218 H5' C 24 H5' C 24 3.617 5.164 -7.231 219 H5'' C 24 H5'' C 24 1.971 5.458 -7.779 220 H4' C 24 H4' C 24 3.287 7.382 -8.347 221 H3' C 24 H3' C 24 1.974 6.009 -10.425 222 H2' C 24 H2'' C 24 3.878 5.175 -11.498 223 HO2' C 24 H2' C 24 3.811 6.391 -13.211 224 H1' C 24 H1' C 24 5.493 7.585 -10.660 225 H41 C 24 H41 C 24 10.353 3.748 -12.131 226 H42 C 24 H42 C 24 9.422 2.322 -11.733 227 H5 C 24 H5 C 24 7.128 2.417 -10.985 228 H6 C 24 H6 C 24 5.296 3.880 -10.319 229 H5' U 25 H5' U 25 0.534 6.123 -12.041 230 H5'' U 25 H5'' U 25 -1.158 6.601 -12.219 231 H4' U 25 H4' U 25 -0.687 4.887 -10.416 232 H3' U 25 H3' U 25 -2.574 6.968 -10.297 233 H2' U 25 H2'' U 25 -1.430 8.355 -8.804 234 HO2' U 25 H2' U 25 -2.187 6.388 -6.903 235 H1' U 25 H1' U 25 -0.250 5.988 -7.391 236 H3 U 25 H3 U 25 1.963 10.737 -8.315 237 H5 U 25 H5 U 25 2.893 8.284 -5.007 238 H6 U 25 H6 U 25 1.359 6.636 -5.888 239 H5' G 26 H5' G 26 -6.104 7.011 -7.446 240 H5'' G 26 H5'' G 26 -4.774 8.090 -7.907 241 H4' G 26 H4' G 26 -5.660 8.784 -5.771 242 H3' G 26 H3' G 26 -2.955 7.441 -5.423 243 H2' G 26 H2'' G 26 -3.073 7.921 -3.163 244 HO2' G 26 H2' G 26 -4.186 9.645 -2.357 245 H1' G 26 H1' G 26 -5.882 7.742 -2.951 246 H8 G 26 H8 G 26 -4.578 4.563 -4.492 247 H1 G 26 H1 G 26 -3.589 4.982 1.815 248 H21 G 26 H21 G 26 -4.063 7.063 2.518 249 H22 G 26 H22 G 26 -4.569 8.317 1.407 250 H5' A 27 H5' A 27 -2.949 11.026 -3.321 251 H5'' A 27 H5'' A 27 -1.503 12.009 -3.564 252 H4' A 27 H4' A 27 -2.006 11.853 -1.190 253 H3' A 27 H3' A 27 0.465 10.194 -1.858 254 H2' A 27 H2'' A 27 0.688 9.831 0.448 255 HO2' A 27 H2' A 27 -0.778 12.201 0.618 256 H1' A 27 H1' A 27 -2.026 9.650 1.013 257 H8 A 27 H8 A 27 -1.193 7.469 -1.976 258 H61 A 27 H61 A 27 0.351 3.209 2.269 259 H62 A 27 H62 A 27 0.040 3.500 0.563 260 H2 A 27 H2 A 27 -0.190 7.110 4.338 261 H5' G 28 H5' G 28 1.380 12.767 1.318 262 H5'' G 28 H5'' G 28 3.006 13.464 1.259 263 H4' G 28 H4' G 28 2.621 12.405 3.419 264 H3' G 28 H3' G 28 4.587 10.740 1.782 265 H2' G 28 H2'' G 28 4.798 9.391 3.690 266 HO2' G 28 H2' G 28 3.404 10.632 5.583 267 H1' G 28 H1' G 28 2.140 9.647 4.533 268 H8 G 28 H8 G 28 2.446 8.715 0.843 269 H1 G 28 H1 G 28 3.142 3.772 4.834 270 H21 G 28 H21 G 28 3.348 4.458 6.911 271 H22 G 28 H22 G 28 3.310 6.152 7.340 272 H5' C 29 H5' C 29 6.200 11.219 5.525 273 H5'' C 29 H5'' C 29 7.922 11.629 5.548 274 H4' C 29 H4' C 29 7.491 9.683 6.965 275 H3' C 29 H3' C 29 9.002 8.916 4.434 276 H2' C 29 H2'' C 29 9.064 6.730 5.237 277 HO2' C 29 H2' C 29 8.278 7.185 7.849 278 H1' C 29 H1' C 29 6.653 6.898 6.781 279 H41 C 29 H41 C 29 5.429 2.741 2.152 280 H42 C 29 H42 C 29 5.153 4.059 1.033 281 H5 C 29 H5 C 29 5.561 6.373 1.588 282 H6 C 29 H6 C 29 6.346 7.903 3.330 283 H5' C 30 H5' C 30 10.969 7.183 7.571 284 H5'' C 30 H5'' C 30 12.699 7.571 7.651 285 H4' C 30 H4' C 30 12.434 5.172 7.851 286 H3' C 30 H3' C 30 13.929 6.304 5.635 287 H2' C 30 H2'' C 30 12.838 5.186 3.933 288 HO2' C 30 H2' C 30 14.404 3.728 3.786 289 H1' C 30 H1' C 30 11.711 3.070 5.729 290 H41 C 30 H41 C 30 7.276 2.695 1.206 291 H42 C 30 H42 C 30 7.595 4.335 0.685 292 H5 C 30 H5 C 30 9.185 5.754 1.717 293 H6 C 30 H6 C 30 10.867 5.946 3.445 294 H5' U 31 H5' U 31 14.995 2.396 5.222 295 H5'' U 31 H5'' U 31 16.736 2.060 5.316 296 H4' U 31 H4' U 31 15.808 1.149 3.251 297 H3' U 31 H3' U 31 18.067 2.764 3.201 298 H2' U 31 H2'' U 31 17.211 4.715 2.257 299 HO2' U 31 H2' U 31 16.622 3.729 -0.177 300 H1' U 31 H1' U 31 15.026 3.453 0.710 301 H3 U 31 H3 U 31 12.531 7.152 0.598 302 H5 U 31 H5 U 31 14.816 7.707 4.095 303 H6 U 31 H6 U 31 15.775 5.509 3.746 304 H5' G 32 H5' G 32 16.220 2.000 -0.392 305 H5'' G 32 H5'' G 32 16.871 0.671 -1.339 306 H4' G 32 H4' G 32 15.542 2.584 -2.524 307 H3' G 32 H3' G 32 17.436 0.772 -3.496 308 H2' G 32 H2'' G 32 19.305 2.158 -3.433 309 HO2' G 32 H2' G 32 19.593 3.079 -5.487 310 H1' G 32 H1' G 32 17.723 4.601 -4.196 311 H8 G 32 H8 G 32 19.131 4.283 -0.688 312 H1 G 32 H1 G 32 23.053 7.312 -4.770 313 H21 G 32 H21 G 32 22.310 7.098 -6.850 314 H22 G 32 H22 G 32 20.854 6.210 -7.239 315 H5' G 33 H5' G 33 16.023 -0.729 -5.791 316 H5'' G 33 H5'' G 33 14.354 -0.692 -6.397 317 H4' G 33 H4' G 33 14.929 -2.980 -5.988 318 H3' G 33 H3' G 33 12.694 -1.858 -4.744 319 H2' G 33 H2'' G 33 13.636 -1.695 -2.585 320 HO2' G 33 H2' G 33 12.266 -3.045 -1.739 321 H1' G 33 H1' G 33 15.071 -4.305 -2.966 322 H8 G 33 H8 G 33 17.132 -1.220 -2.573 323 H1 G 33 H1 G 33 15.946 -4.142 2.999 324 H21 G 33 H21 G 33 14.397 -5.708 2.715 325 H22 G 33 H22 G 33 13.655 -6.023 1.163 326 H5' G 34 H5' G 34 12.883 -5.361 -2.782 327 H5'' G 34 H5'' G 34 11.782 -6.642 -3.318 328 H4' G 34 H4' G 34 12.106 -6.491 -0.818 329 H3' G 34 H3' G 34 9.753 -7.073 -2.178 330 H2' G 34 H2'' G 34 8.671 -5.054 -1.922 331 HO2' G 34 H2' G 34 7.469 -5.067 0.110 332 H1' G 34 H1' G 34 9.786 -4.511 0.786 333 H8 G 34 H8 G 34 8.854 -3.021 -2.682 334 H1 G 34 H1 G 34 9.537 1.257 2.004 335 H21 G 34 H21 G 34 10.309 0.291 3.840 336 H22 G 34 H22 G 34 10.671 -1.419 3.922 337 H5' A 35 H5' A 35 6.694 -8.690 -1.442 338 H5'' A 35 H5'' A 35 7.075 -7.050 -0.878 339 H4' A 35 H4' A 35 4.750 -7.446 -0.444 340 H3' A 35 H3' A 35 6.437 -6.740 1.614 341 H2' A 35 H2'' A 35 6.584 -8.738 2.731 342 HO2' A 35 H2' A 35 3.950 -8.549 3.584 343 H1' A 35 H1' A 35 3.819 -9.592 2.000 344 H8 A 35 H8 A 35 7.475 -10.630 2.213 345 H61 A 35 H61 A 35 5.428 -16.456 2.293 346 H62 A 35 H62 A 35 6.822 -15.416 2.482 347 H2 A 35 H2 A 35 1.949 -13.749 1.448 348 H5' G 36 H5' G 36 6.296 -6.388 3.768 349 H5'' G 36 H5'' G 36 4.662 -6.617 4.415 350 H4' G 36 H4' G 36 6.154 -6.308 6.258 351 H3' G 36 H3' G 36 4.182 -4.186 5.661 352 H2' G 36 H2'' G 36 5.243 -2.438 6.735 353 HO2' G 36 H2' G 36 6.205 -4.504 8.387 354 H1' G 36 H1' G 36 7.877 -3.076 6.526 355 H8 G 36 H8 G 36 6.657 -3.937 3.098 356 H1 G 36 H1 G 36 7.018 2.430 4.208 357 H21 G 36 H21 G 36 7.287 2.814 6.376 358 H22 G 36 H22 G 36 7.369 1.522 7.552 359 H5' C 37 H5' C 37 4.659 -3.494 9.604 360 H5'' C 37 H5'' C 37 3.162 -3.581 10.557 361 H4' C 37 H4' C 37 4.192 -1.386 10.835 362 H3' C 37 H3' C 37 1.708 -1.249 9.067 363 H2' C 37 H2'' C 37 1.984 1.107 9.129 364 HO2' C 37 H2' C 37 3.341 2.120 10.617 365 H1' C 37 H1' C 37 4.746 1.071 8.912 366 H41 C 37 H41 C 37 2.575 2.164 3.043 367 H42 C 37 H42 C 37 2.372 0.448 2.776 368 H5 C 37 H5 C 37 2.711 -1.201 4.525 369 H6 C 37 H6 C 37 3.255 -1.530 6.893 370 H5' U 38 H5' U 38 1.072 1.675 11.848 371 H5'' U 38 H5'' U 38 -0.577 1.748 12.493 372 H4' U 38 H4' U 38 0.047 3.892 11.494 373 H3' U 38 H3' U 38 -2.000 2.458 9.745 374 H2' U 38 H2'' U 38 -1.979 4.362 8.384 375 HO2' U 38 H2' U 38 -1.278 5.620 10.769 376 H1' U 38 H1' U 38 0.729 5.009 8.790 377 H3 U 38 H3 U 38 0.192 4.444 4.286 378 H5 U 38 H5 U 38 0.298 0.541 5.880 379 H6 U 38 H6 U 38 0.133 1.510 8.092 380 H5' C 39 H5' C 39 -3.231 6.307 10.418 381 H5'' C 39 H5'' C 39 -4.974 6.575 10.609 382 H4' C 39 H4' C 39 -4.015 7.936 8.782 383 H3' C 39 H3' C 39 -5.881 5.772 7.689 384 H2' C 39 H2'' C 39 -5.447 6.661 5.567 385 HO2' C 39 H2' C 39 -4.790 9.034 6.995 386 H1' C 39 H1' C 39 -2.810 7.550 6.147 387 H41 C 39 H41 C 39 -2.299 2.729 2.029 388 H42 C 39 H42 C 39 -2.597 1.562 3.298 389 H5 C 39 H5 C 39 -3.180 2.194 5.563 390 H6 C 39 H6 C 39 -3.645 4.089 7.060 391 H5' U 40 H5' U 40 -6.857 9.272 5.847 392 H5'' U 40 H5'' U 40 -8.579 9.698 5.825 393 H4' U 40 H4' U 40 -7.645 9.758 3.557 394 H3' U 40 H3' U 40 -9.553 7.423 3.960 395 H2' U 40 H2'' U 40 -9.263 6.912 1.691 396 HO2' U 40 H2' U 40 -8.087 9.491 1.368 397 H1' U 40 H1' U 40 -6.585 7.593 1.535 398 H3 U 40 H3 U 40 -6.832 3.067 0.700 399 H5 U 40 H5 U 40 -7.123 3.460 4.891 400 H6 U 40 H6 U 40 -7.304 5.857 4.599 401 H5' C 41 H5' C 41 -10.672 9.485 0.499 402 H5'' C 41 H5'' C 41 -12.413 9.769 0.312 403 H4' C 41 H4' C 41 -11.505 8.678 -1.680 404 H3' C 41 H3' C 41 -13.244 6.764 -0.066 405 H2' C 41 H2'' C 41 -12.909 5.205 -1.795 406 HO2' C 41 H2' C 41 -11.932 7.360 -3.392 407 H1' C 41 H1' C 41 -10.266 5.889 -2.330 408 H41 C 41 H41 C 41 -10.007 0.590 1.205 409 H42 C 41 H42 C 41 -10.196 1.546 2.658 410 H5 C 41 H5 C 41 -10.662 3.893 2.628 411 H6 C 41 H6 C 41 -11.048 5.858 1.214 412 H5' U 42 H5' U 42 -14.587 6.510 -3.969 413 H5'' U 42 H5'' U 42 -16.349 6.525 -4.157 414 H4' U 42 H4' U 42 -15.394 4.556 -5.253 415 H3' U 42 H3' U 42 -16.886 3.781 -2.708 416 H2' U 42 H2'' U 42 -16.453 1.542 -3.297 417 HO2' U 42 H2' U 42 -15.667 1.020 -5.435 418 H1' U 42 H1' U 42 -13.917 1.994 -4.369 419 H3 U 42 H3 U 42 -13.287 -0.770 -0.780 420 H5 U 42 H5 U 42 -13.804 3.069 0.871 421 H6 U 42 H6 U 42 -14.496 3.844 -1.318 422 H5' G 43 H5' G 43 -18.331 1.349 -5.752 423 H5'' G 43 H5'' G 43 -20.088 1.110 -5.742 424 H4' G 43 H4' G 43 -18.941 -1.045 -5.739 425 H3' G 43 H3' G 43 -20.224 -0.493 -3.030 426 H2' G 43 H2'' G 43 -19.518 -2.634 -2.394 427 HO2' G 43 H2' G 43 -19.504 -3.113 -5.172 428 H1' G 43 H1' G 43 -17.123 -2.620 -3.831 429 H8 G 43 H8 G 43 -17.613 0.560 -1.784 430 H1 G 43 H1 G 43 -15.353 -4.364 1.614 431 H21 G 43 H21 G 43 -15.540 -6.255 0.434 432 H22 G 43 H22 G 43 -16.200 -6.277 -1.186 433 H5' C 44 H5' C 44 -21.391 -4.287 -4.256 434 H5'' C 44 H5'' C 44 -23.094 -4.683 -3.973 435 H4' C 44 H4' C 44 -21.642 -6.394 -2.997 436 H3' C 44 H3' C 44 -22.964 -4.709 -0.826 437 H2' C 44 H2'' C 44 -21.951 -6.152 0.726 438 HO2' C 44 H2' C 44 -20.874 -8.144 -0.221 439 H1' C 44 H1' C 44 -19.597 -6.567 -0.724 440 H41 C 44 H41 C 44 -18.089 -2.530 3.959 441 H42 C 44 H42 C 44 -18.711 -1.191 3.023 442 H5 C 44 H5 C 44 -19.852 -1.476 0.911 443 H6 C 44 H6 C 44 -20.707 -3.115 -0.697 444 H5' C 45 H5' C 45 -23.534 -8.670 0.155 445 H5'' C 45 H5'' C 45 -25.189 -9.089 0.633 446 H4' C 45 H4' C 45 -23.602 -9.854 2.327 447 H3' C 45 H3' C 45 -25.262 -7.484 3.217 448 HO3' C 45 H3T C 45 -26.651 -9.046 3.484 449 H2' C 45 H2'' C 45 -24.216 -7.568 5.287 450 HO2' C 45 H2' C 45 -23.621 -9.414 6.234 451 H1' C 45 H1' C 45 -21.750 -8.651 4.340 452 H41 C 45 H41 C 45 -20.453 -2.613 6.087 453 H42 C 45 H42 C 45 -21.188 -2.056 4.608 454 H5 C 45 H5 C 45 -22.300 -3.481 3.052 455 H6 C 45 H6 C 45 -23.025 -5.765 2.573 Start of MODEL 3 1 H1 DAB 1 H DAB 1 -2.444 -9.197 -1.644 2 HA DAB 1 HA DAB 1 -3.290 -8.183 -4.315 3 HB2 DAB 1 HB2 DAB 1 -2.964 -6.593 -1.765 4 HB3 DAB 1 HB3 DAB 1 -3.713 -6.063 -3.271 5 HG2 DAB 1 HG2 DAB 1 -4.726 -8.203 -1.379 6 HG3 DAB 1 HG3 DAB 1 -5.492 -6.659 -1.751 7 HD1 DAB 1 HD1 DAB 1 -6.590 -8.262 -3.045 8 HD2 DAB 1 HD2 DAB 1 -5.139 -8.993 -3.537 9 HD3 DAB 1 HD3 DAB 1 -5.554 -7.454 -4.121 10 H VAL 2 H VAL 2 -1.938 -6.843 -5.472 11 HA VAL 2 HA VAL 2 0.822 -6.545 -4.459 12 HB VAL 2 HB VAL 2 0.998 -8.172 -6.154 13 HG11 VAL 2 HG11 VAL 2 -0.076 -7.832 -8.397 14 HG12 VAL 2 HG12 VAL 2 -0.894 -6.415 -7.740 15 HG13 VAL 2 HG13 VAL 2 -1.238 -8.014 -7.084 16 HG21 VAL 2 HG21 VAL 2 2.396 -7.116 -7.738 17 HG22 VAL 2 HG22 VAL 2 2.444 -6.018 -6.359 18 HG23 VAL 2 HG23 VAL 2 1.423 -5.644 -7.748 19 H ARG 3 H ARG 3 1.622 -4.529 -4.392 20 HA ARG 3 HA ARG 3 0.400 -2.498 -6.154 21 HB2 ARG 3 HB2 ARG 3 0.470 -2.586 -3.169 22 HB3 ARG 3 HB3 ARG 3 0.653 -1.030 -3.963 23 HG2 ARG 3 HG2 ARG 3 -1.526 -0.931 -4.487 24 HG3 ARG 3 HG3 ARG 3 -1.538 -2.552 -5.154 25 HD2 ARG 3 HD2 ARG 3 -3.030 -2.744 -3.367 26 HD3 ARG 3 HD3 ARG 3 -1.536 -3.346 -2.674 27 HE ARG 3 HE ARG 3 -1.421 -1.404 -1.341 28 HH11 ARG 3 HH11 ARG 3 -2.405 0.434 -0.441 29 HH12 ARG 3 HH12 ARG 3 -3.842 1.078 -1.164 30 HH21 ARG 3 HH21 ARG 3 -3.919 -1.278 -3.708 31 HH22 ARG 3 HH22 ARG 3 -4.687 0.110 -3.028 32 H THR 4 H THR 4 1.698 -0.811 -6.697 33 HA THR 4 HA THR 4 4.493 -1.059 -5.863 34 HB THR 4 HB THR 4 3.600 -0.094 -8.569 35 HG1 THR 4 HG1 THR 4 4.796 -2.582 -8.127 36 HG21 THR 4 HG21 THR 4 5.983 -0.607 -9.126 37 HG22 THR 4 HG22 THR 4 6.268 -0.962 -7.424 38 HG23 THR 4 HG23 THR 4 5.818 0.669 -7.921 39 H ARG 5 H ARG 5 5.690 0.760 -5.498 40 HA ARG 5 HA ARG 5 4.187 3.309 -5.428 41 HB2 ARG 5 HB2 ARG 5 6.292 2.637 -3.396 42 HB3 ARG 5 HB3 ARG 5 4.990 3.803 -3.286 43 HG2 ARG 5 HG2 ARG 5 4.493 0.824 -3.440 44 HG3 ARG 5 HG3 ARG 5 4.698 1.671 -1.908 45 HD2 ARG 5 HD2 ARG 5 2.510 1.966 -3.950 46 HD3 ARG 5 HD3 ARG 5 2.366 1.672 -2.220 47 HE ARG 5 HE ARG 5 2.732 4.214 -3.513 48 HH11 ARG 5 HH11 ARG 5 2.760 6.032 -2.160 49 HH12 ARG 5 HH12 ARG 5 2.909 5.827 -0.435 50 HH21 ARG 5 HH21 ARG 5 3.043 2.360 -0.616 51 HH22 ARG 5 HH22 ARG 5 3.062 3.742 0.432 52 H LYS 6 H LYS 6 5.229 3.651 -7.513 53 HA LYS 6 HA LYS 6 7.351 3.806 -8.759 54 HB2 LYS 6 HB2 LYS 6 5.809 5.734 -8.842 55 HB3 LYS 6 HB3 LYS 6 6.650 6.428 -7.451 56 HG2 LYS 6 HG2 LYS 6 8.609 6.832 -8.674 57 HG3 LYS 6 HG3 LYS 6 8.225 5.599 -9.869 58 HD2 LYS 6 HD2 LYS 6 7.941 7.932 -10.748 59 HD3 LYS 6 HD3 LYS 6 6.479 6.959 -10.847 60 HE2 LYS 6 HE2 LYS 6 5.649 8.026 -8.756 61 HE3 LYS 6 HE1 LYS 6 7.096 9.032 -8.708 62 HZ1 LYS 6 HZ1 LYS 6 5.404 8.981 -11.111 63 HZ2 LYS 6 HZ2 LYS 6 6.446 10.204 -10.548 64 HZ3 LYS 6 HZ3 LYS 6 4.953 9.922 -9.762 65 H GLY 7 H GLY 7 8.682 2.502 -7.272 66 HA2 GLY 7 HA2 GLY 7 11.128 3.014 -6.859 67 HA3 GLY 7 HA3 GLY 7 10.527 4.176 -5.683 68 H ARG 8 H ARG 8 8.275 2.042 -5.236 69 HA ARG 8 HA ARG 8 9.819 0.021 -3.809 70 HB2 ARG 8 HB2 ARG 8 7.617 1.279 -2.238 71 HB3 ARG 8 HB3 ARG 8 9.075 0.477 -1.695 72 HG2 ARG 8 HG2 ARG 8 10.433 2.388 -2.093 73 HG3 ARG 8 HG3 ARG 8 9.205 3.155 -3.095 74 HD2 ARG 8 HD2 ARG 8 8.328 2.560 -0.338 75 HD3 ARG 8 HD3 ARG 8 9.620 3.751 -0.463 76 HE ARG 8 HE ARG 8 6.909 4.220 -1.083 77 HH11 ARG 8 HH11 ARG 8 6.344 6.119 -2.184 78 HH12 ARG 8 HH12 ARG 8 7.536 6.969 -3.108 79 HH21 ARG 8 HH21 ARG 8 10.089 4.746 -2.367 80 HH22 ARG 8 HH22 ARG 8 9.651 6.192 -3.212 81 H ARG 9 H ARG 9 9.025 -1.814 -4.582 82 HA ARG 9 HA ARG 9 6.264 -2.042 -5.413 83 HB2 ARG 9 HB2 ARG 9 7.132 -4.475 -5.933 84 HB3 ARG 9 HB3 ARG 9 7.560 -3.134 -6.993 85 HG2 ARG 9 HG2 ARG 9 9.734 -2.995 -6.173 86 HG3 ARG 9 HG3 ARG 9 9.313 -3.768 -4.643 87 HD2 ARG 9 HD2 ARG 9 9.027 -5.316 -7.203 88 HD3 ARG 9 HD3 ARG 9 10.620 -5.146 -6.466 89 HE ARG 9 HE ARG 9 8.929 -5.949 -4.424 90 HH11 ARG 9 HH11 ARG 9 8.726 -8.137 -3.868 91 HH12 ARG 9 HH12 ARG 9 9.094 -9.361 -5.035 92 HH21 ARG 9 HH21 ARG 9 9.925 -7.097 -7.531 93 HH22 ARG 9 HH22 ARG 9 9.774 -8.771 -7.115 94 H ILE 10 H ILE 10 4.766 -2.459 -3.869 95 HA ILE 10 HA ILE 10 5.666 -4.196 -1.630 96 HB ILE 10 HB ILE 10 4.311 -2.959 -0.175 97 HG12 ILE 10 HG12 ILE 10 2.980 -1.845 -2.671 98 HG13 ILE 10 HG13 ILE 10 2.234 -2.877 -1.441 99 HG21 ILE 10 HG21 ILE 10 4.874 -0.591 -1.848 100 HG22 ILE 10 HG22 ILE 10 6.255 -1.668 -1.673 101 HG23 ILE 10 HG23 ILE 10 5.472 -0.999 -0.244 102 HD11 ILE 10 HD11 ILE 10 3.251 -0.048 -1.083 103 HD12 ILE 10 HD12 ILE 10 2.728 -1.080 0.246 104 HD13 ILE 10 HD13 ILE 10 1.575 -0.591 -0.997 105 H 4J5 11 H NOR 11 4.671 -6.037 -1.245 106 HA 4J5 11 HA NOR 11 2.175 -6.583 -2.726 107 HD 4J5 11 HD NOR 11 1.195 -8.021 -3.657 108 HB2 4J5 11 HB2 NOR 11 3.989 -8.093 -3.395 109 HB3 4J5 11 HB3 NOR 11 4.250 -8.520 -1.704 110 HG2 4J5 11 HG2 NOR 11 2.919 -10.230 -2.880 111 HG3 4J5 11 HG3 NOR 11 2.039 -9.504 -1.538 112 HH11 4J5 11 HH11 NOR 11 1.564 -11.411 -3.078 113 HH12 4J5 11 HH12 NOR 11 0.275 -11.880 -4.135 114 HH21 4J5 11 HH21 NOR 11 -0.488 -8.636 -5.084 115 HH22 4J5 11 HH22 NOR 11 -0.887 -10.312 -5.267 116 H ILE 12 H ILE 12 0.392 -6.881 -1.579 117 HA ILE 12 HA ILE 12 0.670 -7.240 1.334 118 HB ILE 12 HB ILE 12 -1.987 -6.433 0.324 119 HG12 ILE 12 HG12 ILE 12 0.490 -4.839 -0.304 120 HG13 ILE 12 HG13 ILE 12 -0.980 -5.037 -1.259 121 HG21 ILE 12 HG21 ILE 12 -1.067 -6.495 2.733 122 HG22 ILE 12 HG22 ILE 12 -1.952 -5.043 2.251 123 HG23 ILE 12 HG23 ILE 12 -0.188 -5.026 2.302 124 HD11 ILE 12 HD11 ILE 12 -1.092 -2.823 -0.419 125 HD12 ILE 12 HD12 ILE 12 -0.539 -3.318 1.181 126 HD13 ILE 12 HD13 ILE 12 -2.159 -3.753 0.632 127 HA DPR 13 HA DPR 13 -1.276 -11.209 1.413 128 HB2 DPR 13 HB2 DPR 13 0.414 -12.861 1.209 129 HB3 DPR 13 HB3 DPR 13 1.269 -11.942 -0.057 130 HG2 DPR 13 HG2 DPR 13 1.107 -11.403 2.876 131 HG3 DPR 13 HG3 DPR 13 2.506 -11.345 1.787 132 HD2 DPR 13 HD2 DPR 13 0.999 -9.124 2.533 133 HD3 DPR 13 HD3 DPR 13 2.028 -9.221 1.092 134 HA PRO 14 HA PRO 14 -2.679 -12.433 -2.691 135 HB2 PRO 14 HB2 PRO 14 -5.289 -11.717 -2.530 136 HB3 PRO 14 HB3 PRO 14 -4.625 -13.099 -1.636 137 HG2 PRO 14 HG2 PRO 14 -5.257 -10.352 -0.677 138 HG3 PRO 14 HG3 PRO 14 -5.500 -11.913 0.124 139 HD2 PRO 14 HD2 PRO 14 -3.387 -10.218 0.672 140 HD3 PRO 14 HD3 PRO 14 -3.353 -11.976 0.946 141 H5' G 17 H5' G 17 -16.203 -2.290 15.845 142 H5'' G 17 H5'' G 17 -14.589 -2.977 15.582 143 H4' G 17 H4' G 17 -16.228 -4.725 15.300 144 H3' G 17 H3' G 17 -15.023 -3.822 12.667 145 H2' G 17 H2'' G 17 -16.242 -5.542 11.632 146 HO2' G 17 H2' G 17 -17.020 -7.300 12.714 147 H1' G 17 H1' G 17 -18.535 -5.277 13.153 148 H8 G 17 H8 G 17 -17.412 -1.799 12.284 149 H1 G 17 H1 G 17 -20.290 -4.841 7.429 150 H21 G 17 H21 G 17 -20.510 -6.974 7.885 151 H22 G 17 H22 G 17 -19.957 -7.674 9.389 152 HO5' G 17 H5T G 17 -14.357 -1.811 13.841 153 H5' G 18 H5' G 18 -14.750 -7.912 12.747 154 H5'' G 18 H5'' G 18 -13.183 -8.574 12.235 155 H4' G 18 H4' G 18 -14.999 -9.548 10.911 156 H3' G 18 H3' G 18 -13.310 -7.637 9.252 157 H2' G 18 H2'' G 18 -14.608 -8.309 7.413 158 HO2' G 18 H2' G 18 -16.211 -10.165 7.985 159 H1' G 18 H1' G 18 -17.012 -8.500 8.774 160 H8 G 18 H8 G 18 -15.229 -5.270 9.694 161 H1 G 18 H1 G 18 -18.288 -5.006 4.074 162 H21 G 18 H21 G 18 -18.905 -7.048 3.444 163 H22 G 18 H22 G 18 -18.578 -8.464 4.416 164 H5' C 19 H5' C 19 -13.594 -11.195 7.140 165 H5'' C 19 H5'' C 19 -12.090 -11.743 6.375 166 H4' C 19 H4' C 19 -13.894 -11.569 4.718 167 H3' C 19 H3' C 19 -11.801 -9.400 4.303 168 H2' C 19 H2'' C 19 -13.012 -8.788 2.385 169 HO2' C 19 H2' C 19 -14.385 -10.146 1.318 170 H1' C 19 H1' C 19 -15.538 -9.289 3.450 171 H41 C 19 H41 C 19 -14.797 -2.992 3.554 172 H42 C 19 H42 C 19 -13.942 -3.098 5.076 173 H5 C 19 H5 C 19 -13.327 -5.201 6.095 174 H6 C 19 H6 C 19 -13.367 -7.633 5.832 175 H5' A 20 H5' A 20 -12.431 -11.161 0.616 176 H5'' A 20 H5'' A 20 -10.947 -11.519 -0.289 177 H4' A 20 H4' A 20 -12.465 -10.189 -1.666 178 H3' A 20 H3' A 20 -10.063 -8.553 -0.777 179 H2' A 20 H2'' A 20 -10.897 -6.818 -2.117 180 HO2' A 20 H2' A 20 -12.019 -7.145 -3.903 181 H1' A 20 H1' A 20 -13.590 -7.254 -1.610 182 H8 A 20 H8 A 20 -11.569 -7.327 1.613 183 H61 A 20 H61 A 20 -12.276 -1.181 1.667 184 H62 A 20 H62 A 20 -11.791 -2.579 2.599 185 H2 A 20 H2 A 20 -13.534 -2.684 -2.345 186 H5' G 21 H5' G 21 -10.404 -8.184 -4.916 187 H5'' G 21 H5'' G 21 -8.863 -8.246 -5.793 188 H4' G 21 H4' G 21 -10.077 -6.207 -6.365 189 H3' G 21 H3' G 21 -7.656 -5.599 -4.635 190 H2' G 21 H2'' G 21 -8.164 -3.334 -4.907 191 HO2' G 21 H2' G 21 -9.878 -4.082 -7.070 192 H1' G 21 H1' G 21 -10.957 -3.652 -4.997 193 H8 G 21 H8 G 21 -9.302 -5.402 -2.047 194 H1 G 21 H1 G 21 -10.210 0.854 -1.208 195 H21 G 21 H21 G 21 -10.782 1.825 -3.121 196 H22 G 21 H22 G 21 -10.955 0.913 -4.602 197 H5' A 22 H5' A 22 -7.548 -2.960 -7.711 198 H5'' A 22 H5'' A 22 -5.977 -2.850 -8.531 199 H4' A 22 H4' A 22 -6.697 -0.620 -7.865 200 H3' A 22 H3' A 22 -4.416 -1.658 -6.147 201 H2' A 22 H2'' A 22 -4.443 0.434 -5.044 202 HO2' A 22 H2' A 22 -6.024 1.568 -7.124 203 H1' A 22 H1' A 22 -7.245 0.945 -5.393 204 H8 A 22 H8 A 22 -6.454 -2.397 -3.752 205 H61 A 22 H61 A 22 -6.462 0.586 1.633 206 H62 A 22 H62 A 22 -6.444 -0.964 0.824 207 H2 A 22 H2 A 22 -6.566 3.671 -1.662 208 H5' U 23 H5' U 23 -3.205 2.121 -8.162 209 H5'' U 23 H5'' U 23 -1.863 1.826 -9.285 210 H4' U 23 H4' U 23 -1.536 3.930 -8.082 211 H3' U 23 H3' U 23 0.407 1.748 -7.249 212 H2' U 23 H2'' U 23 1.342 3.234 -5.745 213 HO2' U 23 H2' U 23 1.638 4.727 -7.643 214 H1' U 23 H1' U 23 -0.971 4.974 -5.558 215 H3 U 23 H3 U 23 0.503 4.481 -1.312 216 H5 U 23 H5 U 23 -0.950 0.690 -2.272 217 H6 U 23 H6 U 23 -1.323 1.481 -4.547 218 H5' C 24 H5' C 24 3.363 5.131 -9.350 219 H5'' C 24 H5'' C 24 1.733 5.317 -10.010 220 H4' C 24 H4' C 24 3.126 6.792 -11.232 221 H3' C 24 H3' C 24 1.861 4.695 -12.638 222 H2' C 24 H2'' C 24 3.742 3.611 -13.389 223 HO2' C 24 H2' C 24 3.182 4.378 -15.354 224 H1' C 24 H1' C 24 5.386 6.133 -13.383 225 H41 C 24 H41 C 24 9.765 1.463 -13.685 226 H42 C 24 H42 C 24 9.312 0.948 -12.077 227 H5 C 24 H5 C 24 7.476 1.898 -10.858 228 H6 C 24 H6 C 24 5.683 3.564 -10.891 229 H5' U 25 H5' U 25 -0.115 4.511 -12.309 230 H5'' U 25 H5'' U 25 -1.613 5.417 -12.469 231 H4' U 25 H4' U 25 -1.234 4.072 -10.310 232 H3' U 25 H3' U 25 -2.699 6.420 -10.694 233 H2' U 25 H2'' U 25 -1.179 7.906 -9.711 234 HO2' U 25 H2' U 25 -2.537 6.648 -7.547 235 H1' U 25 H1' U 25 -0.320 5.822 -7.708 236 H3 U 25 H3 U 25 2.651 9.626 -9.993 237 H5 U 25 H5 U 25 3.289 8.081 -6.099 238 H6 U 25 H6 U 25 1.461 6.568 -6.487 239 H5' G 26 H5' G 26 -5.760 7.813 -7.439 240 H5'' G 26 H5'' G 26 -4.216 8.531 -7.936 241 H4' G 26 H4' G 26 -4.917 9.515 -5.851 242 H3' G 26 H3' G 26 -2.568 7.639 -5.463 243 H2' G 26 H2'' G 26 -2.519 8.246 -3.222 244 HO2' G 26 H2' G 26 -4.378 10.352 -3.669 245 H1' G 26 H1' G 26 -5.257 8.501 -2.895 246 H8 G 26 H8 G 26 -5.108 5.153 -4.429 247 H1 G 26 H1 G 26 -2.732 5.379 1.523 248 H21 G 26 H21 G 26 -2.307 7.522 2.069 249 H22 G 26 H22 G 26 -2.623 8.841 0.965 250 H5' A 27 H5' A 27 -1.798 11.239 -3.551 251 H5'' A 27 H5'' A 27 -0.210 11.937 -3.905 252 H4' A 27 H4' A 27 -0.678 11.983 -1.485 253 H3' A 27 H3' A 27 1.538 9.980 -2.102 254 H2' A 27 H2'' A 27 1.736 9.741 0.227 255 HO2' A 27 H2' A 27 0.128 12.064 0.528 256 H1' A 27 H1' A 27 -0.980 9.944 0.803 257 H8 A 27 H8 A 27 -0.264 7.523 -2.058 258 H61 A 27 H61 A 27 0.630 3.351 2.456 259 H62 A 27 H62 A 27 0.453 3.610 0.726 260 H2 A 27 H2 A 27 0.342 7.405 4.321 261 H5' G 28 H5' G 28 2.786 12.619 0.849 262 H5'' G 28 H5'' G 28 4.502 13.063 0.799 263 H4' G 28 H4' G 28 3.903 12.158 2.990 264 H3' G 28 H3' G 28 5.703 10.215 1.495 265 H2' G 28 H2'' G 28 5.639 8.879 3.411 266 HO2' G 28 H2' G 28 5.245 11.337 4.660 267 H1' G 28 H1' G 28 3.030 9.551 4.198 268 H8 G 28 H8 G 28 3.331 8.442 0.565 269 H1 G 28 H1 G 28 3.197 3.634 4.775 270 H21 G 28 H21 G 28 3.419 4.397 6.836 271 H22 G 28 H22 G 28 3.575 6.105 7.179 272 H5' C 29 H5' C 29 7.068 10.643 5.311 273 H5'' C 29 H5'' C 29 8.812 10.921 5.490 274 H4' C 29 H4' C 29 8.084 9.033 6.881 275 H3' C 29 H3' C 29 9.843 8.155 4.563 276 H2' C 29 H2'' C 29 9.675 5.974 5.397 277 HO2' C 29 H2' C 29 8.773 5.846 7.731 278 H1' C 29 H1' C 29 7.102 6.274 6.608 279 H41 C 29 H41 C 29 6.392 2.159 1.842 280 H42 C 29 H42 C 29 6.263 3.497 0.717 281 H5 C 29 H5 C 29 6.627 5.781 1.339 282 H6 C 29 H6 C 29 7.191 7.295 3.174 283 H5' C 30 H5' C 30 11.238 6.220 7.829 284 H5'' C 30 H5'' C 30 12.891 6.625 8.344 285 H4' C 30 H4' C 30 12.601 4.182 8.201 286 H3' C 30 H3' C 30 14.418 5.398 6.102 287 H2' C 30 H2'' C 30 14.804 3.302 5.225 288 HO2' C 30 H2' C 30 15.122 1.563 6.418 289 H1' C 30 H1' C 30 12.324 2.114 6.046 290 H41 C 30 H41 C 30 12.505 1.989 -0.253 291 H42 C 30 H42 C 30 11.791 3.585 -0.297 292 H5 C 30 H5 C 30 11.469 4.939 1.674 293 H6 C 30 H6 C 30 11.710 5.020 4.097 294 H5' U 31 H5' U 31 16.185 2.364 7.572 295 H5'' U 31 H5'' U 31 17.858 2.471 8.153 296 H4' U 31 H4' U 31 17.549 0.727 6.412 297 H3' U 31 H3' U 31 19.709 2.441 6.475 298 H2' U 31 H2'' U 31 19.034 3.943 4.779 299 HO2' U 31 H2' U 31 19.638 2.702 2.645 300 H1' U 31 H1' U 31 17.715 1.810 3.140 301 H3 U 31 H3 U 31 15.499 4.830 0.651 302 H5 U 31 H5 U 31 15.767 6.736 4.400 303 H6 U 31 H6 U 31 16.965 4.800 5.229 304 H5' G 32 H5' G 32 17.759 -1.001 4.797 305 H5'' G 32 H5'' G 32 17.538 -1.971 6.261 306 H4' G 32 H4' G 32 16.810 -3.272 4.321 307 H3' G 32 H3' G 32 18.654 -4.283 6.118 308 H2' G 32 H2'' G 32 20.586 -3.941 4.888 309 HO2' G 32 H2' G 32 20.857 -5.861 3.418 310 H1' G 32 H1' G 32 19.306 -4.544 2.246 311 H8 G 32 H8 G 32 20.173 -0.984 3.231 312 H1 G 32 H1 G 32 24.853 -4.018 0.029 313 H21 G 32 H21 G 32 24.370 -6.185 -0.145 314 H22 G 32 H22 G 32 22.905 -6.873 0.521 315 H5' G 33 H5' G 33 16.261 -3.722 6.360 316 H5'' G 33 H5'' G 33 14.897 -4.179 7.373 317 H4' G 33 H4' G 33 14.183 -2.401 5.890 318 H3' G 33 H3' G 33 12.792 -4.767 6.087 319 H2' G 33 H2'' G 33 13.538 -5.763 4.106 320 HO2' G 33 H2' G 33 11.174 -4.698 3.925 321 H1' G 33 H1' G 33 13.489 -3.178 2.577 322 H8 G 33 H8 G 33 15.644 -6.308 3.537 323 H1 G 33 H1 G 33 16.384 -4.153 -2.452 324 H21 G 33 H21 G 33 15.209 -2.288 -2.744 325 H22 G 33 H22 G 33 14.243 -1.580 -1.469 326 H5' G 34 H5' G 34 8.117 -4.781 4.638 327 H5'' G 34 H5'' G 34 9.332 -5.990 5.067 328 H4' G 34 H4' G 34 8.142 -6.730 3.126 329 H3' G 34 H3' G 34 10.923 -6.484 3.092 330 H2' G 34 H2'' G 34 11.075 -4.600 1.733 331 HO2' G 34 H2' G 34 10.411 -6.378 -0.386 332 H1' G 34 H1' G 34 8.669 -5.408 0.119 333 H8 G 34 H8 G 34 7.650 -3.309 -0.999 334 H1 G 34 H1 G 34 11.547 0.581 2.124 335 H21 G 34 H21 G 34 12.657 -0.511 3.698 336 H22 G 34 H22 G 34 12.452 -2.227 3.966 337 H5' A 35 H5' A 35 8.673 -11.081 2.880 338 H5'' A 35 H5'' A 35 8.248 -11.284 1.166 339 H4' A 35 H4' A 35 8.206 -8.700 2.706 340 H3' A 35 H3' A 35 6.180 -10.552 2.828 341 H2' A 35 H2'' A 35 5.631 -10.551 0.549 342 HO2' A 35 H2' A 35 3.884 -9.480 1.885 343 H1' A 35 H1' A 35 6.102 -7.587 0.310 344 H8 A 35 H8 A 35 6.707 -6.999 -2.194 345 H61 A 35 H61 A 35 6.691 -12.111 -5.744 346 H62 A 35 H62 A 35 6.789 -10.364 -5.753 347 H2 A 35 H2 A 35 6.307 -13.349 -1.460 348 H5' G 36 H5' G 36 6.396 -7.878 5.788 349 H5'' G 36 H5'' G 36 4.966 -8.011 6.829 350 H4' G 36 H4' G 36 6.408 -6.255 7.662 351 H3' G 36 H3' G 36 3.929 -5.093 6.359 352 H2' G 36 H2'' G 36 4.711 -2.989 6.918 353 HO2' G 36 H2' G 36 6.016 -4.367 9.002 354 H1' G 36 H1' G 36 7.466 -3.619 6.851 355 H8 G 36 H8 G 36 5.737 -4.467 3.560 356 H1 G 36 H1 G 36 7.393 1.713 4.161 357 H21 G 36 H21 G 36 7.954 2.168 6.234 358 H22 G 36 H22 G 36 7.950 0.952 7.490 359 H5' C 37 H5' C 37 4.425 -3.395 10.133 360 H5'' C 37 H5'' C 37 2.921 -3.290 11.068 361 H4' C 37 H4' C 37 4.047 -1.115 11.054 362 H3' C 37 H3' C 37 1.550 -1.086 9.312 363 H2' C 37 H2'' C 37 1.949 1.236 9.089 364 HO2' C 37 H2' C 37 4.004 1.813 10.623 365 H1' C 37 H1' C 37 4.744 1.047 8.969 366 H41 C 37 H41 C 37 2.799 1.963 3.004 367 H42 C 37 H42 C 37 2.482 0.255 2.821 368 H5 C 37 H5 C 37 2.650 -1.317 4.663 369 H6 C 37 H6 C 37 3.106 -1.545 7.060 370 H5' U 38 H5' U 38 1.041 2.119 11.922 371 H5'' U 38 H5'' U 38 -0.601 2.250 12.585 372 H4' U 38 H4' U 38 0.032 4.340 11.481 373 H3' U 38 H3' U 38 -2.048 2.854 9.824 374 H2' U 38 H2'' U 38 -2.019 4.709 8.390 375 HO2' U 38 H2' U 38 -0.467 6.377 9.984 376 H1' U 38 H1' U 38 0.714 5.323 8.720 377 H3 U 38 H3 U 38 0.125 4.559 4.274 378 H5 U 38 H5 U 38 0.160 0.728 6.057 379 H6 U 38 H6 U 38 0.051 1.813 8.218 380 H5' C 39 H5' C 39 -3.379 6.715 10.376 381 H5'' C 39 H5'' C 39 -5.124 6.909 10.635 382 H4' C 39 H4' C 39 -4.330 8.241 8.712 383 H3' C 39 H3' C 39 -6.116 5.949 7.796 384 H2' C 39 H2'' C 39 -5.836 6.785 5.631 385 HO2' C 39 H2' C 39 -4.916 9.030 5.423 386 H1' C 39 H1' C 39 -3.248 7.853 6.044 387 H41 C 39 H41 C 39 -2.686 3.090 1.917 388 H42 C 39 H42 C 39 -2.739 1.897 3.196 389 H5 C 39 H5 C 39 -3.151 2.484 5.527 390 H6 C 39 H6 C 39 -3.673 4.361 7.052 391 H5' U 40 H5' U 40 -7.284 9.402 5.971 392 H5'' U 40 H5'' U 40 -9.029 9.725 5.902 393 H4' U 40 H4' U 40 -8.019 9.828 3.652 394 H3' U 40 H3' U 40 -9.851 7.426 3.988 395 H2' U 40 H2'' U 40 -9.457 6.943 1.721 396 HO2' U 40 H2' U 40 -8.637 9.655 1.569 397 H1' U 40 H1' U 40 -6.787 7.700 1.677 398 H3 U 40 H3 U 40 -6.889 3.170 0.818 399 H5 U 40 H5 U 40 -7.386 3.547 4.993 400 H6 U 40 H6 U 40 -7.621 5.929 4.697 401 H5' C 41 H5' C 41 -10.958 9.496 0.514 402 H5'' C 41 H5'' C 41 -12.706 9.718 0.292 403 H4' C 41 H4' C 41 -11.723 8.669 -1.693 404 H3' C 41 H3' C 41 -13.422 6.693 -0.120 405 H2' C 41 H2'' C 41 -13.015 5.177 -1.892 406 HO2' C 41 H2' C 41 -13.105 7.329 -3.387 407 H1' C 41 H1' C 41 -10.378 5.911 -2.313 408 H41 C 41 H41 C 41 -10.115 0.641 1.250 409 H42 C 41 H42 C 41 -10.348 1.603 2.693 410 H5 C 41 H5 C 41 -10.872 3.939 2.639 411 H6 C 41 H6 C 41 -11.245 5.886 1.200 412 H5' U 42 H5' U 42 -14.754 6.431 -4.026 413 H5'' U 42 H5'' U 42 -16.520 6.386 -4.203 414 H4' U 42 H4' U 42 -15.504 4.436 -5.291 415 H3' U 42 H3' U 42 -16.981 3.643 -2.750 416 H2' U 42 H2'' U 42 -16.494 1.415 -3.332 417 HO2' U 42 H2' U 42 -15.752 0.854 -5.437 418 H1' U 42 H1' U 42 -13.958 1.915 -4.371 419 H3 U 42 H3 U 42 -13.317 -0.784 -0.738 420 H5 U 42 H5 U 42 -13.897 3.074 0.848 421 H6 U 42 H6 U 42 -14.580 3.803 -1.357 422 H5' G 43 H5' G 43 -18.365 1.172 -5.789 423 H5'' G 43 H5'' G 43 -20.118 0.892 -5.779 424 H4' G 43 H4' G 43 -18.917 -1.239 -5.750 425 H3' G 43 H3' G 43 -20.232 -0.696 -3.063 426 H2' G 43 H2'' G 43 -19.476 -2.817 -2.409 427 HO2' G 43 H2' G 43 -19.539 -3.309 -5.160 428 H1' G 43 H1' G 43 -17.071 -2.751 -3.814 429 H8 G 43 H8 G 43 -17.654 0.440 -1.812 430 H1 G 43 H1 G 43 -15.345 -4.403 1.668 431 H21 G 43 H21 G 43 -15.479 -6.310 0.504 432 H22 G 43 H22 G 43 -16.113 -6.363 -1.126 433 H5' C 44 H5' C 44 -21.340 -4.516 -4.272 434 H5'' C 44 H5'' C 44 -23.041 -4.928 -3.981 435 H4' C 44 H4' C 44 -21.567 -6.609 -2.975 436 H3' C 44 H3' C 44 -22.921 -4.915 -0.842 437 H2' C 44 H2'' C 44 -21.900 -6.332 0.733 438 HO2' C 44 H2' C 44 -21.877 -8.140 -1.412 439 H1' C 44 H1' C 44 -19.527 -6.718 -0.689 440 H41 C 44 H41 C 44 -18.165 -2.585 3.950 441 H42 C 44 H42 C 44 -18.794 -1.271 2.984 442 H5 C 44 H5 C 44 -19.908 -1.610 0.866 443 H6 C 44 H6 C 44 -20.698 -3.291 -0.730 444 H5' C 45 H5' C 45 -23.465 -8.870 0.157 445 H5'' C 45 H5'' C 45 -25.123 -9.289 0.636 446 H4' C 45 H4' C 45 -23.542 -10.010 2.362 447 H3' C 45 H3' C 45 -25.222 -7.629 3.200 448 HO3' C 45 H3T C 45 -25.487 -10.361 3.013 449 H2' C 45 H2'' C 45 -24.204 -7.710 5.287 450 HO2' C 45 H2' C 45 -23.000 -9.690 5.900 451 H1' C 45 H1' C 45 -21.714 -8.762 4.375 452 H41 C 45 H41 C 45 -20.558 -2.677 6.069 453 H42 C 45 H42 C 45 -21.271 -2.156 4.568 454 H5 C 45 H5 C 45 -22.335 -3.619 3.016 455 H6 C 45 H6 C 45 -23.005 -5.921 2.554 Start of MODEL 4 1 H1 DAB 1 H DAB 1 -3.338 -8.787 -0.835 2 HA DAB 1 HA DAB 1 -4.211 -7.604 -3.418 3 HB2 DAB 1 HB2 DAB 1 -3.650 -6.359 -0.720 4 HB3 DAB 1 HB3 DAB 1 -3.909 -5.416 -2.189 5 HG2 DAB 1 HG2 DAB 1 -5.853 -7.329 -0.870 6 HG3 DAB 1 HG3 DAB 1 -6.034 -5.585 -1.062 7 HD1 DAB 1 HD1 DAB 1 -5.718 -6.231 -3.577 8 HD2 DAB 1 HD2 DAB 1 -7.241 -6.297 -2.831 9 HD3 DAB 1 HD3 DAB 1 -6.336 -7.718 -3.039 10 H VAL 2 H VAL 2 -2.776 -6.480 -4.699 11 HA VAL 2 HA VAL 2 0.062 -6.538 -3.877 12 HB VAL 2 HB VAL 2 -0.187 -8.334 -5.417 13 HG11 VAL 2 HG11 VAL 2 -2.383 -7.411 -6.335 14 HG12 VAL 2 HG12 VAL 2 -1.298 -8.113 -7.535 15 HG13 VAL 2 HG13 VAL 2 -1.409 -6.361 -7.363 16 HG21 VAL 2 HG21 VAL 2 1.677 -6.521 -5.686 17 HG22 VAL 2 HG22 VAL 2 0.791 -6.064 -7.141 18 HG23 VAL 2 HG23 VAL 2 1.449 -7.692 -6.985 19 H ARG 3 H ARG 3 1.098 -4.616 -3.948 20 HA ARG 3 HA ARG 3 0.137 -2.634 -5.919 21 HB2 ARG 3 HB2 ARG 3 0.752 -1.683 -3.162 22 HB3 ARG 3 HB3 ARG 3 -0.311 -1.011 -4.370 23 HG2 ARG 3 HG2 ARG 3 -1.036 -3.628 -3.041 24 HG3 ARG 3 HG3 ARG 3 -1.314 -2.103 -2.222 25 HD2 ARG 3 HD2 ARG 3 -2.314 -2.619 -5.022 26 HD3 ARG 3 HD3 ARG 3 -3.264 -3.001 -3.591 27 HE ARG 3 HE ARG 3 -2.675 -0.362 -4.623 28 HH11 ARG 3 HH11 ARG 3 -3.589 1.356 -3.475 29 HH12 ARG 3 HH12 ARG 3 -4.317 1.069 -1.930 30 HH21 ARG 3 HH21 ARG 3 -3.579 -2.320 -1.929 31 HH22 ARG 3 HH22 ARG 3 -4.312 -1.020 -1.050 32 H THR 4 H THR 4 1.657 -0.957 -6.343 33 HA THR 4 HA THR 4 4.309 -1.366 -5.239 34 HB THR 4 HB THR 4 3.697 -1.588 -8.187 35 HG1 THR 4 HG1 THR 4 5.193 -3.521 -7.524 36 HG21 THR 4 HG21 THR 4 6.233 -0.988 -6.725 37 HG22 THR 4 HG22 THR 4 5.667 -0.391 -8.284 38 HG23 THR 4 HG23 THR 4 6.309 -2.027 -8.148 39 H ARG 5 H ARG 5 4.953 0.557 -4.599 40 HA ARG 5 HA ARG 5 3.952 2.938 -5.862 41 HB2 ARG 5 HB2 ARG 5 5.852 3.366 -3.668 42 HB3 ARG 5 HB3 ARG 5 4.202 3.929 -3.847 43 HG2 ARG 5 HG2 ARG 5 4.708 1.038 -3.134 44 HG3 ARG 5 HG3 ARG 5 4.750 2.285 -1.898 45 HD2 ARG 5 HD2 ARG 5 2.439 1.769 -3.784 46 HD3 ARG 5 HD3 ARG 5 2.482 1.369 -2.072 47 HE ARG 5 HE ARG 5 2.020 3.935 -3.204 48 HH11 ARG 5 HH11 ARG 5 1.830 5.697 -1.769 49 HH12 ARG 5 HH12 ARG 5 2.350 5.520 -0.115 50 HH21 ARG 5 HH21 ARG 5 3.271 2.193 -0.526 51 HH22 ARG 5 HH22 ARG 5 3.139 3.516 0.585 52 H LYS 6 H LYS 6 5.811 4.765 -5.702 53 HA LYS 6 HA LYS 6 7.348 4.606 -7.904 54 HB2 LYS 6 HB2 LYS 6 7.110 6.581 -6.373 55 HB3 LYS 6 HB3 LYS 6 8.364 5.855 -5.365 56 HG2 LYS 6 HG2 LYS 6 10.042 6.266 -6.898 57 HG3 LYS 6 HG3 LYS 6 8.980 6.093 -8.291 58 HD2 LYS 6 HD2 LYS 6 8.773 8.416 -6.366 59 HD3 LYS 6 HD3 LYS 6 9.841 8.452 -7.761 60 HE2 LYS 6 HE2 LYS 6 8.118 8.760 -9.234 61 HE3 LYS 6 HE1 LYS 6 7.042 7.658 -8.373 62 HZ1 LYS 6 HZ1 LYS 6 7.547 9.912 -6.777 63 HZ2 LYS 6 HZ2 LYS 6 6.071 9.371 -7.424 64 HZ3 LYS 6 HZ3 LYS 6 7.057 10.428 -8.318 65 H GLY 7 H GLY 7 7.977 2.336 -7.963 66 HA2 GLY 7 HA2 GLY 7 9.755 0.872 -8.142 67 HA3 GLY 7 HA3 GLY 7 10.742 2.001 -7.219 68 H ARG 8 H ARG 8 7.960 1.614 -5.488 69 HA ARG 8 HA ARG 8 9.242 -0.418 -3.777 70 HB2 ARG 8 HB2 ARG 8 7.244 1.771 -3.269 71 HB3 ARG 8 HB3 ARG 8 7.472 0.479 -2.105 72 HG2 ARG 8 HG2 ARG 8 9.748 1.144 -1.675 73 HG3 ARG 8 HG3 ARG 8 9.791 2.163 -3.117 74 HD2 ARG 8 HD2 ARG 8 7.720 2.799 -1.074 75 HD3 ARG 8 HD3 ARG 8 9.396 3.160 -0.668 76 HE ARG 8 HE ARG 8 7.781 4.572 -2.570 77 HH11 ARG 8 HH11 ARG 8 8.809 6.258 -3.693 78 HH12 ARG 8 HH12 ARG 8 10.538 6.334 -3.743 79 HH21 ARG 8 HH21 ARG 8 10.987 3.477 -1.833 80 HH22 ARG 8 HH22 ARG 8 11.770 4.762 -2.692 81 H ARG 9 H ARG 9 8.593 -2.277 -4.762 82 HA ARG 9 HA ARG 9 5.860 -2.831 -5.429 83 HB2 ARG 9 HB2 ARG 9 6.648 -5.062 -5.973 84 HB3 ARG 9 HB3 ARG 9 7.767 -3.872 -6.640 85 HG2 ARG 9 HG2 ARG 9 8.933 -4.218 -4.244 86 HG3 ARG 9 HG3 ARG 9 8.150 -5.792 -4.389 87 HD2 ARG 9 HD2 ARG 9 9.185 -6.063 -6.634 88 HD3 ARG 9 HD3 ARG 9 10.030 -4.535 -6.403 89 HE ARG 9 HE ARG 9 10.678 -7.073 -5.168 90 HH11 ARG 9 HH11 ARG 9 12.546 -7.070 -3.881 91 HH12 ARG 9 HH12 ARG 9 13.253 -5.566 -3.391 92 HH21 ARG 9 HH21 ARG 9 10.889 -3.621 -5.018 93 HH22 ARG 9 HH22 ARG 9 12.315 -3.613 -4.035 94 H ILE 10 H ILE 10 4.434 -2.875 -3.714 95 HA ILE 10 HA ILE 10 5.253 -4.519 -1.382 96 HB ILE 10 HB ILE 10 4.225 -2.988 0.059 97 HG12 ILE 10 HG12 ILE 10 2.772 -1.948 -2.388 98 HG13 ILE 10 HG13 ILE 10 2.044 -2.841 -1.052 99 HG21 ILE 10 HG21 ILE 10 4.800 -0.806 -1.863 100 HG22 ILE 10 HG22 ILE 10 6.108 -1.991 -1.735 101 HG23 ILE 10 HG23 ILE 10 5.538 -1.151 -0.296 102 HD11 ILE 10 HD11 ILE 10 1.657 -0.389 -0.914 103 HD12 ILE 10 HD12 ILE 10 3.397 -0.143 -0.777 104 HD13 ILE 10 HD13 ILE 10 2.529 -1.027 0.476 105 H 4J5 11 H NOR 11 4.034 -6.197 -0.875 106 HA 4J5 11 HA NOR 11 1.393 -6.353 -2.184 107 HD 4J5 11 HD NOR 11 2.578 -10.804 -2.475 108 HB2 4J5 11 HB2 NOR 11 2.994 -8.018 -3.049 109 HB3 4J5 11 HB3 NOR 11 3.248 -8.588 -1.398 110 HG2 4J5 11 HG2 NOR 11 0.868 -9.238 -1.251 111 HG3 4J5 11 HG3 NOR 11 0.606 -8.655 -2.891 112 HH11 4J5 11 HH11 NOR 11 -0.511 -9.694 -3.594 113 HH12 4J5 11 HH12 NOR 11 -0.786 -11.082 -4.591 114 HH21 4J5 11 HH21 NOR 11 2.232 -12.586 -3.785 115 HH22 4J5 11 HH22 NOR 11 0.767 -12.720 -4.697 116 H ILE 12 H ILE 12 -0.343 -6.706 -0.986 117 HA ILE 12 HA ILE 12 0.043 -7.127 1.905 118 HB ILE 12 HB ILE 12 -2.627 -6.254 1.418 119 HG12 ILE 12 HG12 ILE 12 -1.557 -5.481 -0.846 120 HG13 ILE 12 HG13 ILE 12 -2.449 -4.285 0.092 121 HG21 ILE 12 HG21 ILE 12 -0.147 -4.940 2.545 122 HG22 ILE 12 HG22 ILE 12 -1.479 -5.690 3.427 123 HG23 ILE 12 HG23 ILE 12 -1.732 -4.163 2.581 124 HD11 ILE 12 HD11 ILE 12 0.506 -4.637 0.517 125 HD12 ILE 12 HD12 ILE 12 -0.506 -3.229 0.855 126 HD13 ILE 12 HD13 ILE 12 -0.094 -3.645 -0.812 127 HA DPR 13 HA DPR 13 -2.052 -10.961 1.992 128 HB2 DPR 13 HB2 DPR 13 -0.535 -12.708 1.722 129 HB3 DPR 13 HB3 DPR 13 0.194 -11.985 0.267 130 HG2 DPR 13 HG2 DPR 13 0.605 -11.308 3.131 131 HG3 DPR 13 HG3 DPR 13 1.772 -11.393 1.801 132 HD2 DPR 13 HD2 DPR 13 0.649 -9.055 2.743 133 HD3 DPR 13 HD3 DPR 13 1.338 -9.260 1.119 134 HA PRO 14 HA PRO 14 -3.957 -11.965 -1.954 135 HB2 PRO 14 HB2 PRO 14 -6.423 -10.899 -1.518 136 HB3 PRO 14 HB3 PRO 14 -5.874 -12.400 -0.754 137 HG2 PRO 14 HG2 PRO 14 -6.019 -9.648 0.375 138 HG3 PRO 14 HG3 PRO 14 -6.397 -11.205 1.134 139 HD2 PRO 14 HD2 PRO 14 -4.048 -9.863 1.548 140 HD3 PRO 14 HD3 PRO 14 -4.210 -11.623 1.683 141 H5' G 17 H5' G 17 -16.214 -2.328 15.866 142 H5'' G 17 H5'' G 17 -14.575 -2.966 15.639 143 H4' G 17 H4' G 17 -16.156 -4.767 15.339 144 H3' G 17 H3' G 17 -14.938 -3.865 12.717 145 H2' G 17 H2'' G 17 -16.118 -5.559 11.644 146 HO2' G 17 H2' G 17 -16.518 -6.688 14.234 147 H1' G 17 H1' G 17 -18.432 -5.376 13.157 148 H8 G 17 H8 G 17 -17.368 -1.865 12.319 149 H1 G 17 H1 G 17 -20.247 -4.900 7.453 150 H21 G 17 H21 G 17 -20.436 -7.033 7.883 151 H22 G 17 H22 G 17 -19.857 -7.746 9.371 152 HO5' G 17 H5T G 17 -15.663 -2.102 13.307 153 H5' G 18 H5' G 18 -14.704 -7.933 12.722 154 H5'' G 18 H5'' G 18 -13.136 -8.619 12.262 155 H4' G 18 H4' G 18 -14.914 -9.590 10.898 156 H3' G 18 H3' G 18 -13.211 -7.674 9.264 157 H2' G 18 H2'' G 18 -14.475 -8.317 7.413 158 HO2' G 18 H2' G 18 -15.326 -10.538 8.984 159 H1' G 18 H1' G 18 -16.900 -8.555 8.753 160 H8 G 18 H8 G 18 -15.145 -5.309 9.683 161 H1 G 18 H1 G 18 -18.250 -5.029 4.090 162 H21 G 18 H21 G 18 -18.864 -7.060 3.453 163 H22 G 18 H22 G 18 -18.514 -8.487 4.402 164 H5' C 19 H5' C 19 -13.532 -11.165 7.118 165 H5'' C 19 H5'' C 19 -12.038 -11.761 6.375 166 H4' C 19 H4' C 19 -13.814 -11.580 4.698 167 H3' C 19 H3' C 19 -11.725 -9.407 4.289 168 H2' C 19 H2'' C 19 -12.920 -8.796 2.373 169 HO2' C 19 H2' C 19 -14.050 -11.398 2.561 170 H1' C 19 H1' C 19 -15.461 -9.317 3.426 171 H41 C 19 H41 C 19 -14.765 -2.987 3.577 172 H42 C 19 H42 C 19 -13.890 -3.107 5.088 173 H5 C 19 H5 C 19 -13.258 -5.218 6.076 174 H6 C 19 H6 C 19 -13.278 -7.645 5.793 175 H5' A 20 H5' A 20 -12.376 -11.095 0.635 176 H5'' A 20 H5'' A 20 -10.925 -11.508 -0.293 177 H4' A 20 H4' A 20 -12.419 -10.177 -1.672 178 H3' A 20 H3' A 20 -10.021 -8.536 -0.790 179 H2' A 20 H2'' A 20 -10.840 -6.814 -2.122 180 HO2' A 20 H2' A 20 -12.082 -7.099 -3.870 181 H1' A 20 H1' A 20 -13.544 -7.249 -1.627 182 H8 A 20 H8 A 20 -11.514 -7.302 1.599 183 H61 A 20 H61 A 20 -12.249 -1.168 1.660 184 H62 A 20 H62 A 20 -11.738 -2.567 2.578 185 H2 A 20 H2 A 20 -13.574 -2.671 -2.330 186 H5' G 21 H5' G 21 -10.389 -8.126 -4.928 187 H5'' G 21 H5'' G 21 -8.867 -8.217 -5.829 188 H4' G 21 H4' G 21 -10.064 -6.180 -6.429 189 H3' G 21 H3' G 21 -7.650 -5.532 -4.699 190 H2' G 21 H2'' G 21 -8.165 -3.279 -5.015 191 HO2' G 21 H2' G 21 -9.524 -2.555 -6.689 192 H1' G 21 H1' G 21 -10.957 -3.612 -5.058 193 H8 G 21 H8 G 21 -9.312 -5.363 -2.099 194 H1 G 21 H1 G 21 -10.219 0.887 -1.209 195 H21 G 21 H21 G 21 -10.784 1.875 -3.102 196 H22 G 21 H22 G 21 -10.940 0.988 -4.600 197 H5' A 22 H5' A 22 -7.508 -2.875 -7.715 198 H5'' A 22 H5'' A 22 -5.954 -2.766 -8.559 199 H4' A 22 H4' A 22 -6.655 -0.536 -7.884 200 H3' A 22 H3' A 22 -4.375 -1.584 -6.196 201 H2' A 22 H2'' A 22 -4.376 0.434 -5.035 202 HO2' A 22 H2' A 22 -4.454 2.238 -6.109 203 H1' A 22 H1' A 22 -7.177 1.017 -5.367 204 H8 A 22 H8 A 22 -6.494 -2.379 -3.801 205 H61 A 22 H61 A 22 -6.463 0.565 1.626 206 H62 A 22 H62 A 22 -6.476 -0.981 0.809 207 H2 A 22 H2 A 22 -6.411 3.657 -1.672 208 H5' U 23 H5' U 23 -3.124 2.366 -7.909 209 H5'' U 23 H5'' U 23 -1.948 1.949 -9.167 210 H4' U 23 H4' U 23 -1.270 4.026 -8.146 211 H3' U 23 H3' U 23 0.396 1.620 -7.824 212 H2' U 23 H2'' U 23 1.207 2.132 -5.751 213 HO2' U 23 H2' U 23 2.302 4.142 -5.477 214 H1' U 23 H1' U 23 -0.093 4.784 -5.520 215 H3 U 23 H3 U 23 0.031 4.366 -1.133 216 H5 U 23 H5 U 23 -1.335 0.611 -2.312 217 H6 U 23 H6 U 23 -1.098 1.319 -4.616 218 H5' C 24 H5' C 24 3.961 4.795 -7.229 219 H5'' C 24 H5'' C 24 2.388 5.040 -7.985 220 H4' C 24 H4' C 24 3.761 6.909 -8.536 221 H3' C 24 H3' C 24 2.709 5.305 -10.617 222 H2' C 24 H2'' C 24 4.760 4.616 -11.514 223 HO2' C 24 H2' C 24 4.011 6.202 -13.043 224 H1' C 24 H1' C 24 6.067 7.155 -10.520 225 H41 C 24 H41 C 24 11.413 3.816 -11.368 226 H42 C 24 H42 C 24 10.586 2.304 -11.065 227 H5 C 24 H5 C 24 8.244 2.175 -10.579 228 H6 C 24 H6 C 24 6.179 3.432 -10.221 229 H5' U 25 H5' U 25 1.066 5.310 -11.977 230 H5'' U 25 H5'' U 25 -0.568 5.832 -12.394 231 H4' U 25 H4' U 25 -0.491 4.441 -10.334 232 H3' U 25 H3' U 25 -1.975 6.806 -10.567 233 H2' U 25 H2'' U 25 -0.688 8.150 -9.158 234 HO2' U 25 H2' U 25 -1.998 8.295 -7.515 235 H1' U 25 H1' U 25 0.053 5.795 -7.448 236 H3 U 25 H3 U 25 3.027 9.989 -8.819 237 H5 U 25 H5 U 25 3.520 7.797 -5.233 238 H6 U 25 H6 U 25 1.753 6.326 -5.975 239 H5' G 26 H5' G 26 -5.518 7.690 -7.676 240 H5'' G 26 H5'' G 26 -4.036 8.530 -8.170 241 H4' G 26 H4' G 26 -4.797 9.438 -6.068 242 H3' G 26 H3' G 26 -2.341 7.705 -5.630 243 H2' G 26 H2'' G 26 -2.403 8.282 -3.401 244 HO2' G 26 H2' G 26 -3.587 10.117 -2.652 245 H1' G 26 H1' G 26 -5.196 8.515 -3.203 246 H8 G 26 H8 G 26 -4.847 5.144 -4.573 247 H1 G 26 H1 G 26 -2.743 5.476 1.485 248 H21 G 26 H21 G 26 -2.416 7.614 2.042 249 H22 G 26 H22 G 26 -2.735 8.933 0.940 250 H5' A 27 H5' A 27 -1.801 11.222 -3.585 251 H5'' A 27 H5'' A 27 -0.276 12.054 -3.902 252 H4' A 27 H4' A 27 -0.715 12.018 -1.508 253 H3' A 27 H3' A 27 1.513 10.054 -2.163 254 H2' A 27 H2'' A 27 1.708 9.710 0.115 255 HO2' A 27 H2' A 27 0.354 12.188 0.396 256 H1' A 27 H1' A 27 -1.022 9.994 0.734 257 H8 A 27 H8 A 27 -0.453 7.507 -2.097 258 H61 A 27 H61 A 27 0.259 3.309 2.397 259 H62 A 27 H62 A 27 0.082 3.559 0.669 260 H2 A 27 H2 A 27 0.205 7.353 4.279 261 H5' G 28 H5' G 28 2.761 12.552 0.945 262 H5'' G 28 H5'' G 28 4.453 13.064 0.889 263 H4' G 28 H4' G 28 3.935 12.115 3.073 264 H3' G 28 H3' G 28 5.688 10.182 1.508 265 H2' G 28 H2'' G 28 5.694 8.839 3.399 266 HO2' G 28 H2' G 28 4.940 11.199 4.816 267 H1' G 28 H1' G 28 3.097 9.531 4.270 268 H8 G 28 H8 G 28 3.224 8.374 0.640 269 H1 G 28 H1 G 28 3.115 3.595 4.871 270 H21 G 28 H21 G 28 3.456 4.338 6.899 271 H22 G 28 H22 G 28 3.718 6.033 7.237 272 H5' C 29 H5' C 29 7.182 10.474 5.250 273 H5'' C 29 H5'' C 29 8.917 10.807 5.382 274 H4' C 29 H4' C 29 8.316 8.939 6.831 275 H3' C 29 H3' C 29 9.905 8.016 4.418 276 H2' C 29 H2'' C 29 9.789 5.852 5.247 277 HO2' C 29 H2' C 29 9.079 6.795 7.842 278 H1' C 29 H1' C 29 7.297 6.173 6.665 279 H41 C 29 H41 C 29 6.063 2.050 2.012 280 H42 C 29 H42 C 29 5.888 3.382 0.886 281 H5 C 29 H5 C 29 6.393 5.661 1.453 282 H6 C 29 H6 C 29 7.166 7.170 3.217 283 H5' C 30 H5' C 30 11.551 6.138 7.598 284 H5'' C 30 H5'' C 30 13.241 6.551 7.946 285 H4' C 30 H4' C 30 12.950 4.130 8.061 286 H3' C 30 H3' C 30 14.482 5.036 5.599 287 H2' C 30 H2'' C 30 14.782 2.778 5.067 288 HO2' C 30 H2' C 30 14.467 1.102 6.656 289 H1' C 30 H1' C 30 12.300 1.860 6.143 290 H41 C 30 H41 C 30 11.738 1.426 -0.143 291 H42 C 30 H42 C 30 11.183 3.085 -0.186 292 H5 C 30 H5 C 30 11.197 4.529 1.724 293 H6 C 30 H6 C 30 11.710 4.702 4.087 294 H5' U 31 H5' U 31 16.520 2.084 6.828 295 H5'' U 31 H5'' U 31 18.161 2.396 7.431 296 H4' U 31 H4' U 31 17.863 0.470 5.721 297 H3' U 31 H3' U 31 20.068 2.100 6.078 298 H2' U 31 H2'' U 31 19.762 3.557 4.297 299 HO2' U 31 H2' U 31 20.785 1.191 3.058 300 H1' U 31 H1' U 31 18.550 1.486 2.505 301 H3 U 31 H3 U 31 18.100 5.183 -0.121 302 H5 U 31 H5 U 31 15.644 5.926 3.221 303 H6 U 31 H6 U 31 16.573 3.941 4.260 304 H5' G 32 H5' G 32 19.141 0.481 7.585 305 H5'' G 32 H5'' G 32 19.440 -0.737 8.830 306 H4' G 32 H4' G 32 17.053 -0.505 8.527 307 H3' G 32 H3' G 32 18.216 -3.015 8.300 308 H2' G 32 H2'' G 32 18.109 -3.279 5.988 309 HO2' G 32 H2' G 32 16.628 -4.838 6.736 310 H1' G 32 H1' G 32 15.531 -1.783 5.720 311 H8 G 32 H8 G 32 19.275 -1.847 4.580 312 H1 G 32 H1 G 32 14.975 -0.734 -0.042 313 H21 G 32 H21 G 32 12.941 -0.654 0.819 314 H22 G 32 H22 G 32 12.638 -0.873 2.524 315 H5' G 33 H5' G 33 13.756 -2.299 7.600 316 H5'' G 33 H5'' G 33 12.917 -3.248 8.837 317 H4' G 33 H4' G 33 11.399 -2.896 7.007 318 H3' G 33 H3' G 33 12.022 -5.494 7.842 319 H2' G 33 H2'' G 33 13.222 -6.180 5.951 320 HO2' G 33 H2' G 33 11.871 -7.355 4.734 321 H1' G 33 H1' G 33 11.593 -4.451 4.080 322 H8 G 33 H8 G 33 15.246 -5.283 5.270 323 H1 G 33 H1 G 33 14.458 -4.397 -1.030 324 H21 G 33 H21 G 33 12.351 -3.847 -1.461 325 H22 G 33 H22 G 33 11.143 -3.702 -0.203 326 H5' G 34 H5' G 34 8.931 -4.906 4.521 327 H5'' G 34 H5'' G 34 7.439 -5.775 4.927 328 H4' G 34 H4' G 34 7.700 -7.276 3.188 329 H3' G 34 H3' G 34 10.462 -6.941 3.309 330 H2' G 34 H2'' G 34 10.575 -4.980 2.025 331 HO2' G 34 H2' G 34 11.096 -7.121 0.640 332 H1' G 34 H1' G 34 8.251 -5.856 0.315 333 H8 G 34 H8 G 34 7.164 -3.777 -0.783 334 H1 G 34 H1 G 34 10.871 0.217 2.457 335 H21 G 34 H21 G 34 12.006 -0.904 4.024 336 H22 G 34 H22 G 34 11.854 -2.632 4.232 337 H5' A 35 H5' A 35 7.982 -11.450 2.779 338 H5'' A 35 H5'' A 35 7.689 -11.579 1.028 339 H4' A 35 H4' A 35 7.750 -8.975 2.509 340 H3' A 35 H3' A 35 5.673 -10.719 2.913 341 H2' A 35 H2'' A 35 4.879 -10.760 0.703 342 HO2' A 35 H2' A 35 3.538 -8.513 0.640 343 H1' A 35 H1' A 35 5.504 -7.848 0.332 344 H8 A 35 H8 A 35 5.726 -7.317 -2.195 345 H61 A 35 H61 A 35 5.141 -12.459 -5.647 346 H62 A 35 H62 A 35 5.249 -10.714 -5.683 347 H2 A 35 H2 A 35 5.384 -13.657 -1.330 348 H5' G 36 H5' G 36 6.109 -7.975 5.809 349 H5'' G 36 H5'' G 36 4.701 -8.118 6.879 350 H4' G 36 H4' G 36 6.135 -6.393 7.727 351 H3' G 36 H3' G 36 3.704 -5.170 6.399 352 H2' G 36 H2'' G 36 4.509 -3.091 6.932 353 HO2' G 36 H2' G 36 5.608 -4.444 9.124 354 H1' G 36 H1' G 36 7.267 -3.776 6.960 355 H8 G 36 H8 G 36 5.686 -4.612 3.606 356 H1 G 36 H1 G 36 7.291 1.593 4.265 357 H21 G 36 H21 G 36 7.772 2.050 6.343 358 H22 G 36 H22 G 36 7.733 0.840 7.603 359 H5' C 37 H5' C 37 4.248 -3.433 10.142 360 H5'' C 37 H5'' C 37 2.771 -3.357 11.114 361 H4' C 37 H4' C 37 3.879 -1.186 11.141 362 H3' C 37 H3' C 37 1.400 -1.110 9.387 363 H2' C 37 H2'' C 37 1.809 1.195 9.177 364 HO2' C 37 H2' C 37 2.603 2.337 10.772 365 H1' C 37 H1' C 37 4.616 0.990 9.079 366 H41 C 37 H41 C 37 2.762 1.893 3.069 367 H42 C 37 H42 C 37 2.411 0.189 2.901 368 H5 C 37 H5 C 37 2.518 -1.364 4.764 369 H6 C 37 H6 C 37 2.951 -1.587 7.167 370 H5' U 38 H5' U 38 0.950 2.117 11.900 371 H5'' U 38 H5'' U 38 -0.665 2.281 12.612 372 H4' U 38 H4' U 38 -0.039 4.359 11.512 373 H3' U 38 H3' U 38 -2.128 2.901 9.850 374 H2' U 38 H2'' U 38 -2.103 4.752 8.435 375 HO2' U 38 H2' U 38 -0.567 6.347 10.174 376 H1' U 38 H1' U 38 0.642 5.348 8.754 377 H3 U 38 H3 U 38 0.049 4.598 4.299 378 H5 U 38 H5 U 38 0.073 0.761 6.073 379 H6 U 38 H6 U 38 -0.039 1.838 8.237 380 H5' C 39 H5' C 39 -3.375 6.771 10.277 381 H5'' C 39 H5'' C 39 -5.094 7.029 10.607 382 H4' C 39 H4' C 39 -4.342 8.346 8.666 383 H3' C 39 H3' C 39 -6.206 6.108 7.792 384 H2' C 39 H2'' C 39 -5.946 6.867 5.625 385 HO2' C 39 H2' C 39 -5.477 9.361 6.873 386 H1' C 39 H1' C 39 -3.341 7.959 5.981 387 H41 C 39 H41 C 39 -2.680 3.102 1.925 388 H42 C 39 H42 C 39 -2.714 1.961 3.251 389 H5 C 39 H5 C 39 -3.156 2.608 5.539 390 H6 C 39 H6 C 39 -3.734 4.496 7.023 391 H5' U 40 H5' U 40 -7.246 9.457 5.888 392 H5'' U 40 H5'' U 40 -8.963 9.889 5.830 393 H4' U 40 H4' U 40 -7.982 9.874 3.573 394 H3' U 40 H3' U 40 -9.886 7.545 3.994 395 H2' U 40 H2'' U 40 -9.518 6.982 1.755 396 HO2' U 40 H2' U 40 -8.714 8.433 0.234 397 H1' U 40 H1' U 40 -6.832 7.750 1.674 398 H3 U 40 H3 U 40 -6.884 3.239 0.755 399 H5 U 40 H5 U 40 -7.381 3.552 4.937 400 H6 U 40 H6 U 40 -7.676 5.928 4.674 401 H5' C 41 H5' C 41 -10.935 9.521 0.474 402 H5'' C 41 H5'' C 41 -12.666 9.819 0.247 403 H4' C 41 H4' C 41 -11.744 8.699 -1.715 404 H3' C 41 H3' C 41 -13.460 6.785 -0.093 405 H2' C 41 H2'' C 41 -13.095 5.221 -1.809 406 HO2' C 41 H2' C 41 -11.985 7.274 -3.437 407 H1' C 41 H1' C 41 -10.454 5.963 -2.318 408 H41 C 41 H41 C 41 -10.106 0.672 1.237 409 H42 C 41 H42 C 41 -10.323 1.625 2.688 410 H5 C 41 H5 C 41 -10.832 3.966 2.648 411 H6 C 41 H6 C 41 -11.257 5.914 1.219 412 H5' U 42 H5' U 42 -14.766 6.443 -3.968 413 H5'' U 42 H5'' U 42 -16.524 6.440 -4.185 414 H4' U 42 H4' U 42 -15.548 4.472 -5.251 415 H3' U 42 H3' U 42 -17.028 3.697 -2.712 416 H2' U 42 H2'' U 42 -16.552 1.477 -3.263 417 HO2' U 42 H2' U 42 -16.348 2.495 -5.873 418 H1' U 42 H1' U 42 -14.022 1.965 -4.356 419 H3 U 42 H3 U 42 -13.333 -0.768 -0.749 420 H5 U 42 H5 U 42 -13.930 3.065 0.886 421 H6 U 42 H6 U 42 -14.626 3.818 -1.306 422 H5' G 43 H5' G 43 -18.378 1.198 -5.720 423 H5'' G 43 H5'' G 43 -20.127 0.925 -5.751 424 H4' G 43 H4' G 43 -18.948 -1.208 -5.719 425 H3' G 43 H3' G 43 -20.267 -0.672 -3.036 426 H2' G 43 H2'' G 43 -19.526 -2.775 -2.379 427 HO2' G 43 H2' G 43 -18.470 -4.022 -4.365 428 H1' G 43 H1' G 43 -17.119 -2.731 -3.801 429 H8 G 43 H8 G 43 -17.683 0.448 -1.766 430 H1 G 43 H1 G 43 -15.331 -4.400 1.675 431 H21 G 43 H21 G 43 -15.453 -6.300 0.504 432 H22 G 43 H22 G 43 -16.106 -6.355 -1.118 433 H5' C 44 H5' C 44 -21.316 -4.496 -4.218 434 H5'' C 44 H5'' C 44 -23.015 -4.934 -3.983 435 H4' C 44 H4' C 44 -21.554 -6.610 -2.962 436 H3' C 44 H3' C 44 -22.936 -4.943 -0.831 437 H2' C 44 H2'' C 44 -21.920 -6.328 0.746 438 HO2' C 44 H2' C 44 -21.829 -8.166 -1.387 439 H1' C 44 H1' C 44 -19.537 -6.726 -0.683 440 H41 C 44 H41 C 44 -18.132 -2.602 3.980 441 H42 C 44 H42 C 44 -18.770 -1.284 3.023 442 H5 C 44 H5 C 44 -19.898 -1.618 0.914 443 H6 C 44 H6 C 44 -20.701 -3.288 -0.686 444 H5' C 45 H5' C 45 -23.414 -8.888 0.208 445 H5'' C 45 H5'' C 45 -25.060 -9.358 0.669 446 H4' C 45 H4' C 45 -23.479 -10.071 2.388 447 H3' C 45 H3' C 45 -25.190 -7.733 3.269 448 HO3' C 45 H3T C 45 -26.450 -9.499 3.089 449 H2' C 45 H2'' C 45 -24.139 -7.795 5.336 450 HO2' C 45 H2' C 45 -24.455 -9.959 5.856 451 H1' C 45 H1' C 45 -21.642 -8.805 4.388 452 H41 C 45 H41 C 45 -20.525 -2.734 6.117 453 H42 C 45 H42 C 45 -21.259 -2.196 4.629 454 H5 C 45 H5 C 45 -22.349 -3.652 3.075 455 H6 C 45 H6 C 45 -23.008 -5.958 2.595 Start of MODEL 5 1 H1 DAB 1 H DAB 1 -2.968 -8.710 -0.836 2 HA DAB 1 HA DAB 1 -3.258 -9.419 -3.638 3 HB2 DAB 1 HB2 DAB 1 -3.972 -6.863 -3.990 4 HB3 DAB 1 HB3 DAB 1 -5.155 -8.159 -3.811 5 HG2 DAB 1 HG2 DAB 1 -5.695 -7.562 -1.640 6 HG3 DAB 1 HG3 DAB 1 -4.111 -6.859 -1.321 7 HD1 DAB 1 HD1 DAB 1 -5.989 -5.243 -1.559 8 HD2 DAB 1 HD2 DAB 1 -6.064 -5.658 -3.203 9 HD3 DAB 1 HD3 DAB 1 -4.657 -4.947 -2.568 10 H VAL 2 H VAL 2 -2.212 -7.566 -5.016 11 HA VAL 2 HA VAL 2 0.252 -6.803 -3.668 12 HB VAL 2 HB VAL 2 1.481 -7.127 -5.598 13 HG11 VAL 2 HG11 VAL 2 1.098 -9.403 -6.130 14 HG12 VAL 2 HG12 VAL 2 -0.640 -9.259 -5.868 15 HG13 VAL 2 HG13 VAL 2 0.466 -9.215 -4.493 16 HG21 VAL 2 HG21 VAL 2 -1.210 -6.921 -6.949 17 HG22 VAL 2 HG22 VAL 2 0.146 -7.690 -7.774 18 HG23 VAL 2 HG23 VAL 2 0.261 -6.004 -7.274 19 H ARG 3 H ARG 3 1.416 -4.805 -4.445 20 HA ARG 3 HA ARG 3 -0.263 -2.916 -5.897 21 HB2 ARG 3 HB2 ARG 3 -0.178 -3.003 -2.995 22 HB3 ARG 3 HB3 ARG 3 0.419 -1.458 -3.577 23 HG2 ARG 3 HG2 ARG 3 -1.597 -0.897 -4.588 24 HG3 ARG 3 HG3 ARG 3 -2.116 -2.568 -4.752 25 HD2 ARG 3 HD2 ARG 3 -3.229 -2.479 -2.797 26 HD3 ARG 3 HD3 ARG 3 -1.796 -1.934 -1.941 27 HE ARG 3 HE ARG 3 -3.175 0.114 -3.481 28 HH11 ARG 3 HH11 ARG 3 -3.877 1.871 -2.230 29 HH12 ARG 3 HH12 ARG 3 -3.964 1.721 -0.507 30 HH21 ARG 3 HH21 ARG 3 -2.770 -1.539 -0.476 31 HH22 ARG 3 HH22 ARG 3 -3.332 -0.215 0.490 32 H THR 4 H THR 4 0.893 -1.210 -6.739 33 HA THR 4 HA THR 4 3.782 -1.400 -6.384 34 HB THR 4 HB THR 4 2.414 -0.057 -8.674 35 HG1 THR 4 HG1 THR 4 3.381 -2.686 -8.776 36 HG21 THR 4 HG21 THR 4 5.165 -1.190 -8.192 37 HG22 THR 4 HG22 THR 4 4.733 0.476 -8.573 38 HG23 THR 4 HG23 THR 4 4.579 -0.776 -9.801 39 H ARG 5 H ARG 5 5.039 0.609 -6.381 40 HA ARG 5 HA ARG 5 3.533 2.977 -5.587 41 HB2 ARG 5 HB2 ARG 5 6.030 1.985 -4.225 42 HB3 ARG 5 HB3 ARG 5 5.067 3.385 -3.769 43 HG2 ARG 5 HG2 ARG 5 3.977 0.564 -3.816 44 HG3 ARG 5 HG3 ARG 5 4.676 1.313 -2.379 45 HD2 ARG 5 HD2 ARG 5 2.189 2.116 -3.878 46 HD3 ARG 5 HD3 ARG 5 2.345 1.702 -2.180 47 HE ARG 5 HE ARG 5 3.244 4.199 -3.437 48 HH11 ARG 5 HH11 ARG 5 3.349 5.940 -2.024 49 HH12 ARG 5 HH12 ARG 5 3.144 5.698 -0.309 50 HH21 ARG 5 HH21 ARG 5 2.714 2.264 -0.605 51 HH22 ARG 5 HH22 ARG 5 2.785 3.609 0.479 52 H LYS 6 H LYS 6 4.236 4.734 -6.626 53 HA LYS 6 HA LYS 6 5.956 4.698 -8.756 54 HB2 LYS 6 HB2 LYS 6 4.322 6.539 -7.781 55 HB3 LYS 6 HB3 LYS 6 5.810 7.150 -7.092 56 HG2 LYS 6 HG2 LYS 6 6.578 6.671 -9.699 57 HG3 LYS 6 HG3 LYS 6 4.891 7.109 -9.894 58 HD2 LYS 6 HD2 LYS 6 6.299 9.112 -10.043 59 HD3 LYS 6 HD3 LYS 6 5.228 9.197 -8.657 60 HE2 LYS 6 HE2 LYS 6 7.850 7.979 -8.049 61 HE3 LYS 6 HE1 LYS 6 7.930 9.668 -8.552 62 HZ1 LYS 6 HZ1 LYS 6 7.482 9.988 -6.377 63 HZ2 LYS 6 HZ2 LYS 6 6.697 8.494 -6.186 64 HZ3 LYS 6 HZ3 LYS 6 5.882 9.800 -6.900 65 H GLY 7 H GLY 7 7.673 3.310 -7.927 66 HA2 GLY 7 HA2 GLY 7 10.122 4.326 -7.734 67 HA3 GLY 7 HA3 GLY 7 9.572 4.546 -6.080 68 H ARG 8 H ARG 8 7.962 2.209 -5.971 69 HA ARG 8 HA ARG 8 9.697 -0.043 -6.517 70 HB2 ARG 8 HB2 ARG 8 9.468 -0.704 -3.991 71 HB3 ARG 8 HB3 ARG 8 10.761 0.359 -4.511 72 HG2 ARG 8 HG2 ARG 8 9.981 1.562 -2.705 73 HG3 ARG 8 HG3 ARG 8 8.971 2.265 -3.955 74 HD2 ARG 8 HD2 ARG 8 7.329 0.299 -3.394 75 HD3 ARG 8 HD3 ARG 8 8.239 0.217 -1.891 76 HE ARG 8 HE ARG 8 6.246 2.108 -2.460 77 HH11 ARG 8 HH11 ARG 8 6.106 4.019 -1.250 78 HH12 ARG 8 HH12 ARG 8 7.471 4.561 -0.331 79 HH21 ARG 8 HH21 ARG 8 9.477 1.887 -1.229 80 HH22 ARG 8 HH22 ARG 8 9.382 3.361 -0.334 81 H ARG 9 H ARG 9 8.674 -2.113 -5.878 82 HA ARG 9 HA ARG 9 5.785 -1.932 -6.125 83 HB2 ARG 9 HB2 ARG 9 6.096 -4.408 -6.867 84 HB3 ARG 9 HB3 ARG 9 6.445 -3.108 -8.006 85 HG2 ARG 9 HG2 ARG 9 8.785 -3.276 -7.651 86 HG3 ARG 9 HG3 ARG 9 8.573 -4.251 -6.194 87 HD2 ARG 9 HD2 ARG 9 7.699 -6.105 -7.510 88 HD3 ARG 9 HD3 ARG 9 7.759 -5.131 -8.977 89 HE ARG 9 HE ARG 9 10.317 -5.352 -7.668 90 HH11 ARG 9 HH11 ARG 9 11.888 -6.561 -8.769 91 HH12 ARG 9 HH12 ARG 9 11.416 -7.607 -10.067 92 HH21 ARG 9 HH21 ARG 9 8.045 -6.834 -9.813 93 HH22 ARG 9 HH22 ARG 9 9.239 -7.761 -10.659 94 H ILE 10 H ILE 10 4.473 -2.697 -4.590 95 HA ILE 10 HA ILE 10 5.688 -4.473 -2.577 96 HB ILE 10 HB ILE 10 4.858 -3.247 -0.799 97 HG12 ILE 10 HG12 ILE 10 3.090 -1.786 -2.782 98 HG13 ILE 10 HG13 ILE 10 2.538 -2.924 -1.540 99 HG21 ILE 10 HG21 ILE 10 5.196 -0.882 -2.603 100 HG22 ILE 10 HG22 ILE 10 6.555 -2.004 -2.447 101 HG23 ILE 10 HG23 ILE 10 5.904 -1.208 -1.014 102 HD11 ILE 10 HD11 ILE 10 2.301 -1.043 -0.259 103 HD12 ILE 10 HD12 ILE 10 3.421 -0.125 -1.262 104 HD13 ILE 10 HD13 ILE 10 4.049 -1.222 -0.026 105 H 4J5 11 H NOR 11 3.571 -4.905 -0.954 106 HA 4J5 11 HA NOR 11 1.182 -5.504 -2.316 107 HD 4J5 11 HD NOR 11 5.073 -6.693 -2.547 108 HB2 4J5 11 HB2 NOR 11 1.466 -8.039 -2.280 109 HB3 4J5 11 HB3 NOR 11 2.473 -7.209 -3.468 110 HG2 4J5 11 HG2 NOR 11 3.280 -8.254 -0.755 111 HG3 4J5 11 HG3 NOR 11 3.839 -8.818 -2.326 112 HH11 4J5 11 HH11 NOR 11 3.581 -7.260 0.557 113 HH12 4J5 11 HH12 NOR 11 4.614 -6.151 1.389 114 HH21 4J5 11 HH21 NOR 11 6.512 -5.375 -1.380 115 HH22 4J5 11 HH22 NOR 11 6.249 -5.095 0.307 116 H ILE 12 H ILE 12 -0.390 -6.581 -1.057 117 HA ILE 12 HA ILE 12 0.331 -6.806 1.802 118 HB ILE 12 HB ILE 12 -2.420 -6.132 1.654 119 HG12 ILE 12 HG12 ILE 12 -1.684 -5.255 -0.708 120 HG13 ILE 12 HG13 ILE 12 -2.584 -4.175 0.346 121 HG21 ILE 12 HG21 ILE 12 0.098 -4.669 2.487 122 HG22 ILE 12 HG22 ILE 12 -1.084 -5.489 3.513 123 HG23 ILE 12 HG23 ILE 12 -1.513 -3.975 2.714 124 HD11 ILE 12 HD11 ILE 12 -0.777 -2.814 0.737 125 HD12 ILE 12 HD12 ILE 12 -0.298 -3.430 -0.837 126 HD13 ILE 12 HD13 ILE 12 0.384 -4.132 0.618 127 HA DPR 13 HA DPR 13 -1.186 -10.870 2.405 128 HB2 DPR 13 HB2 DPR 13 0.276 -12.389 1.421 129 HB3 DPR 13 HB3 DPR 13 0.309 -11.511 -0.123 130 HG2 DPR 13 HG2 DPR 13 1.784 -10.968 2.394 131 HG3 DPR 13 HG3 DPR 13 2.308 -10.796 0.711 132 HD2 DPR 13 HD2 DPR 13 1.447 -8.700 2.319 133 HD3 DPR 13 HD3 DPR 13 1.475 -8.669 0.545 134 HA PRO 14 HA PRO 14 -4.858 -11.582 0.068 135 HB2 PRO 14 HB2 PRO 14 -5.971 -8.943 0.140 136 HB3 PRO 14 HB3 PRO 14 -6.335 -10.298 1.221 137 HG2 PRO 14 HG2 PRO 14 -4.471 -8.027 1.601 138 HG3 PRO 14 HG3 PRO 14 -5.419 -8.931 2.795 139 HD2 PRO 14 HD2 PRO 14 -2.781 -9.315 2.620 140 HD3 PRO 14 HD3 PRO 14 -3.874 -10.697 2.881 141 H5' G 17 H5' G 17 -16.525 -2.355 15.889 142 H5'' G 17 H5'' G 17 -14.897 -3.026 15.686 143 H4' G 17 H4' G 17 -16.502 -4.788 15.336 144 H3' G 17 H3' G 17 -15.225 -3.868 12.737 145 H2' G 17 H2'' G 17 -16.405 -5.578 11.645 146 HO2' G 17 H2' G 17 -17.504 -6.792 13.873 147 H1' G 17 H1' G 17 -18.740 -5.363 13.117 148 H8 G 17 H8 G 17 -17.634 -1.866 12.310 149 H1 G 17 H1 G 17 -20.413 -4.869 7.376 150 H21 G 17 H21 G 17 -20.620 -7.006 7.795 151 H22 G 17 H22 G 17 -20.085 -7.727 9.297 152 HO5' G 17 H5T G 17 -15.759 -0.928 14.547 153 H5' G 18 H5' G 18 -14.982 -7.960 12.772 154 H5'' G 18 H5'' G 18 -13.409 -8.638 12.311 155 H4' G 18 H4' G 18 -15.186 -9.593 10.930 156 H3' G 18 H3' G 18 -13.443 -7.673 9.328 157 H2' G 18 H2'' G 18 -14.694 -8.313 7.440 158 HO2' G 18 H2' G 18 -16.080 -10.165 7.508 159 H1' G 18 H1' G 18 -17.134 -8.529 8.741 160 H8 G 18 H8 G 18 -15.366 -5.304 9.714 161 H1 G 18 H1 G 18 -18.352 -5.000 4.059 162 H21 G 18 H21 G 18 -18.959 -7.034 3.404 163 H22 G 18 H22 G 18 -18.643 -8.459 4.369 164 H5' C 19 H5' C 19 -13.738 -11.200 7.185 165 H5'' C 19 H5'' C 19 -12.234 -11.782 6.445 166 H4' C 19 H4' C 19 -14.006 -11.584 4.767 167 H3' C 19 H3' C 19 -11.880 -9.429 4.379 168 H2' C 19 H2'' C 19 -13.062 -8.799 2.444 169 HO2' C 19 H2' C 19 -14.950 -10.387 1.918 170 H1' C 19 H1' C 19 -15.609 -9.292 3.467 171 H41 C 19 H41 C 19 -14.853 -2.986 3.602 172 H42 C 19 H42 C 19 -14.003 -3.106 5.126 173 H5 C 19 H5 C 19 -13.410 -5.215 6.143 174 H6 C 19 H6 C 19 -13.437 -7.646 5.866 175 H5' A 20 H5' A 20 -12.514 -11.156 0.702 176 H5'' A 20 H5'' A 20 -11.038 -11.549 -0.199 177 H4' A 20 H4' A 20 -12.527 -10.204 -1.586 178 H3' A 20 H3' A 20 -10.103 -8.602 -0.681 179 H2' A 20 H2'' A 20 -10.898 -6.850 -2.023 180 HO2' A 20 H2' A 20 -12.451 -8.854 -3.306 181 H1' A 20 H1' A 20 -13.607 -7.258 -1.551 182 H8 A 20 H8 A 20 -11.605 -7.326 1.692 183 H61 A 20 H61 A 20 -12.289 -1.183 1.718 184 H62 A 20 H62 A 20 -11.812 -2.582 2.652 185 H2 A 20 H2 A 20 -13.539 -2.693 -2.293 186 H5' G 21 H5' G 21 -10.427 -8.204 -4.839 187 H5'' G 21 H5'' G 21 -8.891 -8.295 -5.720 188 H4' G 21 H4' G 21 -10.078 -6.251 -6.306 189 H3' G 21 H3' G 21 -7.657 -5.639 -4.561 190 H2' G 21 H2'' G 21 -8.153 -3.368 -4.871 191 HO2' G 21 H2' G 21 -10.065 -3.909 -6.887 192 H1' G 21 H1' G 21 -10.944 -3.676 -4.946 193 H8 G 21 H8 G 21 -9.310 -5.437 -1.983 194 H1 G 21 H1 G 21 -10.181 0.824 -1.133 195 H21 G 21 H21 G 21 -10.721 1.806 -3.042 196 H22 G 21 H22 G 21 -10.882 0.904 -4.530 197 H5' A 22 H5' A 22 -7.493 -3.005 -7.656 198 H5'' A 22 H5'' A 22 -5.919 -2.884 -8.465 199 H4' A 22 H4' A 22 -6.667 -0.661 -7.803 200 H3' A 22 H3' A 22 -4.364 -1.685 -6.090 201 H2' A 22 H2'' A 22 -4.396 0.366 -4.954 202 HO2' A 22 H2' A 22 -5.351 2.245 -5.926 203 H1' A 22 H1' A 22 -7.188 0.897 -5.309 204 H8 A 22 H8 A 22 -6.465 -2.455 -3.706 205 H61 A 22 H61 A 22 -6.441 0.498 1.688 206 H62 A 22 H62 A 22 -6.441 -1.051 0.875 207 H2 A 22 H2 A 22 -6.455 3.596 -1.610 208 H5' U 23 H5' U 23 -3.225 2.161 -8.092 209 H5'' U 23 H5'' U 23 -1.906 1.860 -9.242 210 H4' U 23 H4' U 23 -1.605 4.015 -8.111 211 H3' U 23 H3' U 23 0.394 1.893 -7.285 212 H2' U 23 H2'' U 23 1.342 3.358 -5.794 213 HO2' U 23 H2' U 23 1.927 4.914 -7.321 214 H1' U 23 H1' U 23 -0.967 5.083 -5.527 215 H3 U 23 H3 U 23 0.467 4.462 -1.286 216 H5 U 23 H5 U 23 -1.005 0.717 -2.383 217 H6 U 23 H6 U 23 -1.251 1.539 -4.653 218 H5' C 24 H5' C 24 1.200 4.121 -11.518 219 H5'' C 24 H5'' C 24 2.733 3.476 -12.136 220 H4' C 24 H4' C 24 2.014 6.349 -11.544 221 H3' C 24 H3' C 24 2.039 4.936 -13.991 222 H2' C 24 H2'' C 24 4.349 4.858 -14.303 223 HO2' C 24 H2' C 24 4.689 6.354 -15.777 224 H1' C 24 H1' C 24 4.773 7.456 -12.825 225 H41 C 24 H41 C 24 10.653 4.930 -12.968 226 H42 C 24 H42 C 24 10.125 3.666 -11.879 227 H5 C 24 H5 C 24 7.840 3.399 -11.174 228 H6 C 24 H6 C 24 5.573 4.301 -11.341 229 H5' U 25 H5' U 25 -1.459 7.822 -11.943 230 H5'' U 25 H5'' U 25 0.294 7.875 -11.673 231 H4' U 25 H4' U 25 -0.864 5.326 -10.853 232 H3' U 25 H3' U 25 -2.595 7.409 -10.103 233 H2' U 25 H2'' U 25 -1.121 8.538 -8.669 234 HO2' U 25 H2' U 25 -1.687 6.325 -6.971 235 H1' U 25 H1' U 25 0.153 5.956 -7.804 236 H3 U 25 H3 U 25 2.585 10.622 -8.689 237 H5 U 25 H5 U 25 3.507 8.020 -5.495 238 H6 U 25 H6 U 25 1.811 6.508 -6.330 239 H5' G 26 H5' G 26 -5.686 7.637 -7.529 240 H5'' G 26 H5'' G 26 -4.176 8.436 -7.997 241 H4' G 26 H4' G 26 -4.977 9.394 -5.934 242 H3' G 26 H3' G 26 -2.553 7.617 -5.471 243 H2' G 26 H2'' G 26 -2.595 8.248 -3.227 244 HO2' G 26 H2' G 26 -4.541 10.220 -3.437 245 H1' G 26 H1' G 26 -5.374 8.451 -3.000 246 H8 G 26 H8 G 26 -5.156 5.093 -4.406 247 H1 G 26 H1 G 26 -2.727 5.390 1.525 248 H21 G 26 H21 G 26 -2.313 7.539 2.058 249 H22 G 26 H22 G 26 -2.661 8.848 0.951 250 H5' A 27 H5' A 27 -1.971 11.201 -3.509 251 H5'' A 27 H5'' A 27 -0.427 11.989 -3.859 252 H4' A 27 H4' A 27 -0.885 11.998 -1.452 253 H3' A 27 H3' A 27 1.397 10.076 -2.106 254 H2' A 27 H2'' A 27 1.636 9.803 0.217 255 HO2' A 27 H2' A 27 0.046 12.142 0.487 256 H1' A 27 H1' A 27 -1.077 9.924 0.828 257 H8 A 27 H8 A 27 -0.366 7.522 -2.064 258 H61 A 27 H61 A 27 0.615 3.318 2.388 259 H62 A 27 H62 A 27 0.416 3.599 0.666 260 H2 A 27 H2 A 27 0.306 7.347 4.306 261 H5' G 28 H5' G 28 2.634 12.702 0.929 262 H5'' G 28 H5'' G 28 4.324 13.221 0.823 263 H4' G 28 H4' G 28 3.853 12.286 3.025 264 H3' G 28 H3' G 28 5.621 10.375 1.432 265 H2' G 28 H2'' G 28 5.697 9.053 3.361 266 HO2' G 28 H2' G 28 4.857 11.393 4.754 267 H1' G 28 H1' G 28 3.101 9.652 4.253 268 H8 G 28 H8 G 28 3.265 8.553 0.604 269 H1 G 28 H1 G 28 3.348 3.713 4.776 270 H21 G 28 H21 G 28 3.676 4.456 6.821 271 H22 G 28 H22 G 28 3.849 6.159 7.175 272 H5' C 29 H5' C 29 7.305 10.808 5.154 273 H5'' C 29 H5'' C 29 9.062 11.028 5.173 274 H4' C 29 H4' C 29 8.405 9.188 6.651 275 H3' C 29 H3' C 29 9.845 8.180 4.167 276 H2' C 29 H2'' C 29 9.657 6.023 5.026 277 HO2' C 29 H2' C 29 9.679 5.578 7.172 278 H1' C 29 H1' C 29 7.262 6.493 6.528 279 H41 C 29 H41 C 29 5.614 2.407 1.971 280 H42 C 29 H42 C 29 5.511 3.726 0.822 281 H5 C 29 H5 C 29 6.180 5.979 1.335 282 H6 C 29 H6 C 29 7.123 7.445 3.051 283 H5' C 30 H5' C 30 11.545 6.489 7.477 284 H5'' C 30 H5'' C 30 13.319 6.514 7.535 285 H4' C 30 H4' C 30 12.523 4.250 7.929 286 H3' C 30 H3' C 30 14.115 4.814 5.491 287 H2' C 30 H2'' C 30 13.165 3.188 4.182 288 HO2' C 30 H2' C 30 13.958 1.329 4.733 289 H1' C 30 H1' C 30 11.280 2.137 6.203 290 H41 C 30 H41 C 30 7.334 2.197 1.264 291 H42 C 30 H42 C 30 8.204 3.520 0.522 292 H5 C 30 H5 C 30 10.083 4.576 1.485 293 H6 C 30 H6 C 30 11.616 4.596 3.369 294 H5' U 31 H5' U 31 18.630 2.823 6.381 295 H5'' U 31 H5'' U 31 18.450 4.229 5.311 296 H4' U 31 H4' U 31 19.547 2.484 4.077 297 H3' U 31 H3' U 31 17.213 3.637 3.111 298 H2' U 31 H2'' U 31 15.739 1.864 3.519 299 HO2' U 31 H2' U 31 15.429 1.432 1.476 300 H1' U 31 H1' U 31 17.817 -0.246 3.020 301 H3 U 31 H3 U 31 15.335 -3.473 4.914 302 H5 U 31 H5 U 31 14.203 -0.043 7.088 303 H6 U 31 H6 U 31 15.735 1.250 5.725 304 H5' G 32 H5' G 32 17.226 2.388 -2.029 305 H5'' G 32 H5'' G 32 16.359 3.877 -1.606 306 H4' G 32 H4' G 32 15.235 1.073 -1.331 307 H3' G 32 H3' G 32 15.476 2.464 -3.745 308 H2' G 32 H2'' G 32 14.010 4.217 -3.279 309 HO2' G 32 H2' G 32 12.901 3.028 -4.884 310 H1' G 32 H1' G 32 12.216 2.501 -1.581 311 H8 G 32 H8 G 32 14.363 5.190 -0.013 312 H1 G 32 H1 G 32 8.471 7.205 -1.538 313 H21 G 32 H21 G 32 7.446 5.683 -2.790 314 H22 G 32 H22 G 32 8.207 4.176 -3.247 315 H5' G 33 H5' G 33 15.471 -1.441 -4.243 316 H5'' G 33 H5'' G 33 14.889 -2.503 -5.538 317 H4' G 33 H4' G 33 14.995 -3.807 -3.553 318 H3' G 33 H3' G 33 12.516 -3.580 -4.838 319 H2' G 33 H2'' G 33 11.463 -2.229 -3.246 320 HO2' G 33 H2' G 33 11.250 -4.325 -1.465 321 H1' G 33 H1' G 33 12.975 -3.494 -0.965 322 H8 G 33 H8 G 33 12.029 -0.109 -2.646 323 H1 G 33 H1 G 33 12.014 -0.159 3.764 324 H21 G 33 H21 G 33 12.674 -2.145 4.508 325 H22 G 33 H22 G 33 13.116 -3.451 3.431 326 H5' G 34 H5' G 34 12.948 -5.983 -1.120 327 H5'' G 34 H5'' G 34 12.544 -7.685 -1.393 328 H4' G 34 H4' G 34 12.221 -7.154 0.944 329 H3' G 34 H3' G 34 10.169 -8.312 -0.593 330 H2' G 34 H2'' G 34 8.722 -6.480 -0.679 331 HO2' G 34 H2' G 34 7.771 -6.467 1.755 332 H1' G 34 H1' G 34 9.546 -5.478 2.036 333 H8 G 34 H8 G 34 8.331 -4.491 -1.517 334 H1 G 34 H1 G 34 8.833 0.347 2.617 335 H21 G 34 H21 G 34 9.795 -0.298 4.483 336 H22 G 34 H22 G 34 10.359 -1.936 4.736 337 H5' A 35 H5' A 35 8.950 -11.156 3.015 338 H5'' A 35 H5'' A 35 7.963 -11.855 1.711 339 H4' A 35 H4' A 35 8.271 -8.970 2.509 340 H3' A 35 H3' A 35 6.179 -10.757 3.068 341 H2' A 35 H2'' A 35 5.419 -10.978 0.854 342 HO2' A 35 H2' A 35 4.359 -8.431 1.575 343 H1' A 35 H1' A 35 6.102 -8.106 0.314 344 H8 A 35 H8 A 35 6.638 -7.730 -2.260 345 H61 A 35 H61 A 35 5.432 -12.956 -5.439 346 H62 A 35 H62 A 35 5.804 -11.253 -5.591 347 H2 A 35 H2 A 35 5.288 -13.873 -1.066 348 H5' G 36 H5' G 36 6.734 -7.796 5.666 349 H5'' G 36 H5'' G 36 5.386 -7.985 6.799 350 H4' G 36 H4' G 36 6.786 -6.169 7.537 351 H3' G 36 H3' G 36 4.202 -5.123 6.332 352 H2' G 36 H2'' G 36 4.888 -2.982 6.898 353 HO2' G 36 H2' G 36 6.919 -3.992 8.605 354 H1' G 36 H1' G 36 7.656 -3.452 6.615 355 H8 G 36 H8 G 36 5.977 -4.399 3.334 356 H1 G 36 H1 G 36 6.779 1.920 4.149 357 H21 G 36 H21 G 36 7.355 2.381 6.228 358 H22 G 36 H22 G 36 7.547 1.138 7.444 359 H5' C 37 H5' C 37 4.714 -3.316 10.087 360 H5'' C 37 H5'' C 37 3.250 -3.298 11.083 361 H4' C 37 H4' C 37 4.230 -1.076 11.027 362 H3' C 37 H3' C 37 1.700 -1.176 9.316 363 H2' C 37 H2'' C 37 1.974 1.147 9.055 364 HO2' C 37 H2' C 37 4.019 1.736 10.686 365 H1' C 37 H1' C 37 4.780 1.118 9.010 366 H41 C 37 H41 C 37 2.945 2.044 2.993 367 H42 C 37 H42 C 37 2.690 0.327 2.789 368 H5 C 37 H5 C 37 2.877 -1.258 4.613 369 H6 C 37 H6 C 37 3.295 -1.505 7.017 370 H5' U 38 H5' U 38 1.137 2.042 11.882 371 H5'' U 38 H5'' U 38 -0.499 2.161 12.555 372 H4' U 38 H4' U 38 0.121 4.247 11.447 373 H3' U 38 H3' U 38 -1.965 2.743 9.800 374 H2' U 38 H2'' U 38 -1.950 4.584 8.351 375 HO2' U 38 H2' U 38 -1.668 6.589 9.026 376 H1' U 38 H1' U 38 0.773 5.239 8.703 377 H3 U 38 H3 U 38 0.245 4.502 4.235 378 H5 U 38 H5 U 38 0.268 0.664 5.985 379 H6 U 38 H6 U 38 0.107 1.728 8.156 380 H5' C 39 H5' C 39 -3.275 6.645 10.363 381 H5'' C 39 H5'' C 39 -5.010 6.857 10.660 382 H4' C 39 H4' C 39 -4.246 8.224 8.773 383 H3' C 39 H3' C 39 -6.042 5.953 7.802 384 H2' C 39 H2'' C 39 -5.790 6.849 5.655 385 HO2' C 39 H2' C 39 -4.883 9.082 5.480 386 H1' C 39 H1' C 39 -3.188 7.881 6.049 387 H41 C 39 H41 C 39 -2.665 3.065 1.960 388 H42 C 39 H42 C 39 -2.732 1.897 3.260 389 H5 C 39 H5 C 39 -3.146 2.530 5.589 390 H6 C 39 H6 C 39 -3.675 4.413 7.079 391 H5' U 40 H5' U 40 -7.187 9.368 6.022 392 H5'' U 40 H5'' U 40 -8.925 9.720 5.959 393 H4' U 40 H4' U 40 -7.917 9.799 3.711 394 H3' U 40 H3' U 40 -9.783 7.416 4.068 395 H2' U 40 H2'' U 40 -9.402 6.911 1.802 396 HO2' U 40 H2' U 40 -8.474 8.434 0.365 397 H1' U 40 H1' U 40 -6.727 7.667 1.740 398 H3 U 40 H3 U 40 -6.839 3.143 0.841 399 H5 U 40 H5 U 40 -7.301 3.485 5.028 400 H6 U 40 H6 U 40 -7.560 5.876 4.749 401 H5' C 41 H5' C 41 -10.855 9.477 0.563 402 H5'' C 41 H5'' C 41 -12.595 9.738 0.328 403 H4' C 41 H4' C 41 -11.622 8.667 -1.640 404 H3' C 41 H3' C 41 -13.367 6.726 -0.066 405 H2' C 41 H2'' C 41 -12.967 5.167 -1.777 406 HO2' C 41 H2' C 41 -12.252 7.438 -3.327 407 H1' C 41 H1' C 41 -10.324 5.888 -2.258 408 H41 C 41 H41 C 41 -10.048 0.621 1.323 409 H42 C 41 H42 C 41 -10.278 1.589 2.762 410 H5 C 41 H5 C 41 -10.775 3.928 2.703 411 H6 C 41 H6 C 41 -11.181 5.871 1.264 412 H5' U 42 H5' U 42 -14.620 6.436 -3.996 413 H5'' U 42 H5'' U 42 -16.380 6.419 -4.226 414 H4' U 42 H4' U 42 -15.364 4.457 -5.278 415 H3' U 42 H3' U 42 -16.903 3.683 -2.760 416 H2' U 42 H2'' U 42 -16.426 1.445 -3.324 417 HO2' U 42 H2' U 42 -15.213 1.677 -5.718 418 H1' U 42 H1' U 42 -13.868 1.927 -4.329 419 H3 U 42 H3 U 42 -13.297 -0.785 -0.692 420 H5 U 42 H5 U 42 -13.909 3.063 0.902 421 H6 U 42 H6 U 42 -14.562 3.803 -1.313 422 H5' G 43 H5' G 43 -18.228 1.194 -5.811 423 H5'' G 43 H5'' G 43 -19.980 0.924 -5.851 424 H4' G 43 H4' G 43 -18.796 -1.209 -5.790 425 H3' G 43 H3' G 43 -20.168 -0.643 -3.127 426 H2' G 43 H2'' G 43 -19.450 -2.769 -2.443 427 HO2' G 43 H2' G 43 -18.577 -4.263 -4.070 428 H1' G 43 H1' G 43 -17.014 -2.735 -3.808 429 H8 G 43 H8 G 43 -17.607 0.459 -1.812 430 H1 G 43 H1 G 43 -15.385 -4.401 1.702 431 H21 G 43 H21 G 43 -15.513 -6.306 0.535 432 H22 G 43 H22 G 43 -16.124 -6.351 -1.102 433 H5' C 44 H5' C 44 -21.243 -4.473 -4.340 434 H5'' C 44 H5'' C 44 -22.950 -4.893 -4.104 435 H4' C 44 H4' C 44 -21.501 -6.567 -3.065 436 H3' C 44 H3' C 44 -22.913 -4.879 -0.957 437 H2' C 44 H2'' C 44 -21.931 -6.282 0.644 438 HO2' C 44 H2' C 44 -21.870 -8.110 -1.485 439 H1' C 44 H1' C 44 -19.526 -6.687 -0.728 440 H41 C 44 H41 C 44 -18.211 -2.577 3.951 441 H42 C 44 H42 C 44 -18.824 -1.256 2.981 442 H5 C 44 H5 C 44 -19.897 -1.581 0.840 443 H6 C 44 H6 C 44 -20.686 -3.249 -0.773 444 H5' C 45 H5' C 45 -23.456 -8.847 0.051 445 H5'' C 45 H5'' C 45 -25.118 -9.291 0.485 446 H4' C 45 H4' C 45 -23.566 -10.016 2.230 447 H3' C 45 H3' C 45 -25.280 -7.660 3.059 448 HO3' C 45 H3T C 45 -25.979 -9.993 2.530 449 H2' C 45 H2'' C 45 -24.287 -7.734 5.162 450 HO2' C 45 H2' C 45 -24.682 -10.176 5.170 451 H1' C 45 H1' C 45 -21.781 -8.764 4.275 452 H41 C 45 H41 C 45 -20.654 -2.694 6.028 453 H42 C 45 H42 C 45 -21.359 -2.159 4.526 454 H5 C 45 H5 C 45 -22.395 -3.612 2.947 455 H6 C 45 H6 C 45 -23.064 -5.912 2.460 Start of MODEL 6 1 H1 DAB 1 H DAB 1 -2.879 -9.223 -1.623 2 HA DAB 1 HA DAB 1 -3.618 -8.391 -4.388 3 HB2 DAB 1 HB2 DAB 1 -3.680 -6.686 -1.887 4 HB3 DAB 1 HB3 DAB 1 -4.182 -6.199 -3.507 5 HG2 DAB 1 HG2 DAB 1 -5.437 -8.417 -1.863 6 HG3 DAB 1 HG3 DAB 1 -6.140 -6.826 -2.152 7 HD1 DAB 1 HD1 DAB 1 -6.826 -7.432 -4.165 8 HD2 DAB 1 HD2 DAB 1 -6.500 -9.031 -3.700 9 HD3 DAB 1 HD3 DAB 1 -5.339 -8.146 -4.566 10 H VAL 2 H VAL 2 -2.231 -7.042 -5.501 11 HA VAL 2 HA VAL 2 0.406 -6.605 -4.240 12 HB VAL 2 HB VAL 2 0.743 -8.222 -5.907 13 HG11 VAL 2 HG11 VAL 2 -0.081 -7.716 -8.291 14 HG12 VAL 2 HG12 VAL 2 -1.081 -6.459 -7.561 15 HG13 VAL 2 HG13 VAL 2 -1.322 -8.149 -7.114 16 HG21 VAL 2 HG21 VAL 2 2.156 -6.015 -5.928 17 HG22 VAL 2 HG22 VAL 2 1.313 -5.686 -7.442 18 HG23 VAL 2 HG23 VAL 2 2.315 -7.129 -7.285 19 H ARG 3 H ARG 3 1.421 -4.627 -4.424 20 HA ARG 3 HA ARG 3 0.141 -2.592 -6.114 21 HB2 ARG 3 HB2 ARG 3 0.219 -2.626 -3.126 22 HB3 ARG 3 HB3 ARG 3 0.345 -1.085 -3.968 23 HG2 ARG 3 HG2 ARG 3 -1.870 -1.066 -4.297 24 HG3 ARG 3 HG3 ARG 3 -1.805 -2.585 -5.158 25 HD2 ARG 3 HD2 ARG 3 -3.291 -2.959 -3.331 26 HD3 ARG 3 HD3 ARG 3 -1.780 -3.743 -2.888 27 HE ARG 3 HE ARG 3 -1.520 -2.171 -1.184 28 HH11 ARG 3 HH11 ARG 3 -2.234 -0.438 0.077 29 HH12 ARG 3 HH12 ARG 3 -3.567 0.527 -0.460 30 HH21 ARG 3 HH21 ARG 3 -3.969 -1.227 -3.426 31 HH22 ARG 3 HH22 ARG 3 -4.553 0.081 -2.452 32 H THR 4 H THR 4 1.452 -0.800 -6.543 33 HA THR 4 HA THR 4 4.227 -1.074 -5.628 34 HB THR 4 HB THR 4 3.339 -0.415 -8.431 35 HG1 THR 4 HG1 THR 4 4.299 -2.369 -8.921 36 HG21 THR 4 HG21 THR 4 5.320 0.874 -7.817 37 HG22 THR 4 HG22 THR 4 5.776 -0.420 -8.923 38 HG23 THR 4 HG23 THR 4 6.103 -0.581 -7.200 39 H ARG 5 H ARG 5 5.431 0.827 -5.397 40 HA ARG 5 HA ARG 5 3.847 3.316 -5.547 41 HB2 ARG 5 HB2 ARG 5 5.861 2.972 -3.378 42 HB3 ARG 5 HB3 ARG 5 4.419 3.955 -3.409 43 HG2 ARG 5 HG2 ARG 5 4.258 0.939 -3.418 44 HG3 ARG 5 HG3 ARG 5 4.388 1.844 -1.914 45 HD2 ARG 5 HD2 ARG 5 2.202 1.984 -3.984 46 HD3 ARG 5 HD3 ARG 5 2.047 1.584 -2.281 47 HE ARG 5 HE ARG 5 2.119 4.191 -3.414 48 HH11 ARG 5 HH11 ARG 5 2.095 5.952 -1.986 49 HH12 ARG 5 HH12 ARG 5 2.465 5.705 -0.302 50 HH21 ARG 5 HH21 ARG 5 2.921 2.279 -0.665 51 HH22 ARG 5 HH22 ARG 5 2.914 3.613 0.443 52 H LYS 6 H LYS 6 4.879 3.980 -7.417 53 HA LYS 6 HA LYS 6 6.820 4.276 -8.806 54 HB2 LYS 6 HB2 LYS 6 5.641 6.372 -7.906 55 HB3 LYS 6 HB3 LYS 6 7.023 6.517 -6.818 56 HG2 LYS 6 HG2 LYS 6 8.502 6.298 -8.886 57 HG3 LYS 6 HG3 LYS 6 7.038 6.519 -9.839 58 HD2 LYS 6 HD2 LYS 6 7.514 8.520 -7.671 59 HD3 LYS 6 HD3 LYS 6 8.611 8.593 -9.046 60 HE2 LYS 6 HE2 LYS 6 6.463 10.010 -9.170 61 HE3 LYS 6 HE1 LYS 6 6.834 9.012 -10.578 62 HZ1 LYS 6 HZ1 LYS 6 4.611 8.570 -10.123 63 HZ2 LYS 6 HZ2 LYS 6 4.852 8.550 -8.441 64 HZ3 LYS 6 HZ3 LYS 6 5.416 7.263 -9.401 65 H GLY 7 H GLY 7 8.083 2.416 -7.944 66 HA2 GLY 7 HA2 GLY 7 10.516 2.187 -7.684 67 HA3 GLY 7 HA3 GLY 7 10.425 3.384 -6.405 68 H ARG 8 H ARG 8 8.483 2.584 -4.803 69 HA ARG 8 HA ARG 8 9.566 0.159 -3.651 70 HB2 ARG 8 HB2 ARG 8 7.354 1.852 -2.518 71 HB3 ARG 8 HB3 ARG 8 8.408 0.760 -1.661 72 HG2 ARG 8 HG2 ARG 8 10.295 2.232 -1.917 73 HG3 ARG 8 HG3 ARG 8 9.453 3.200 -3.122 74 HD2 ARG 8 HD2 ARG 8 8.109 2.995 -0.486 75 HD3 ARG 8 HD3 ARG 8 9.619 3.904 -0.514 76 HE ARG 8 HE ARG 8 7.137 4.791 -1.578 77 HH11 ARG 8 HH11 ARG 8 7.133 6.692 -2.816 78 HH12 ARG 8 HH12 ARG 8 8.609 7.269 -3.516 79 HH21 ARG 8 HH21 ARG 8 10.535 4.679 -2.252 80 HH22 ARG 8 HH22 ARG 8 10.533 6.130 -3.197 81 H ARG 9 H ARG 9 8.834 -1.651 -4.531 82 HA ARG 9 HA ARG 9 6.095 -1.946 -5.367 83 HB2 ARG 9 HB2 ARG 9 6.766 -4.146 -6.174 84 HB3 ARG 9 HB3 ARG 9 7.922 -2.930 -6.721 85 HG2 ARG 9 HG2 ARG 9 9.174 -3.538 -4.491 86 HG3 ARG 9 HG3 ARG 9 8.236 -5.028 -4.603 87 HD2 ARG 9 HD2 ARG 9 9.964 -3.933 -6.839 88 HD3 ARG 9 HD3 ARG 9 10.471 -5.198 -5.723 89 HE ARG 9 HE ARG 9 7.979 -5.717 -7.137 90 HH11 ARG 9 HH11 ARG 9 8.036 -7.529 -8.509 91 HH12 ARG 9 HH12 ARG 9 9.556 -8.263 -8.900 92 HH21 ARG 9 HH21 ARG 9 11.420 -6.036 -7.004 93 HH22 ARG 9 HH22 ARG 9 11.472 -7.418 -8.047 94 H ILE 10 H ILE 10 4.518 -2.500 -3.940 95 HA ILE 10 HA ILE 10 5.359 -4.144 -1.614 96 HB ILE 10 HB ILE 10 3.872 -2.930 -0.233 97 HG12 ILE 10 HG12 ILE 10 2.763 -1.803 -2.820 98 HG13 ILE 10 HG13 ILE 10 1.910 -2.797 -1.641 99 HG21 ILE 10 HG21 ILE 10 5.008 -0.948 -0.188 100 HG22 ILE 10 HG22 ILE 10 4.638 -0.578 -1.871 101 HG23 ILE 10 HG23 ILE 10 5.968 -1.672 -1.476 102 HD11 ILE 10 HD11 ILE 10 1.315 -0.415 -1.435 103 HD12 ILE 10 HD12 ILE 10 3.007 -0.016 -1.152 104 HD13 ILE 10 HD13 ILE 10 2.125 -0.999 0.018 105 H 4J5 11 H NOR 11 3.558 -5.394 -0.629 106 HA 4J5 11 HA NOR 11 1.373 -6.025 -2.423 107 HD 4J5 11 HD NOR 11 2.164 -10.822 -2.156 108 HB2 4J5 11 HB2 NOR 11 3.115 -7.533 -3.278 109 HB3 4J5 11 HB3 NOR 11 3.410 -8.122 -1.648 110 HG2 4J5 11 HG2 NOR 11 1.008 -8.929 -1.601 111 HG3 4J5 11 HG3 NOR 11 0.926 -8.547 -3.320 112 HH11 4J5 11 HH11 NOR 11 2.443 -8.462 -4.668 113 HH12 4J5 11 HH12 NOR 11 3.287 -9.522 -5.749 114 HH21 4J5 11 HH21 NOR 11 3.238 -12.213 -3.561 115 HH22 4J5 11 HH22 NOR 11 3.737 -11.649 -5.120 116 H ILE 12 H ILE 12 -0.392 -6.659 -1.400 117 HA ILE 12 HA ILE 12 -0.188 -7.099 1.509 118 HB ILE 12 HB ILE 12 -2.908 -6.612 0.718 119 HG12 ILE 12 HG12 ILE 12 -1.709 -5.517 -1.314 120 HG13 ILE 12 HG13 ILE 12 -2.817 -4.498 -0.401 121 HG21 ILE 12 HG21 ILE 12 -2.497 -4.528 2.131 122 HG22 ILE 12 HG22 ILE 12 -0.819 -5.059 2.265 123 HG23 ILE 12 HG23 ILE 12 -2.116 -6.067 2.906 124 HD11 ILE 12 HD11 ILE 12 -1.080 -3.341 0.673 125 HD12 ILE 12 HD12 ILE 12 -0.474 -3.542 -0.972 126 HD13 ILE 12 HD13 ILE 12 0.105 -4.595 0.314 127 HA DPR 13 HA DPR 13 -1.707 -11.190 1.506 128 HB2 DPR 13 HB2 DPR 13 0.071 -12.692 1.323 129 HB3 DPR 13 HB3 DPR 13 0.781 -11.836 -0.068 130 HG2 DPR 13 HG2 DPR 13 0.858 -11.140 2.823 131 HG3 DPR 13 HG3 DPR 13 2.139 -11.069 1.600 132 HD2 DPR 13 HD2 DPR 13 0.678 -8.893 2.401 133 HD3 DPR 13 HD3 DPR 13 1.457 -9.036 0.811 134 HA PRO 14 HA PRO 14 -3.233 -12.504 -2.486 135 HB2 PRO 14 HB2 PRO 14 -5.815 -11.639 -2.277 136 HB3 PRO 14 HB3 PRO 14 -5.187 -13.060 -1.421 137 HG2 PRO 14 HG2 PRO 14 -5.642 -10.293 -0.415 138 HG3 PRO 14 HG3 PRO 14 -5.951 -11.851 0.375 139 HD2 PRO 14 HD2 PRO 14 -3.761 -10.319 0.931 140 HD3 PRO 14 HD3 PRO 14 -3.765 -12.088 1.067 141 H5' G 17 H5' G 17 -16.184 -2.092 15.849 142 H5'' G 17 H5'' G 17 -14.551 -2.753 15.655 143 H4' G 17 H4' G 17 -16.151 -4.532 15.329 144 H3' G 17 H3' G 17 -14.883 -3.655 12.713 145 H2' G 17 H2'' G 17 -16.072 -5.355 11.647 146 HO2' G 17 H2' G 17 -17.006 -7.087 12.759 147 H1' G 17 H1' G 17 -18.393 -5.134 13.154 148 H8 G 17 H8 G 17 -17.319 -1.646 12.247 149 H1 G 17 H1 G 17 -20.193 -4.772 7.436 150 H21 G 17 H21 G 17 -20.393 -6.895 7.912 151 H22 G 17 H22 G 17 -19.821 -7.581 9.416 152 HO5' G 17 H5T G 17 -15.987 -0.972 14.068 153 H5' G 18 H5' G 18 -14.665 -7.732 12.770 154 H5'' G 18 H5'' G 18 -13.097 -8.428 12.327 155 H4' G 18 H4' G 18 -14.868 -9.404 10.961 156 H3' G 18 H3' G 18 -13.145 -7.515 9.315 157 H2' G 18 H2'' G 18 -14.407 -8.158 7.466 158 HO2' G 18 H2' G 18 -15.192 -10.115 7.227 159 H1' G 18 H1' G 18 -16.838 -8.398 8.801 160 H8 G 18 H8 G 18 -15.099 -5.135 9.697 161 H1 G 18 H1 G 18 -18.195 -4.933 4.097 162 H21 G 18 H21 G 18 -18.797 -6.976 3.481 163 H22 G 18 H22 G 18 -18.441 -8.390 4.448 164 H5' C 19 H5' C 19 -13.484 -11.030 7.198 165 H5'' C 19 H5'' C 19 -11.992 -11.643 6.465 166 H4' C 19 H4' C 19 -13.762 -11.468 4.782 167 H3' C 19 H3' C 19 -11.655 -9.317 4.347 168 H2' C 19 H2'' C 19 -12.848 -8.699 2.438 169 HO2' C 19 H2' C 19 -14.031 -10.066 1.266 170 H1' C 19 H1' C 19 -15.395 -9.223 3.482 171 H41 C 19 H41 C 19 -14.737 -2.890 3.575 172 H42 C 19 H42 C 19 -13.867 -2.992 5.089 173 H5 C 19 H5 C 19 -13.229 -5.091 6.103 174 H6 C 19 H6 C 19 -13.225 -7.522 5.834 175 H5' A 20 H5' A 20 -12.332 -11.036 0.693 176 H5'' A 20 H5'' A 20 -10.886 -11.467 -0.234 177 H4' A 20 H4' A 20 -12.373 -10.132 -1.619 178 H3' A 20 H3' A 20 -9.952 -8.510 -0.765 179 H2' A 20 H2'' A 20 -10.763 -6.776 -2.085 180 HO2' A 20 H2' A 20 -12.693 -8.473 -3.290 181 H1' A 20 H1' A 20 -13.478 -7.210 -1.601 182 H8 A 20 H8 A 20 -11.451 -7.230 1.626 183 H61 A 20 H61 A 20 -12.198 -1.099 1.637 184 H62 A 20 H62 A 20 -11.686 -2.489 2.568 185 H2 A 20 H2 A 20 -13.510 -2.639 -2.344 186 H5' G 21 H5' G 21 -10.349 -8.108 -4.909 187 H5'' G 21 H5'' G 21 -8.830 -8.205 -5.817 188 H4' G 21 H4' G 21 -10.020 -6.164 -6.410 189 H3' G 21 H3' G 21 -7.591 -5.524 -4.696 190 H2' G 21 H2'' G 21 -8.099 -3.269 -5.002 191 HO2' G 21 H2' G 21 -9.433 -4.208 -7.313 192 H1' G 21 H1' G 21 -10.896 -3.596 -5.050 193 H8 G 21 H8 G 21 -9.242 -5.330 -2.087 194 H1 G 21 H1 G 21 -10.169 0.922 -1.227 195 H21 G 21 H21 G 21 -10.731 1.901 -3.126 196 H22 G 21 H22 G 21 -10.887 1.005 -4.620 197 H5' A 22 H5' A 22 -7.479 -2.875 -7.735 198 H5'' A 22 H5'' A 22 -5.923 -2.771 -8.580 199 H4' A 22 H4' A 22 -6.635 -0.533 -7.926 200 H3' A 22 H3' A 22 -4.337 -1.566 -6.239 201 H2' A 22 H2'' A 22 -4.345 0.467 -5.097 202 HO2' A 22 H2' A 22 -4.868 2.382 -6.006 203 H1' A 22 H1' A 22 -7.157 1.027 -5.430 204 H8 A 22 H8 A 22 -6.383 -2.349 -3.848 205 H61 A 22 H61 A 22 -6.468 0.596 1.573 206 H62 A 22 H62 A 22 -6.421 -0.951 0.758 207 H2 A 22 H2 A 22 -6.551 3.694 -1.713 208 H5' U 23 H5' U 23 -3.045 2.240 -8.314 209 H5'' U 23 H5'' U 23 -1.659 1.892 -9.363 210 H4' U 23 H4' U 23 -1.357 4.025 -8.210 211 H3' U 23 H3' U 23 0.515 1.863 -7.209 212 H2' U 23 H2'' U 23 1.370 3.337 -5.657 213 HO2' U 23 H2' U 23 1.979 4.841 -7.327 214 H1' U 23 H1' U 23 -0.923 5.095 -5.593 215 H3 U 23 H3 U 23 0.092 4.450 -1.247 216 H5 U 23 H5 U 23 -1.396 0.741 -2.451 217 H6 U 23 H6 U 23 -1.422 1.578 -4.742 218 H5' C 24 H5' C 24 1.482 3.373 -11.412 219 H5'' C 24 H5'' C 24 3.075 2.909 -12.046 220 H4' C 24 H4' C 24 1.919 5.684 -11.694 221 H3' C 24 H3' C 24 2.046 4.060 -13.985 222 H2' C 24 H2'' C 24 4.348 4.259 -14.395 223 HO2' C 24 H2' C 24 4.242 5.496 -16.108 224 H1' C 24 H1' C 24 4.440 7.039 -13.240 225 H41 C 24 H41 C 24 10.615 5.441 -13.424 226 H42 C 24 H42 C 24 10.341 4.235 -12.187 227 H5 C 24 H5 C 24 8.158 3.685 -11.343 228 H6 C 24 H6 C 24 5.761 4.197 -11.477 229 H5' U 25 H5' U 25 -1.560 7.080 -12.118 230 H5'' U 25 H5'' U 25 0.181 7.137 -11.761 231 H4' U 25 H4' U 25 -1.181 4.803 -10.585 232 H3' U 25 H3' U 25 -2.711 7.125 -10.231 233 H2' U 25 H2'' U 25 -1.179 8.336 -8.934 234 HO2' U 25 H2' U 25 -1.569 6.789 -6.704 235 H1' U 25 H1' U 25 -0.128 5.844 -7.641 236 H3 U 25 H3 U 25 2.822 9.919 -9.383 237 H5 U 25 H5 U 25 3.263 8.091 -5.591 238 H6 U 25 H6 U 25 1.435 6.637 -6.167 239 H5' G 26 H5' G 26 -5.857 7.802 -7.422 240 H5'' G 26 H5'' G 26 -4.341 8.565 -7.939 241 H4' G 26 H4' G 26 -5.077 9.563 -5.862 242 H3' G 26 H3' G 26 -2.679 7.756 -5.399 243 H2' G 26 H2'' G 26 -2.698 8.401 -3.173 244 HO2' G 26 H2' G 26 -4.621 10.342 -3.192 245 H1' G 26 H1' G 26 -5.471 8.624 -2.926 246 H8 G 26 H8 G 26 -5.304 5.276 -4.352 247 H1 G 26 H1 G 26 -2.777 5.439 1.551 248 H21 G 26 H21 G 26 -2.357 7.555 2.125 249 H22 G 26 H22 G 26 -2.711 8.904 1.070 250 H5' A 27 H5' A 27 -1.981 11.266 -3.404 251 H5'' A 27 H5'' A 27 -0.449 12.062 -3.780 252 H4' A 27 H4' A 27 -0.819 12.038 -1.365 253 H3' A 27 H3' A 27 1.379 10.059 -2.086 254 H2' A 27 H2'' A 27 1.646 9.723 0.197 255 HO2' A 27 H2' A 27 0.560 12.294 0.377 256 H1' A 27 H1' A 27 -1.064 9.981 0.881 257 H8 A 27 H8 A 27 -0.548 7.565 -2.019 258 H61 A 27 H61 A 27 0.299 3.266 2.362 259 H62 A 27 H62 A 27 0.089 3.567 0.645 260 H2 A 27 H2 A 27 0.241 7.281 4.338 261 H5' G 28 H5' G 28 2.701 12.557 0.985 262 H5'' G 28 H5'' G 28 4.396 13.059 0.907 263 H4' G 28 H4' G 28 3.886 12.096 3.094 264 H3' G 28 H3' G 28 5.648 10.185 1.511 265 H2' G 28 H2'' G 28 5.657 8.822 3.395 266 HO2' G 28 H2' G 28 4.703 9.846 5.440 267 H1' G 28 H1' G 28 3.057 9.487 4.265 268 H8 G 28 H8 G 28 3.222 8.388 0.613 269 H1 G 28 H1 G 28 3.072 3.534 4.770 270 H21 G 28 H21 G 28 3.401 4.259 6.818 271 H22 G 28 H22 G 28 3.649 5.951 7.181 272 H5' C 29 H5' C 29 7.106 10.510 5.258 273 H5'' C 29 H5'' C 29 8.848 10.777 5.442 274 H4' C 29 H4' C 29 8.108 8.917 6.855 275 H3' C 29 H3' C 29 9.794 7.952 4.520 276 H2' C 29 H2'' C 29 9.559 5.788 5.334 277 HO2' C 29 H2' C 29 8.533 6.345 7.842 278 H1' C 29 H1' C 29 7.013 6.189 6.599 279 H41 C 29 H41 C 29 5.938 2.162 1.813 280 H42 C 29 H42 C 29 5.898 3.506 0.690 281 H5 C 29 H5 C 29 6.445 5.765 1.317 282 H6 C 29 H6 C 29 7.156 7.223 3.149 283 H5' C 30 H5' C 30 10.988 6.041 7.698 284 H5'' C 30 H5'' C 30 12.654 6.270 8.263 285 H4' C 30 H4' C 30 12.059 3.900 8.303 286 H3' C 30 H3' C 30 14.066 4.572 6.129 287 H2' C 30 H2'' C 30 14.168 2.325 5.571 288 HO2' C 30 H2' C 30 13.062 1.855 8.154 289 H1' C 30 H1' C 30 11.477 1.729 6.067 290 H41 C 30 H41 C 30 12.211 2.055 -0.240 291 H42 C 30 H42 C 30 11.623 3.701 -0.193 292 H5 C 30 H5 C 30 11.254 4.907 1.877 293 H6 C 30 H6 C 30 11.320 4.756 4.311 294 H5' U 31 H5' U 31 15.325 1.509 9.074 295 H5'' U 31 H5'' U 31 17.013 1.696 9.576 296 H4' U 31 H4' U 31 16.537 -0.649 9.189 297 H3' U 31 H3' U 31 18.550 0.685 7.506 298 H2' U 31 H2'' U 31 18.399 -0.621 5.616 299 HO2' U 31 H2' U 31 18.412 -2.519 7.488 300 H1' U 31 H1' U 31 15.873 -1.732 5.790 301 H3 U 31 H3 U 31 14.532 0.706 2.271 302 H5 U 31 H5 U 31 16.827 3.469 4.466 303 H6 U 31 H6 U 31 17.195 1.749 6.121 304 H5' G 32 H5' G 32 18.817 -3.630 9.324 305 H5'' G 32 H5'' G 32 20.397 -4.419 9.181 306 H4' G 32 H4' G 32 19.608 -6.055 7.818 307 H3' G 32 H3' G 32 18.756 -3.995 6.168 308 H2' G 32 H2'' G 32 16.626 -3.688 7.079 309 HO2' G 32 H2' G 32 16.624 -5.203 4.939 310 H1' G 32 H1' G 32 16.266 -6.619 7.660 311 H8 G 32 H8 G 32 16.063 -3.018 9.172 312 H1 G 32 H1 G 32 11.710 -7.192 11.334 313 H21 G 32 H21 G 32 12.078 -9.200 10.463 314 H22 G 32 H22 G 32 13.389 -9.514 9.348 315 H5' G 33 H5' G 33 17.482 -3.605 2.444 316 H5'' G 33 H5'' G 33 17.154 -3.187 4.135 317 H4' G 33 H4' G 33 15.254 -2.513 2.843 318 H3' G 33 H3' G 33 14.908 -4.323 4.949 319 H2' G 33 H2'' G 33 14.444 -6.227 3.664 320 HO2' G 33 H2' G 33 12.425 -5.692 4.676 321 H1' G 33 H1' G 33 13.073 -4.623 1.508 322 H8 G 33 H8 G 33 15.882 -7.265 2.182 323 H1 G 33 H1 G 33 12.293 -8.252 -3.039 324 H21 G 33 H21 G 33 10.831 -6.597 -3.278 325 H22 G 33 H22 G 33 10.738 -5.258 -2.157 326 H5' G 34 H5' G 34 9.255 -3.981 5.387 327 H5'' G 34 H5'' G 34 10.301 -5.383 5.680 328 H4' G 34 H4' G 34 8.453 -6.169 4.401 329 H3' G 34 H3' G 34 11.035 -6.415 3.368 330 H2' G 34 H2'' G 34 10.870 -4.894 1.619 331 HO2' G 34 H2' G 34 9.572 -7.269 0.780 332 H1' G 34 H1' G 34 7.944 -5.409 1.183 333 H8 G 34 H8 G 34 6.951 -3.330 -0.084 334 H1 G 34 H1 G 34 12.153 0.187 1.102 335 H21 G 34 H21 G 34 13.548 -0.936 2.388 336 H22 G 34 H22 G 34 13.186 -2.527 3.017 337 H5' A 35 H5' A 35 8.215 -10.623 1.915 338 H5'' A 35 H5'' A 35 8.104 -10.434 0.147 339 H4' A 35 H4' A 35 7.795 -8.064 1.992 340 H3' A 35 H3' A 35 5.940 -10.133 2.171 341 H2' A 35 H2'' A 35 5.096 -10.007 -0.009 342 HO2' A 35 H2' A 35 3.823 -7.704 1.106 343 H1' A 35 H1' A 35 5.423 -7.025 -0.103 344 H8 A 35 H8 A 35 5.608 -6.271 -2.598 345 H61 A 35 H61 A 35 5.573 -11.130 -6.468 346 H62 A 35 H62 A 35 5.512 -9.385 -6.357 347 H2 A 35 H2 A 35 5.880 -12.657 -2.260 348 H5' G 36 H5' G 36 6.180 -7.954 5.371 349 H5'' G 36 H5'' G 36 4.813 -8.165 6.483 350 H4' G 36 H4' G 36 6.285 -6.516 7.402 351 H3' G 36 H3' G 36 3.818 -5.194 6.244 352 H2' G 36 H2'' G 36 4.649 -3.156 6.934 353 HO2' G 36 H2' G 36 6.756 -3.618 8.447 354 H1' G 36 H1' G 36 7.381 -3.768 6.644 355 H8 G 36 H8 G 36 5.548 -4.606 3.442 356 H1 G 36 H1 G 36 6.847 1.649 4.110 357 H21 G 36 H21 G 36 7.521 2.085 6.157 358 H22 G 36 H22 G 36 7.663 0.843 7.378 359 H5' C 37 H5' C 37 4.381 -3.538 9.979 360 H5'' C 37 H5'' C 37 2.922 -3.527 10.984 361 H4' C 37 H4' C 37 3.935 -1.310 10.988 362 H3' C 37 H3' C 37 1.414 -1.326 9.285 363 H2' C 37 H2'' C 37 1.738 0.976 9.026 364 HO2' C 37 H2' C 37 3.821 1.445 10.715 365 H1' C 37 H1' C 37 4.557 0.888 8.981 366 H41 C 37 H41 C 37 2.775 1.877 2.960 367 H42 C 37 H42 C 37 2.485 0.167 2.742 368 H5 C 37 H5 C 37 2.623 -1.430 4.573 369 H6 C 37 H6 C 37 3.025 -1.693 6.976 370 H5' U 38 H5' U 38 0.930 1.910 11.832 371 H5'' U 38 H5'' U 38 -0.681 2.038 12.556 372 H4' U 38 H4' U 38 -0.096 4.136 11.471 373 H3' U 38 H3' U 38 -2.191 2.671 9.822 374 H2' U 38 H2'' U 38 -2.188 4.520 8.410 375 HO2' U 38 H2' U 38 -1.586 5.865 10.736 376 H1' U 38 H1' U 38 0.551 5.165 8.737 377 H3 U 38 H3 U 38 -0.027 4.487 4.268 378 H5 U 38 H5 U 38 0.017 0.623 5.970 379 H6 U 38 H6 U 38 -0.108 1.660 8.155 380 H5' C 39 H5' C 39 -3.473 6.552 10.380 381 H5'' C 39 H5'' C 39 -5.203 6.779 10.681 382 H4' C 39 H4' C 39 -4.426 8.155 8.789 383 H3' C 39 H3' C 39 -6.247 5.923 7.805 384 H2' C 39 H2'' C 39 -5.957 6.791 5.669 385 HO2' C 39 H2' C 39 -4.745 9.134 5.971 386 H1' C 39 H1' C 39 -3.352 7.835 6.117 387 H41 C 39 H41 C 39 -2.674 3.067 1.958 388 H42 C 39 H42 C 39 -2.773 1.890 3.248 389 H5 C 39 H5 C 39 -3.263 2.488 5.547 390 H6 C 39 H6 C 39 -3.847 4.347 7.061 391 H5' U 40 H5' U 40 -7.307 9.337 5.996 392 H5'' U 40 H5'' U 40 -9.031 9.746 5.933 393 H4' U 40 H4' U 40 -8.021 9.836 3.689 394 H3' U 40 H3' U 40 -9.922 7.487 3.995 395 H2' U 40 H2'' U 40 -9.515 6.983 1.757 396 HO2' U 40 H2' U 40 -8.385 8.565 0.387 397 H1' U 40 H1' U 40 -6.833 7.745 1.719 398 H3 U 40 H3 U 40 -6.907 3.245 0.738 399 H5 U 40 H5 U 40 -7.417 3.507 4.921 400 H6 U 40 H6 U 40 -7.701 5.889 4.688 401 H5' C 41 H5' C 41 -10.932 9.533 0.482 402 H5'' C 41 H5'' C 41 -12.663 9.834 0.243 403 H4' C 41 H4' C 41 -11.724 8.742 -1.729 404 H3' C 41 H3' C 41 -13.475 6.820 -0.154 405 H2' C 41 H2'' C 41 -13.067 5.245 -1.829 406 HO2' C 41 H2' C 41 -11.880 7.169 -3.532 407 H1' C 41 H1' C 41 -10.429 5.998 -2.349 408 H41 C 41 H41 C 41 -10.046 0.719 1.215 409 H42 C 41 H42 C 41 -10.268 1.675 2.662 410 H5 C 41 H5 C 41 -10.793 4.013 2.616 411 H6 C 41 H6 C 41 -11.244 5.951 1.180 412 H5' U 42 H5' U 42 -14.710 6.450 -4.069 413 H5'' U 42 H5'' U 42 -16.464 6.450 -4.316 414 H4' U 42 H4' U 42 -15.477 4.465 -5.340 415 H3' U 42 H3' U 42 -17.011 3.720 -2.823 416 H2' U 42 H2'' U 42 -16.510 1.498 -3.308 417 HO2' U 42 H2' U 42 -15.785 2.310 -5.946 418 H1' U 42 H1' U 42 -13.972 1.976 -4.407 419 H3 U 42 H3 U 42 -13.280 -0.724 -0.776 420 H5 U 42 H5 U 42 -13.886 3.124 0.821 421 H6 U 42 H6 U 42 -14.596 3.849 -1.378 422 H5' G 43 H5' G 43 -18.297 1.153 -5.821 423 H5'' G 43 H5'' G 43 -20.044 0.866 -5.868 424 H4' G 43 H4' G 43 -18.850 -1.257 -5.775 425 H3' G 43 H3' G 43 -20.209 -0.683 -3.117 426 H2' G 43 H2'' G 43 -19.454 -2.769 -2.413 427 HO2' G 43 H2' G 43 -18.435 -4.166 -4.197 428 H1' G 43 H1' G 43 -17.036 -2.728 -3.824 429 H8 G 43 H8 G 43 -17.639 0.467 -1.826 430 H1 G 43 H1 G 43 -15.261 -4.326 1.676 431 H21 G 43 H21 G 43 -15.362 -6.237 0.524 432 H22 G 43 H22 G 43 -16.009 -6.315 -1.099 433 H5' C 44 H5' C 44 -21.207 -4.538 -4.245 434 H5'' C 44 H5'' C 44 -22.904 -4.988 -4.012 435 H4' C 44 H4' C 44 -21.433 -6.631 -2.954 436 H3' C 44 H3' C 44 -22.852 -4.947 -0.857 437 H2' C 44 H2'' C 44 -21.829 -6.294 0.749 438 HO2' C 44 H2' C 44 -21.328 -8.157 -1.357 439 H1' C 44 H1' C 44 -19.434 -6.695 -0.663 440 H41 C 44 H41 C 44 -18.074 -2.506 3.950 441 H42 C 44 H42 C 44 -18.716 -1.205 2.974 442 H5 C 44 H5 C 44 -19.832 -1.572 0.864 443 H6 C 44 H6 C 44 -20.621 -3.269 -0.717 444 H5' C 45 H5' C 45 -23.283 -8.888 0.237 445 H5'' C 45 H5'' C 45 -24.926 -9.371 0.689 446 H4' C 45 H4' C 45 -23.353 -10.047 2.429 447 H3' C 45 H3' C 45 -25.104 -7.718 3.260 448 HO3' C 45 H3T C 45 -26.445 -9.331 3.532 449 H2' C 45 H2'' C 45 -24.069 -7.730 5.337 450 HO2' C 45 H2' C 45 -22.766 -9.673 5.951 451 H1' C 45 H1' C 45 -21.554 -8.736 4.431 452 H41 C 45 H41 C 45 -20.496 -2.629 6.073 453 H42 C 45 H42 C 45 -21.225 -2.119 4.573 454 H5 C 45 H5 C 45 -22.291 -3.608 3.034 455 H6 C 45 H6 C 45 -22.928 -5.928 2.587 Start of MODEL 7 1 H1 DAB 1 H DAB 1 -3.390 -8.960 -1.584 2 HA DAB 1 HA DAB 1 -3.951 -8.054 -4.368 3 HB2 DAB 1 HB2 DAB 1 -4.038 -6.460 -1.795 4 HB3 DAB 1 HB3 DAB 1 -4.262 -5.791 -3.413 5 HG2 DAB 1 HG2 DAB 1 -6.018 -7.774 -1.960 6 HG3 DAB 1 HG3 DAB 1 -6.460 -6.185 -2.586 7 HD1 DAB 1 HD1 DAB 1 -6.322 -8.713 -3.943 8 HD2 DAB 1 HD2 DAB 1 -5.517 -7.471 -4.772 9 HD3 DAB 1 HD3 DAB 1 -7.154 -7.297 -4.370 10 H VAL 2 H VAL 2 -2.408 -6.903 -5.451 11 HA VAL 2 HA VAL 2 0.207 -6.628 -4.094 12 HB VAL 2 HB VAL 2 0.431 -8.308 -5.737 13 HG11 VAL 2 HG11 VAL 2 -0.183 -7.630 -8.181 14 HG12 VAL 2 HG12 VAL 2 -1.189 -6.401 -7.416 15 HG13 VAL 2 HG13 VAL 2 -1.486 -8.109 -7.094 16 HG21 VAL 2 HG21 VAL 2 1.343 -5.805 -7.168 17 HG22 VAL 2 HG22 VAL 2 2.142 -7.376 -7.103 18 HG23 VAL 2 HG23 VAL 2 2.110 -6.342 -5.675 19 H ARG 3 H ARG 3 1.381 -4.719 -4.268 20 HA ARG 3 HA ARG 3 0.256 -2.641 -6.034 21 HB2 ARG 3 HB2 ARG 3 0.331 -2.643 -3.055 22 HB3 ARG 3 HB3 ARG 3 0.694 -1.128 -3.877 23 HG2 ARG 3 HG2 ARG 3 -1.445 -0.851 -4.573 24 HG3 ARG 3 HG3 ARG 3 -1.668 -2.553 -4.940 25 HD2 ARG 3 HD2 ARG 3 -3.035 -1.539 -2.965 26 HD3 ARG 3 HD3 ARG 3 -2.262 -3.102 -2.741 27 HE ARG 3 HE ARG 3 -0.355 -1.530 -1.781 28 HH11 ARG 3 HH11 ARG 3 -0.244 -0.512 0.217 29 HH12 ARG 3 HH12 ARG 3 -1.696 -0.091 1.064 30 HH21 ARG 3 HH21 ARG 3 -3.776 -1.296 -1.443 31 HH22 ARG 3 HH22 ARG 3 -3.716 -0.539 0.111 32 H THR 4 H THR 4 1.788 -1.546 -7.034 33 HA THR 4 HA THR 4 4.517 -1.769 -5.980 34 HB THR 4 HB THR 4 3.788 -1.229 -8.844 35 HG1 THR 4 HG1 THR 4 4.741 -3.704 -7.984 36 HG21 THR 4 HG21 THR 4 6.082 -1.764 -9.290 37 HG22 THR 4 HG22 THR 4 6.335 -2.336 -7.641 38 HG23 THR 4 HG23 THR 4 6.084 -0.617 -7.951 39 H ARG 5 H ARG 5 4.867 0.105 -4.820 40 HA ARG 5 HA ARG 5 3.765 2.606 -5.661 41 HB2 ARG 5 HB2 ARG 5 5.860 2.201 -3.558 42 HB3 ARG 5 HB3 ARG 5 4.640 3.454 -3.649 43 HG2 ARG 5 HG2 ARG 5 3.829 0.555 -3.398 44 HG3 ARG 5 HG3 ARG 5 4.266 1.484 -1.970 45 HD2 ARG 5 HD2 ARG 5 2.023 1.993 -3.915 46 HD3 ARG 5 HD3 ARG 5 1.908 1.708 -2.182 47 HE ARG 5 HE ARG 5 2.632 4.189 -3.488 48 HH11 ARG 5 HH11 ARG 5 2.774 5.986 -2.112 49 HH12 ARG 5 HH12 ARG 5 2.805 5.754 -0.387 50 HH21 ARG 5 HH21 ARG 5 2.566 2.294 -0.611 51 HH22 ARG 5 HH22 ARG 5 2.684 3.653 0.457 52 H LYS 6 H LYS 6 4.829 4.218 -6.701 53 HA LYS 6 HA LYS 6 6.935 3.756 -8.393 54 HB2 LYS 6 HB2 LYS 6 5.626 5.670 -8.724 55 HB3 LYS 6 HB3 LYS 6 5.941 6.250 -7.091 56 HG2 LYS 6 HG2 LYS 6 7.974 7.185 -7.695 57 HG3 LYS 6 HG3 LYS 6 8.372 5.841 -8.761 58 HD2 LYS 6 HD2 LYS 6 8.085 7.863 -10.077 59 HD3 LYS 6 HD3 LYS 6 6.784 6.736 -10.448 60 HE2 LYS 6 HE2 LYS 6 5.967 9.064 -10.134 61 HE3 LYS 6 HE1 LYS 6 5.272 7.943 -8.964 62 HZ1 LYS 6 HZ1 LYS 6 5.972 9.860 -7.784 63 HZ2 LYS 6 HZ2 LYS 6 7.501 9.853 -8.530 64 HZ3 LYS 6 HZ3 LYS 6 7.087 8.635 -7.421 65 H GLY 7 H GLY 7 8.341 2.457 -6.968 66 HA2 GLY 7 HA2 GLY 7 10.759 3.047 -6.515 67 HA3 GLY 7 HA3 GLY 7 10.103 4.150 -5.317 68 H ARG 8 H ARG 8 7.945 2.176 -4.688 69 HA ARG 8 HA ARG 8 9.546 0.131 -3.266 70 HB2 ARG 8 HB2 ARG 8 7.227 1.578 -1.984 71 HB3 ARG 8 HB3 ARG 8 8.378 0.498 -1.223 72 HG2 ARG 8 HG2 ARG 8 10.126 2.101 -1.320 73 HG3 ARG 8 HG3 ARG 8 9.292 3.052 -2.545 74 HD2 ARG 8 HD2 ARG 8 7.793 2.743 -0.014 75 HD3 ARG 8 HD3 ARG 8 9.293 3.659 0.122 76 HE ARG 8 HE ARG 8 6.922 4.436 -1.396 77 HH11 ARG 8 HH11 ARG 8 6.975 6.570 -2.165 78 HH12 ARG 8 HH12 ARG 8 8.454 7.469 -2.114 79 HH21 ARG 8 HH21 ARG 8 10.283 4.885 -0.697 80 HH22 ARG 8 HH22 ARG 8 10.328 6.515 -1.282 81 H ARG 9 H ARG 9 8.872 -1.814 -3.761 82 HA ARG 9 HA ARG 9 6.254 -2.222 -4.899 83 HB2 ARG 9 HB2 ARG 9 8.166 -4.471 -4.522 84 HB3 ARG 9 HB3 ARG 9 7.061 -4.151 -5.858 85 HG2 ARG 9 HG2 ARG 9 8.490 -2.261 -6.586 86 HG3 ARG 9 HG3 ARG 9 9.605 -2.611 -5.263 87 HD2 ARG 9 HD2 ARG 9 10.237 -4.688 -6.196 88 HD3 ARG 9 HD3 ARG 9 8.845 -4.722 -7.275 89 HE ARG 9 HE ARG 9 10.060 -3.444 -8.778 90 HH11 ARG 9 HH11 ARG 9 11.884 -2.269 -9.450 91 HH12 ARG 9 HH12 ARG 9 13.082 -1.803 -8.288 92 HH21 ARG 9 HH21 ARG 9 11.434 -3.259 -5.607 93 HH22 ARG 9 HH22 ARG 9 12.827 -2.363 -6.114 94 H ILE 10 H ILE 10 4.572 -2.628 -3.593 95 HA ILE 10 HA ILE 10 5.149 -4.250 -1.172 96 HB ILE 10 HB ILE 10 3.720 -2.914 0.108 97 HG12 ILE 10 HG12 ILE 10 2.603 -1.924 -2.529 98 HG13 ILE 10 HG13 ILE 10 1.754 -2.893 -1.320 99 HG21 ILE 10 HG21 ILE 10 5.812 -1.727 -0.985 100 HG22 ILE 10 HG22 ILE 10 4.642 -0.774 -0.070 101 HG23 ILE 10 HG23 ILE 10 4.582 -0.786 -1.831 102 HD11 ILE 10 HD11 ILE 10 2.722 -0.047 -1.045 103 HD12 ILE 10 HD12 ILE 10 2.075 -1.003 0.290 104 HD13 ILE 10 HD13 ILE 10 1.051 -0.604 -1.093 105 H 4J5 11 H NOR 11 3.283 -5.461 -0.334 106 HA 4J5 11 HA NOR 11 1.159 -5.978 -2.231 107 HD 4J5 11 HD NOR 11 1.997 -10.253 -3.682 108 HB2 4J5 11 HB2 NOR 11 2.802 -7.555 -3.087 109 HB3 4J5 11 HB3 NOR 11 3.141 -8.122 -1.459 110 HG2 4J5 11 HG2 NOR 11 0.834 -8.996 -1.282 111 HG3 4J5 11 HG3 NOR 11 0.530 -8.500 -2.944 112 HH11 4J5 11 HH11 NOR 11 1.836 -9.924 -0.230 113 HH12 4J5 11 HH12 NOR 11 2.483 -11.500 0.074 114 HH21 4J5 11 HH21 NOR 11 2.769 -12.311 -3.281 115 HH22 4J5 11 HH22 NOR 11 3.015 -12.851 -1.655 116 H ILE 12 H ILE 12 -0.662 -6.582 -1.265 117 HA ILE 12 HA ILE 12 -0.556 -7.097 1.637 118 HB ILE 12 HB ILE 12 -3.224 -6.438 0.915 119 HG12 ILE 12 HG12 ILE 12 -2.047 -5.498 -1.227 120 HG13 ILE 12 HG13 ILE 12 -3.101 -4.404 -0.333 121 HG21 ILE 12 HG21 ILE 12 -0.971 -4.951 2.285 122 HG22 ILE 12 HG22 ILE 12 -2.312 -5.826 3.030 123 HG23 ILE 12 HG23 ILE 12 -2.612 -4.302 2.194 124 HD11 ILE 12 HD11 ILE 12 -0.673 -3.640 -1.041 125 HD12 ILE 12 HD12 ILE 12 -0.202 -4.527 0.406 126 HD13 ILE 12 HD13 ILE 12 -1.334 -3.179 0.530 127 HA DPR 13 HA DPR 13 -2.289 -11.099 1.492 128 HB2 DPR 13 HB2 DPR 13 -0.592 -12.692 1.225 129 HB3 DPR 13 HB3 DPR 13 0.185 -11.780 -0.092 130 HG2 DPR 13 HG2 DPR 13 0.220 -11.272 2.839 131 HG3 DPR 13 HG3 DPR 13 1.532 -11.174 1.651 132 HD2 DPR 13 HD2 DPR 13 0.090 -9.001 2.558 133 HD3 DPR 13 HD3 DPR 13 0.969 -9.056 1.017 134 HA PRO 14 HA PRO 14 -3.917 -12.219 -2.517 135 HB2 PRO 14 HB2 PRO 14 -6.415 -11.123 -2.314 136 HB3 PRO 14 HB3 PRO 14 -5.922 -12.604 -1.472 137 HG2 PRO 14 HG2 PRO 14 -6.111 -9.817 -0.437 138 HG3 PRO 14 HG3 PRO 14 -6.591 -11.341 0.330 139 HD2 PRO 14 HD2 PRO 14 -4.268 -10.068 0.942 140 HD3 PRO 14 HD3 PRO 14 -4.439 -11.833 1.013 141 H5' G 17 H5' G 17 -15.955 -2.245 15.843 142 H5'' G 17 H5'' G 17 -14.323 -2.885 15.577 143 H4' G 17 H4' G 17 -15.924 -4.681 15.325 144 H3' G 17 H3' G 17 -14.744 -3.804 12.676 145 H2' G 17 H2'' G 17 -15.953 -5.500 11.636 146 HO2' G 17 H2' G 17 -16.690 -6.628 14.137 147 H1' G 17 H1' G 17 -18.240 -5.288 13.183 148 H8 G 17 H8 G 17 -17.164 -1.791 12.309 149 H1 G 17 H1 G 17 -20.137 -4.832 7.504 150 H21 G 17 H21 G 17 -20.334 -6.960 7.948 151 H22 G 17 H22 G 17 -19.739 -7.671 9.432 152 HO5' G 17 H5T G 17 -14.127 -1.667 13.867 153 H5' G 18 H5' G 18 -14.541 -7.875 12.703 154 H5'' G 18 H5'' G 18 -12.987 -8.583 12.230 155 H4' G 18 H4' G 18 -14.797 -9.538 10.893 156 H3' G 18 H3' G 18 -13.082 -7.665 9.229 157 H2' G 18 H2'' G 18 -14.380 -8.267 7.399 158 HO2' G 18 H2' G 18 -15.638 -10.124 7.322 159 H1' G 18 H1' G 18 -16.794 -8.500 8.769 160 H8 G 18 H8 G 18 -15.013 -5.259 9.664 161 H1 G 18 H1 G 18 -18.199 -4.982 4.119 162 H21 G 18 H21 G 18 -18.820 -7.014 3.492 163 H22 G 18 H22 G 18 -18.456 -8.441 4.438 164 H5' C 19 H5' C 19 -13.511 -11.164 7.094 165 H5'' C 19 H5'' C 19 -12.045 -11.794 6.324 166 H4' C 19 H4' C 19 -13.848 -11.564 4.680 167 H3' C 19 H3' C 19 -11.709 -9.450 4.235 168 H2' C 19 H2'' C 19 -12.924 -8.802 2.346 169 HO2' C 19 H2' C 19 -14.797 -10.845 2.365 170 H1' C 19 H1' C 19 -15.461 -9.285 3.437 171 H41 C 19 H41 C 19 -14.697 -2.964 3.545 172 H42 C 19 H42 C 19 -13.797 -3.086 5.041 173 H5 C 19 H5 C 19 -13.166 -5.201 6.027 174 H6 C 19 H6 C 19 -13.206 -7.629 5.748 175 H5' A 20 H5' A 20 -12.476 -11.097 0.597 176 H5'' A 20 H5'' A 20 -11.055 -11.551 -0.360 177 H4' A 20 H4' A 20 -12.526 -10.159 -1.705 178 H3' A 20 H3' A 20 -10.069 -8.598 -0.833 179 H2' A 20 H2'' A 20 -10.853 -6.841 -2.154 180 HO2' A 20 H2' A 20 -12.559 -8.756 -3.394 181 H1' A 20 H1' A 20 -13.572 -7.235 -1.649 182 H8 A 20 H8 A 20 -11.533 -7.289 1.570 183 H61 A 20 H61 A 20 -12.199 -1.149 1.588 184 H62 A 20 H62 A 20 -11.698 -2.545 2.515 185 H2 A 20 H2 A 20 -13.550 -2.664 -2.385 186 H5' G 21 H5' G 21 -10.412 -8.138 -4.965 187 H5'' G 21 H5'' G 21 -8.888 -8.262 -5.857 188 H4' G 21 H4' G 21 -10.014 -6.182 -6.429 189 H3' G 21 H3' G 21 -7.594 -5.626 -4.678 190 H2' G 21 H2'' G 21 -8.047 -3.361 -4.945 191 HO2' G 21 H2' G 21 -9.029 -2.525 -6.702 192 H1' G 21 H1' G 21 -10.857 -3.630 -5.080 193 H8 G 21 H8 G 21 -9.307 -5.393 -2.078 194 H1 G 21 H1 G 21 -10.172 0.873 -1.244 195 H21 G 21 H21 G 21 -10.670 1.856 -3.156 196 H22 G 21 H22 G 21 -10.801 0.960 -4.652 197 H5' A 22 H5' A 22 -7.398 -2.947 -7.705 198 H5'' A 22 H5'' A 22 -5.835 -2.859 -8.536 199 H4' A 22 H4' A 22 -6.532 -0.615 -7.879 200 H3' A 22 H3' A 22 -4.268 -1.663 -6.171 201 H2' A 22 H2'' A 22 -4.270 0.374 -5.029 202 HO2' A 22 H2' A 22 -5.885 1.850 -6.734 203 H1' A 22 H1' A 22 -7.079 0.952 -5.405 204 H8 A 22 H8 A 22 -6.333 -2.417 -3.790 205 H61 A 22 H61 A 22 -6.505 0.574 1.606 206 H62 A 22 H62 A 22 -6.450 -0.979 0.804 207 H2 A 22 H2 A 22 -6.535 3.647 -1.707 208 H5' U 23 H5' U 23 -3.009 2.154 -8.248 209 H5'' U 23 H5'' U 23 -1.614 1.824 -9.293 210 H4' U 23 H4' U 23 -1.364 3.984 -8.168 211 H3' U 23 H3' U 23 0.568 1.867 -7.196 212 H2' U 23 H2'' U 23 1.409 3.314 -5.648 213 HO2' U 23 H2' U 23 1.829 4.845 -7.490 214 H1' U 23 H1' U 23 -0.893 5.076 -5.551 215 H3 U 23 H3 U 23 0.214 4.450 -1.228 216 H5 U 23 H5 U 23 -1.387 0.757 -2.390 217 H6 U 23 H6 U 23 -1.412 1.576 -4.682 218 H5' C 24 H5' C 24 3.446 5.462 -9.234 219 H5'' C 24 H5'' C 24 1.830 5.403 -9.950 220 H4' C 24 H4' C 24 3.069 6.899 -11.291 221 H3' C 24 H3' C 24 2.072 4.563 -12.466 222 H2' C 24 H2'' C 24 4.121 3.484 -12.837 223 HO2' C 24 H2' C 24 3.581 5.289 -14.894 224 H1' C 24 H1' C 24 5.558 6.097 -13.251 225 H41 C 24 H41 C 24 10.636 2.449 -12.049 226 H42 C 24 H42 C 24 9.740 1.472 -10.908 227 H5 C 24 H5 C 24 7.415 1.824 -10.419 228 H6 C 24 H6 C 24 5.470 3.247 -10.829 229 H5' U 25 H5' U 25 -1.208 7.255 -12.181 230 H5'' U 25 H5'' U 25 0.469 7.508 -11.646 231 H4' U 25 H4' U 25 -0.798 4.988 -10.708 232 H3' U 25 H3' U 25 -2.411 7.231 -10.301 233 H2' U 25 H2'' U 25 -0.958 8.431 -8.895 234 HO2' U 25 H2' U 25 -2.089 6.424 -7.201 235 H1' U 25 H1' U 25 0.097 5.904 -7.667 236 H3 U 25 H3 U 25 2.882 10.246 -9.023 237 H5 U 25 H5 U 25 3.498 8.017 -5.477 238 H6 U 25 H6 U 25 1.731 6.542 -6.189 239 H5' G 26 H5' G 26 -5.644 7.709 -7.535 240 H5'' G 26 H5'' G 26 -4.153 8.522 -8.045 241 H4' G 26 H4' G 26 -4.906 9.473 -5.957 242 H3' G 26 H3' G 26 -2.475 7.714 -5.506 243 H2' G 26 H2'' G 26 -2.513 8.322 -3.281 244 HO2' G 26 H2' G 26 -4.023 10.563 -4.186 245 H1' G 26 H1' G 26 -5.302 8.562 -3.060 246 H8 G 26 H8 G 26 -5.079 5.184 -4.417 247 H1 G 26 H1 G 26 -2.718 5.490 1.546 248 H21 G 26 H21 G 26 -2.330 7.620 2.087 249 H22 G 26 H22 G 26 -2.666 8.944 0.995 250 H5' A 27 H5' A 27 -1.849 11.253 -3.502 251 H5'' A 27 H5'' A 27 -0.324 12.070 -3.857 252 H4' A 27 H4' A 27 -0.729 12.046 -1.448 253 H3' A 27 H3' A 27 1.492 10.083 -2.125 254 H2' A 27 H2'' A 27 1.722 9.764 0.161 255 HO2' A 27 H2' A 27 0.799 11.218 1.695 256 H1' A 27 H1' A 27 -1.002 10.010 0.801 257 H8 A 27 H8 A 27 -0.421 7.559 -2.059 258 H61 A 27 H61 A 27 0.339 3.327 2.402 259 H62 A 27 H62 A 27 0.161 3.601 0.675 260 H2 A 27 H2 A 27 0.248 7.369 4.315 261 H5' G 28 H5' G 28 2.748 12.596 0.952 262 H5'' G 28 H5'' G 28 4.449 13.084 0.924 263 H4' G 28 H4' G 28 3.861 12.117 3.094 264 H3' G 28 H3' G 28 5.660 10.199 1.564 265 H2' G 28 H2'' G 28 5.597 8.838 3.447 266 HO2' G 28 H2' G 28 4.642 9.826 5.474 267 H1' G 28 H1' G 28 2.977 9.533 4.238 268 H8 G 28 H8 G 28 3.276 8.394 0.601 269 H1 G 28 H1 G 28 2.914 3.584 4.797 270 H21 G 28 H21 G 28 3.162 4.333 6.852 271 H22 G 28 H22 G 28 3.408 6.027 7.205 272 H5' C 29 H5' C 29 6.966 10.518 5.348 273 H5'' C 29 H5'' C 29 8.697 10.781 5.611 274 H4' C 29 H4' C 29 7.884 8.930 6.996 275 H3' C 29 H3' C 29 9.671 7.949 4.746 276 H2' C 29 H2'' C 29 9.411 5.794 5.571 277 HO2' C 29 H2' C 29 8.681 7.001 8.062 278 H1' C 29 H1' C 29 6.799 6.186 6.688 279 H41 C 29 H41 C 29 6.020 2.161 1.846 280 H42 C 29 H42 C 29 6.021 3.507 0.725 281 H5 C 29 H5 C 29 6.513 5.771 1.384 282 H6 C 29 H6 C 29 7.114 7.231 3.253 283 H5' C 30 H5' C 30 10.687 6.080 8.052 284 H5'' C 30 H5'' C 30 12.313 6.346 8.706 285 H4' C 30 H4' C 30 11.743 3.978 8.805 286 H3' C 30 H3' C 30 13.856 4.626 6.737 287 H2' C 30 H2'' C 30 14.053 2.384 6.246 288 HO2' C 30 H2' C 30 12.746 0.919 7.864 289 H1' C 30 H1' C 30 11.351 1.697 6.644 290 H41 C 30 H41 C 30 12.234 1.733 0.376 291 H42 C 30 H42 C 30 11.757 3.416 0.321 292 H5 C 30 H5 C 30 11.404 4.745 2.323 293 H6 C 30 H6 C 30 11.374 4.700 4.766 294 H5' U 31 H5' U 31 15.064 1.420 9.003 295 H5'' U 31 H5'' U 31 16.632 1.628 9.802 296 H4' U 31 H4' U 31 16.542 -0.566 8.774 297 H3' U 31 H3' U 31 18.589 1.310 8.070 298 H2' U 31 H2'' U 31 18.227 1.412 5.799 299 HO2' U 31 H2' U 31 19.807 0.130 5.239 300 H1' U 31 H1' U 31 16.808 -1.208 5.641 301 H3 U 31 H3 U 31 14.923 -0.214 1.703 302 H5 U 31 H5 U 31 15.262 3.563 3.541 303 H6 U 31 H6 U 31 16.254 2.471 5.461 304 H5' G 32 H5' G 32 21.699 -3.284 7.583 305 H5'' G 32 H5'' G 32 22.008 -2.970 5.862 306 H4' G 32 H4' G 32 21.160 -5.194 6.006 307 H3' G 32 H3' G 32 19.793 -3.318 4.495 308 H2' G 32 H2'' G 32 18.002 -3.007 5.966 309 HO2' G 32 H2' G 32 16.486 -3.851 4.794 310 H1' G 32 H1' G 32 17.984 -5.876 6.842 311 H8 G 32 H8 G 32 18.000 -2.167 8.067 312 H1 G 32 H1 G 32 14.651 -6.271 11.676 313 H21 G 32 H21 G 32 14.885 -8.335 10.894 314 H22 G 32 H22 G 32 15.853 -8.700 9.484 315 H5' G 33 H5' G 33 16.833 -5.987 3.976 316 H5'' G 33 H5'' G 33 16.732 -6.640 2.328 317 H4' G 33 H4' G 33 15.407 -4.032 2.582 318 H3' G 33 H3' G 33 14.862 -5.566 4.842 319 H2' G 33 H2'' G 33 13.912 -7.400 3.779 320 HO2' G 33 H2' G 33 12.213 -6.371 4.985 321 H1' G 33 H1' G 33 12.612 -5.704 1.656 322 H8 G 33 H8 G 33 15.001 -8.747 2.209 323 H1 G 33 H1 G 33 10.560 -9.432 -2.377 324 H21 G 33 H21 G 33 9.364 -7.570 -2.558 325 H22 G 33 H22 G 33 9.658 -6.166 -1.556 326 H5' G 34 H5' G 34 9.428 -4.187 5.767 327 H5'' G 34 H5'' G 34 10.355 -5.680 6.014 328 H4' G 34 H4' G 34 8.366 -6.355 4.932 329 H3' G 34 H3' G 34 10.787 -6.753 3.640 330 H2' G 34 H2'' G 34 10.554 -5.191 1.933 331 HO2' G 34 H2' G 34 8.639 -6.706 0.641 332 H1' G 34 H1' G 34 7.598 -5.512 1.734 333 H8 G 34 H8 G 34 6.750 -3.444 0.393 334 H1 G 34 H1 G 34 11.979 -0.025 1.790 335 H21 G 34 H21 G 34 13.301 -1.165 3.149 336 H22 G 34 H22 G 34 12.894 -2.750 3.751 337 H5' A 35 H5' A 35 7.766 -10.801 2.174 338 H5'' A 35 H5'' A 35 7.826 -10.609 0.403 339 H4' A 35 H4' A 35 7.526 -8.177 2.134 340 H3' A 35 H3' A 35 5.609 -10.175 2.424 341 H2' A 35 H2'' A 35 4.756 -10.130 0.247 342 HO2' A 35 H2' A 35 3.021 -9.312 1.500 343 H1' A 35 H1' A 35 5.192 -7.172 0.023 344 H8 A 35 H8 A 35 5.387 -6.517 -2.495 345 H61 A 35 H61 A 35 5.034 -11.510 -6.183 346 H62 A 35 H62 A 35 5.061 -9.761 -6.139 347 H2 A 35 H2 A 35 5.346 -12.888 -1.925 348 H5' G 36 H5' G 36 5.970 -7.926 5.501 349 H5'' G 36 H5'' G 36 4.611 -8.070 6.634 350 H4' G 36 H4' G 36 6.158 -6.471 7.514 351 H3' G 36 H3' G 36 3.724 -5.079 6.373 352 H2' G 36 H2'' G 36 4.628 -3.066 7.041 353 HO2' G 36 H2' G 36 6.718 -4.038 8.587 354 H1' G 36 H1' G 36 7.334 -3.763 6.711 355 H8 G 36 H8 G 36 5.455 -4.580 3.530 356 H1 G 36 H1 G 36 6.904 1.655 4.159 357 H21 G 36 H21 G 36 7.594 2.090 6.192 358 H22 G 36 H22 G 36 7.716 0.856 7.424 359 H5' C 37 H5' C 37 4.347 -3.403 10.083 360 H5'' C 37 H5'' C 37 2.896 -3.355 11.098 361 H4' C 37 H4' C 37 3.939 -1.153 11.067 362 H3' C 37 H3' C 37 1.418 -1.168 9.375 363 H2' C 37 H2'' C 37 1.760 1.126 9.097 364 HO2' C 37 H2' C 37 3.083 2.358 10.450 365 H1' C 37 H1' C 37 4.576 1.013 9.012 366 H41 C 37 H41 C 37 2.716 1.904 2.998 367 H42 C 37 H42 C 37 2.416 0.192 2.816 368 H5 C 37 H5 C 37 2.565 -1.372 4.673 369 H6 C 37 H6 C 37 2.997 -1.595 7.074 370 H5' U 38 H5' U 38 0.945 2.098 11.893 371 H5'' U 38 H5'' U 38 -0.664 2.236 12.617 372 H4' U 38 H4' U 38 -0.080 4.320 11.509 373 H3' U 38 H3' U 38 -2.163 2.836 9.870 374 H2' U 38 H2'' U 38 -2.161 4.666 8.442 375 HO2' U 38 H2' U 38 -0.671 6.313 10.173 376 H1' U 38 H1' U 38 0.574 5.326 8.770 377 H3 U 38 H3 U 38 0.007 4.599 4.305 378 H5 U 38 H5 U 38 0.066 0.752 6.053 379 H6 U 38 H6 U 38 -0.079 1.814 8.222 380 H5' C 39 H5' C 39 -3.445 6.719 10.357 381 H5'' C 39 H5'' C 39 -5.174 6.958 10.641 382 H4' C 39 H4' C 39 -4.376 8.300 8.731 383 H3' C 39 H3' C 39 -6.192 6.055 7.779 384 H2' C 39 H2'' C 39 -5.886 6.883 5.630 385 HO2' C 39 H2' C 39 -5.470 9.333 6.974 386 H1' C 39 H1' C 39 -3.282 7.942 6.082 387 H41 C 39 H41 C 39 -2.572 3.120 1.985 388 H42 C 39 H42 C 39 -2.689 1.960 3.289 389 H5 C 39 H5 C 39 -3.208 2.584 5.572 390 H6 C 39 H6 C 39 -3.801 4.462 7.058 391 H5' U 40 H5' U 40 -7.234 9.422 5.888 392 H5'' U 40 H5'' U 40 -8.954 9.846 5.818 393 H4' U 40 H4' U 40 -7.946 9.874 3.570 394 H3' U 40 H3' U 40 -9.853 7.544 3.940 395 H2' U 40 H2'' U 40 -9.464 6.985 1.715 396 HO2' U 40 H2' U 40 -7.997 8.861 0.637 397 H1' U 40 H1' U 40 -6.778 7.742 1.644 398 H3 U 40 H3 U 40 -6.859 3.227 0.742 399 H5 U 40 H5 U 40 -7.352 3.562 4.923 400 H6 U 40 H6 U 40 -7.630 5.940 4.650 401 H5' C 41 H5' C 41 -10.866 9.525 0.382 402 H5'' C 41 H5'' C 41 -12.595 9.828 0.142 403 H4' C 41 H4' C 41 -11.664 8.699 -1.813 404 H3' C 41 H3' C 41 -13.412 6.815 -0.201 405 H2' C 41 H2'' C 41 -13.033 5.227 -1.873 406 HO2' C 41 H2' C 41 -11.929 7.239 -3.556 407 H1' C 41 H1' C 41 -10.387 5.946 -2.401 408 H41 C 41 H41 C 41 -10.067 0.686 1.207 409 H42 C 41 H42 C 41 -10.285 1.655 2.646 410 H5 C 41 H5 C 41 -10.797 3.993 2.581 411 H6 C 41 H6 C 41 -11.215 5.931 1.133 412 H5' U 42 H5' U 42 -14.690 6.416 -4.098 413 H5'' U 42 H5'' U 42 -16.446 6.439 -4.330 414 H4' U 42 H4' U 42 -15.495 4.436 -5.352 415 H3' U 42 H3' U 42 -17.002 3.726 -2.814 416 H2' U 42 H2'' U 42 -16.541 1.497 -3.292 417 HO2' U 42 H2' U 42 -15.606 2.081 -5.896 418 H1' U 42 H1' U 42 -14.012 1.935 -4.431 419 H3 U 42 H3 U 42 -13.300 -0.759 -0.800 420 H5 U 42 H5 U 42 -13.837 3.101 0.791 421 H6 U 42 H6 U 42 -14.571 3.826 -1.400 422 H5' G 43 H5' G 43 -18.369 1.157 -5.781 423 H5'' G 43 H5'' G 43 -20.120 0.893 -5.809 424 H4' G 43 H4' G 43 -18.951 -1.245 -5.721 425 H3' G 43 H3' G 43 -20.270 -0.646 -3.051 426 H2' G 43 H2'' G 43 -19.532 -2.733 -2.350 427 HO2' G 43 H2' G 43 -18.581 -3.707 -4.747 428 H1' G 43 H1' G 43 -17.137 -2.737 -3.806 429 H8 G 43 H8 G 43 -17.657 0.460 -1.783 430 H1 G 43 H1 G 43 -15.285 -4.381 1.653 431 H21 G 43 H21 G 43 -15.437 -6.287 0.495 432 H22 G 43 H22 G 43 -16.115 -6.346 -1.117 433 H5' C 44 H5' C 44 -21.328 -4.496 -4.171 434 H5'' C 44 H5'' C 44 -23.026 -4.933 -3.924 435 H4' C 44 H4' C 44 -21.556 -6.595 -2.889 436 H3' C 44 H3' C 44 -22.937 -4.910 -0.772 437 H2' C 44 H2'' C 44 -21.905 -6.261 0.816 438 HO2' C 44 H2' C 44 -20.981 -8.304 0.264 439 H1' C 44 H1' C 44 -19.534 -6.694 -0.632 440 H41 C 44 H41 C 44 -18.049 -2.552 3.987 441 H42 C 44 H42 C 44 -18.687 -1.236 3.028 442 H5 C 44 H5 C 44 -19.842 -1.575 0.934 443 H6 C 44 H6 C 44 -20.682 -3.252 -0.641 444 H5' C 45 H5' C 45 -23.382 -8.858 0.319 445 H5'' C 45 H5'' C 45 -25.022 -9.337 0.788 446 H4' C 45 H4' C 45 -23.429 -10.024 2.511 447 H3' C 45 H3' C 45 -25.143 -7.677 3.369 448 HO3' C 45 H3T C 45 -26.084 -9.500 4.595 449 H2' C 45 H2'' C 45 -24.085 -7.703 5.427 450 HO2' C 45 H2' C 45 -23.578 -10.442 4.851 451 H1' C 45 H1' C 45 -21.595 -8.747 4.480 452 H41 C 45 H41 C 45 -20.420 -2.668 6.158 453 H42 C 45 H42 C 45 -21.164 -2.136 4.673 454 H5 C 45 H5 C 45 -22.278 -3.596 3.140 455 H6 C 45 H6 C 45 -22.960 -5.900 2.686 Start of MODEL 8 1 H1 DAB 1 H DAB 1 -3.175 -8.966 -1.711 2 HA DAB 1 HA DAB 1 -3.781 -8.030 -4.476 3 HB2 DAB 1 HB2 DAB 1 -3.638 -6.382 -1.939 4 HB3 DAB 1 HB3 DAB 1 -4.049 -5.792 -3.550 5 HG2 DAB 1 HG2 DAB 1 -5.615 -7.786 -1.891 6 HG3 DAB 1 HG3 DAB 1 -6.113 -6.152 -2.328 7 HD1 DAB 1 HD1 DAB 1 -6.987 -6.983 -4.166 8 HD2 DAB 1 HD2 DAB 1 -6.411 -8.538 -3.796 9 HD3 DAB 1 HD3 DAB 1 -5.442 -7.461 -4.683 10 H VAL 2 H VAL 2 -2.268 -6.689 -5.489 11 HA VAL 2 HA VAL 2 0.383 -6.552 -4.246 12 HB VAL 2 HB VAL 2 1.481 -7.265 -6.186 13 HG11 VAL 2 HG11 VAL 2 -0.013 -8.977 -4.883 14 HG12 VAL 2 HG12 VAL 2 0.711 -9.459 -6.417 15 HG13 VAL 2 HG13 VAL 2 -0.984 -8.975 -6.355 16 HG21 VAL 2 HG21 VAL 2 0.012 -7.732 -8.287 17 HG22 VAL 2 HG22 VAL 2 0.442 -6.060 -7.933 18 HG23 VAL 2 HG23 VAL 2 -1.163 -6.665 -7.518 19 H ARG 3 H ARG 3 1.427 -4.578 -4.330 20 HA ARG 3 HA ARG 3 0.378 -2.629 -6.318 21 HB2 ARG 3 HB2 ARG 3 0.945 -1.672 -3.536 22 HB3 ARG 3 HB3 ARG 3 -0.091 -0.990 -4.760 23 HG2 ARG 3 HG2 ARG 3 -0.806 -3.619 -3.493 24 HG3 ARG 3 HG3 ARG 3 -1.138 -2.113 -2.673 25 HD2 ARG 3 HD2 ARG 3 -2.126 -2.850 -5.441 26 HD3 ARG 3 HD3 ARG 3 -3.090 -2.861 -3.976 27 HE ARG 3 HE ARG 3 -2.194 -0.502 -5.447 28 HH11 ARG 3 HH11 ARG 3 -3.092 1.449 -4.727 29 HH12 ARG 3 HH12 ARG 3 -4.023 1.484 -3.265 30 HH21 ARG 3 HH21 ARG 3 -3.595 -1.895 -2.614 31 HH22 ARG 3 HH22 ARG 3 -4.312 -0.416 -2.070 32 H THR 4 H THR 4 1.841 -0.993 -6.838 33 HA THR 4 HA THR 4 4.483 -1.245 -5.658 34 HB THR 4 HB THR 4 3.923 -1.309 -8.623 35 HG1 THR 4 HG1 THR 4 5.473 -3.122 -7.147 36 HG21 THR 4 HG21 THR 4 5.856 0.094 -8.290 37 HG22 THR 4 HG22 THR 4 6.434 -1.491 -8.805 38 HG23 THR 4 HG23 THR 4 6.527 -1.028 -7.107 39 H ARG 5 H ARG 5 5.716 0.588 -5.585 40 HA ARG 5 HA ARG 5 4.523 3.021 -6.652 41 HB2 ARG 5 HB2 ARG 5 5.537 3.525 -3.976 42 HB3 ARG 5 HB3 ARG 5 3.942 3.860 -4.638 43 HG2 ARG 5 HG2 ARG 5 3.532 1.282 -4.255 44 HG3 ARG 5 HG3 ARG 5 4.877 1.425 -3.120 45 HD2 ARG 5 HD2 ARG 5 2.155 2.674 -3.046 46 HD3 ARG 5 HD3 ARG 5 3.074 1.949 -1.742 47 HE ARG 5 HE ARG 5 4.124 4.417 -2.849 48 HH11 ARG 5 HH11 ARG 5 4.220 6.148 -1.371 49 HH12 ARG 5 HH12 ARG 5 3.504 5.975 0.211 50 HH21 ARG 5 HH21 ARG 5 2.438 2.726 -0.355 51 HH22 ARG 5 HH22 ARG 5 2.536 4.024 0.792 52 H LYS 6 H LYS 6 6.119 3.674 -7.979 53 HA LYS 6 HA LYS 6 8.308 3.814 -8.809 54 HB2 LYS 6 HB2 LYS 6 7.714 5.717 -6.651 55 HB3 LYS 6 HB3 LYS 6 9.434 5.520 -6.959 56 HG2 LYS 6 HG2 LYS 6 9.139 6.035 -9.312 57 HG3 LYS 6 HG3 LYS 6 7.386 6.054 -9.117 58 HD2 LYS 6 HD2 LYS 6 8.097 7.896 -7.230 59 HD3 LYS 6 HD3 LYS 6 9.405 8.125 -8.391 60 HE2 LYS 6 HE2 LYS 6 7.609 9.641 -8.971 61 HE3 LYS 6 HE1 LYS 6 7.653 8.378 -10.203 62 HZ1 LYS 6 HZ1 LYS 6 5.871 7.238 -9.064 63 HZ2 LYS 6 HZ2 LYS 6 5.400 8.832 -9.410 64 HZ3 LYS 6 HZ3 LYS 6 5.854 8.402 -7.827 65 H GLY 7 H GLY 7 8.953 1.582 -8.399 66 HA2 GLY 7 HA2 GLY 7 10.714 0.199 -7.824 67 HA3 GLY 7 HA3 GLY 7 11.365 1.478 -6.808 68 H ARG 8 H ARG 8 8.918 1.813 -5.306 69 HA ARG 8 HA ARG 8 9.316 -0.235 -3.317 70 HB2 ARG 8 HB2 ARG 8 7.141 1.879 -3.428 71 HB3 ARG 8 HB3 ARG 8 7.586 0.944 -2.029 72 HG2 ARG 8 HG2 ARG 8 9.299 2.346 -1.485 73 HG3 ARG 8 HG3 ARG 8 9.910 2.336 -3.145 74 HD2 ARG 8 HD2 ARG 8 9.274 4.598 -2.478 75 HD3 ARG 8 HD3 ARG 8 8.233 4.043 -3.768 76 HE ARG 8 HE ARG 8 6.425 4.120 -2.284 77 HH11 ARG 8 HH11 ARG 8 5.499 4.641 -0.286 78 HH12 ARG 8 HH12 ARG 8 6.516 4.962 1.077 79 HH21 ARG 8 HH21 ARG 8 9.466 4.467 -0.696 80 HH22 ARG 8 HH22 ARG 8 8.780 4.867 0.842 81 H ARG 9 H ARG 9 8.813 -2.118 -4.536 82 HA ARG 9 HA ARG 9 6.097 -2.539 -5.466 83 HB2 ARG 9 HB2 ARG 9 7.149 -4.984 -5.679 84 HB3 ARG 9 HB3 ARG 9 7.430 -3.738 -6.896 85 HG2 ARG 9 HG2 ARG 9 9.569 -3.215 -6.027 86 HG3 ARG 9 HG3 ARG 9 9.253 -4.071 -4.516 87 HD2 ARG 9 HD2 ARG 9 9.807 -6.101 -5.412 88 HD3 ARG 9 HD3 ARG 9 8.995 -5.760 -6.936 89 HE ARG 9 HE ARG 9 11.783 -5.415 -6.384 90 HH11 ARG 9 HH11 ARG 9 13.052 -4.487 -8.025 91 HH12 ARG 9 HH12 ARG 9 12.287 -3.646 -9.332 92 HH21 ARG 9 HH21 ARG 9 9.073 -4.168 -8.138 93 HH22 ARG 9 HH22 ARG 9 10.034 -3.466 -9.397 94 H ILE 10 H ILE 10 4.606 -2.714 -3.834 95 HA ILE 10 HA ILE 10 5.402 -4.478 -1.571 96 HB ILE 10 HB ILE 10 4.110 -3.139 -0.104 97 HG12 ILE 10 HG12 ILE 10 2.948 -2.030 -2.644 98 HG13 ILE 10 HG13 ILE 10 2.101 -2.575 -1.198 99 HG21 ILE 10 HG21 ILE 10 5.284 -1.106 -1.987 100 HG22 ILE 10 HG22 ILE 10 6.318 -2.238 -1.111 101 HG23 ILE 10 HG23 ILE 10 5.302 -1.109 -0.221 102 HD11 ILE 10 HD11 ILE 10 3.692 -0.054 -1.600 103 HD12 ILE 10 HD12 ILE 10 3.240 -0.626 0.005 104 HD13 ILE 10 HD13 ILE 10 1.985 -0.187 -1.165 105 H 4J5 11 H NOR 11 4.324 -6.264 -1.301 106 HA 4J5 11 HA NOR 11 1.765 -6.550 -2.683 107 HD 4J5 11 HD NOR 11 4.249 -10.238 -3.796 108 HB2 4J5 11 HB2 NOR 11 3.181 -8.927 -1.596 109 HB3 4J5 11 HB3 NOR 11 2.154 -8.786 -3.026 110 HG2 4J5 11 HG2 NOR 11 4.046 -7.300 -3.998 111 HG3 4J5 11 HG3 NOR 11 5.051 -7.938 -2.705 112 HH11 4J5 11 HH11 NOR 11 5.100 -7.248 -5.348 113 HH12 4J5 11 HH12 NOR 11 5.654 -8.010 -6.798 114 HH21 4J5 11 HH21 NOR 11 4.989 -11.220 -5.698 115 HH22 4J5 11 HH22 NOR 11 5.594 -10.248 -6.996 116 H ILE 12 H ILE 12 -0.052 -6.904 -1.664 117 HA ILE 12 HA ILE 12 0.076 -7.240 1.273 118 HB ILE 12 HB ILE 12 -2.363 -6.115 -0.029 119 HG12 ILE 12 HG12 ILE 12 0.357 -4.858 -0.064 120 HG13 ILE 12 HG13 ILE 12 -1.000 -4.623 -1.164 121 HG21 ILE 12 HG21 ILE 12 -0.874 -5.212 2.447 122 HG22 ILE 12 HG22 ILE 12 -1.969 -6.596 2.475 123 HG23 ILE 12 HG23 ILE 12 -2.582 -4.996 2.058 124 HD11 ILE 12 HD11 ILE 12 -0.831 -2.579 0.006 125 HD12 ILE 12 HD12 ILE 12 -0.529 -3.387 1.545 126 HD13 ILE 12 HD13 ILE 12 -2.142 -3.429 0.825 127 HA DPR 13 HA DPR 13 -2.282 -10.919 1.439 128 HB2 DPR 13 HB2 DPR 13 -0.312 -11.998 2.035 129 HB3 DPR 13 HB3 DPR 13 -0.581 -12.795 0.472 130 HG2 DPR 13 HG2 DPR 13 1.659 -11.397 1.101 131 HG3 DPR 13 HG3 DPR 13 1.065 -11.615 -0.552 132 HD2 DPR 13 HD2 DPR 13 1.210 -9.169 0.997 133 HD3 DPR 13 HD3 DPR 13 0.722 -9.387 -0.696 134 HA PRO 14 HA PRO 14 -3.809 -12.197 -2.600 135 HB2 PRO 14 HB2 PRO 14 -6.305 -11.136 -2.496 136 HB3 PRO 14 HB3 PRO 14 -5.828 -12.555 -1.544 137 HG2 PRO 14 HG2 PRO 14 -6.098 -9.716 -0.698 138 HG3 PRO 14 HG3 PRO 14 -6.545 -11.198 0.162 139 HD2 PRO 14 HD2 PRO 14 -4.236 -9.773 0.669 140 HD3 PRO 14 HD3 PRO 14 -4.424 -11.511 0.994 141 H5' G 17 H5' G 17 -15.410 -2.136 15.885 142 H5'' G 17 H5'' G 17 -13.811 -2.824 15.553 143 H4' G 17 H4' G 17 -15.456 -4.571 15.341 144 H3' G 17 H3' G 17 -14.375 -3.659 12.649 145 H2' G 17 H2'' G 17 -15.628 -5.405 11.682 146 HO2' G 17 H2' G 17 -16.659 -6.997 13.096 147 H1' G 17 H1' G 17 -17.854 -5.119 13.294 148 H8 G 17 H8 G 17 -16.784 -1.641 12.376 149 H1 G 17 H1 G 17 -19.824 -4.705 7.629 150 H21 G 17 H21 G 17 -20.018 -6.840 8.100 151 H22 G 17 H22 G 17 -19.405 -7.532 9.585 152 HO5' G 17 H5T G 17 -15.357 -1.044 14.045 153 H5' G 18 H5' G 18 -14.036 -7.723 12.725 154 H5'' G 18 H5'' G 18 -12.488 -8.363 12.146 155 H4' G 18 H4' G 18 -14.345 -9.381 10.926 156 H3' G 18 H3' G 18 -12.762 -7.447 9.179 157 H2' G 18 H2'' G 18 -14.136 -8.148 7.400 158 HO2' G 18 H2' G 18 -15.029 -10.285 9.061 159 H1' G 18 H1' G 18 -16.470 -8.352 8.868 160 H8 G 18 H8 G 18 -14.684 -5.111 9.713 161 H1 G 18 H1 G 18 -17.954 -4.880 4.208 162 H21 G 18 H21 G 18 -18.591 -6.922 3.612 163 H22 G 18 H22 G 18 -18.221 -8.336 4.574 164 H5' C 19 H5' C 19 -13.059 -11.000 7.107 165 H5'' C 19 H5'' C 19 -11.583 -11.532 6.284 166 H4' C 19 H4' C 19 -13.463 -11.418 4.716 167 H3' C 19 H3' C 19 -11.432 -9.205 4.180 168 H2' C 19 H2'' C 19 -12.743 -8.643 2.311 169 HO2' C 19 H2' C 19 -14.447 -10.861 2.545 170 H1' C 19 H1' C 19 -15.203 -9.156 3.503 171 H41 C 19 H41 C 19 -14.495 -2.846 3.529 172 H42 C 19 H42 C 19 -13.571 -2.940 5.013 173 H5 C 19 H5 C 19 -12.909 -5.034 6.022 174 H6 C 19 H6 C 19 -12.956 -7.469 5.785 175 H5' A 20 H5' A 20 -12.178 -11.002 0.566 176 H5'' A 20 H5'' A 20 -10.741 -11.343 -0.413 177 H4' A 20 H4' A 20 -12.366 -10.079 -1.721 178 H3' A 20 H3' A 20 -9.953 -8.369 -0.998 179 H2' A 20 H2'' A 20 -10.914 -6.677 -2.329 180 HO2' A 20 H2' A 20 -12.572 -8.735 -3.391 181 H1' A 20 H1' A 20 -13.545 -7.147 -1.615 182 H8 A 20 H8 A 20 -11.352 -7.182 1.478 183 H61 A 20 H61 A 20 -12.101 -1.038 1.526 184 H62 A 20 H62 A 20 -11.556 -2.425 2.441 185 H2 A 20 H2 A 20 -13.556 -2.583 -2.403 186 H5' G 21 H5' G 21 -10.558 -8.081 -5.068 187 H5'' G 21 H5'' G 21 -9.094 -8.105 -6.065 188 H4' G 21 H4' G 21 -10.426 -6.119 -6.538 189 H3' G 21 H3' G 21 -7.858 -5.415 -5.066 190 H2' G 21 H2'' G 21 -8.475 -3.170 -5.279 191 HO2' G 21 H2' G 21 -10.099 -4.109 -7.419 192 H1' G 21 H1' G 21 -11.248 -3.577 -5.097 193 H8 G 21 H8 G 21 -9.306 -5.274 -2.304 194 H1 G 21 H1 G 21 -10.246 0.972 -1.439 195 H21 G 21 H21 G 21 -11.009 1.916 -3.307 196 H22 G 21 H22 G 21 -11.285 0.985 -4.761 197 H5' A 22 H5' A 22 -8.243 -2.821 -8.110 198 H5'' A 22 H5'' A 22 -6.808 -2.608 -9.134 199 H4' A 22 H4' A 22 -7.566 -0.433 -8.316 200 H3' A 22 H3' A 22 -4.981 -1.388 -7.056 201 H2' A 22 H2'' A 22 -4.907 0.615 -5.834 202 HO2' A 22 H2' A 22 -6.862 2.032 -7.203 203 H1' A 22 H1' A 22 -7.735 1.068 -5.755 204 H8 A 22 H8 A 22 -6.655 -2.262 -4.287 205 H61 A 22 H61 A 22 -5.999 0.708 1.078 206 H62 A 22 H62 A 22 -6.069 -0.846 0.277 207 H2 A 22 H2 A 22 -6.522 3.785 -2.167 208 H5' U 23 H5' U 23 -1.028 0.437 -9.036 209 H5'' U 23 H5'' U 23 -1.443 0.036 -7.360 210 H4' U 23 H4' U 23 -1.148 2.892 -8.335 211 H3' U 23 H3' U 23 0.950 0.918 -7.680 212 H2' U 23 H2'' U 23 1.359 1.700 -5.567 213 HO2' U 23 H2' U 23 2.518 3.352 -7.127 214 H1' U 23 H1' U 23 -0.352 4.158 -5.889 215 H3 U 23 H3 U 23 0.059 4.348 -1.389 216 H5 U 23 H5 U 23 -1.465 0.526 -2.094 217 H6 U 23 H6 U 23 -1.202 0.922 -4.457 218 H5' C 24 H5' C 24 2.969 3.425 -12.062 219 H5'' C 24 H5'' C 24 4.629 3.014 -11.607 220 H4' C 24 H4' C 24 3.491 5.575 -10.549 221 H3' C 24 H3' C 24 3.375 5.341 -13.332 222 H2' C 24 H2'' C 24 5.674 5.051 -13.709 223 HO2' C 24 H2' C 24 6.611 7.268 -13.915 224 H1' C 24 H1' C 24 6.416 6.961 -11.498 225 H41 C 24 H41 C 24 11.932 3.918 -12.736 226 H42 C 24 H42 C 24 11.233 2.442 -12.108 227 H5 C 24 H5 C 24 8.946 2.256 -11.415 228 H6 C 24 H6 C 24 6.815 3.432 -11.176 229 H5' U 25 H5' U 25 1.678 5.094 -11.993 230 H5'' U 25 H5'' U 25 -0.019 5.444 -12.242 231 H4' U 25 H4' U 25 0.244 3.949 -10.356 232 H3' U 25 H3' U 25 -1.120 6.444 -10.078 233 H2' U 25 H2'' U 25 0.376 7.375 -8.531 234 HO2' U 25 H2' U 25 -0.158 6.208 -6.344 235 H1' U 25 H1' U 25 1.075 4.614 -7.516 236 H3 U 25 H3 U 25 5.708 6.216 -7.592 237 H5 U 25 H5 U 25 3.140 8.523 -5.202 238 H6 U 25 H6 U 25 1.263 7.438 -6.273 239 H5' G 26 H5' G 26 -4.900 7.008 -7.848 240 H5'' G 26 H5'' G 26 -3.463 8.008 -8.120 241 H4' G 26 H4' G 26 -4.609 8.771 -6.150 242 H3' G 26 H3' G 26 -2.040 7.310 -5.484 243 H2' G 26 H2'' G 26 -2.415 7.724 -3.251 244 HO2' G 26 H2' G 26 -3.917 9.937 -4.215 245 H1' G 26 H1' G 26 -5.249 7.797 -3.400 246 H8 G 26 H8 G 26 -4.381 4.447 -4.677 247 H1 G 26 H1 G 26 -3.412 5.084 1.617 248 H21 G 26 H21 G 26 -3.463 7.266 2.173 249 H22 G 26 H22 G 26 -3.731 8.512 0.975 250 H5' A 27 H5' A 27 -2.109 10.941 -3.485 251 H5'' A 27 H5'' A 27 -0.598 11.850 -3.551 252 H4' A 27 H4' A 27 -1.431 11.742 -1.262 253 H3' A 27 H3' A 27 1.068 10.020 -1.585 254 H2' A 27 H2'' A 27 0.963 9.725 0.755 255 HO2' A 27 H2' A 27 -0.322 11.025 2.092 256 H1' A 27 H1' A 27 -1.790 9.524 0.909 257 H8 A 27 H8 A 27 -0.565 7.387 -1.968 258 H61 A 27 H61 A 27 0.505 3.093 2.416 259 H62 A 27 H62 A 27 0.402 3.401 0.675 260 H2 A 27 H2 A 27 -0.327 6.984 4.427 261 H5' G 28 H5' G 28 1.653 12.613 1.595 262 H5'' G 28 H5'' G 28 3.291 13.263 1.736 263 H4' G 28 H4' G 28 2.601 12.231 3.834 264 H3' G 28 H3' G 28 4.719 10.520 2.458 265 H2' G 28 H2'' G 28 4.670 9.190 4.397 266 HO2' G 28 H2' G 28 3.921 9.902 6.354 267 H1' G 28 H1' G 28 1.931 9.433 4.856 268 H8 G 28 H8 G 28 2.745 8.626 1.228 269 H1 G 28 H1 G 28 2.934 3.542 5.082 270 H21 G 28 H21 G 28 2.842 4.155 7.207 271 H22 G 28 H22 G 28 2.723 5.832 7.685 272 H5' C 29 H5' C 29 5.935 10.933 6.324 273 H5'' C 29 H5'' C 29 7.654 11.305 6.540 274 H4' C 29 H4' C 29 7.050 9.322 7.836 275 H3' C 29 H3' C 29 8.776 8.627 5.434 276 H2' C 29 H2'' C 29 8.722 6.400 6.140 277 HO2' C 29 H2' C 29 7.719 6.920 8.708 278 H1' C 29 H1' C 29 6.185 6.552 7.461 279 H41 C 29 H41 C 29 5.276 2.621 2.562 280 H42 C 29 H42 C 29 5.116 4.001 1.495 281 H5 C 29 H5 C 29 5.529 6.259 2.189 282 H6 C 29 H6 C 29 6.191 7.693 4.053 283 H5' C 30 H5' C 30 10.363 6.780 8.695 284 H5'' C 30 H5'' C 30 12.080 7.143 8.964 285 H4' C 30 H4' C 30 11.764 4.735 9.062 286 H3' C 30 H3' C 30 13.519 5.917 7.098 287 H2' C 30 H2'' C 30 12.619 4.948 5.196 288 HO2' C 30 H2' C 30 13.371 2.946 4.827 289 H1' C 30 H1' C 30 11.203 2.760 6.675 290 H41 C 30 H41 C 30 7.186 2.985 1.790 291 H42 C 30 H42 C 30 7.666 4.623 1.423 292 H5 C 30 H5 C 30 9.243 5.852 2.646 293 H6 C 30 H6 C 30 10.752 5.828 4.530 294 H5' U 31 H5' U 31 14.895 3.183 5.791 295 H5'' U 31 H5'' U 31 16.659 3.017 5.875 296 H4' U 31 H4' U 31 15.652 3.587 3.592 297 H3' U 31 H3' U 31 18.131 4.392 4.537 298 H2' U 31 H2'' U 31 17.698 6.621 5.100 299 HO2' U 31 H2' U 31 18.608 7.632 3.487 300 H1' U 31 H1' U 31 15.558 7.091 3.105 301 H3 U 31 H3 U 31 13.859 10.499 5.500 302 H5 U 31 H5 U 31 15.447 7.985 8.484 303 H6 U 31 H6 U 31 16.127 6.444 6.737 304 H5' G 32 H5' G 32 17.475 2.114 1.604 305 H5'' G 32 H5'' G 32 18.488 1.534 0.268 306 H4' G 32 H4' G 32 16.191 1.130 -0.293 307 H3' G 32 H3' G 32 17.755 2.574 -2.062 308 H2' G 32 H2'' G 32 16.889 4.704 -1.591 309 HO2' G 32 H2' G 32 16.245 4.575 -3.688 310 H1' G 32 H1' G 32 14.102 3.659 -1.168 311 H8 G 32 H8 G 32 16.925 5.659 0.657 312 H1 G 32 H1 G 32 11.107 8.357 0.659 313 H21 G 32 H21 G 32 9.657 7.036 -0.383 314 H22 G 32 H22 G 32 10.122 5.498 -1.075 315 H5' G 33 H5' G 33 17.043 -0.648 -3.769 316 H5'' G 33 H5'' G 33 16.421 -1.352 -5.273 317 H4' G 33 H4' G 33 16.028 -2.922 -3.531 318 H3' G 33 H3' G 33 13.850 -2.018 -5.004 319 H2' G 33 H2'' G 33 12.884 -0.667 -3.347 320 HO2' G 33 H2' G 33 11.290 -2.185 -3.503 321 H1' G 33 H1' G 33 13.755 -2.508 -1.125 322 H8 G 33 H8 G 33 13.804 1.181 -2.394 323 H1 G 33 H1 G 33 12.886 0.398 3.905 324 H21 G 33 H21 G 33 13.019 -1.758 4.427 325 H22 G 33 H22 G 33 13.325 -2.995 3.229 326 H5' G 34 H5' G 34 13.252 -4.698 -1.604 327 H5'' G 34 H5'' G 34 12.795 -6.315 -2.164 328 H4' G 34 H4' G 34 12.085 -6.045 0.132 329 H3' G 34 H3' G 34 10.247 -6.751 -1.904 330 H2' G 34 H2'' G 34 8.939 -4.845 -1.806 331 HO2' G 34 H2' G 34 7.940 -5.634 0.679 332 H1' G 34 H1' G 34 9.500 -4.460 1.126 333 H8 G 34 H8 G 34 8.675 -2.749 -2.255 334 H1 G 34 H1 G 34 8.785 1.199 2.741 335 H21 G 34 H21 G 34 9.499 0.154 4.575 336 H22 G 34 H22 G 34 9.975 -1.530 4.566 337 H5' A 35 H5' A 35 6.803 -8.653 -1.464 338 H5'' A 35 H5'' A 35 6.998 -6.998 -0.842 339 H4' A 35 H4' A 35 4.703 -7.654 -0.490 340 H3' A 35 H3' A 35 6.263 -6.857 1.668 341 H2' A 35 H2'' A 35 6.574 -8.879 2.682 342 HO2' A 35 H2' A 35 5.394 -8.433 4.356 343 H1' A 35 H1' A 35 3.918 -9.941 1.841 344 H8 A 35 H8 A 35 7.591 -10.713 2.360 345 H61 A 35 H61 A 35 6.031 -16.667 1.931 346 H62 A 35 H62 A 35 7.320 -15.543 2.301 347 H2 A 35 H2 A 35 2.451 -14.190 0.888 348 H5' G 36 H5' G 36 5.803 -6.672 3.895 349 H5'' G 36 H5'' G 36 4.129 -6.907 4.429 350 H4' G 36 H4' G 36 5.494 -6.617 6.373 351 H3' G 36 H3' G 36 3.598 -4.440 5.669 352 H2' G 36 H2'' G 36 4.593 -2.773 6.932 353 HO2' G 36 H2' G 36 6.342 -3.814 8.540 354 H1' G 36 H1' G 36 7.220 -3.421 6.814 355 H8 G 36 H8 G 36 6.098 -4.140 3.306 356 H1 G 36 H1 G 36 6.672 2.158 4.676 357 H21 G 36 H21 G 36 6.869 2.432 6.873 358 H22 G 36 H22 G 36 6.857 1.084 7.985 359 H5' C 37 H5' C 37 3.763 -3.914 9.694 360 H5'' C 37 H5'' C 37 2.179 -3.953 10.499 361 H4' C 37 H4' C 37 3.307 -1.827 10.957 362 H3' C 37 H3' C 37 0.982 -1.507 9.001 363 H2' C 37 H2'' C 37 1.362 0.835 9.228 364 HO2' C 37 H2' C 37 2.585 1.708 10.862 365 H1' C 37 H1' C 37 4.116 0.651 9.136 366 H41 C 37 H41 C 37 2.352 2.041 3.200 367 H42 C 37 H42 C 37 2.097 0.345 2.857 368 H5 C 37 H5 C 37 2.240 -1.375 4.556 369 H6 C 37 H6 C 37 2.638 -1.814 6.936 370 H5' U 38 H5' U 38 0.248 1.271 11.882 371 H5'' U 38 H5'' U 38 -1.448 1.407 12.380 372 H4' U 38 H4' U 38 -0.604 3.559 11.559 373 H3' U 38 H3' U 38 -2.593 2.330 9.599 374 H2' U 38 H2'' U 38 -2.358 4.304 8.344 375 HO2' U 38 H2' U 38 -1.147 5.490 10.633 376 H1' U 38 H1' U 38 0.352 4.714 8.906 377 H3 U 38 H3 U 38 0.009 4.261 4.365 378 H5 U 38 H5 U 38 -0.237 0.330 5.892 379 H6 U 38 H6 U 38 -0.422 1.275 8.113 380 H5' C 39 H5' C 39 -3.717 6.182 10.371 381 H5'' C 39 H5'' C 39 -5.461 6.504 10.429 382 H4' C 39 H4' C 39 -4.331 7.885 8.724 383 H3' C 39 H3' C 39 -6.150 5.784 7.459 384 H2' C 39 H2'' C 39 -5.565 6.731 5.389 385 HO2' C 39 H2' C 39 -4.442 9.011 6.660 386 H1' C 39 H1' C 39 -2.954 7.515 6.143 387 H41 C 39 H41 C 39 -2.527 2.755 1.940 388 H42 C 39 H42 C 39 -2.911 1.586 3.184 389 H5 C 39 H5 C 39 -3.509 2.207 5.433 390 H6 C 39 H6 C 39 -3.920 4.087 6.947 391 H5' U 40 H5' U 40 -7.009 9.344 5.625 392 H5'' U 40 H5'' U 40 -8.727 9.769 5.525 393 H4' U 40 H4' U 40 -7.686 9.881 3.306 394 H3' U 40 H3' U 40 -9.603 7.530 3.586 395 H2' U 40 H2'' U 40 -9.216 7.092 1.300 396 HO2' U 40 H2' U 40 -8.127 8.660 -0.039 397 H1' U 40 H1' U 40 -6.520 7.758 1.297 398 H3 U 40 H3 U 40 -6.771 3.244 0.325 399 H5 U 40 H5 U 40 -7.156 3.544 4.522 400 H6 U 40 H6 U 40 -7.329 5.945 4.280 401 H5' C 41 H5' C 41 -10.770 9.623 0.166 402 H5'' C 41 H5'' C 41 -12.519 9.868 0.008 403 H4' C 41 H4' C 41 -11.629 8.779 -1.991 404 H3' C 41 H3' C 41 -13.290 6.850 -0.309 405 H2' C 41 H2'' C 41 -12.967 5.293 -2.056 406 HO2' C 41 H2' C 41 -12.771 7.576 -3.569 407 H1' C 41 H1' C 41 -10.343 6.005 -2.608 408 H41 C 41 H41 C 41 -9.941 0.781 0.984 409 H42 C 41 H42 C 41 -10.100 1.753 2.431 410 H5 C 41 H5 C 41 -10.615 4.095 2.383 411 H6 C 41 H6 C 41 -11.040 6.033 0.943 412 H5' U 42 H5' U 42 -14.774 6.514 -4.127 413 H5'' U 42 H5'' U 42 -16.542 6.484 -4.235 414 H4' U 42 H4' U 42 -15.582 4.520 -5.339 415 H3' U 42 H3' U 42 -16.960 3.757 -2.725 416 H2' U 42 H2'' U 42 -16.506 1.519 -3.305 417 HO2' U 42 H2' U 42 -16.424 0.843 -5.323 418 H1' U 42 H1' U 42 -14.008 2.010 -4.441 419 H3 U 42 H3 U 42 -13.247 -0.660 -0.807 420 H5 U 42 H5 U 42 -13.763 3.216 0.766 421 H6 U 42 H6 U 42 -14.504 3.933 -1.427 422 H5' G 43 H5' G 43 -18.475 1.265 -5.652 423 H5'' G 43 H5'' G 43 -20.221 0.985 -5.567 424 H4' G 43 H4' G 43 -19.022 -1.137 -5.585 425 H3' G 43 H3' G 43 -20.222 -0.582 -2.840 426 H2' G 43 H2'' G 43 -19.436 -2.701 -2.213 427 HO2' G 43 H2' G 43 -19.302 -3.209 -5.006 428 H1' G 43 H1' G 43 -17.093 -2.632 -3.716 429 H8 G 43 H8 G 43 -17.579 0.566 -1.713 430 H1 G 43 H1 G 43 -15.180 -4.275 1.706 431 H21 G 43 H21 G 43 -15.361 -6.187 0.557 432 H22 G 43 H22 G 43 -16.058 -6.244 -1.046 433 H5' C 44 H5' C 44 -21.377 -4.386 -3.977 434 H5'' C 44 H5'' C 44 -23.062 -4.801 -3.626 435 H4' C 44 H4' C 44 -21.560 -6.480 -2.694 436 H3' C 44 H3' C 44 -22.818 -4.788 -0.495 437 H2' C 44 H2'' C 44 -21.737 -6.222 1.026 438 HO2' C 44 H2' C 44 -20.603 -8.126 -0.399 439 H1' C 44 H1' C 44 -19.423 -6.596 -0.490 440 H41 C 44 H41 C 44 -17.887 -2.455 4.100 441 H42 C 44 H42 C 44 -18.565 -1.144 3.159 442 H5 C 44 H5 C 44 -19.758 -1.489 1.089 443 H6 C 44 H6 C 44 -20.588 -3.169 -0.489 444 H5' C 45 H5' C 45 -23.332 -8.719 0.524 445 H5'' C 45 H5'' C 45 -24.971 -9.137 1.056 446 H4' C 45 H4' C 45 -23.343 -9.874 2.720 447 H3' C 45 H3' C 45 -24.961 -7.471 3.617 448 HO3' C 45 H3T C 45 -25.869 -9.678 3.159 449 H2' C 45 H2'' C 45 -23.861 -7.550 5.665 450 HO2' C 45 H2' C 45 -23.126 -10.246 5.049 451 H1' C 45 H1' C 45 -21.420 -8.629 4.663 452 H41 C 45 H41 C 45 -20.171 -2.546 6.300 453 H42 C 45 H42 C 45 -20.947 -2.019 4.830 454 H5 C 45 H5 C 45 -22.073 -3.482 3.318 455 H6 C 45 H6 C 45 -22.761 -5.786 2.881 Start of MODEL 9 1 H1 DAB 1 H DAB 1 -3.120 -9.005 -1.280 2 HA DAB 1 HA DAB 1 -3.784 -8.114 -4.039 3 HB2 DAB 1 HB2 DAB 1 -3.520 -5.981 -2.045 4 HB3 DAB 1 HB3 DAB 1 -4.805 -6.282 -3.206 5 HG2 DAB 1 HG2 DAB 1 -5.557 -8.185 -1.674 6 HG3 DAB 1 HG3 DAB 1 -4.450 -7.531 -0.471 7 HD1 DAB 1 HD1 DAB 1 -6.828 -6.233 -1.666 8 HD2 DAB 1 HD2 DAB 1 -5.638 -5.348 -0.836 9 HD3 DAB 1 HD3 DAB 1 -6.516 -6.556 -0.028 10 H VAL 2 H VAL 2 -2.331 -6.941 -5.206 11 HA VAL 2 HA VAL 2 0.340 -6.572 -4.004 12 HB VAL 2 HB VAL 2 0.546 -8.343 -5.531 13 HG11 VAL 2 HG11 VAL 2 -0.270 -8.174 -7.851 14 HG12 VAL 2 HG12 VAL 2 -0.901 -6.563 -7.514 15 HG13 VAL 2 HG13 VAL 2 -1.597 -7.968 -6.707 16 HG21 VAL 2 HG21 VAL 2 2.142 -6.292 -5.640 17 HG22 VAL 2 HG22 VAL 2 1.350 -5.948 -7.178 18 HG23 VAL 2 HG23 VAL 2 2.217 -7.467 -6.952 19 H ARG 3 H ARG 3 1.357 -4.634 -4.242 20 HA ARG 3 HA ARG 3 0.139 -2.687 -6.102 21 HB2 ARG 3 HB2 ARG 3 0.880 -1.725 -3.387 22 HB3 ARG 3 HB3 ARG 3 -0.303 -1.108 -4.498 23 HG2 ARG 3 HG2 ARG 3 -0.727 -3.769 -3.138 24 HG3 ARG 3 HG3 ARG 3 -1.057 -2.278 -2.306 25 HD2 ARG 3 HD2 ARG 3 -2.473 -1.676 -4.413 26 HD3 ARG 3 HD3 ARG 3 -2.415 -3.399 -4.740 27 HE ARG 3 HE ARG 3 -3.744 -3.779 -2.846 28 HH11 ARG 3 HH11 ARG 3 -5.145 -3.015 -1.241 29 HH12 ARG 3 HH12 ARG 3 -5.189 -1.322 -0.872 30 HH21 ARG 3 HH21 ARG 3 -2.794 -0.479 -3.222 31 HH22 ARG 3 HH22 ARG 3 -3.864 0.112 -1.999 32 H THR 4 H THR 4 1.539 -0.993 -6.707 33 HA THR 4 HA THR 4 4.312 -1.375 -5.854 34 HB THR 4 HB THR 4 3.432 -0.635 -8.645 35 HG1 THR 4 HG1 THR 4 4.807 -2.956 -8.320 36 HG21 THR 4 HG21 THR 4 5.967 -1.412 -8.943 37 HG22 THR 4 HG22 THR 4 6.066 -0.832 -7.279 38 HG23 THR 4 HG23 THR 4 5.539 0.255 -8.562 39 H ARG 5 H ARG 5 5.330 0.418 -5.109 40 HA ARG 5 HA ARG 5 3.910 2.958 -5.433 41 HB2 ARG 5 HB2 ARG 5 6.069 2.425 -3.434 42 HB3 ARG 5 HB3 ARG 5 4.770 3.600 -3.356 43 HG2 ARG 5 HG2 ARG 5 4.269 0.615 -3.330 44 HG3 ARG 5 HG3 ARG 5 4.507 1.548 -1.861 45 HD2 ARG 5 HD2 ARG 5 2.297 1.785 -3.883 46 HD3 ARG 5 HD3 ARG 5 2.163 1.504 -2.157 47 HE ARG 5 HE ARG 5 2.594 4.046 -3.456 48 HH11 ARG 5 HH11 ARG 5 2.506 5.854 -2.090 49 HH12 ARG 5 HH12 ARG 5 2.553 5.635 -0.360 50 HH21 ARG 5 HH21 ARG 5 2.726 2.171 -0.561 51 HH22 ARG 5 HH22 ARG 5 2.659 3.541 0.502 52 H LYS 6 H LYS 6 4.878 4.579 -6.497 53 HA LYS 6 HA LYS 6 6.951 4.337 -8.232 54 HB2 LYS 6 HB2 LYS 6 5.475 6.286 -8.125 55 HB3 LYS 6 HB3 LYS 6 6.232 6.763 -6.611 56 HG2 LYS 6 HG2 LYS 6 7.702 7.977 -7.866 57 HG3 LYS 6 HG3 LYS 6 8.401 6.447 -8.368 58 HD2 LYS 6 HD2 LYS 6 7.890 7.512 -10.402 59 HD3 LYS 6 HD3 LYS 6 6.552 6.397 -10.173 60 HE2 LYS 6 HE2 LYS 6 5.904 8.749 -10.873 61 HE3 LYS 6 HE1 LYS 6 5.107 8.149 -9.420 62 HZ1 LYS 6 HZ1 LYS 6 6.528 10.470 -9.643 63 HZ2 LYS 6 HZ2 LYS 6 7.597 9.422 -8.842 64 HZ3 LYS 6 HZ3 LYS 6 6.048 9.722 -8.193 65 H GLY 7 H GLY 7 8.465 2.968 -7.151 66 HA2 GLY 7 HA2 GLY 7 10.872 3.898 -6.568 67 HA3 GLY 7 HA3 GLY 7 10.069 4.185 -5.034 68 H ARG 8 H ARG 8 8.427 1.952 -4.975 69 HA ARG 8 HA ARG 8 10.124 -0.395 -5.206 70 HB2 ARG 8 HB2 ARG 8 9.303 -0.805 -2.648 71 HB3 ARG 8 HB3 ARG 8 10.868 -0.120 -3.068 72 HG2 ARG 8 HG2 ARG 8 10.096 1.454 -1.528 73 HG3 ARG 8 HG3 ARG 8 9.551 2.172 -3.032 74 HD2 ARG 8 HD2 ARG 8 7.377 0.763 -2.647 75 HD3 ARG 8 HD3 ARG 8 7.941 0.640 -0.992 76 HE ARG 8 HE ARG 8 7.765 3.355 -2.080 77 HH11 ARG 8 HH11 ARG 8 6.362 4.702 -1.011 78 HH12 ARG 8 HH12 ARG 8 5.254 4.059 0.154 79 HH21 ARG 8 HH21 ARG 8 6.351 0.785 -0.259 80 HH22 ARG 8 HH22 ARG 8 5.243 1.817 0.578 81 H ARG 9 H ARG 9 8.940 -2.388 -4.564 82 HA ARG 9 HA ARG 9 6.135 -2.138 -5.317 83 HB2 ARG 9 HB2 ARG 9 7.497 -3.434 -6.903 84 HB3 ARG 9 HB3 ARG 9 7.936 -4.530 -5.596 85 HG2 ARG 9 HG2 ARG 9 5.497 -5.048 -5.275 86 HG3 ARG 9 HG3 ARG 9 5.134 -4.066 -6.694 87 HD2 ARG 9 HD2 ARG 9 6.052 -5.590 -8.156 88 HD3 ARG 9 HD3 ARG 9 7.207 -6.195 -6.975 89 HE ARG 9 HE ARG 9 4.399 -7.008 -7.231 90 HH11 ARG 9 HH11 ARG 9 3.914 -8.941 -6.154 91 HH12 ARG 9 HH12 ARG 9 5.078 -9.647 -5.083 92 HH21 ARG 9 HH21 ARG 9 7.439 -7.159 -5.573 93 HH22 ARG 9 HH22 ARG 9 7.073 -8.642 -4.760 94 H ILE 10 H ILE 10 4.546 -2.782 -3.979 95 HA ILE 10 HA ILE 10 5.363 -4.366 -1.617 96 HB ILE 10 HB ILE 10 3.925 -3.076 -0.221 97 HG12 ILE 10 HG12 ILE 10 2.994 -1.786 -2.797 98 HG13 ILE 10 HG13 ILE 10 2.023 -2.819 -1.738 99 HG21 ILE 10 HG21 ILE 10 5.345 -1.309 -0.114 100 HG22 ILE 10 HG22 ILE 10 4.823 -0.703 -1.687 101 HG23 ILE 10 HG23 ILE 10 6.091 -1.922 -1.587 102 HD11 ILE 10 HD11 ILE 10 3.202 -0.120 -1.037 103 HD12 ILE 10 HD12 ILE 10 2.326 -1.158 0.086 104 HD13 ILE 10 HD13 ILE 10 1.497 -0.474 -1.311 105 H 4J5 11 H NOR 11 3.482 -5.428 -0.517 106 HA 4J5 11 HA NOR 11 1.206 -5.988 -2.164 107 HD 4J5 11 HD NOR 11 2.818 -10.683 -2.330 108 HB2 4J5 11 HB2 NOR 11 2.244 -7.659 -3.329 109 HB3 4J5 11 HB3 NOR 11 3.492 -7.849 -2.109 110 HG2 4J5 11 HG2 NOR 11 2.050 -9.167 -0.701 111 HG3 4J5 11 HG3 NOR 11 0.653 -8.819 -1.709 112 HH11 4J5 11 HH11 NOR 11 -0.083 -9.022 -3.241 113 HH12 4J5 11 HH12 NOR 11 -0.479 -10.134 -4.506 114 HH21 4J5 11 HH21 NOR 11 2.292 -12.146 -3.962 115 HH22 4J5 11 HH22 NOR 11 0.867 -11.903 -4.916 116 H ILE 12 H ILE 12 -0.493 -6.582 -1.034 117 HA ILE 12 HA ILE 12 -0.050 -7.206 1.822 118 HB ILE 12 HB ILE 12 -2.776 -6.508 1.395 119 HG12 ILE 12 HG12 ILE 12 -1.795 -5.471 -0.768 120 HG13 ILE 12 HG13 ILE 12 -2.726 -4.404 0.273 121 HG21 ILE 12 HG21 ILE 12 -1.663 -6.024 3.455 122 HG22 ILE 12 HG22 ILE 12 -2.031 -4.456 2.730 123 HG23 ILE 12 HG23 ILE 12 -0.395 -5.110 2.634 124 HD11 ILE 12 HD11 ILE 12 0.193 -4.575 0.827 125 HD12 ILE 12 HD12 ILE 12 -0.886 -3.184 0.892 126 HD13 ILE 12 HD13 ILE 12 -0.279 -3.761 -0.660 127 HA DPR 13 HA DPR 13 -1.993 -11.133 1.799 128 HB2 DPR 13 HB2 DPR 13 -0.341 -12.774 1.621 129 HB3 DPR 13 HB3 DPR 13 0.477 -11.941 0.275 130 HG2 DPR 13 HG2 DPR 13 0.576 -11.386 3.189 131 HG3 DPR 13 HG3 DPR 13 1.849 -11.258 1.963 132 HD2 DPR 13 HD2 DPR 13 0.316 -9.127 2.955 133 HD3 DPR 13 HD3 DPR 13 1.300 -9.095 1.478 134 HA PRO 14 HA PRO 14 -3.488 -12.292 -2.250 135 HB2 PRO 14 HB2 PRO 14 -6.035 -11.332 -2.079 136 HB3 PRO 14 HB3 PRO 14 -5.481 -12.794 -1.240 137 HG2 PRO 14 HG2 PRO 14 -5.879 -10.042 -0.182 138 HG3 PRO 14 HG3 PRO 14 -6.230 -11.608 0.570 139 HD2 PRO 14 HD2 PRO 14 -4.006 -10.109 1.172 140 HD3 PRO 14 HD3 PRO 14 -4.076 -11.878 1.331 141 H5' G 17 H5' G 17 -15.443 -2.330 15.849 142 H5'' G 17 H5'' G 17 -13.796 -2.898 15.517 143 H4' G 17 H4' G 17 -15.327 -4.758 15.294 144 H3' G 17 H3' G 17 -14.274 -3.780 12.618 145 H2' G 17 H2'' G 17 -15.448 -5.515 11.586 146 HO2' G 17 H2' G 17 -15.237 -6.712 14.113 147 H1' G 17 H1' G 17 -17.687 -5.428 13.214 148 H8 G 17 H8 G 17 -16.791 -1.874 12.374 149 H1 G 17 H1 G 17 -19.787 -4.954 7.611 150 H21 G 17 H21 G 17 -19.874 -7.099 8.021 151 H22 G 17 H22 G 17 -19.201 -7.811 9.471 152 HO5' G 17 H5T G 17 -13.714 -1.439 14.033 153 H5' G 18 H5' G 18 -13.876 -7.848 12.581 154 H5'' G 18 H5'' G 18 -12.303 -8.458 12.028 155 H4' G 18 H4' G 18 -14.112 -9.487 10.748 156 H3' G 18 H3' G 18 -12.557 -7.489 9.052 157 H2' G 18 H2'' G 18 -13.891 -8.166 7.250 158 HO2' G 18 H2' G 18 -15.062 -10.302 8.671 159 H1' G 18 H1' G 18 -16.237 -8.507 8.703 160 H8 G 18 H8 G 18 -14.562 -5.211 9.593 161 H1 G 18 H1 G 18 -17.926 -4.989 4.152 162 H21 G 18 H21 G 18 -18.489 -7.036 3.516 163 H22 G 18 H22 G 18 -18.042 -8.458 4.431 164 H5' C 19 H5' C 19 -12.855 -10.981 6.889 165 H5'' C 19 H5'' C 19 -11.375 -11.514 6.062 166 H4' C 19 H4' C 19 -13.238 -11.375 4.480 167 H3' C 19 H3' C 19 -11.223 -9.140 3.987 168 H2' C 19 H2'' C 19 -12.542 -8.519 2.154 169 HO2' C 19 H2' C 19 -14.411 -10.400 1.948 170 H1' C 19 H1' C 19 -15.012 -9.163 3.307 171 H41 C 19 H41 C 19 -14.593 -2.820 3.512 172 H42 C 19 H42 C 19 -13.649 -2.920 4.982 173 H5 C 19 H5 C 19 -12.891 -5.010 5.920 174 H6 C 19 H6 C 19 -12.798 -7.432 5.593 175 H5' A 20 H5' A 20 -12.043 -10.870 0.347 176 H5'' A 20 H5'' A 20 -10.631 -11.203 -0.676 177 H4' A 20 H4' A 20 -12.283 -9.915 -1.927 178 H3' A 20 H3' A 20 -9.863 -8.212 -1.223 179 H2' A 20 H2'' A 20 -10.844 -6.487 -2.459 180 HO2' A 20 H2' A 20 -12.080 -8.602 -3.792 181 H1' A 20 H1' A 20 -13.490 -7.033 -1.767 182 H8 A 20 H8 A 20 -11.209 -7.020 1.287 183 H61 A 20 H61 A 20 -12.183 -0.923 1.452 184 H62 A 20 H62 A 20 -11.553 -2.304 2.321 185 H2 A 20 H2 A 20 -13.738 -2.461 -2.441 186 H5' G 21 H5' G 21 -10.617 -7.793 -5.310 187 H5'' G 21 H5'' G 21 -9.177 -7.792 -6.348 188 H4' G 21 H4' G 21 -10.530 -5.805 -6.767 189 H3' G 21 H3' G 21 -7.963 -5.081 -5.300 190 H2' G 21 H2'' G 21 -8.613 -2.841 -5.486 191 HO2' G 21 H2' G 21 -10.801 -3.149 -7.139 192 H1' G 21 H1' G 21 -11.380 -3.306 -5.269 193 H8 G 21 H8 G 21 -9.356 -5.008 -2.525 194 H1 G 21 H1 G 21 -10.480 1.178 -1.455 195 H21 G 21 H21 G 21 -11.276 2.153 -3.275 196 H22 G 21 H22 G 21 -11.533 1.274 -4.764 197 H5' A 22 H5' A 22 -8.408 -2.380 -8.213 198 H5'' A 22 H5'' A 22 -6.999 -2.131 -9.264 199 H4' A 22 H4' A 22 -7.778 0.022 -8.390 200 H3' A 22 H3' A 22 -5.150 -0.924 -7.206 201 H2' A 22 H2'' A 22 -5.081 0.983 -5.882 202 HO2' A 22 H2' A 22 -6.319 2.911 -6.512 203 H1' A 22 H1' A 22 -7.933 1.458 -5.815 204 H8 A 22 H8 A 22 -6.823 -1.896 -4.434 205 H61 A 22 H61 A 22 -6.231 0.948 1.006 206 H62 A 22 H62 A 22 -6.260 -0.589 0.169 207 H2 A 22 H2 A 22 -6.805 4.083 -2.171 208 H5' U 23 H5' U 23 -1.152 1.065 -9.227 209 H5'' U 23 H5'' U 23 -1.463 0.454 -7.592 210 H4' U 23 H4' U 23 -1.321 3.400 -8.288 211 H3' U 23 H3' U 23 0.826 1.511 -7.375 212 H2' U 23 H2'' U 23 1.447 2.878 -5.644 213 HO2' U 23 H2' U 23 2.094 4.475 -7.228 214 H1' U 23 H1' U 23 -0.906 4.610 -5.706 215 H3 U 23 H3 U 23 0.120 4.229 -1.299 216 H5 U 23 H5 U 23 -1.433 0.492 -2.340 217 H6 U 23 H6 U 23 -1.440 1.208 -4.651 218 H5' C 24 H5' C 24 3.808 5.304 -9.347 219 H5'' C 24 H5'' C 24 2.126 5.501 -9.861 220 H4' C 24 H4' C 24 3.443 6.902 -11.263 221 H3' C 24 H3' C 24 1.867 4.905 -12.399 222 H2' C 24 H2'' C 24 3.562 3.448 -13.063 223 HO2' C 24 H2' C 24 3.983 5.455 -15.044 224 H1' C 24 H1' C 24 5.504 5.677 -13.618 225 H41 C 24 H41 C 24 9.283 0.546 -13.288 226 H42 C 24 H42 C 24 8.952 0.410 -11.576 227 H5 C 24 H5 C 24 7.366 1.814 -10.422 228 H6 C 24 H6 C 24 5.739 3.624 -10.666 229 H5' U 25 H5' U 25 -0.267 5.011 -12.493 230 H5'' U 25 H5'' U 25 -1.433 6.313 -12.240 231 H4' U 25 H4' U 25 -0.965 4.319 -10.446 232 H3' U 25 H3' U 25 -2.473 6.714 -10.316 233 H2' U 25 H2'' U 25 -0.979 7.951 -9.010 234 HO2' U 25 H2' U 25 -1.853 6.110 -7.009 235 H1' U 25 H1' U 25 0.053 5.480 -7.644 236 H3 U 25 H3 U 25 2.928 9.641 -9.344 237 H5 U 25 H5 U 25 3.525 7.659 -5.655 238 H6 U 25 H6 U 25 1.705 6.191 -6.235 239 H5' G 26 H5' G 26 -5.610 7.692 -7.676 240 H5'' G 26 H5'' G 26 -4.017 8.315 -8.150 241 H4' G 26 H4' G 26 -4.778 9.473 -6.168 242 H3' G 26 H3' G 26 -2.531 7.529 -5.517 243 H2' G 26 H2'' G 26 -2.585 8.295 -3.320 244 HO2' G 26 H2' G 26 -3.356 10.273 -2.748 245 H1' G 26 H1' G 26 -5.336 8.654 -3.165 246 H8 G 26 H8 G 26 -5.333 5.293 -4.541 247 H1 G 26 H1 G 26 -2.915 5.402 1.398 248 H21 G 26 H21 G 26 -2.376 7.510 1.951 249 H22 G 26 H22 G 26 -2.635 8.854 0.862 250 H5' A 27 H5' A 27 -1.723 11.048 -3.652 251 H5'' A 27 H5'' A 27 -0.130 11.747 -3.992 252 H4' A 27 H4' A 27 -0.627 11.832 -1.592 253 H3' A 27 H3' A 27 1.548 9.766 -2.149 254 H2' A 27 H2'' A 27 1.715 9.534 0.176 255 HO2' A 27 H2' A 27 0.806 11.055 1.617 256 H1' A 27 H1' A 27 -1.009 9.811 0.710 257 H8 A 27 H8 A 27 -0.399 7.330 -2.127 258 H61 A 27 H61 A 27 0.257 3.130 2.384 259 H62 A 27 H62 A 27 0.109 3.395 0.655 260 H2 A 27 H2 A 27 0.156 7.192 4.260 261 H5' G 28 H5' G 28 2.776 12.364 0.880 262 H5'' G 28 H5'' G 28 4.497 12.795 0.885 263 H4' G 28 H4' G 28 3.815 11.924 3.064 264 H3' G 28 H3' G 28 5.605 9.905 1.646 265 H2' G 28 H2'' G 28 5.469 8.620 3.593 266 HO2' G 28 H2' G 28 4.666 11.045 4.861 267 H1' G 28 H1' G 28 2.833 9.342 4.249 268 H8 G 28 H8 G 28 3.244 8.177 0.632 269 H1 G 28 H1 G 28 2.782 3.399 4.849 270 H21 G 28 H21 G 28 2.961 4.164 6.906 271 H22 G 28 H22 G 28 3.196 5.861 7.255 272 H5' C 29 H5' C 29 6.879 10.293 5.473 273 H5'' C 29 H5'' C 29 8.623 10.519 5.718 274 H4' C 29 H4' C 29 7.792 8.706 7.134 275 H3' C 29 H3' C 29 9.524 7.675 4.860 276 H2' C 29 H2'' C 29 9.229 5.527 5.697 277 HO2' C 29 H2' C 29 8.749 5.135 7.894 278 H1' C 29 H1' C 29 6.676 5.997 6.919 279 H41 C 29 H41 C 29 5.619 1.851 2.274 280 H42 C 29 H42 C 29 5.593 3.161 1.117 281 H5 C 29 H5 C 29 6.149 5.424 1.665 282 H6 C 29 H6 C 29 6.865 6.926 3.457 283 H5' C 30 H5' C 30 10.688 5.626 8.018 284 H5'' C 30 H5'' C 30 12.308 6.022 8.628 285 H4' C 30 H4' C 30 11.985 3.598 8.617 286 H3' C 30 H3' C 30 13.912 4.654 6.533 287 H2' C 30 H2'' C 30 14.347 2.496 5.823 288 HO2' C 30 H2' C 30 14.060 0.677 7.124 289 H1' C 30 H1' C 30 11.784 1.413 6.401 290 H41 C 30 H41 C 30 12.168 1.672 0.088 291 H42 C 30 H42 C 30 11.481 3.279 0.132 292 H5 C 30 H5 C 30 11.128 4.507 2.173 293 H6 C 30 H6 C 30 11.283 4.410 4.601 294 H5' U 31 H5' U 31 18.665 4.029 7.938 295 H5'' U 31 H5'' U 31 18.031 4.022 6.280 296 H4' U 31 H4' U 31 19.789 2.359 6.519 297 H3' U 31 H3' U 31 17.038 1.157 6.205 298 H2' U 31 H2'' U 31 17.951 -0.950 6.386 299 HO2' U 31 H2' U 31 20.627 -0.390 6.070 300 H1' U 31 H1' U 31 20.210 -0.247 7.966 301 H3 U 31 H3 U 31 18.116 -3.646 10.182 302 H5 U 31 H5 U 31 15.717 -0.246 10.854 303 H6 U 31 H6 U 31 17.057 0.931 9.200 304 H5' G 32 H5' G 32 19.498 -0.942 3.826 305 H5'' G 32 H5'' G 32 19.074 -0.927 2.102 306 H4' G 32 H4' G 32 19.506 -3.220 2.786 307 H3' G 32 H3' G 32 17.098 -2.492 1.554 308 H2' G 32 H2'' G 32 15.693 -2.685 3.413 309 HO2' G 32 H2' G 32 16.047 -5.475 3.023 310 H1' G 32 H1' G 32 17.281 -4.963 4.572 311 H8 G 32 H8 G 32 15.785 -1.435 5.345 312 H1 G 32 H1 G 32 15.330 -5.754 10.061 313 H21 G 32 H21 G 32 16.310 -7.651 9.452 314 H22 G 32 H22 G 32 17.078 -7.851 7.893 315 H5' G 33 H5' G 33 14.469 -4.366 -0.833 316 H5'' G 33 H5'' G 33 14.612 -3.438 0.673 317 H4' G 33 H4' G 33 12.381 -4.297 0.557 318 H3' G 33 H3' G 33 14.022 -4.919 2.738 319 H2' G 33 H2'' G 33 14.389 -7.166 2.267 320 HO2' G 33 H2' G 33 13.006 -8.361 3.479 321 H1' G 33 H1' G 33 11.682 -7.552 1.008 322 H8 G 33 H8 G 33 15.522 -7.961 0.423 323 H1 G 33 H1 G 33 11.820 -12.702 -1.803 324 H21 G 33 H21 G 33 9.680 -12.224 -1.449 325 H22 G 33 H22 G 33 9.165 -10.746 -0.670 326 H5' G 34 H5' G 34 9.238 -4.473 4.564 327 H5'' G 34 H5'' G 34 8.789 -5.824 5.624 328 H4' G 34 H4' G 34 8.082 -7.069 3.890 329 H3' G 34 H3' G 34 10.754 -6.976 3.135 330 H2' G 34 H2'' G 34 10.654 -5.146 1.714 331 HO2' G 34 H2' G 34 10.118 -5.918 -0.459 332 H1' G 34 H1' G 34 7.900 -5.825 0.730 333 H8 G 34 H8 G 34 6.754 -3.637 -0.153 334 H1 G 34 H1 G 34 11.638 -0.064 1.873 335 H21 G 34 H21 G 34 13.002 -1.260 3.138 336 H22 G 34 H22 G 34 12.719 -2.951 3.480 337 H5' A 35 H5' A 35 7.812 -11.372 3.060 338 H5'' A 35 H5'' A 35 7.505 -11.603 1.325 339 H4' A 35 H4' A 35 7.581 -8.909 2.712 340 H3' A 35 H3' A 35 5.453 -10.691 2.966 341 H2' A 35 H2'' A 35 4.774 -10.698 0.726 342 HO2' A 35 H2' A 35 2.960 -9.631 0.868 343 H1' A 35 H1' A 35 5.536 -7.816 0.345 344 H8 A 35 H8 A 35 6.141 -7.387 -2.162 345 H61 A 35 H61 A 35 5.377 -12.556 -5.545 346 H62 A 35 H62 A 35 5.671 -10.833 -5.615 347 H2 A 35 H2 A 35 5.041 -13.625 -1.207 348 H5' G 36 H5' G 36 5.885 -8.163 5.880 349 H5'' G 36 H5'' G 36 4.460 -8.260 6.936 350 H4' G 36 H4' G 36 5.980 -6.641 7.843 351 H3' G 36 H3' G 36 3.609 -5.295 6.524 352 H2' G 36 H2'' G 36 4.465 -3.249 7.154 353 HO2' G 36 H2' G 36 5.612 -4.742 9.244 354 H1' G 36 H1' G 36 7.194 -3.973 7.056 355 H8 G 36 H8 G 36 5.607 -4.818 3.729 356 H1 G 36 H1 G 36 6.975 1.427 4.431 357 H21 G 36 H21 G 36 7.481 1.880 6.524 358 H22 G 36 H22 G 36 7.488 0.660 7.777 359 H5' C 37 H5' C 37 4.062 -3.544 10.240 360 H5'' C 37 H5'' C 37 2.563 -3.487 11.187 361 H4' C 37 H4' C 37 3.619 -1.290 11.183 362 H3' C 37 H3' C 37 1.150 -1.316 9.393 363 H2' C 37 H2'' C 37 1.500 0.987 9.111 364 HO2' C 37 H2' C 37 2.595 2.245 10.544 365 H1' C 37 H1' C 37 4.311 0.869 9.123 366 H41 C 37 H41 C 37 2.639 1.714 3.053 367 H42 C 37 H42 C 37 2.351 0.001 2.864 368 H5 C 37 H5 C 37 2.455 -1.562 4.739 369 H6 C 37 H6 C 37 2.823 -1.769 7.156 370 H5' U 38 H5' U 38 0.586 1.953 11.889 371 H5'' U 38 H5'' U 38 -1.058 2.096 12.540 372 H4' U 38 H4' U 38 -0.411 4.169 11.442 373 H3' U 38 H3' U 38 -2.459 2.688 9.740 374 H2' U 38 H2'' U 38 -2.393 4.515 8.293 375 HO2' U 38 H2' U 38 -0.908 6.208 9.939 376 H1' U 38 H1' U 38 0.332 5.147 8.712 377 H3 U 38 H3 U 38 -0.099 4.380 4.242 378 H5 U 38 H5 U 38 -0.125 0.553 6.025 379 H6 U 38 H6 U 38 -0.327 1.638 8.180 380 H5' C 39 H5' C 39 -3.667 6.611 10.227 381 H5'' C 39 H5'' C 39 -5.404 6.883 10.467 382 H4' C 39 H4' C 39 -4.520 8.246 8.618 383 H3' C 39 H3' C 39 -6.384 6.071 7.569 384 H2' C 39 H2'' C 39 -6.024 6.960 5.445 385 HO2' C 39 H2' C 39 -5.407 9.092 5.097 386 H1' C 39 H1' C 39 -3.387 7.878 5.943 387 H41 C 39 H41 C 39 -2.874 3.062 1.827 388 H42 C 39 H42 C 39 -3.054 1.897 3.119 389 H5 C 39 H5 C 39 -3.565 2.532 5.405 390 H6 C 39 H6 C 39 -4.054 4.422 6.907 391 H5' U 40 H5' U 40 -7.325 9.513 5.725 392 H5'' U 40 H5'' U 40 -9.040 9.966 5.666 393 H4' U 40 H4' U 40 -8.055 10.038 3.419 394 H3' U 40 H3' U 40 -9.972 7.698 3.756 395 H2' U 40 H2'' U 40 -9.610 7.208 1.497 396 HO2' U 40 H2' U 40 -9.493 8.770 0.088 397 H1' U 40 H1' U 40 -6.917 7.985 1.416 398 H3 U 40 H3 U 40 -6.989 3.513 0.323 399 H5 U 40 H5 U 40 -7.418 3.670 4.526 400 H6 U 40 H6 U 40 -7.722 6.061 4.350 401 H5' C 41 H5' C 41 -11.140 9.779 0.299 402 H5'' C 41 H5'' C 41 -12.888 10.050 0.142 403 H4' C 41 H4' C 41 -12.038 8.969 -1.869 404 H3' C 41 H3' C 41 -13.674 7.020 -0.191 405 H2' C 41 H2'' C 41 -13.334 5.453 -1.894 406 HO2' C 41 H2' C 41 -12.557 7.636 -3.567 407 H1' C 41 H1' C 41 -10.736 6.244 -2.554 408 H41 C 41 H41 C 41 -10.081 0.966 0.958 409 H42 C 41 H42 C 41 -10.253 1.910 2.420 410 H5 C 41 H5 C 41 -10.825 4.243 2.415 411 H6 C 41 H6 C 41 -11.380 6.179 1.012 412 H5' U 42 H5' U 42 -15.134 6.640 -4.033 413 H5'' U 42 H5'' U 42 -16.904 6.604 -4.166 414 H4' U 42 H4' U 42 -15.936 4.641 -5.255 415 H3' U 42 H3' U 42 -17.311 3.863 -2.650 416 H2' U 42 H2'' U 42 -16.806 1.643 -3.186 417 HO2' U 42 H2' U 42 -15.801 1.502 -5.551 418 H1' U 42 H1' U 42 -14.344 2.173 -4.421 419 H3 U 42 H3 U 42 -13.404 -0.545 -0.865 420 H5 U 42 H5 U 42 -13.971 3.280 0.799 421 H6 U 42 H6 U 42 -14.821 4.015 -1.349 422 H5' G 43 H5' G 43 -18.729 1.306 -5.612 423 H5'' G 43 H5'' G 43 -20.473 0.981 -5.552 424 H4' G 43 H4' G 43 -19.224 -1.114 -5.572 425 H3' G 43 H3' G 43 -20.443 -0.614 -2.826 426 H2' G 43 H2'' G 43 -19.606 -2.705 -2.207 427 HO2' G 43 H2' G 43 -18.793 -3.499 -4.756 428 H1' G 43 H1' G 43 -17.271 -2.579 -3.747 429 H8 G 43 H8 G 43 -17.839 0.564 -1.661 430 H1 G 43 H1 G 43 -15.172 -4.235 1.615 431 H21 G 43 H21 G 43 -15.298 -6.129 0.435 432 H22 G 43 H22 G 43 -16.030 -6.189 -1.153 433 H5' C 44 H5' C 44 -21.424 -4.472 -3.998 434 H5'' C 44 H5'' C 44 -23.096 -4.968 -3.671 435 H4' C 44 H4' C 44 -21.524 -6.598 -2.748 436 H3' C 44 H3' C 44 -22.860 -4.997 -0.528 437 H2' C 44 H2'' C 44 -21.719 -6.373 0.980 438 HO2' C 44 H2' C 44 -21.158 -8.156 -1.180 439 H1' C 44 H1' C 44 -19.396 -6.666 -0.563 440 H41 C 44 H41 C 44 -17.912 -2.556 4.077 441 H42 C 44 H42 C 44 -18.642 -1.252 3.168 442 H5 C 44 H5 C 44 -19.852 -1.598 1.109 443 H6 C 44 H6 C 44 -20.683 -3.278 -0.470 444 H5' C 45 H5' C 45 -23.156 -8.981 0.478 445 H5'' C 45 H5'' C 45 -24.766 -9.505 1.009 446 H4' C 45 H4' C 45 -23.084 -10.186 2.644 447 H3' C 45 H3' C 45 -24.819 -7.901 3.615 448 HO3' C 45 H3T C 45 -24.997 -10.641 3.406 449 H2' C 45 H2'' C 45 -23.682 -7.952 5.640 450 HO2' C 45 H2' C 45 -23.621 -9.920 6.451 451 H1' C 45 H1' C 45 -21.204 -8.880 4.574 452 H41 C 45 H41 C 45 -20.184 -2.788 6.300 453 H42 C 45 H42 C 45 -21.007 -2.262 4.857 454 H5 C 45 H5 C 45 -22.113 -3.742 3.341 455 H6 C 45 H6 C 45 -22.728 -6.064 2.876 Start of MODEL 10 1 H1 DAB 1 H DAB 1 -3.345 -9.322 -2.037 2 HA DAB 1 HA DAB 1 -3.900 -8.131 -4.703 3 HB2 DAB 1 HB2 DAB 1 -3.668 -6.691 -2.058 4 HB3 DAB 1 HB3 DAB 1 -4.238 -6.030 -3.589 5 HG2 DAB 1 HG2 DAB 1 -5.568 -8.203 -1.951 6 HG3 DAB 1 HG3 DAB 1 -6.161 -6.559 -2.197 7 HD1 DAB 1 HD1 DAB 1 -5.622 -7.741 -4.691 8 HD2 DAB 1 HD2 DAB 1 -7.105 -7.188 -4.078 9 HD3 DAB 1 HD3 DAB 1 -6.613 -8.789 -3.794 10 H VAL 2 H VAL 2 -2.373 -6.812 -5.671 11 HA VAL 2 HA VAL 2 0.294 -6.702 -4.420 12 HB VAL 2 HB VAL 2 0.658 -8.368 -5.981 13 HG11 VAL 2 HG11 VAL 2 -0.306 -8.142 -8.348 14 HG12 VAL 2 HG12 VAL 2 -1.313 -6.848 -7.699 15 HG13 VAL 2 HG13 VAL 2 -1.461 -8.486 -7.061 16 HG21 VAL 2 HG21 VAL 2 1.085 -6.036 -7.839 17 HG22 VAL 2 HG22 VAL 2 2.130 -7.427 -7.550 18 HG23 VAL 2 HG23 VAL 2 2.017 -6.143 -6.346 19 H ARG 3 H ARG 3 1.069 -4.681 -4.195 20 HA ARG 3 HA ARG 3 0.229 -2.685 -6.240 21 HB2 ARG 3 HB2 ARG 3 0.024 -2.612 -3.249 22 HB3 ARG 3 HB3 ARG 3 0.392 -1.119 -4.097 23 HG2 ARG 3 HG2 ARG 3 -1.709 -0.900 -4.857 24 HG3 ARG 3 HG3 ARG 3 -1.796 -2.563 -5.397 25 HD2 ARG 3 HD2 ARG 3 -3.363 -2.763 -3.770 26 HD3 ARG 3 HD3 ARG 3 -1.995 -2.905 -2.682 27 HE ARG 3 HE ARG 3 -2.983 -0.205 -3.243 28 HH11 ARG 3 HH11 ARG 3 -3.566 0.959 -1.390 29 HH12 ARG 3 HH12 ARG 3 -3.719 0.140 0.128 30 HH21 ARG 3 HH21 ARG 3 -2.834 -2.951 -1.156 31 HH22 ARG 3 HH22 ARG 3 -3.301 -2.073 0.260 32 H THR 4 H THR 4 1.751 -1.164 -6.767 33 HA THR 4 HA THR 4 4.379 -1.443 -5.500 34 HB THR 4 HB THR 4 5.147 -0.892 -8.011 35 HG1 THR 4 HG1 THR 4 2.570 -1.518 -8.195 36 HG21 THR 4 HG21 THR 4 6.144 -2.756 -7.051 37 HG22 THR 4 HG22 THR 4 5.145 -3.520 -8.287 38 HG23 THR 4 HG23 THR 4 4.598 -3.481 -6.613 39 H ARG 5 H ARG 5 5.721 0.390 -5.551 40 HA ARG 5 HA ARG 5 4.595 2.871 -6.568 41 HB2 ARG 5 HB2 ARG 5 5.323 3.174 -3.725 42 HB3 ARG 5 HB3 ARG 5 3.971 3.847 -4.622 43 HG2 ARG 5 HG2 ARG 5 2.742 1.742 -4.436 44 HG3 ARG 5 HG3 ARG 5 4.111 0.974 -3.642 45 HD2 ARG 5 HD2 ARG 5 2.063 2.143 -2.296 46 HD3 ARG 5 HD3 ARG 5 3.691 1.964 -1.643 47 HE ARG 5 HE ARG 5 3.330 4.363 -3.165 48 HH11 ARG 5 HH11 ARG 5 3.415 6.301 -1.941 49 HH12 ARG 5 HH12 ARG 5 3.289 6.210 -0.201 50 HH21 ARG 5 HH21 ARG 5 2.999 2.746 -0.180 51 HH22 ARG 5 HH22 ARG 5 3.059 4.177 0.802 52 H LYS 6 H LYS 6 6.361 3.432 -7.732 53 HA LYS 6 HA LYS 6 8.609 3.632 -8.268 54 HB2 LYS 6 HB2 LYS 6 7.622 5.572 -6.437 55 HB3 LYS 6 HB3 LYS 6 9.277 5.258 -5.962 56 HG2 LYS 6 HG2 LYS 6 9.661 6.905 -7.549 57 HG3 LYS 6 HG3 LYS 6 9.721 5.494 -8.585 58 HD2 LYS 6 HD2 LYS 6 8.271 7.222 -9.563 59 HD3 LYS 6 HD3 LYS 6 7.348 5.782 -9.196 60 HE2 LYS 6 HE2 LYS 6 6.054 6.855 -7.665 61 HE3 LYS 6 HE1 LYS 6 7.393 7.802 -7.017 62 HZ1 LYS 6 HZ1 LYS 6 5.969 8.298 -9.572 63 HZ2 LYS 6 HZ2 LYS 6 7.316 9.176 -9.026 64 HZ3 LYS 6 HZ3 LYS 6 5.854 9.234 -8.163 65 H GLY 7 H GLY 7 9.015 1.342 -7.759 66 HA2 GLY 7 HA2 GLY 7 10.702 -0.080 -7.059 67 HA3 GLY 7 HA3 GLY 7 11.280 1.177 -5.978 68 H ARG 8 H ARG 8 8.702 1.564 -4.705 69 HA ARG 8 HA ARG 8 8.953 -0.470 -2.708 70 HB2 ARG 8 HB2 ARG 8 6.801 1.649 -2.967 71 HB3 ARG 8 HB3 ARG 8 7.150 0.703 -1.540 72 HG2 ARG 8 HG2 ARG 8 9.167 1.836 -1.101 73 HG3 ARG 8 HG3 ARG 8 9.340 2.373 -2.766 74 HD2 ARG 8 HD2 ARG 8 6.892 3.352 -1.418 75 HD3 ARG 8 HD3 ARG 8 8.399 3.952 -0.733 76 HE ARG 8 HE ARG 8 7.364 4.508 -3.407 77 HH11 ARG 8 HH11 ARG 8 8.469 6.186 -4.483 78 HH12 ARG 8 HH12 ARG 8 9.974 6.766 -3.850 79 HH21 ARG 8 HH21 ARG 8 9.993 4.587 -1.157 80 HH22 ARG 8 HH22 ARG 8 10.836 5.862 -1.971 81 H ARG 9 H ARG 9 8.398 -2.457 -3.401 82 HA ARG 9 HA ARG 9 5.858 -2.892 -4.790 83 HB2 ARG 9 HB2 ARG 9 6.773 -5.329 -4.730 84 HB3 ARG 9 HB3 ARG 9 7.531 -4.166 -5.818 85 HG2 ARG 9 HG2 ARG 9 9.356 -3.804 -4.313 86 HG3 ARG 9 HG3 ARG 9 8.539 -4.674 -3.012 87 HD2 ARG 9 HD2 ARG 9 8.574 -6.723 -4.507 88 HD3 ARG 9 HD3 ARG 9 9.630 -5.823 -5.591 89 HE ARG 9 HE ARG 9 10.491 -5.985 -2.808 90 HH11 ARG 9 HH11 ARG 9 12.492 -7.012 -2.517 91 HH12 ARG 9 HH12 ARG 9 13.214 -7.880 -3.831 92 HH21 ARG 9 HH21 ARG 9 10.631 -7.202 -6.043 93 HH22 ARG 9 HH22 ARG 9 12.160 -7.987 -5.828 94 H ILE 10 H ILE 10 4.186 -2.768 -3.335 95 HA ILE 10 HA ILE 10 4.523 -4.293 -0.805 96 HB ILE 10 HB ILE 10 2.957 -2.827 0.206 97 HG12 ILE 10 HG12 ILE 10 2.253 -2.162 -2.639 98 HG13 ILE 10 HG13 ILE 10 1.196 -2.565 -1.298 99 HG21 ILE 10 HG21 ILE 10 5.233 -1.887 -0.259 100 HG22 ILE 10 HG22 ILE 10 4.007 -0.647 -0.106 101 HG23 ILE 10 HG23 ILE 10 4.586 -1.122 -1.704 102 HD11 ILE 10 HD11 ILE 10 0.906 -0.235 -1.608 103 HD12 ILE 10 HD12 ILE 10 2.644 0.002 -1.832 104 HD13 ILE 10 HD13 ILE 10 2.009 -0.384 -0.235 105 H 4J5 11 H NOR 11 3.537 -6.209 -0.762 106 HA 4J5 11 HA NOR 11 1.150 -6.574 -2.433 107 HD 4J5 11 HD NOR 11 2.689 -6.008 -3.408 108 HB2 4J5 11 HB2 NOR 11 3.172 -8.590 -1.465 109 HB3 4J5 11 HB3 NOR 11 1.624 -9.043 -2.163 110 HG2 4J5 11 HG2 NOR 11 3.893 -8.664 -3.634 111 HG3 4J5 11 HG3 NOR 11 2.263 -8.508 -4.279 112 HH11 4J5 11 HH11 NOR 11 4.757 -8.215 -5.110 113 HH12 4J5 11 HH12 NOR 11 5.648 -6.967 -5.916 114 HH21 4J5 11 HH21 NOR 11 3.874 -4.378 -4.446 115 HH22 4J5 11 HH22 NOR 11 5.149 -4.798 -5.540 116 H ILE 12 H ILE 12 -0.725 -7.043 -1.571 117 HA ILE 12 HA ILE 12 -0.819 -7.483 1.354 118 HB ILE 12 HB ILE 12 -3.388 -6.766 0.196 119 HG12 ILE 12 HG12 ILE 12 -1.797 -5.579 -1.449 120 HG13 ILE 12 HG13 ILE 12 -2.964 -4.571 -0.606 121 HG21 ILE 12 HG21 ILE 12 -3.150 -4.890 1.876 122 HG22 ILE 12 HG22 ILE 12 -1.550 -5.524 2.254 123 HG23 ILE 12 HG23 ILE 12 -2.981 -6.514 2.547 124 HD11 ILE 12 HD11 ILE 12 -0.128 -4.972 0.381 125 HD12 ILE 12 HD12 ILE 12 -1.303 -3.781 0.944 126 HD13 ILE 12 HD13 ILE 12 -0.618 -3.650 -0.669 127 HA DPR 13 HA DPR 13 -2.595 -11.501 1.014 128 HB2 DPR 13 HB2 DPR 13 -0.886 -13.102 1.001 129 HB3 DPR 13 HB3 DPR 13 0.005 -12.278 -0.299 130 HG2 DPR 13 HG2 DPR 13 -0.162 -11.593 2.597 131 HG3 DPR 13 HG3 DPR 13 1.250 -11.641 1.525 132 HD2 DPR 13 HD2 DPR 13 -0.020 -9.327 2.161 133 HD3 DPR 13 HD3 DPR 13 0.801 -9.578 0.601 134 HA PRO 14 HA PRO 14 -3.677 -12.484 -3.239 135 HB2 PRO 14 HB2 PRO 14 -6.250 -11.599 -3.264 136 HB3 PRO 14 HB3 PRO 14 -5.748 -13.079 -2.426 137 HG2 PRO 14 HG2 PRO 14 -6.281 -10.369 -1.320 138 HG3 PRO 14 HG3 PRO 14 -6.714 -11.955 -0.665 139 HD2 PRO 14 HD2 PRO 14 -4.576 -10.492 0.234 140 HD3 PRO 14 HD3 PRO 14 -4.637 -12.265 0.303 141 H5' G 17 H5' G 17 -15.618 -2.165 15.884 142 H5'' G 17 H5'' G 17 -13.983 -2.771 15.568 143 H4' G 17 H4' G 17 -15.542 -4.597 15.343 144 H3' G 17 H3' G 17 -14.466 -3.655 12.661 145 H2' G 17 H2'' G 17 -15.650 -5.418 11.657 146 HO2' G 17 H2' G 17 -16.400 -6.575 14.115 147 H1' G 17 H1' G 17 -17.897 -5.266 13.264 148 H8 G 17 H8 G 17 -16.951 -1.740 12.377 149 H1 G 17 H1 G 17 -19.920 -4.857 7.630 150 H21 G 17 H21 G 17 -20.033 -6.997 8.070 151 H22 G 17 H22 G 17 -19.389 -7.693 9.539 152 HO5' G 17 H5T G 17 -14.106 -1.883 13.496 153 H5' G 18 H5' G 18 -14.070 -7.743 12.713 154 H5'' G 18 H5'' G 18 -12.504 -8.367 12.160 155 H4' G 18 H4' G 18 -14.322 -9.399 10.896 156 H3' G 18 H3' G 18 -12.747 -7.431 9.179 157 H2' G 18 H2'' G 18 -14.084 -8.136 7.373 158 HO2' G 18 H2' G 18 -15.609 -10.059 8.086 159 H1' G 18 H1' G 18 -16.436 -8.422 8.815 160 H8 G 18 H8 G 18 -14.728 -5.131 9.673 161 H1 G 18 H1 G 18 -18.030 -4.964 4.190 162 H21 G 18 H21 G 18 -18.597 -7.020 3.576 163 H22 G 18 H22 G 18 -18.179 -8.429 4.525 164 H5' C 19 H5' C 19 -13.031 -10.995 7.069 165 H5'' C 19 H5'' C 19 -11.549 -11.521 6.249 166 H4' C 19 H4' C 19 -13.415 -11.401 4.671 167 H3' C 19 H3' C 19 -11.394 -9.173 4.152 168 H2' C 19 H2'' C 19 -12.707 -8.586 2.294 169 HO2' C 19 H2' C 19 -13.920 -11.158 2.556 170 H1' C 19 H1' C 19 -15.176 -9.176 3.453 171 H41 C 19 H41 C 19 -14.650 -2.846 3.551 172 H42 C 19 H42 C 19 -13.717 -2.933 5.028 173 H5 C 19 H5 C 19 -12.996 -5.016 6.012 174 H6 C 19 H6 C 19 -12.937 -7.447 5.730 175 H5' A 20 H5' A 20 -12.185 -10.966 0.522 176 H5'' A 20 H5'' A 20 -10.755 -11.303 -0.469 177 H4' A 20 H4' A 20 -12.388 -10.033 -1.763 178 H3' A 20 H3' A 20 -9.974 -8.328 -1.037 179 H2' A 20 H2'' A 20 -10.927 -6.619 -2.343 180 HO2' A 20 H2' A 20 -12.027 -8.754 -3.680 181 H1' A 20 H1' A 20 -13.572 -7.117 -1.660 182 H8 A 20 H8 A 20 -11.331 -7.111 1.423 183 H61 A 20 H61 A 20 -12.217 -0.990 1.495 184 H62 A 20 H62 A 20 -11.627 -2.368 2.395 185 H2 A 20 H2 A 20 -13.712 -2.557 -2.409 186 H5' G 21 H5' G 21 -10.602 -7.977 -5.150 187 H5'' G 21 H5'' G 21 -9.131 -7.996 -6.141 188 H4' G 21 H4' G 21 -10.450 -5.999 -6.609 189 H3' G 21 H3' G 21 -7.908 -5.296 -5.085 190 H2' G 21 H2'' G 21 -8.525 -3.046 -5.302 191 HO2' G 21 H2' G 21 -10.603 -3.577 -7.134 192 H1' G 21 H1' G 21 -11.303 -3.473 -5.165 193 H8 G 21 H8 G 21 -9.365 -5.167 -2.353 194 H1 G 21 H1 G 21 -10.444 1.050 -1.417 195 H21 G 21 H21 G 21 -11.174 2.006 -3.280 196 H22 G 21 H22 G 21 -11.408 1.095 -4.753 197 H5' A 22 H5' A 22 -8.273 -2.651 -8.098 198 H5'' A 22 H5'' A 22 -6.838 -2.407 -9.115 199 H4' A 22 H4' A 22 -7.642 -0.255 -8.289 200 H3' A 22 H3' A 22 -5.031 -1.162 -7.018 201 H2' A 22 H2'' A 22 -4.994 0.795 -5.766 202 HO2' A 22 H2' A 22 -5.120 2.457 -7.106 203 H1' A 22 H1' A 22 -7.837 1.245 -5.735 204 H8 A 22 H8 A 22 -6.716 -2.091 -4.289 205 H61 A 22 H61 A 22 -6.197 0.834 1.112 206 H62 A 22 H62 A 22 -6.212 -0.711 0.292 207 H2 A 22 H2 A 22 -6.787 3.933 -2.110 208 H5' U 23 H5' U 23 -1.131 1.252 -9.188 209 H5'' U 23 H5'' U 23 -1.268 0.502 -7.585 210 H4' U 23 H4' U 23 -1.576 3.473 -8.104 211 H3' U 23 H3' U 23 0.878 1.838 -7.513 212 H2' U 23 H2'' U 23 1.409 3.107 -5.665 213 HO2' U 23 H2' U 23 0.554 5.538 -6.005 214 H1' U 23 H1' U 23 -1.106 4.627 -5.562 215 H3 U 23 H3 U 23 0.355 4.279 -1.255 216 H5 U 23 H5 U 23 -1.271 0.512 -2.212 217 H6 U 23 H6 U 23 -1.479 1.284 -4.506 218 H5' C 24 H5' C 24 4.277 4.662 -8.157 219 H5'' C 24 H5'' C 24 2.721 5.231 -8.734 220 H4' C 24 H4' C 24 4.412 6.422 -9.931 221 H3' C 24 H3' C 24 2.510 4.952 -11.371 222 H2' C 24 H2'' C 24 3.911 3.243 -12.112 223 HO2' C 24 H2' C 24 5.157 4.243 -14.064 224 H1' C 24 H1' C 24 6.299 5.075 -12.309 225 H41 C 24 H41 C 24 8.944 -0.723 -12.515 226 H42 C 24 H42 C 24 8.462 -1.002 -10.856 227 H5 C 24 H5 C 24 7.097 0.548 -9.603 228 H6 C 24 H6 C 24 5.892 2.670 -9.674 229 H5' U 25 H5' U 25 -0.626 7.180 -12.372 230 H5'' U 25 H5'' U 25 0.796 7.811 -11.514 231 H4' U 25 H4' U 25 -0.251 5.030 -10.988 232 H3' U 25 H3' U 25 -1.882 7.208 -10.417 233 H2' U 25 H2'' U 25 -0.433 8.311 -8.925 234 HO2' U 25 H2' U 25 -1.199 6.323 -7.073 235 H1' U 25 H1' U 25 0.543 5.702 -7.801 236 H3 U 25 H3 U 25 3.403 10.096 -8.782 237 H5 U 25 H5 U 25 3.936 7.595 -5.417 238 H6 U 25 H6 U 25 2.190 6.175 -6.289 239 H5' G 26 H5' G 26 -5.110 7.656 -7.892 240 H5'' G 26 H5'' G 26 -3.536 8.384 -8.258 241 H4' G 26 H4' G 26 -4.415 9.353 -6.233 242 H3' G 26 H3' G 26 -2.087 7.487 -5.644 243 H2' G 26 H2'' G 26 -2.262 8.054 -3.398 244 HO2' G 26 H2' G 26 -3.436 10.401 -4.442 245 H1' G 26 H1' G 26 -5.041 8.436 -3.359 246 H8 G 26 H8 G 26 -4.932 5.051 -4.718 247 H1 G 26 H1 G 26 -2.913 5.285 1.366 248 H21 G 26 H21 G 26 -2.415 7.399 1.925 249 H22 G 26 H22 G 26 -2.604 8.720 0.794 250 H5' A 27 H5' A 27 -1.594 11.057 -3.622 251 H5'' A 27 H5'' A 27 -0.019 11.827 -3.841 252 H4' A 27 H4' A 27 -0.680 11.857 -1.484 253 H3' A 27 H3' A 27 1.648 9.929 -1.935 254 H2' A 27 H2'' A 27 1.694 9.668 0.407 255 HO2' A 27 H2' A 27 0.625 12.209 0.344 256 H1' A 27 H1' A 27 -1.059 9.772 0.787 257 H8 A 27 H8 A 27 -0.151 7.381 -2.056 258 H61 A 27 H61 A 27 0.561 3.181 2.463 259 H62 A 27 H62 A 27 0.469 3.443 0.724 260 H2 A 27 H2 A 27 0.125 7.197 4.347 261 H5' G 28 H5' G 28 2.616 12.589 1.178 262 H5'' G 28 H5'' G 28 4.303 13.130 1.198 263 H4' G 28 H4' G 28 3.682 12.208 3.366 264 H3' G 28 H3' G 28 5.589 10.318 1.922 265 H2' G 28 H2'' G 28 5.552 9.010 3.870 266 HO2' G 28 H2' G 28 4.681 11.410 5.122 267 H1' G 28 H1' G 28 2.883 9.558 4.554 268 H8 G 28 H8 G 28 3.358 8.458 0.926 269 H1 G 28 H1 G 28 3.249 3.636 5.098 270 H21 G 28 H21 G 28 3.383 4.366 7.160 271 H22 G 28 H22 G 28 3.488 6.069 7.541 272 H5' C 29 H5' C 29 6.967 10.732 5.740 273 H5'' C 29 H5'' C 29 8.699 11.078 5.896 274 H4' C 29 H4' C 29 8.102 9.170 7.290 275 H3' C 29 H3' C 29 9.748 8.346 4.856 276 H2' C 29 H2'' C 29 9.706 6.163 5.682 277 HO2' C 29 H2' C 29 8.836 6.953 8.254 278 H1' C 29 H1' C 29 7.201 6.376 7.045 279 H41 C 29 H41 C 29 6.257 2.302 2.286 280 H42 C 29 H42 C 29 6.054 3.647 1.180 281 H5 C 29 H5 C 29 6.440 5.929 1.800 282 H6 C 29 H6 C 29 7.102 7.434 3.612 283 H5' C 30 H5' C 30 11.541 6.468 8.019 284 H5'' C 30 H5'' C 30 13.236 6.920 8.300 285 H4' C 30 H4' C 30 13.034 4.483 8.269 286 H3' C 30 H3' C 30 14.394 5.651 5.798 287 H2' C 30 H2'' C 30 14.773 3.449 5.074 288 HO2' C 30 H2' C 30 15.312 1.909 6.430 289 H1' C 30 H1' C 30 12.436 2.326 6.254 290 H41 C 30 H41 C 30 11.541 2.173 -0.005 291 H42 C 30 H42 C 30 10.892 3.795 0.067 292 H5 C 30 H5 C 30 10.955 5.154 2.033 293 H6 C 30 H6 C 30 11.577 5.229 4.387 294 H5' U 31 H5' U 31 16.864 2.767 6.821 295 H5'' U 31 H5'' U 31 18.517 3.253 7.248 296 H4' U 31 H4' U 31 18.582 1.495 5.572 297 H3' U 31 H3' U 31 19.987 3.858 5.210 298 H2' U 31 H2'' U 31 18.642 4.839 3.562 299 HO2' U 31 H2' U 31 19.295 3.742 1.420 300 H1' U 31 H1' U 31 17.884 2.228 2.308 301 H3 U 31 H3 U 31 14.478 4.067 0.037 302 H5 U 31 H5 U 31 14.631 6.413 3.535 303 H6 U 31 H6 U 31 16.491 5.055 4.290 304 H5' G 32 H5' G 32 21.179 -1.306 6.565 305 H5'' G 32 H5'' G 32 21.014 -0.888 4.852 306 H4' G 32 H4' G 32 18.842 -0.458 6.917 307 H3' G 32 H3' G 32 19.488 -3.012 5.944 308 H2' G 32 H2'' G 32 18.851 -2.655 3.713 309 HO2' G 32 H2' G 32 16.176 -2.694 4.483 310 H1' G 32 H1' G 32 16.643 -0.768 4.506 311 H8 G 32 H8 G 32 19.847 0.024 2.532 312 H1 G 32 H1 G 32 14.519 -0.285 -1.007 313 H21 G 32 H21 G 32 12.814 -0.967 0.239 314 H22 G 32 H22 G 32 12.987 -1.357 1.935 315 H5' G 33 H5' G 33 15.453 -1.590 6.171 316 H5'' G 33 H5'' G 33 14.439 -2.409 7.362 317 H4' G 33 H4' G 33 13.069 -1.393 5.614 318 H3' G 33 H3' G 33 12.751 -4.015 6.469 319 H2' G 33 H2'' G 33 13.687 -5.098 4.613 320 HO2' G 33 H2' G 33 11.075 -4.364 3.723 321 H1' G 33 H1' G 33 12.622 -3.063 2.665 322 H8 G 33 H8 G 33 15.844 -4.925 3.911 323 H1 G 33 H1 G 33 15.288 -4.252 -2.438 324 H21 G 33 H21 G 33 13.444 -3.103 -2.915 325 H22 G 33 H22 G 33 12.369 -2.501 -1.674 326 H5' G 34 H5' G 34 7.808 -5.246 4.440 327 H5'' G 34 H5'' G 34 9.177 -6.353 4.587 328 H4' G 34 H4' G 34 8.044 -6.794 2.517 329 H3' G 34 H3' G 34 10.787 -6.250 2.590 330 H2' G 34 H2'' G 34 10.720 -4.136 1.578 331 HO2' G 34 H2' G 34 11.702 -4.806 -0.176 332 H1' G 34 H1' G 34 8.366 -4.912 -0.148 333 H8 G 34 H8 G 34 7.115 -2.770 -0.917 334 H1 G 34 H1 G 34 10.766 0.939 2.717 335 H21 G 34 H21 G 34 12.013 -0.298 4.079 336 H22 G 34 H22 G 34 11.966 -2.046 4.050 337 H5' A 35 H5' A 35 8.944 -8.463 3.811 338 H5'' A 35 H5'' A 35 8.453 -10.162 3.892 339 H4' A 35 H4' A 35 6.726 -8.067 4.018 340 H3' A 35 H3' A 35 6.356 -10.879 3.583 341 H2' A 35 H2'' A 35 5.531 -10.757 1.461 342 HO2' A 35 H2' A 35 3.289 -9.295 2.228 343 H1' A 35 H1' A 35 4.628 -7.889 1.817 344 H8 A 35 H8 A 35 5.136 -6.525 -0.513 345 H61 A 35 H61 A 35 6.323 -10.621 -5.005 346 H62 A 35 H62 A 35 5.985 -8.943 -4.648 347 H2 A 35 H2 A 35 6.326 -12.777 -1.072 348 H5' G 36 H5' G 36 6.618 -7.809 6.239 349 H5'' G 36 H5'' G 36 5.052 -7.947 7.050 350 H4' G 36 H4' G 36 6.392 -6.160 8.035 351 H3' G 36 H3' G 36 4.019 -5.125 6.436 352 H2' G 36 H2'' G 36 4.613 -2.981 7.099 353 HO2' G 36 H2' G 36 6.437 -3.820 9.066 354 H1' G 36 H1' G 36 7.397 -3.472 7.271 355 H8 G 36 H8 G 36 5.822 -4.340 3.875 356 H1 G 36 H1 G 36 7.361 1.849 4.591 357 H21 G 36 H21 G 36 7.840 2.297 6.674 358 H22 G 36 H22 G 36 7.831 1.075 7.925 359 H5' C 37 H5' C 37 4.114 -3.493 10.301 360 H5'' C 37 H5'' C 37 2.559 -3.471 11.148 361 H4' C 37 H4' C 37 3.616 -1.286 11.310 362 H3' C 37 H3' C 37 1.246 -1.229 9.379 363 H2' C 37 H2'' C 37 1.592 1.107 9.271 364 HO2' C 37 H2' C 37 3.219 0.797 11.599 365 H1' C 37 H1' C 37 4.385 1.003 9.336 366 H41 C 37 H41 C 37 2.827 1.978 3.273 367 H42 C 37 H42 C 37 2.566 0.265 3.039 368 H5 C 37 H5 C 37 2.654 -1.339 4.864 369 H6 C 37 H6 C 37 2.945 -1.602 7.287 370 H5' U 38 H5' U 38 0.497 1.887 11.990 371 H5'' U 38 H5'' U 38 -1.183 1.995 12.547 372 H4' U 38 H4' U 38 -0.492 4.097 11.516 373 H3' U 38 H3' U 38 -2.460 2.615 9.712 374 H2' U 38 H2'' U 38 -2.360 4.475 8.293 375 HO2' U 38 H2' U 38 -0.937 6.227 9.837 376 H1' U 38 H1' U 38 0.336 5.123 8.815 377 H3 U 38 H3 U 38 0.015 4.417 4.323 378 H5 U 38 H5 U 38 0.025 0.563 6.054 379 H6 U 38 H6 U 38 -0.250 1.611 8.220 380 H5' C 39 H5' C 39 -3.726 6.498 10.203 381 H5'' C 39 H5'' C 39 -5.468 6.756 10.408 382 H4' C 39 H4' C 39 -4.557 8.110 8.572 383 H3' C 39 H3' C 39 -6.393 5.910 7.512 384 H2' C 39 H2'' C 39 -6.013 6.796 5.381 385 HO2' C 39 H2' C 39 -4.778 9.071 5.617 386 H1' C 39 H1' C 39 -3.393 7.732 5.893 387 H41 C 39 H41 C 39 -2.878 2.947 1.763 388 H42 C 39 H42 C 39 -3.038 1.766 3.043 389 H5 C 39 H5 C 39 -3.534 2.367 5.342 390 H6 C 39 H6 C 39 -4.012 4.252 6.865 391 H5' U 40 H5' U 40 -7.368 9.435 5.720 392 H5'' U 40 H5'' U 40 -9.093 9.839 5.634 393 H4' U 40 H4' U 40 -8.058 9.945 3.405 394 H3' U 40 H3' U 40 -9.970 7.585 3.694 395 H2' U 40 H2'' U 40 -9.574 7.135 1.416 396 HO2' U 40 H2' U 40 -8.890 9.860 1.333 397 H1' U 40 H1' U 40 -6.885 7.858 1.402 398 H3 U 40 H3 U 40 -7.009 3.367 0.370 399 H5 U 40 H5 U 40 -7.532 3.584 4.555 400 H6 U 40 H6 U 40 -7.782 5.984 4.344 401 H5' C 41 H5' C 41 -11.118 9.692 0.228 402 H5'' C 41 H5'' C 41 -12.867 9.945 0.047 403 H4' C 41 H4' C 41 -11.968 8.849 -1.939 404 H3' C 41 H3' C 41 -13.634 6.918 -0.266 405 H2' C 41 H2'' C 41 -13.275 5.327 -1.957 406 HO2' C 41 H2' C 41 -13.057 5.849 -4.016 407 H1' C 41 H1' C 41 -10.667 6.096 -2.576 408 H41 C 41 H41 C 41 -10.105 0.869 1.014 409 H42 C 41 H42 C 41 -10.295 1.835 2.461 410 H5 C 41 H5 C 41 -10.856 4.169 2.413 411 H6 C 41 H6 C 41 -11.375 6.090 0.980 412 H5' U 42 H5' U 42 -15.066 6.530 -4.132 413 H5'' U 42 H5'' U 42 -16.834 6.477 -4.268 414 H4' U 42 H4' U 42 -15.841 4.510 -5.329 415 H3' U 42 H3' U 42 -17.234 3.757 -2.720 416 H2' U 42 H2'' U 42 -16.737 1.523 -3.259 417 HO2' U 42 H2' U 42 -15.832 2.120 -5.852 418 H1' U 42 H1' U 42 -14.254 2.038 -4.437 419 H3 U 42 H3 U 42 -13.403 -0.634 -0.827 420 H5 U 42 H5 U 42 -13.995 3.210 0.782 421 H6 U 42 H6 U 42 -14.800 3.922 -1.392 422 H5' G 43 H5' G 43 -18.665 1.196 -5.675 423 H5'' G 43 H5'' G 43 -20.407 0.879 -5.608 424 H4' G 43 H4' G 43 -19.165 -1.220 -5.604 425 H3' G 43 H3' G 43 -20.399 -0.679 -2.868 426 H2' G 43 H2'' G 43 -19.582 -2.783 -2.222 427 HO2' G 43 H2' G 43 -18.609 -4.075 -4.159 428 H1' G 43 H1' G 43 -17.230 -2.684 -3.726 429 H8 G 43 H8 G 43 -17.806 0.497 -1.703 430 H1 G 43 H1 G 43 -15.238 -4.282 1.683 431 H21 G 43 H21 G 43 -15.378 -6.195 0.528 432 H22 G 43 H22 G 43 -16.081 -6.264 -1.071 433 H5' C 44 H5' C 44 -21.434 -4.547 -4.020 434 H5'' C 44 H5'' C 44 -23.109 -5.015 -3.680 435 H4' C 44 H4' C 44 -21.554 -6.648 -2.733 436 H3' C 44 H3' C 44 -22.881 -4.998 -0.538 437 H2' C 44 H2'' C 44 -21.765 -6.380 0.995 438 HO2' C 44 H2' C 44 -21.563 -8.185 -1.189 439 H1' C 44 H1' C 44 -19.435 -6.704 -0.513 440 H41 C 44 H41 C 44 -17.993 -2.536 4.079 441 H42 C 44 H42 C 44 -18.705 -1.241 3.142 442 H5 C 44 H5 C 44 -19.885 -1.608 1.067 443 H6 C 44 H6 C 44 -20.711 -3.309 -0.494 444 H5' C 45 H5' C 45 -23.254 -8.974 0.505 445 H5'' C 45 H5'' C 45 -24.873 -9.458 1.040 446 H4' C 45 H4' C 45 -23.204 -10.131 2.692 447 H3' C 45 H3' C 45 -24.928 -7.815 3.609 448 HO3' C 45 H3T C 45 -25.545 -10.209 3.138 449 H2' C 45 H2'' C 45 -23.814 -7.847 5.648 450 HO2' C 45 H2' C 45 -23.625 -9.741 6.555 451 H1' C 45 H1' C 45 -21.336 -8.818 4.626 452 H41 C 45 H41 C 45 -20.284 -2.703 6.276 453 H42 C 45 H42 C 45 -21.088 -2.200 4.814 454 H5 C 45 H5 C 45 -22.168 -3.694 3.305 455 H6 C 45 H6 C 45 -22.800 -6.015 2.870
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