NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
280103 | 2ko0 | 16485 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 -3.487 -1.955 -5.193 2 H2 MET 1 HT2 MET 1 -2.241 -2.824 -5.933 3 H3 MET 1 HT3 MET 1 -2.477 -2.946 -4.262 4 HA MET 1 HA MET 1 -3.294 -4.851 -5.664 5 HB2 MET 1 HB2 MET 1 -5.373 -5.103 -4.351 6 HB3 MET 1 HB1 MET 1 -4.018 -4.594 -3.355 7 HG2 MET 1 HG2 MET 1 -5.013 -2.685 -2.771 8 HG3 MET 1 HG1 MET 1 -5.582 -2.368 -4.409 9 HE1 MET 1 HE1 MET 1 -7.771 -5.014 -1.328 10 HE2 MET 1 HE2 MET 1 -6.230 -4.202 -1.045 11 HE3 MET 1 HE3 MET 1 -6.316 -5.574 -2.150 12 H VAL 2 HN VAL 2 -5.171 -5.611 -6.889 13 HA VAL 2 HA VAL 2 -6.017 -3.502 -8.730 14 HB VAL 2 HB VAL 2 -6.676 -5.333 -10.254 15 HG11 VAL 2 HG11 VAL 2 -3.838 -5.457 -9.250 16 HG12 VAL 2 HG12 VAL 2 -4.480 -4.313 -10.428 17 HG13 VAL 2 HG13 VAL 2 -4.403 -6.031 -10.819 18 HG21 VAL 2 HG21 VAL 2 -5.450 -7.122 -8.161 19 HG22 VAL 2 HG22 VAL 2 -5.962 -7.619 -9.773 20 HG23 VAL 2 HG23 VAL 2 -7.155 -7.055 -8.603 21 H GLN 3 HN GLN 3 -7.354 -3.860 -6.113 22 HA GLN 3 HA GLN 3 -10.013 -4.612 -7.111 23 HB2 GLN 3 HB2 GLN 3 -8.845 -4.717 -4.340 24 HB3 GLN 3 HB1 GLN 3 -10.586 -4.707 -4.595 25 HG2 GLN 3 HG2 GLN 3 -10.361 -6.709 -6.004 26 HG3 GLN 3 HG1 GLN 3 -8.636 -6.740 -5.659 27 HE21 GLN 3 HE21 GLN 3 -11.046 -5.871 -3.284 28 HE22 GLN 3 HE22 GLN 3 -10.865 -7.281 -2.297 29 H SER 4 HN SER 4 -8.575 -2.335 -4.729 30 HA SER 4 HA SER 4 -9.606 -0.031 -5.958 31 HB2 SER 4 HB2 SER 4 -11.645 0.395 -4.888 32 HB3 SER 4 HB1 SER 4 -11.685 -1.336 -5.032 33 HG SER 4 HG SER 4 -10.425 -0.517 -2.755 34 H CYS 5 HN CYS 5 -9.057 1.895 -4.751 35 HA CYS 5 HA CYS 5 -6.883 1.508 -2.934 36 HB2 CYS 5 HB2 CYS 5 -8.145 4.191 -3.235 37 HB3 CYS 5 HB1 CYS 5 -6.442 3.744 -3.247 38 H SER 6 HN SER 6 -6.854 2.840 -0.834 39 HA SER 6 HA SER 6 -8.969 1.909 0.840 40 HB2 SER 6 HB2 SER 6 -6.459 2.209 1.396 41 HB3 SER 6 HB1 SER 6 -6.882 3.889 1.708 42 HG SER 6 HG SER 6 -7.686 1.566 3.069 43 H ALA 7 HN ALA 7 -9.074 4.384 -1.220 44 HA ALA 7 HA ALA 7 -10.162 6.446 0.477 45 HB1 ALA 7 HB1 ALA 7 -8.974 7.117 -1.506 46 HB2 ALA 7 HB2 ALA 7 -10.663 7.600 -1.659 47 HB3 ALA 7 HB3 ALA 7 -10.070 6.185 -2.524 48 H TYR 8 HN TYR 8 -12.344 7.404 -0.710 49 HA TYR 8 HA TYR 8 -14.303 5.264 -0.296 50 HB2 TYR 8 HB2 TYR 8 -14.679 6.944 1.288 51 HB3 TYR 8 HB1 TYR 8 -14.332 8.233 0.148 52 HD1 TYR 8 HD1 TYR 8 -16.710 5.391 -0.314 53 HD2 TYR 8 HD2 TYR 8 -16.233 9.572 0.343 54 HE1 TYR 8 HE1 TYR 8 -19.114 5.722 -0.707 55 HE2 TYR 8 HE2 TYR 8 -18.636 9.909 -0.056 56 HH TYR 8 HH TYR 8 -20.810 7.168 -0.655 57 H GLY 9 HN GLY 9 -14.445 4.393 -2.341 58 HA2 GLY 9 HA2 GLY 9 -15.862 4.311 -4.241 59 HA3 GLY 9 HA1 GLY 9 -15.904 6.063 -4.255 60 H CYS 10 HN CYS 10 -12.720 5.278 -3.875 61 HA CYS 10 HA CYS 10 -12.186 5.907 -6.626 62 HB2 CYS 10 HB2 CYS 10 -10.821 6.870 -4.795 63 HB3 CYS 10 HB1 CYS 10 -10.193 5.263 -4.446 64 H LYS 11 HN LYS 11 -13.246 3.897 -7.395 65 HA LYS 11 HA LYS 11 -11.671 1.472 -7.111 66 HB2 LYS 11 HB2 LYS 11 -14.277 2.183 -8.383 67 HB3 LYS 11 HB1 LYS 11 -13.426 0.762 -8.976 68 HG2 LYS 11 HG2 LYS 11 -13.431 -0.206 -6.755 69 HG3 LYS 11 HG1 LYS 11 -14.216 1.237 -6.109 70 HD2 LYS 11 HD2 LYS 11 -16.220 0.787 -7.284 71 HD3 LYS 11 HD1 LYS 11 -15.440 -0.422 -8.303 72 HE2 LYS 11 HE2 LYS 11 -15.133 -1.872 -6.366 73 HE3 LYS 11 HE1 LYS 11 -15.877 -0.657 -5.329 74 HZ1 LYS 11 HZ1 LYS 11 -17.303 -1.853 -7.627 75 HZ2 LYS 11 HZ2 LYS 11 -17.953 -0.992 -6.324 76 HZ3 LYS 11 HZ3 LYS 11 -17.336 -2.548 -6.084 77 H ASN 12 HN ASN 12 -10.120 3.408 -8.057 78 HA ASN 12 HA ASN 12 -9.990 3.374 -10.954 79 HB2 ASN 12 HB2 ASN 12 -8.334 4.666 -8.831 80 HB3 ASN 12 HB1 ASN 12 -7.902 4.759 -10.533 81 HD21 ASN 12 HD21 ASN 12 -8.351 7.114 -9.275 82 HD22 ASN 12 HD22 ASN 12 -9.864 7.787 -9.783 83 H ARG 13 HN ARG 13 -9.810 0.945 -10.072 84 HA ARG 13 HA ARG 13 -7.718 -0.526 -9.426 85 HB2 ARG 13 HB2 ARG 13 -9.929 -1.179 -10.585 86 HB3 ARG 13 HB1 ARG 13 -9.047 -1.031 -12.090 87 HG2 ARG 13 HG2 ARG 13 -8.491 -2.974 -9.850 88 HG3 ARG 13 HG1 ARG 13 -9.192 -3.335 -11.426 89 HD2 ARG 13 HD2 ARG 13 -6.791 -2.016 -11.980 90 HD3 ARG 13 HD1 ARG 13 -6.416 -3.123 -10.662 91 HE ARG 13 HE ARG 13 -7.018 -4.945 -12.041 92 HH11 ARG 13 HH11 ARG 13 -7.112 -1.869 -13.718 93 HH12 ARG 13 HH12 ARG 13 -7.201 -2.585 -15.292 94 HH21 ARG 13 HH21 ARG 13 -7.094 -5.891 -14.097 95 HH22 ARG 13 HH22 ARG 13 -7.176 -4.889 -15.510 96 H TYR 14 HN TYR 14 -5.612 -0.705 -9.949 97 HA TYR 14 HA TYR 14 -3.955 0.820 -11.258 98 HB2 TYR 14 HB2 TYR 14 -3.777 -1.776 -10.360 99 HB3 TYR 14 HB1 TYR 14 -3.368 -1.928 -12.064 100 HD1 TYR 14 HD1 TYR 14 -1.838 0.477 -12.646 101 HD2 TYR 14 HD2 TYR 14 -1.819 -1.947 -9.143 102 HE1 TYR 14 HE1 TYR 14 0.448 1.221 -12.147 103 HE2 TYR 14 HE2 TYR 14 0.471 -1.206 -8.642 104 HH TYR 14 HH TYR 14 2.357 -0.207 -9.600 105 H ASP 15 HN ASP 15 -4.257 1.865 -13.067 106 HA ASP 15 HA ASP 15 -4.567 0.335 -15.542 107 HB2 ASP 15 HB2 ASP 15 -6.736 1.223 -15.276 108 HB3 ASP 15 HB1 ASP 15 -6.136 2.744 -14.640 109 H LYS 16 HN LYS 16 -2.660 0.509 -16.388 110 HA LYS 16 HA LYS 16 -0.727 2.435 -15.882 111 HB2 LYS 16 HB2 LYS 16 0.541 1.080 -17.128 112 HB3 LYS 16 HB1 LYS 16 -0.887 0.064 -17.256 113 HG2 LYS 16 HG2 LYS 16 -1.405 1.671 -19.294 114 HG3 LYS 16 HG1 LYS 16 0.350 1.857 -19.262 115 HD2 LYS 16 HD2 LYS 16 0.719 -0.378 -19.725 116 HD3 LYS 16 HD1 LYS 16 -0.879 -0.862 -19.162 117 HE2 LYS 16 HE2 LYS 16 -0.417 0.819 -21.611 118 HE3 LYS 16 HE1 LYS 16 -0.557 -0.938 -21.649 119 HZ1 LYS 16 HZ1 LYS 16 -2.620 1.082 -21.058 120 HZ2 LYS 16 HZ2 LYS 16 -2.760 -0.473 -20.392 121 HZ3 LYS 16 HZ3 LYS 16 -2.698 -0.276 -22.068 122 H ASP 17 HN ASP 17 -3.389 2.531 -18.097 123 HA ASP 17 HA ASP 17 -2.378 4.492 -19.859 124 HB2 ASP 17 HB2 ASP 17 -5.046 3.341 -19.248 125 HB3 ASP 17 HB1 ASP 17 -5.031 4.925 -20.019 126 H LYS 18 HN LYS 18 -4.000 4.577 -16.795 127 HA LYS 18 HA LYS 18 -4.266 7.471 -16.828 128 HB2 LYS 18 HB2 LYS 18 -5.838 7.197 -15.228 129 HB3 LYS 18 HB1 LYS 18 -5.806 5.513 -15.728 130 HG2 LYS 18 HG2 LYS 18 -3.996 5.241 -13.928 131 HG3 LYS 18 HG1 LYS 18 -4.594 6.784 -13.321 132 HD2 LYS 18 HD2 LYS 18 -5.897 4.119 -13.359 133 HD3 LYS 18 HD1 LYS 18 -5.901 5.356 -12.109 134 HE2 LYS 18 HE2 LYS 18 -8.037 5.634 -12.784 135 HE3 LYS 18 HE1 LYS 18 -7.288 6.646 -14.013 136 HZ1 LYS 18 HZ1 LYS 18 -8.294 3.879 -14.285 137 HZ2 LYS 18 HZ2 LYS 18 -7.222 4.541 -15.418 138 HZ3 LYS 18 HZ3 LYS 18 -8.739 5.251 -15.168 139 HA PRO 19 HA PRO 19 -0.393 8.007 -14.802 140 HB2 PRO 19 HB2 PRO 19 -0.606 10.558 -13.988 141 HB3 PRO 19 HB1 PRO 19 -0.522 10.127 -15.706 142 HG2 PRO 19 HG2 PRO 19 -2.890 10.894 -14.078 143 HG3 PRO 19 HG1 PRO 19 -2.481 11.309 -15.755 144 HD2 PRO 19 HD2 PRO 19 -4.245 9.316 -15.017 145 HD3 PRO 19 HD1 PRO 19 -3.416 9.416 -16.581 146 H VAL 20 HN VAL 20 -1.148 6.397 -13.096 147 HA VAL 20 HA VAL 20 -0.817 7.690 -10.520 148 HB VAL 20 HB VAL 20 -2.596 6.724 -9.353 149 HG11 VAL 20 HG11 VAL 20 -3.521 8.572 -10.403 150 HG12 VAL 20 HG12 VAL 20 -4.692 7.283 -10.686 151 HG13 VAL 20 HG13 VAL 20 -3.588 7.773 -11.972 152 HG21 VAL 20 HG21 VAL 20 -4.206 5.102 -10.352 153 HG22 VAL 20 HG22 VAL 20 -2.566 4.489 -10.119 154 HG23 VAL 20 HG23 VAL 20 -3.112 4.962 -11.732 155 H SER 21 HN SER 21 0.137 6.404 -8.989 156 HA SER 21 HA SER 21 1.024 3.746 -9.887 157 HB2 SER 21 HB2 SER 21 3.116 4.182 -8.564 158 HB3 SER 21 HB1 SER 21 2.931 5.248 -9.955 159 HG SER 21 HG SER 21 3.512 6.515 -8.240 160 H PHE 22 HN PHE 22 1.494 2.256 -7.992 161 HA PHE 22 HA PHE 22 -0.369 2.930 -5.823 162 HB2 PHE 22 HB2 PHE 22 0.157 0.449 -7.317 163 HB3 PHE 22 HB1 PHE 22 -0.004 0.232 -5.578 164 HD1 PHE 22 HD1 PHE 22 -1.760 1.170 -8.676 165 HD2 PHE 22 HD2 PHE 22 -2.106 0.651 -4.463 166 HE1 PHE 22 HE1 PHE 22 -4.233 1.193 -8.879 167 HE2 PHE 22 HE2 PHE 22 -4.556 0.683 -4.659 168 HZ PHE 22 HZ PHE 22 -5.615 0.955 -6.860 169 H HIS 23 HN HIS 23 0.140 2.084 -3.705 170 HA HIS 23 HA HIS 23 2.919 1.528 -2.985 171 HB2 HIS 23 HB2 HIS 23 1.900 3.659 -1.300 172 HB3 HIS 23 HB1 HIS 23 3.466 3.525 -2.076 173 HD1 HIS 23 HD1 HIS 23 -0.023 4.638 -2.774 174 HD2 HIS 23 HD2 HIS 23 3.811 5.231 -4.227 175 HE1 HIS 23 HE1 HIS 23 -0.265 6.391 -4.505 176 HE2 HIS 23 HE2 HIS 23 2.034 6.556 -5.564 177 H LYS 24 HN LYS 24 2.946 1.576 -0.395 178 HA LYS 24 HA LYS 24 0.419 0.300 0.431 179 HB2 LYS 24 HB2 LYS 24 3.206 -0.480 0.752 180 HB3 LYS 24 HB1 LYS 24 2.383 -0.382 2.304 181 HG2 LYS 24 HG2 LYS 24 0.815 -2.012 1.704 182 HG3 LYS 24 HG1 LYS 24 1.200 -1.873 -0.014 183 HD2 LYS 24 HD2 LYS 24 2.141 -3.915 0.873 184 HD3 LYS 24 HD1 LYS 24 3.440 -2.799 0.443 185 HE2 LYS 24 HE2 LYS 24 3.273 -2.080 2.944 186 HE3 LYS 24 HE1 LYS 24 2.470 -3.636 3.147 187 HZ1 LYS 24 HZ1 LYS 24 4.600 -4.370 1.742 188 HZ2 LYS 24 HZ2 LYS 24 4.567 -4.336 3.433 189 HZ3 LYS 24 HZ3 LYS 24 5.257 -3.050 2.581 190 H PHE 25 HN PHE 25 0.016 0.609 2.894 191 HA PHE 25 HA PHE 25 -0.097 3.348 3.548 192 HB2 PHE 25 HB2 PHE 25 -0.589 0.807 4.987 193 HB3 PHE 25 HB1 PHE 25 -0.200 2.182 5.998 194 HD1 PHE 25 HD2 PHE 25 -2.526 1.119 3.315 195 HD2 PHE 25 HD1 PHE 25 -1.868 3.659 6.655 196 HE1 PHE 25 HE2 PHE 25 -4.878 1.858 3.211 197 HE2 PHE 25 HE1 PHE 25 -4.217 4.369 6.589 198 HZ PHE 25 HZ PHE 25 -5.729 3.475 4.864 199 HA PRO 26 HA PRO 26 3.891 4.192 5.377 200 HB2 PRO 26 HB2 PRO 26 3.193 5.940 7.335 201 HB3 PRO 26 HB1 PRO 26 3.138 6.389 5.619 202 HG2 PRO 26 HG2 PRO 26 0.916 5.457 7.379 203 HG3 PRO 26 HG1 PRO 26 0.956 6.853 6.288 204 HD2 PRO 26 HD2 PRO 26 -0.200 4.588 5.531 205 HD3 PRO 26 HD1 PRO 26 0.760 5.536 4.388 206 H LEU 27 HN LEU 27 3.753 1.859 6.149 207 HA LEU 27 HA LEU 27 2.750 1.267 8.735 208 HB2 LEU 27 HB2 LEU 27 4.546 -0.121 6.789 209 HB3 LEU 27 HB1 LEU 27 4.381 -0.749 8.419 210 HG LEU 27 HG LEU 27 2.176 -0.389 6.385 211 HD11 LEU 27 HD11 LEU 27 3.414 -2.835 7.643 212 HD12 LEU 27 HD12 LEU 27 3.542 -2.333 5.959 213 HD13 LEU 27 HD13 LEU 27 1.985 -2.844 6.611 214 HD21 LEU 27 HD21 LEU 27 2.114 -0.946 9.319 215 HD22 LEU 27 HD22 LEU 27 0.891 -1.651 8.263 216 HD23 LEU 27 HD23 LEU 27 1.078 0.100 8.346 217 H THR 28 HN THR 28 5.663 2.580 7.546 218 HA THR 28 HA THR 28 7.080 2.203 10.037 219 HB THR 28 HB THR 28 8.972 3.178 8.859 220 HG1 THR 28 HG1 THR 28 8.064 3.496 6.386 221 HG21 THR 28 HG21 THR 28 9.045 1.613 6.892 222 HG22 THR 28 HG22 THR 28 7.349 1.230 7.218 223 HG23 THR 28 HG23 THR 28 8.592 0.844 8.417 224 H ARG 29 HN ARG 29 4.674 4.103 9.246 225 HA ARG 29 HA ARG 29 5.539 6.333 10.920 226 HB2 ARG 29 HB2 ARG 29 4.948 6.435 8.053 227 HB3 ARG 29 HB1 ARG 29 3.888 7.480 8.971 228 HG2 ARG 29 HG2 ARG 29 6.853 7.583 9.324 229 HG3 ARG 29 HG1 ARG 29 6.040 8.450 8.019 230 HD2 ARG 29 HD2 ARG 29 5.566 10.087 9.424 231 HD3 ARG 29 HD1 ARG 29 4.581 8.969 10.363 232 HE ARG 29 HE ARG 29 6.238 8.831 11.924 233 HH11 ARG 29 HH11 ARG 29 7.500 10.405 9.070 234 HH12 ARG 29 HH12 ARG 29 8.986 10.876 9.824 235 HH21 ARG 29 HH21 ARG 29 8.207 9.435 12.926 236 HH22 ARG 29 HH22 ARG 29 9.392 10.318 12.021 237 HA PRO 30 HA PRO 30 1.461 3.988 11.707 238 HB2 PRO 30 HB2 PRO 30 1.865 4.389 14.449 239 HB3 PRO 30 HB1 PRO 30 2.082 2.886 13.540 240 HG2 PRO 30 HG2 PRO 30 4.101 4.870 14.417 241 HG3 PRO 30 HG1 PRO 30 4.261 3.122 14.185 242 HD2 PRO 30 HD2 PRO 30 5.298 4.859 12.452 243 HD3 PRO 30 HD1 PRO 30 4.600 3.314 11.921 244 H SER 31 HN SER 31 2.478 6.677 13.922 245 HA SER 31 HA SER 31 -0.077 7.571 14.494 246 HB2 SER 31 HB2 SER 31 2.148 9.556 14.081 247 HB3 SER 31 HB1 SER 31 0.915 9.509 15.342 248 HG SER 31 HG SER 31 2.319 8.492 16.506 249 H LEU 32 HN LEU 32 2.043 8.505 11.846 250 HA LEU 32 HA LEU 32 0.252 10.308 10.624 251 HB2 LEU 32 HB2 LEU 32 2.700 10.274 10.275 252 HB3 LEU 32 HB1 LEU 32 2.566 8.716 9.498 253 HG LEU 32 HG LEU 32 2.819 10.959 8.132 254 HD11 LEU 32 HD11 LEU 32 1.802 9.830 6.231 255 HD12 LEU 32 HD12 LEU 32 1.058 8.670 7.331 256 HD13 LEU 32 HD13 LEU 32 2.818 8.751 7.191 257 HD21 LEU 32 HD21 LEU 32 -0.117 10.729 8.648 258 HD22 LEU 32 HD22 LEU 32 0.548 11.551 7.232 259 HD23 LEU 32 HD23 LEU 32 0.937 12.135 8.852 260 H CYS 33 HN CYS 33 0.795 6.852 10.447 261 HA CYS 33 HA CYS 33 -0.668 6.242 8.099 262 HB2 CYS 33 HB2 CYS 33 0.885 4.720 9.381 263 HB3 CYS 33 HB1 CYS 33 -0.348 4.614 10.642 264 HG CYS 33 HG CYS 33 0.030 2.743 8.016 265 H LYS 34 HN LYS 34 -1.411 6.782 11.406 266 HA LYS 34 HA LYS 34 -4.045 5.781 11.459 267 HB2 LYS 34 HB2 LYS 34 -2.987 5.828 13.488 268 HB3 LYS 34 HB1 LYS 34 -2.253 7.392 13.192 269 HG2 LYS 34 HG2 LYS 34 -4.894 8.038 13.271 270 HG3 LYS 34 HG1 LYS 34 -4.788 6.736 14.467 271 HD2 LYS 34 HD2 LYS 34 -2.567 8.121 15.097 272 HD3 LYS 34 HD1 LYS 34 -3.579 9.436 14.483 273 HE2 LYS 34 HE2 LYS 34 -4.016 9.348 16.801 274 HE3 LYS 34 HE1 LYS 34 -5.400 8.576 16.034 275 HZ1 LYS 34 HZ1 LYS 34 -4.621 7.334 17.959 276 HZ2 LYS 34 HZ2 LYS 34 -3.100 7.147 17.249 277 HZ3 LYS 34 HZ3 LYS 34 -4.451 6.420 16.549 278 H GLU 35 HN GLU 35 -2.735 8.993 10.565 279 HA GLU 35 HA GLU 35 -5.367 10.140 10.931 280 HB2 GLU 35 HB2 GLU 35 -4.328 11.939 9.292 281 HB3 GLU 35 HB1 GLU 35 -4.039 11.945 11.011 282 HG2 GLU 35 HG2 GLU 35 -1.976 10.504 10.423 283 HG3 GLU 35 HG1 GLU 35 -2.222 11.169 8.806 284 H TRP 36 HN TRP 36 -3.804 8.266 8.540 285 HA TRP 36 HA TRP 36 -5.277 9.174 6.314 286 HB2 TRP 36 HB2 TRP 36 -4.099 6.441 6.879 287 HB3 TRP 36 HB1 TRP 36 -4.819 6.913 5.338 288 HD1 TRP 36 HD1 TRP 36 -2.588 9.351 7.269 289 HE1 TRP 36 HE1 TRP 36 -0.456 9.788 5.904 290 HE3 TRP 36 HE3 TRP 36 -3.242 5.833 3.588 291 HZ2 TRP 36 HZ2 TRP 36 0.804 8.757 3.601 292 HZ3 TRP 36 HZ3 TRP 36 -1.525 5.645 1.836 293 HH2 TRP 36 HH2 TRP 36 0.460 7.070 1.852 294 H GLU 37 HN GLU 37 -5.980 7.145 9.048 295 HA GLU 37 HA GLU 37 -8.353 5.933 8.075 296 HB2 GLU 37 HB2 GLU 37 -7.917 6.731 10.952 297 HB3 GLU 37 HB1 GLU 37 -8.827 5.362 10.337 298 HG2 GLU 37 HG2 GLU 37 -5.874 5.522 9.902 299 HG3 GLU 37 HG1 GLU 37 -6.525 5.018 11.454 300 H ALA 38 HN ALA 38 -7.560 9.013 9.492 301 HA ALA 38 HA ALA 38 -10.144 9.935 10.091 302 HB1 ALA 38 HB1 ALA 38 -9.134 12.146 10.239 303 HB2 ALA 38 HB2 ALA 38 -7.666 11.530 9.482 304 HB3 ALA 38 HB3 ALA 38 -8.151 10.939 11.070 305 H ALA 39 HN ALA 39 -8.334 9.696 7.174 306 HA ALA 39 HA ALA 39 -10.015 11.565 5.724 307 HB1 ALA 39 HB1 ALA 39 -7.902 9.674 4.686 308 HB2 ALA 39 HB2 ALA 39 -7.631 11.354 5.156 309 HB3 ALA 39 HB3 ALA 39 -8.674 10.979 3.785 310 H VAL 40 HN VAL 40 -9.831 8.209 6.453 311 HA VAL 40 HA VAL 40 -11.740 7.444 4.375 312 HB VAL 40 HB VAL 40 -10.867 5.608 6.555 313 HG11 VAL 40 HG11 VAL 40 -11.331 5.187 3.611 314 HG12 VAL 40 HG12 VAL 40 -12.519 4.895 4.882 315 HG13 VAL 40 HG13 VAL 40 -11.042 3.933 4.814 316 HG21 VAL 40 HG21 VAL 40 -8.790 5.094 5.563 317 HG22 VAL 40 HG22 VAL 40 -8.839 6.857 5.640 318 HG23 VAL 40 HG23 VAL 40 -9.163 6.030 4.116 319 H ARG 41 HN ARG 41 -12.744 9.294 5.891 320 HA ARG 41 HA ARG 41 -14.098 8.649 8.251 321 HB2 ARG 41 HB2 ARG 41 -15.156 10.740 8.048 322 HB3 ARG 41 HB1 ARG 41 -13.580 10.938 7.304 323 HG2 ARG 41 HG2 ARG 41 -16.112 10.423 5.756 324 HG3 ARG 41 HG1 ARG 41 -15.456 12.030 6.077 325 HD2 ARG 41 HD2 ARG 41 -13.341 11.273 4.946 326 HD3 ARG 41 HD1 ARG 41 -14.205 9.809 4.470 327 HE ARG 41 HE ARG 41 -15.815 11.790 3.582 328 HH11 ARG 41 HH11 ARG 41 -12.409 11.087 3.172 329 HH12 ARG 41 HH12 ARG 41 -12.306 11.867 1.627 330 HH21 ARG 41 HH21 ARG 41 -15.698 12.785 1.534 331 HH22 ARG 41 HH22 ARG 41 -14.180 12.835 0.694 332 H ARG 42 HN ARG 42 -14.665 6.877 5.739 333 HA ARG 42 HA ARG 42 -17.590 7.112 5.850 334 HB2 ARG 42 HB2 ARG 42 -15.785 6.637 3.677 335 HB3 ARG 42 HB1 ARG 42 -16.865 5.258 3.849 336 HG2 ARG 42 HG2 ARG 42 -17.793 6.889 2.311 337 HG3 ARG 42 HG1 ARG 42 -18.795 6.768 3.762 338 HD2 ARG 42 HD2 ARG 42 -17.246 8.729 4.585 339 HD3 ARG 42 HD1 ARG 42 -17.011 8.972 2.856 340 HE ARG 42 HE ARG 42 -19.481 9.186 2.713 341 HH11 ARG 42 HH11 ARG 42 -17.907 9.698 5.808 342 HH12 ARG 42 HH12 ARG 42 -19.105 10.816 6.370 343 HH21 ARG 42 HH21 ARG 42 -21.066 10.624 3.469 344 HH22 ARG 42 HH22 ARG 42 -20.904 11.345 5.037 345 H LYS 43 HN LYS 43 -18.873 5.297 6.185 346 HA LYS 43 HA LYS 43 -18.027 3.474 8.112 347 HB2 LYS 43 HB2 LYS 43 -20.297 3.469 8.124 348 HB3 LYS 43 HB1 LYS 43 -20.401 3.822 6.403 349 HG2 LYS 43 HG2 LYS 43 -19.942 1.470 5.886 350 HG3 LYS 43 HG1 LYS 43 -19.844 1.118 7.617 351 HD2 LYS 43 HD2 LYS 43 -22.200 1.951 7.827 352 HD3 LYS 43 HD1 LYS 43 -22.261 2.030 6.064 353 HE2 LYS 43 HE2 LYS 43 -21.723 -0.373 5.965 354 HE3 LYS 43 HE1 LYS 43 -21.743 -0.433 7.726 355 HZ1 LYS 43 HZ1 LYS 43 -23.834 -1.184 6.758 356 HZ2 LYS 43 HZ2 LYS 43 -24.049 0.319 6.017 357 HZ3 LYS 43 HZ3 LYS 43 -24.058 0.199 7.703 358 H ASN 44 HN ASN 44 -18.251 3.198 4.627 359 HA ASN 44 HA ASN 44 -17.381 0.470 4.552 360 HB2 ASN 44 HB2 ASN 44 -17.067 1.252 2.015 361 HB3 ASN 44 HB1 ASN 44 -18.631 0.828 2.683 362 HD21 ASN 44 HD21 ASN 44 -20.155 2.383 2.995 363 HD22 ASN 44 HD22 ASN 44 -19.995 3.999 2.388 364 H PHE 45 HN PHE 45 -15.556 1.261 6.023 365 HA PHE 45 HA PHE 45 -13.302 2.538 4.850 366 HB2 PHE 45 HB2 PHE 45 -13.820 2.336 7.347 367 HB3 PHE 45 HB1 PHE 45 -13.307 0.657 7.237 368 HD1 PHE 45 HD1 PHE 45 -10.938 0.378 6.066 369 HD2 PHE 45 HD2 PHE 45 -12.237 3.863 8.121 370 HE1 PHE 45 HE1 PHE 45 -8.602 1.018 6.416 371 HE2 PHE 45 HE2 PHE 45 -9.902 4.528 8.473 372 HZ PHE 45 HZ PHE 45 -8.075 3.110 7.622 373 H LYS 46 HN LYS 46 -12.102 1.715 3.338 374 HA LYS 46 HA LYS 46 -12.255 -0.972 2.468 375 HB2 LYS 46 HB2 LYS 46 -11.209 1.526 1.557 376 HB3 LYS 46 HB1 LYS 46 -9.985 0.279 1.353 377 HG2 LYS 46 HG2 LYS 46 -11.048 -0.514 -0.420 378 HG3 LYS 46 HG1 LYS 46 -12.491 -0.779 0.547 379 HD2 LYS 46 HD2 LYS 46 -12.705 1.865 0.191 380 HD3 LYS 46 HD1 LYS 46 -11.830 1.445 -1.282 381 HE2 LYS 46 HE2 LYS 46 -14.531 0.523 -0.358 382 HE3 LYS 46 HE1 LYS 46 -14.084 1.295 -1.880 383 HZ1 LYS 46 HZ1 LYS 46 -13.410 -1.468 -1.033 384 HZ2 LYS 46 HZ2 LYS 46 -12.834 -0.740 -2.445 385 HZ3 LYS 46 HZ3 LYS 46 -14.492 -1.027 -2.254 386 HA PRO 47 HA PRO 47 -9.011 -3.247 4.331 387 HB2 PRO 47 HB2 PRO 47 -7.038 -2.798 2.153 388 HB3 PRO 47 HB1 PRO 47 -7.585 -4.311 2.900 389 HG2 PRO 47 HG2 PRO 47 -8.449 -3.611 0.493 390 HG3 PRO 47 HG1 PRO 47 -9.527 -4.394 1.666 391 HD2 PRO 47 HD2 PRO 47 -9.404 -1.533 0.846 392 HD3 PRO 47 HD1 PRO 47 -10.812 -2.511 1.274 393 H THR 48 HN THR 48 -7.034 -3.222 5.402 394 HA THR 48 HA THR 48 -6.520 -0.658 6.540 395 HB THR 48 HB THR 48 -5.365 -1.855 8.236 396 HG1 THR 48 HG1 THR 48 -4.877 -4.125 7.907 397 HG21 THR 48 HG21 THR 48 -7.044 -3.287 8.959 398 HG22 THR 48 HG22 THR 48 -7.414 -3.810 7.312 399 HG23 THR 48 HG23 THR 48 -7.885 -2.198 7.854 400 H LYS 49 HN LYS 49 -4.059 -0.765 7.439 401 HA LYS 49 HA LYS 49 -2.551 0.411 5.458 402 HB2 LYS 49 HB2 LYS 49 -0.640 -0.068 7.192 403 HB3 LYS 49 HB1 LYS 49 -1.900 1.110 7.508 404 HG2 LYS 49 HG2 LYS 49 -2.751 -1.457 8.437 405 HG3 LYS 49 HG1 LYS 49 -1.155 -1.082 9.088 406 HD2 LYS 49 HD2 LYS 49 -2.418 -0.028 10.660 407 HD3 LYS 49 HD1 LYS 49 -2.300 1.282 9.485 408 HE2 LYS 49 HE2 LYS 49 -4.455 0.566 8.519 409 HE3 LYS 49 HE1 LYS 49 -4.583 -0.667 9.771 410 HZ1 LYS 49 HZ1 LYS 49 -5.058 2.180 9.913 411 HZ2 LYS 49 HZ2 LYS 49 -4.178 1.542 11.224 412 HZ3 LYS 49 HZ3 LYS 49 -5.702 0.916 10.840 413 H TYR 50 HN TYR 50 -3.102 -2.874 5.671 414 HA TYR 50 HA TYR 50 -0.434 -3.580 4.759 415 HB2 TYR 50 HB2 TYR 50 -2.940 -5.144 5.215 416 HB3 TYR 50 HB1 TYR 50 -1.534 -5.851 4.441 417 HD1 TYR 50 HD1 TYR 50 0.694 -5.641 5.766 418 HD2 TYR 50 HD2 TYR 50 -3.167 -5.269 7.497 419 HE1 TYR 50 HE1 TYR 50 1.623 -6.304 7.936 420 HE2 TYR 50 HE2 TYR 50 -2.246 -5.929 9.692 421 HH TYR 50 HH TYR 50 0.101 -7.540 10.229 422 H SER 51 HN SER 51 -3.574 -2.803 3.459 423 HA SER 51 HA SER 51 -3.023 -3.932 0.879 424 HB2 SER 51 HB2 SER 51 -5.028 -2.466 0.194 425 HB3 SER 51 HB1 SER 51 -5.311 -3.806 1.305 426 HG SER 51 HG SER 51 -5.424 -2.388 2.984 427 H SER 52 HN SER 52 -3.274 -2.277 -1.065 428 HA SER 52 HA SER 52 -1.211 -0.265 -0.559 429 HB2 SER 52 HB2 SER 52 -1.085 -0.658 -3.230 430 HB3 SER 52 HB1 SER 52 -0.130 -1.543 -2.046 431 HG SER 52 HG SER 52 -1.153 -3.329 -2.616 432 H ILE 53 HN ILE 53 -1.323 1.765 -1.440 433 HA ILE 53 HA ILE 53 -4.021 2.644 -2.268 434 HB ILE 53 HB ILE 53 -1.894 4.195 -0.738 435 HG12 ILE 53 HG12 ILE 53 -3.801 4.174 1.026 436 HG13 ILE 53 HG11 ILE 53 -4.395 2.786 0.131 437 HG21 ILE 53 HG21 ILE 53 -3.121 5.753 -2.039 438 HG22 ILE 53 HG22 ILE 53 -3.740 5.839 -0.379 439 HG23 ILE 53 HG23 ILE 53 -4.658 4.981 -1.615 440 HD11 ILE 53 HD11 ILE 53 -2.928 2.355 2.154 441 HD12 ILE 53 HD12 ILE 53 -1.582 2.903 1.154 442 HD13 ILE 53 HD13 ILE 53 -2.526 1.496 0.667 443 H CYS 54 HN CYS 54 -3.897 4.734 -3.679 444 HA CYS 54 HA CYS 54 -1.604 4.468 -5.476 445 HB2 CYS 54 HB2 CYS 54 -3.056 5.030 -7.329 446 HB3 CYS 54 HB1 CYS 54 -3.661 3.636 -6.470 447 H SER 55 HN SER 55 -1.007 6.318 -6.713 448 HA SER 55 HA SER 55 -0.031 8.368 -5.228 449 HB2 SER 55 HB2 SER 55 0.330 9.513 -7.451 450 HB3 SER 55 HB1 SER 55 0.904 7.849 -7.330 451 HG SER 55 HG SER 55 -0.742 8.824 -9.112 452 H GLU 56 HN GLU 56 -2.687 8.879 -7.496 453 HA GLU 56 HA GLU 56 -3.315 11.435 -7.325 454 HB2 GLU 56 HB2 GLU 56 -5.820 10.468 -7.248 455 HB3 GLU 56 HB1 GLU 56 -4.779 10.365 -8.665 456 HG2 GLU 56 HG2 GLU 56 -4.392 8.138 -8.396 457 HG3 GLU 56 HG1 GLU 56 -4.610 8.189 -6.658 458 H HIS 57 HN HIS 57 -3.676 9.357 -4.568 459 HA HIS 57 HA HIS 57 -5.596 11.073 -3.272 460 HB2 HIS 57 HB2 HIS 57 -4.067 8.669 -2.288 461 HB3 HIS 57 HB1 HIS 57 -5.317 9.511 -1.370 462 HD1 HIS 57 HD1 HIS 57 -7.609 9.815 -3.165 463 HD2 HIS 57 HD2 HIS 57 -5.127 6.489 -3.412 464 HE1 HIS 57 HE1 HIS 57 -8.944 8.027 -4.347 465 H PHE 58 HN PHE 58 -2.157 11.086 -3.472 466 HA PHE 58 HA PHE 58 -2.169 13.066 -1.290 467 HB2 PHE 58 HB2 PHE 58 0.433 11.907 -1.328 468 HB3 PHE 58 HB1 PHE 58 -0.758 11.883 -0.016 469 HD1 PHE 58 HD1 PHE 58 0.540 10.111 -2.920 470 HD2 PHE 58 HD2 PHE 58 -1.968 9.875 0.497 471 HE1 PHE 58 HE1 PHE 58 0.400 7.699 -3.209 472 HE2 PHE 58 HE2 PHE 58 -2.116 7.439 0.221 473 HZ PHE 58 HZ PHE 58 -0.931 6.342 -1.635 474 H THR 59 HN THR 59 -0.199 14.428 -1.349 475 HA THR 59 HA THR 59 0.144 15.466 -3.994 476 HB THR 59 HB THR 59 1.876 16.908 -2.604 477 HG1 THR 59 HG1 THR 59 1.197 16.981 -0.394 478 HG21 THR 59 HG21 THR 59 -1.117 16.968 -2.572 479 HG22 THR 59 HG22 THR 59 0.006 17.970 -3.496 480 HG23 THR 59 HG23 THR 59 -0.178 18.222 -1.762 481 HA PRO 60 HA PRO 60 3.648 13.254 -5.458 482 HB2 PRO 60 HB2 PRO 60 5.083 15.565 -6.244 483 HB3 PRO 60 HB1 PRO 60 3.969 14.634 -7.254 484 HG2 PRO 60 HG2 PRO 60 3.462 17.110 -5.694 485 HG3 PRO 60 HG1 PRO 60 2.835 16.629 -7.280 486 HD2 PRO 60 HD2 PRO 60 1.285 16.489 -5.158 487 HD3 PRO 60 HD1 PRO 60 1.285 15.162 -6.340 488 H ASP 61 HN ASP 61 4.083 16.120 -3.498 489 HA ASP 61 HA ASP 61 6.753 15.768 -2.712 490 HB2 ASP 61 HB2 ASP 61 4.607 16.816 -0.876 491 HB3 ASP 61 HB1 ASP 61 6.303 17.287 -0.943 492 H SER 62 HN SER 62 3.755 14.510 -1.341 493 HA SER 62 HA SER 62 5.200 13.070 0.733 494 HB2 SER 62 HB2 SER 62 2.848 14.342 0.824 495 HB3 SER 62 HB1 SER 62 2.277 12.718 0.420 496 HG SER 62 HG SER 62 2.646 12.179 2.405 497 H PHE 63 HN PHE 63 4.487 12.495 -2.392 498 HA PHE 63 HA PHE 63 3.170 10.222 -2.784 499 HB2 PHE 63 HB2 PHE 63 5.587 11.259 -4.094 500 HB3 PHE 63 HB1 PHE 63 5.227 9.567 -4.348 501 HD1 PHE 63 HD2 PHE 63 2.087 10.297 -4.067 502 HD2 PHE 63 HD1 PHE 63 5.319 11.529 -6.539 503 HE1 PHE 63 HE2 PHE 63 0.496 10.870 -5.820 504 HE2 PHE 63 HE1 PHE 63 3.725 12.117 -8.318 505 HZ PHE 63 HZ PHE 63 1.311 11.789 -7.963 506 H LYS 64 HN LYS 64 6.614 10.042 -1.712 507 HA LYS 64 HA LYS 64 6.145 7.715 -0.190 508 HB2 LYS 64 HB2 LYS 64 7.303 6.036 -1.611 509 HB3 LYS 64 HB1 LYS 64 5.789 6.601 -2.292 510 HG2 LYS 64 HG2 LYS 64 6.920 7.974 -3.888 511 HG3 LYS 64 HG1 LYS 64 8.478 7.678 -3.111 512 HD2 LYS 64 HD2 LYS 64 8.589 6.195 -4.857 513 HD3 LYS 64 HD1 LYS 64 7.883 5.166 -3.611 514 HE2 LYS 64 HE2 LYS 64 5.629 6.098 -4.602 515 HE3 LYS 64 HE1 LYS 64 6.626 6.361 -6.030 516 HZ1 LYS 64 HZ1 LYS 64 7.300 3.972 -5.824 517 HZ2 LYS 64 HZ2 LYS 64 5.683 4.216 -6.236 518 HZ3 LYS 64 HZ3 LYS 64 6.093 3.789 -4.650 519 H ARG 65 HN ARG 65 8.802 6.551 -1.178 520 HA ARG 65 HA ARG 65 10.479 7.689 0.749 521 HB2 ARG 65 HB2 ARG 65 12.291 6.379 -0.496 522 HB3 ARG 65 HB1 ARG 65 10.953 5.470 0.189 523 HG2 ARG 65 HG2 ARG 65 9.946 5.749 -2.222 524 HG3 ARG 65 HG1 ARG 65 11.635 6.002 -2.662 525 HD2 ARG 65 HD2 ARG 65 11.003 3.684 -0.919 526 HD3 ARG 65 HD1 ARG 65 10.521 3.583 -2.611 527 HE ARG 65 HE ARG 65 13.093 4.369 -2.792 528 HH11 ARG 65 HH11 ARG 65 11.563 1.799 -0.945 529 HH12 ARG 65 HH12 ARG 65 12.923 0.731 -1.068 530 HH21 ARG 65 HH21 ARG 65 14.882 2.956 -2.970 531 HH22 ARG 65 HH22 ARG 65 14.825 1.390 -2.226 532 H GLU 66 HN GLU 66 9.704 8.858 -2.306 533 HA GLU 66 HA GLU 66 12.205 10.233 -2.743 534 HB2 GLU 66 HB2 GLU 66 9.605 10.626 -4.273 535 HB3 GLU 66 HB1 GLU 66 11.225 11.100 -4.767 536 HG2 GLU 66 HG2 GLU 66 11.768 8.589 -4.608 537 HG3 GLU 66 HG1 GLU 66 10.018 8.369 -4.641 538 H SER 67 HN SER 67 9.996 10.605 -0.513 539 HA SER 67 HA SER 67 9.265 13.343 -0.699 540 HB2 SER 67 HB2 SER 67 7.839 11.969 0.567 541 HB3 SER 67 HB1 SER 67 9.162 11.237 1.454 542 HG SER 67 HG SER 67 8.291 12.639 2.856 543 H ASN 68 HN ASN 68 10.556 12.631 2.370 544 HA ASN 68 HA ASN 68 12.612 14.670 2.000 545 HB2 ASN 68 HB2 ASN 68 10.910 13.792 4.225 546 HB3 ASN 68 HB1 ASN 68 12.572 14.133 4.685 547 HD21 ASN 68 HD21 ASN 68 12.053 15.929 5.870 548 HD22 ASN 68 HD22 ASN 68 11.523 17.410 5.151 549 H ASN 69 HN ASN 69 12.460 11.862 4.173 550 HA ASN 69 HA ASN 69 15.317 11.439 3.711 551 HB2 ASN 69 HB2 ASN 69 14.822 11.608 6.020 552 HB3 ASN 69 HB1 ASN 69 13.408 10.575 5.872 553 HD21 ASN 69 HD21 ASN 69 13.963 9.080 7.356 554 HD22 ASN 69 HD22 ASN 69 15.308 8.007 7.192 555 H LYS 70 HN LYS 70 12.609 9.221 4.393 556 HA LYS 70 HA LYS 70 13.275 7.729 1.991 557 HB2 LYS 70 HB2 LYS 70 14.544 6.954 4.199 558 HB3 LYS 70 HB1 LYS 70 13.030 6.109 4.482 559 HG2 LYS 70 HG2 LYS 70 14.621 4.641 3.395 560 HG3 LYS 70 HG1 LYS 70 13.270 4.970 2.313 561 HD2 LYS 70 HD2 LYS 70 15.275 5.080 1.023 562 HD3 LYS 70 HD1 LYS 70 14.685 6.730 1.222 563 HE2 LYS 70 HE2 LYS 70 16.286 7.052 3.069 564 HE3 LYS 70 HE1 LYS 70 16.898 5.419 2.800 565 HZ1 LYS 70 HZ1 LYS 70 18.204 7.268 1.740 566 HZ2 LYS 70 HZ2 LYS 70 16.904 7.500 0.688 567 HZ3 LYS 70 HZ3 LYS 70 17.735 6.028 0.691 568 H LEU 71 HN LEU 71 10.975 9.108 3.829 569 HA LEU 71 HA LEU 71 8.922 7.502 2.579 570 HB2 LEU 71 HB2 LEU 71 9.596 7.080 5.267 571 HB3 LEU 71 HB1 LEU 71 8.102 7.995 5.291 572 HG LEU 71 HG LEU 71 8.507 5.203 4.770 573 HD11 LEU 71 HD11 LEU 71 6.094 5.143 5.066 574 HD12 LEU 71 HD12 LEU 71 6.035 6.901 4.936 575 HD13 LEU 71 HD13 LEU 71 6.866 6.144 6.295 576 HD21 LEU 71 HD21 LEU 71 8.526 5.648 2.428 577 HD22 LEU 71 HD22 LEU 71 7.162 6.759 2.568 578 HD23 LEU 71 HD23 LEU 71 6.928 5.034 2.845 579 H LEU 72 HN LEU 72 6.670 8.467 3.313 580 HA LEU 72 HA LEU 72 6.503 11.032 2.215 581 HB2 LEU 72 HB2 LEU 72 4.319 10.442 4.040 582 HB3 LEU 72 HB1 LEU 72 4.283 10.745 2.313 583 HG LEU 72 HG LEU 72 5.284 8.197 2.394 584 HD11 LEU 72 HD11 LEU 72 4.275 6.925 4.023 585 HD12 LEU 72 HD12 LEU 72 3.065 8.152 4.381 586 HD13 LEU 72 HD13 LEU 72 4.728 8.377 4.921 587 HD21 LEU 72 HD21 LEU 72 3.556 8.901 0.894 588 HD22 LEU 72 HD22 LEU 72 2.427 9.133 2.229 589 HD23 LEU 72 HD23 LEU 72 2.968 7.507 1.806 590 H LYS 73 HN LYS 73 5.368 12.898 3.329 591 HA LYS 73 HA LYS 73 6.961 13.639 5.600 592 HB2 LYS 73 HB2 LYS 73 4.924 15.551 5.360 593 HB3 LYS 73 HB1 LYS 73 6.580 15.698 4.811 594 HG2 LYS 73 HG2 LYS 73 4.368 14.553 3.122 595 HG3 LYS 73 HG1 LYS 73 4.804 16.258 3.131 596 HD2 LYS 73 HD2 LYS 73 6.648 13.986 2.401 597 HD3 LYS 73 HD1 LYS 73 5.810 15.027 1.253 598 HE2 LYS 73 HE2 LYS 73 7.676 16.125 3.339 599 HE3 LYS 73 HE1 LYS 73 8.252 15.552 1.775 600 HZ1 LYS 73 HZ1 LYS 73 7.185 17.245 0.663 601 HZ2 LYS 73 HZ2 LYS 73 7.667 18.032 2.078 602 HZ3 LYS 73 HZ3 LYS 73 6.067 17.524 1.900 603 H GLU 74 HN GLU 74 6.495 13.199 7.570 604 HA GLU 74 HA GLU 74 4.385 11.714 8.490 605 HB2 GLU 74 HB2 GLU 74 5.093 12.225 10.697 606 HB3 GLU 74 HB1 GLU 74 6.519 12.134 9.678 607 HG2 GLU 74 HG2 GLU 74 5.187 14.729 10.329 608 HG3 GLU 74 HG1 GLU 74 6.404 14.009 11.383 609 H ASN 75 HN ASN 75 4.355 15.020 7.763 610 HA ASN 75 HA ASN 75 1.917 15.510 9.318 611 HB2 ASN 75 HB2 ASN 75 4.096 17.182 8.263 612 HB3 ASN 75 HB1 ASN 75 2.488 17.884 8.166 613 HD21 ASN 75 HD21 ASN 75 3.280 15.619 10.664 614 HD22 ASN 75 HD22 ASN 75 3.310 16.751 11.961 615 H ALA 76 HN ALA 76 2.370 14.126 6.560 616 HA ALA 76 HA ALA 76 0.246 15.629 5.170 617 HB1 ALA 76 HB1 ALA 76 2.379 13.946 3.850 618 HB2 ALA 76 HB2 ALA 76 2.423 15.702 3.990 619 HB3 ALA 76 HB3 ALA 76 1.153 14.925 3.046 620 H VAL 77 HN VAL 77 -1.587 14.653 4.803 621 HA VAL 77 HA VAL 77 -1.652 11.726 4.690 622 HB VAL 77 HB VAL 77 -2.406 11.989 6.866 623 HG11 VAL 77 HG11 VAL 77 -3.740 13.701 7.766 624 HG12 VAL 77 HG12 VAL 77 -4.183 14.299 6.162 625 HG13 VAL 77 HG13 VAL 77 -2.529 14.488 6.746 626 HG21 VAL 77 HG21 VAL 77 -4.881 12.083 5.152 627 HG22 VAL 77 HG22 VAL 77 -4.877 11.671 6.867 628 HG23 VAL 77 HG23 VAL 77 -4.021 10.651 5.711 629 HA PRO 78 HA PRO 78 -3.706 12.230 0.816 630 HB2 PRO 78 HB2 PRO 78 -5.468 10.063 1.170 631 HB3 PRO 78 HB1 PRO 78 -3.851 9.989 0.449 632 HG2 PRO 78 HG2 PRO 78 -4.716 9.357 3.206 633 HG3 PRO 78 HG1 PRO 78 -3.463 8.600 2.202 634 HD2 PRO 78 HD2 PRO 78 -2.801 10.234 4.184 635 HD3 PRO 78 HD1 PRO 78 -1.911 10.266 2.648 636 H THR 79 HN THR 79 -4.905 14.042 0.863 637 HA THR 79 HA THR 79 -7.561 13.949 2.110 638 HB THR 79 HB THR 79 -5.989 15.792 2.749 639 HG1 THR 79 HG1 THR 79 -7.841 16.726 3.141 640 HG21 THR 79 HG21 THR 79 -6.374 16.601 -0.121 641 HG22 THR 79 HG22 THR 79 -4.855 16.229 0.696 642 HG23 THR 79 HG23 THR 79 -5.760 17.678 1.134 643 H ILE 80 HN ILE 80 -5.936 13.782 -0.818 644 HA ILE 80 HA ILE 80 -7.869 15.021 -2.530 645 HB ILE 80 HB ILE 80 -5.939 12.981 -3.545 646 HG12 ILE 80 HG12 ILE 80 -4.970 14.745 -1.767 647 HG13 ILE 80 HG11 ILE 80 -4.054 14.203 -3.167 648 HG21 ILE 80 HG21 ILE 80 -5.781 14.587 -5.417 649 HG22 ILE 80 HG22 ILE 80 -6.961 15.611 -4.597 650 HG23 ILE 80 HG23 ILE 80 -7.419 13.993 -5.132 651 HD11 ILE 80 HD11 ILE 80 -5.620 16.759 -2.943 652 HD12 ILE 80 HD12 ILE 80 -4.748 16.215 -4.378 653 HD13 ILE 80 HD13 ILE 80 -3.866 16.585 -2.896 654 H PHE 81 HN PHE 81 -8.315 12.431 -0.699 655 HA PHE 81 HA PHE 81 -9.051 10.246 -2.158 656 HB2 PHE 81 HB2 PHE 81 -10.186 11.462 0.322 657 HB3 PHE 81 HB1 PHE 81 -10.994 10.084 -0.408 658 HD1 PHE 81 HD2 PHE 81 -7.568 9.822 -1.097 659 HD2 PHE 81 HD1 PHE 81 -10.395 9.294 2.037 660 HE1 PHE 81 HE2 PHE 81 -6.019 8.291 0.034 661 HE2 PHE 81 HE1 PHE 81 -8.841 7.761 3.177 662 HZ PHE 81 HZ PHE 81 -6.639 7.261 2.170 663 H LEU 82 HN LEU 82 -11.186 13.041 -1.505 664 HA LEU 82 HA LEU 82 -12.447 12.857 -4.048 665 HB2 LEU 82 HB2 LEU 82 -13.636 11.432 -1.762 666 HB3 LEU 82 HB1 LEU 82 -14.746 12.476 -2.621 667 HG LEU 82 HG LEU 82 -13.380 9.982 -3.556 668 HD11 LEU 82 HD11 LEU 82 -15.665 10.021 -2.543 669 HD12 LEU 82 HD12 LEU 82 -15.583 9.336 -4.166 670 HD13 LEU 82 HD13 LEU 82 -16.194 10.974 -3.929 671 HD21 LEU 82 HD21 LEU 82 -14.466 12.150 -5.350 672 HD22 LEU 82 HD22 LEU 82 -14.147 10.496 -5.859 673 HD23 LEU 82 HD23 LEU 82 -12.819 11.518 -5.318 674 H GLU 83 HN GLU 83 -14.387 14.370 -4.154 675 HA GLU 83 HA GLU 83 -13.745 16.831 -2.871 676 HB2 GLU 83 HB2 GLU 83 -14.694 16.701 -5.156 677 HB3 GLU 83 HB1 GLU 83 -16.183 16.048 -4.493 678 HG2 GLU 83 HG2 GLU 83 -16.487 18.368 -4.979 679 HG3 GLU 83 HG1 GLU 83 -16.502 18.144 -3.229 680 H LEU 84 HN LEU 84 -16.452 14.544 -2.683 681 HA LEU 84 HA LEU 84 -16.772 14.939 0.117 682 HB2 LEU 84 HB2 LEU 84 -17.952 16.922 -1.255 683 HB3 LEU 84 HB1 LEU 84 -19.241 15.736 -1.327 684 HG LEU 84 HG LEU 84 -19.448 17.381 0.540 685 HD11 LEU 84 HD11 LEU 84 -19.892 15.671 2.308 686 HD12 LEU 84 HD12 LEU 84 -19.189 14.465 1.231 687 HD13 LEU 84 HD13 LEU 84 -20.644 15.336 0.750 688 HD21 LEU 84 HD21 LEU 84 -18.007 17.316 2.417 689 HD22 LEU 84 HD22 LEU 84 -16.977 17.465 0.993 690 HD23 LEU 84 HD23 LEU 84 -17.151 15.907 1.799 691 H VAL 85 HN VAL 85 -19.191 14.251 -2.420 692 HA VAL 85 HA VAL 85 -19.052 11.427 -1.838 693 HB VAL 85 HB VAL 85 -20.593 12.009 -0.150 694 HG11 VAL 85 HG11 VAL 85 -22.154 13.588 -2.188 695 HG12 VAL 85 HG12 VAL 85 -21.132 14.269 -0.922 696 HG13 VAL 85 HG13 VAL 85 -22.584 13.362 -0.493 697 HG21 VAL 85 HG21 VAL 85 -22.725 10.967 -0.924 698 HG22 VAL 85 HG22 VAL 85 -21.277 10.036 -1.313 699 HG23 VAL 85 HG23 VAL 85 -22.076 10.990 -2.564 700 HA PRO 86 HA PRO 86 -19.853 11.528 -6.212 701 HB2 PRO 86 HB2 PRO 86 -20.077 8.668 -6.228 702 HB3 PRO 86 HB1 PRO 86 -18.704 9.657 -6.742 703 HG2 PRO 86 HG2 PRO 86 -18.762 7.984 -4.539 704 HG3 PRO 86 HG1 PRO 86 -17.575 9.257 -4.857 705 HD2 PRO 86 HD2 PRO 86 -19.847 9.248 -2.978 706 HD3 PRO 86 HD1 PRO 86 -18.335 10.168 -2.931 707 H ARG 87 HN ARG 87 -21.444 10.615 -7.752 708 HA ARG 87 HA ARG 87 -23.840 9.421 -6.770 709 HB2 ARG 87 HB2 ARG 87 -25.202 11.470 -7.742 710 HB3 ARG 87 HB1 ARG 87 -24.695 11.430 -6.062 711 HG2 ARG 87 HG2 ARG 87 -24.090 13.554 -6.625 712 HG3 ARG 87 HG1 ARG 87 -22.593 12.700 -7.002 713 HD2 ARG 87 HD2 ARG 87 -23.152 14.228 -8.793 714 HD3 ARG 87 HD1 ARG 87 -23.286 12.565 -9.358 715 HE ARG 87 HE ARG 87 -25.583 14.289 -8.667 716 HH11 ARG 87 HH11 ARG 87 -24.183 11.627 -10.462 717 HH12 ARG 87 HH12 ARG 87 -25.591 11.401 -11.453 718 HH21 ARG 87 HH21 ARG 87 -27.445 13.960 -9.948 719 HH22 ARG 87 HH22 ARG 87 -27.447 12.711 -11.151 720 H5' DG 1 H5' G 1 32.325 -0.622 -7.213 721 H5'' DG 1 H5'' G 1 31.582 -1.209 -8.712 722 H4' DG 1 H4' G 1 31.963 -3.117 -7.411 723 H3' DG 1 H3' G 1 29.469 -2.788 -8.247 724 H2' DG 1 H2' G 1 28.601 -1.496 -6.428 725 H2'' DG 1 H2'' G 1 28.162 -3.116 -5.906 726 H1' DG 1 H1' G 1 29.961 -3.273 -4.377 727 H8 DG 1 H8 G 1 29.324 0.344 -5.564 728 H1 DG 1 H1 G 1 30.004 -0.448 0.762 729 H21 DG 1 H21 G 1 30.691 -3.750 -0.024 730 H22 DG 1 H22 G 1 30.513 -2.546 1.227 731 HO5' DG 1 H5T G 1 29.539 -0.650 -7.815 732 H5' DC 2 H5' C 2 30.182 -6.113 -5.165 733 H5'' DC 2 H5'' C 2 29.678 -7.599 -5.991 734 H4' DC 2 H4' C 2 29.539 -8.087 -3.708 735 H3' DC 2 H3' C 2 27.315 -8.488 -5.093 736 H2' DC 2 H2' C 2 26.310 -6.325 -4.872 737 H2'' DC 2 H2'' C 2 25.556 -7.172 -3.529 738 H1' DC 2 H1' C 2 27.013 -6.217 -1.918 739 H41 DC 2 H41 C 2 26.224 -0.120 -4.382 740 H42 DC 2 H42 C 2 26.329 0.033 -2.651 741 H5 DC 2 H5 C 2 26.473 -2.254 -5.541 742 H6 DC 2 H6 C 2 26.936 -4.631 -5.252 743 H5' DT 3 H5' T 3 27.034 -8.747 -0.492 744 H5'' DT 3 H5'' T 3 26.537 -10.436 -0.262 745 H4' DT 3 H4' T 3 25.935 -9.376 1.719 746 H3' DT 3 H3' T 3 23.931 -10.579 0.465 747 H2' DT 3 H2' T 3 23.181 -8.772 -0.918 748 H2'' DT 3 H2'' T 3 22.118 -8.583 0.469 749 H1' DT 3 H1' T 3 23.398 -6.823 1.396 750 H3 DT 3 H3 T 3 23.661 -3.066 -0.984 751 H71 DT 3 H71 T 3 24.191 -7.144 -4.462 752 H72 DT 3 H72 T 3 22.677 -6.229 -4.652 753 H73 DT 3 H73 T 3 24.240 -5.437 -4.963 754 H6 DT 3 H6 T 3 23.952 -7.686 -2.135 755 H5' DT 4 H5' T 4 23.139 -7.850 3.977 756 H5'' DT 4 H5'' T 4 22.484 -8.969 5.188 757 H4' DT 4 H4' T 4 21.904 -6.856 5.969 758 H3' DT 4 H3' T 4 19.854 -8.496 5.626 759 H2' DT 4 H2' T 4 19.320 -7.991 3.342 760 H2'' DT 4 H2'' T 4 18.220 -6.910 4.185 761 H1' DT 4 H1' T 4 19.612 -5.015 3.877 762 H3 DT 4 H3 T 4 20.273 -3.667 -0.307 763 H71 DT 4 H71 T 4 19.498 -8.522 -1.163 764 H72 DT 4 H72 T 4 21.065 -7.978 -1.806 765 H73 DT 4 H73 T 4 21.005 -8.980 -0.336 766 H6 DT 4 H6 T 4 20.324 -7.959 1.776 767 H5' DG 5 H5' G 5 18.929 -3.974 6.682 768 H5'' DG 5 H5'' G 5 18.043 -4.237 8.198 769 H4' DG 5 H4' G 5 17.359 -2.131 7.495 770 H3' DG 5 H3' G 5 15.388 -3.869 7.817 771 H2' DG 5 H2' G 5 15.324 -4.810 5.615 772 H2'' DG 5 H2'' G 5 14.102 -3.556 5.468 773 H1' DG 5 H1' G 5 15.571 -2.060 4.346 774 H8 DG 5 H8 G 5 16.796 -5.716 4.370 775 H1 DG 5 H1 G 5 17.071 -2.722 -1.292 776 H21 DG 5 H21 G 5 16.076 0.097 0.504 777 H22 DG 5 H22 G 5 16.513 -0.573 -1.053 778 H5' DT 6 H5' T 6 14.263 0.189 5.797 779 H5'' DT 6 H5'' T 6 13.097 0.816 6.978 780 H4' DT 6 H4' T 6 12.572 1.934 5.009 781 H3' DT 6 H3' T 6 10.573 0.538 6.048 782 H2' DT 6 H2' T 6 10.941 -1.557 4.956 783 H2'' DT 6 H2'' T 6 9.761 -0.826 3.883 784 H1' DT 6 H1' T 6 11.411 -0.149 2.308 785 H3 DT 6 H3 T 6 13.700 -3.404 0.262 786 H71 DT 6 H71 T 6 12.301 -5.996 4.093 787 H72 DT 6 H72 T 6 12.892 -4.916 5.378 788 H73 DT 6 H73 T 6 14.050 -5.770 4.330 789 H6 DT 6 H6 T 6 12.245 -2.749 4.756 790 H5' DG 7 H5' G 7 10.284 2.690 2.058 791 H5'' DG 7 H5'' G 7 8.851 3.726 2.200 792 H4' DG 7 H4' G 7 9.261 3.607 -0.087 793 H3' DG 7 H3' G 7 6.836 2.818 0.630 794 H2' DG 7 H2' G 7 7.272 0.491 1.005 795 H2'' DG 7 H2'' G 7 6.715 0.460 -0.664 796 H1' DG 7 H1' G 7 8.909 0.309 -1.547 797 H8 DG 7 H8 G 7 9.171 -0.285 2.273 798 H1 DG 7 H1 G 7 11.077 -5.116 -1.489 799 H21 DG 7 H21 G 7 10.351 -2.953 -4.102 800 H22 DG 7 H22 G 7 10.919 -4.534 -3.618 801 H5' DT 8 H5' T 8 8.051 1.169 -3.586 802 H5'' DT 8 H5'' T 8 6.983 2.249 -4.504 803 H4' DT 8 H4' T 8 7.220 0.436 -5.921 804 H3' DT 8 H3' T 8 4.720 0.894 -5.158 805 H2' DT 8 H2' T 8 4.655 -0.470 -3.188 806 H2'' DT 8 H2'' T 8 4.001 -1.582 -4.378 807 H1' DT 8 H1' T 8 6.071 -2.718 -4.654 808 H3 DT 8 H3 T 8 7.495 -5.011 -1.131 809 H71 DT 8 H71 T 8 6.758 -1.260 1.655 810 H72 DT 8 H72 T 8 5.676 -0.253 0.666 811 H73 DT 8 H73 T 8 5.051 -1.720 1.453 812 H6 DT 8 H6 T 8 5.702 -0.617 -1.637 813 H5' DG 9 H5' G 9 4.747 -3.973 -7.031 814 H5'' DG 9 H5'' G 9 4.005 -3.110 -8.394 815 H4' DG 9 H4' G 9 2.921 -5.137 -8.448 816 H3' DG 9 H3' G 9 1.283 -3.104 -7.980 817 H2' DG 9 H2' G 9 1.331 -3.060 -5.606 818 H2'' DG 9 H2'' G 9 -0.073 -4.090 -5.868 819 H1' DG 9 H1' G 9 1.128 -6.086 -5.455 820 H8 DG 9 H8 G 9 1.979 -2.872 -3.797 821 H1 DG 9 H1 G 9 4.172 -8.013 -0.646 822 H21 DG 9 H21 G 9 3.649 -9.696 -3.617 823 H22 DG 9 H22 G 9 4.211 -9.769 -1.966 824 H5' DG 10 H5' G 10 0.082 -7.293 -7.961 825 H5'' DG 10 H5'' G 10 -1.106 -7.383 -9.270 826 H4' DG 10 H4' G 10 -1.309 -9.419 -8.199 827 H3' DG 10 H3' G 10 -3.560 -8.017 -8.253 828 H2' DG 10 H2' G 10 -3.348 -6.805 -6.194 829 H2'' DG 10 H2'' G 10 -4.267 -8.204 -5.646 830 H1' DG 10 H1' G 10 -2.394 -9.301 -4.773 831 H8 DG 10 H8 G 10 -1.881 -5.492 -5.213 832 H1 DG 10 H1 G 10 0.027 -8.101 0.334 833 H21 DG 10 H21 G 10 -0.436 -11.114 -1.288 834 H22 DG 10 H22 G 10 0.059 -10.303 0.175 835 H5' DG 11 H5' G 11 -3.130 -11.522 -5.309 836 H5'' DG 11 H5'' G 11 -3.756 -12.493 -6.658 837 H4' DG 11 H4' G 11 -3.797 -13.973 -4.886 838 H3' DG 11 H3' G 11 -6.178 -13.508 -5.951 839 H2' DG 11 H2' G 11 -6.874 -11.670 -4.612 840 H2'' DG 11 H2'' G 11 -7.579 -12.995 -3.696 841 H1' DG 11 H1' G 11 -5.858 -12.991 -2.071 842 H8 DG 11 H8 G 11 -6.135 -9.770 -4.170 843 H1 DG 11 H1 G 11 -5.052 -8.924 2.106 844 H21 DG 11 H21 G 11 -4.585 -12.351 2.180 845 H22 DG 11 H22 G 11 -4.596 -10.846 3.062 846 H5' DC 12 H5' C 12 -6.036 -16.123 -2.125 847 H5'' DC 12 H5'' C 12 -6.653 -17.659 -2.765 848 H4' DC 12 H4' C 12 -6.988 -17.795 -0.465 849 H3' DC 12 H3' C 12 -9.183 -18.105 -1.915 850 H2' DC 12 H2' C 12 -9.906 -15.833 -2.054 851 H2'' DC 12 H2'' C 12 -10.817 -16.368 -0.647 852 H1' DC 12 H1' C 12 -9.322 -15.362 0.886 853 H41 DC 12 H41 C 12 -9.195 -9.701 -2.512 854 H42 DC 12 H42 C 12 -9.097 -9.286 -0.821 855 H5 DC 12 H5 C 12 -9.146 -11.992 -3.322 856 H6 DC 12 H6 C 12 -9.047 -14.332 -2.652 857 H5' DA 13 H5' A 13 -9.638 -18.215 2.857 858 H5'' DA 13 H5'' A 13 -10.580 -19.708 3.031 859 H4' DA 13 H4' A 13 -10.921 -18.342 4.960 860 H3' DA 13 H3' A 13 -13.034 -19.430 3.789 861 H2' DA 13 H2' A 13 -13.541 -17.713 2.198 862 H2'' DA 13 H2'' A 13 -14.590 -17.238 3.526 863 H1' DA 13 H1' A 13 -13.117 -15.539 4.276 864 H8 DA 13 H8 A 13 -12.372 -16.667 0.637 865 H61 DA 13 H61 A 13 -12.063 -12.184 -1.265 866 H62 DA 13 H62 A 13 -12.118 -10.578 -0.573 867 H2 DA 13 H2 A 13 -12.656 -11.129 3.854 868 H5' DG 14 H5' G 14 -13.964 -16.398 7.479 869 H5'' DG 14 H5'' G 14 -14.928 -17.528 8.450 870 H4' DG 14 H4' G 14 -15.584 -15.355 9.085 871 H3' DG 14 H3' G 14 -17.526 -17.022 8.396 872 H2' DG 14 H2' G 14 -17.616 -16.576 6.047 873 H2'' DG 14 H2'' G 14 -18.857 -15.480 6.635 874 H1' DG 14 H1' G 14 -17.434 -13.582 6.522 875 H8 DG 14 H8 G 14 -16.202 -16.603 4.475 876 H1 DG 14 H1 G 14 -15.983 -10.909 1.514 877 H21 DG 14 H21 G 14 -16.853 -9.625 4.608 878 H22 DG 14 H22 G 14 -16.468 -9.287 2.940 879 H5' DC 15 H5' C 15 -18.945 -12.494 9.509 880 H5'' DC 15 H5'' C 15 -20.359 -12.854 10.517 881 H4' DC 15 H4' C 15 -20.659 -10.698 9.548 882 H3' DC 15 H3' C 15 -22.630 -12.476 9.404 883 H2' DC 15 H2' C 15 -22.120 -13.521 7.358 884 H2'' DC 15 H2'' C 15 -23.216 -12.280 6.778 885 H1' DC 15 H1' C 15 -21.466 -10.880 6.018 886 H41 DC 15 H41 C 15 -18.872 -16.062 2.877 887 H42 DC 15 H42 C 15 -18.641 -14.662 1.866 888 H5 DC 15 H5 C 15 -19.749 -15.896 5.153 889 H6 DC 15 H6 C 15 -20.633 -14.367 6.837 890 H5' DG 16 H5' G 16 -25.318 -8.015 8.891 891 H5'' DG 16 H5'' G 16 -26.849 -8.778 8.445 892 H4' DG 16 H4' G 16 -26.441 -6.517 7.464 893 H3' DG 16 H3' G 16 -27.764 -8.490 6.272 894 H2' DG 16 H2' G 16 -26.193 -9.559 5.051 895 H2'' DG 16 H2'' G 16 -26.662 -8.375 3.839 896 H1' DG 16 H1' G 16 -24.737 -7.080 4.178 897 H8 DG 16 H8 G 16 -23.563 -9.610 6.785 898 H1 DG 16 H1 G 16 -22.441 -11.401 0.736 899 H21 DG 16 H21 G 16 -23.948 -8.420 -0.147 900 H22 DG 16 H22 G 16 -23.143 -9.884 -0.661 901 H5' DC 17 H5' C 17 -23.982 -15.030 -5.930 902 H5'' DC 17 H5'' C 17 -22.580 -15.370 -6.958 903 H4' DC 17 H4' C 17 -23.077 -12.985 -6.838 904 H3' DC 17 H3' C 17 -20.577 -13.865 -6.843 905 H2' DC 17 H2' C 17 -20.274 -14.222 -4.489 906 H2'' DC 17 H2'' C 17 -19.630 -12.595 -4.663 907 H1' DC 17 H1' C 17 -21.600 -11.573 -3.846 908 H41 DC 17 H41 C 17 -21.642 -15.658 1.302 909 H42 DC 17 H42 C 17 -22.142 -14.093 1.899 910 H5 DC 17 H5 C 17 -21.338 -16.157 -1.035 911 H6 DC 17 H6 C 17 -21.304 -15.210 -3.284 912 H5' DG 18 H5' G 18 -21.224 -9.373 -5.793 913 H5'' DG 18 H5'' G 18 -20.270 -8.528 -7.027 914 H4' DG 18 H4' G 18 -20.511 -7.033 -5.222 915 H3' DG 18 H3' G 18 -18.042 -7.441 -6.090 916 H2' DG 18 H2' G 18 -17.438 -9.312 -4.719 917 H2'' DG 18 H2'' G 18 -16.809 -7.983 -3.757 918 H1' DG 18 H1' G 18 -18.655 -7.993 -2.272 919 H8 DG 18 H8 G 18 -18.199 -11.228 -4.300 920 H1 DG 18 H1 G 18 -19.536 -11.982 1.930 921 H21 DG 18 H21 G 18 -20.021 -8.559 1.916 922 H22 DG 18 H22 G 18 -20.026 -10.038 2.848 923 H5' DC 19 H5' C 19 -18.615 -5.213 -2.161 924 H5'' DC 19 H5'' C 19 -17.983 -3.593 -2.510 925 H4' DC 19 H4' C 19 -17.972 -3.733 -0.190 926 H3' DC 19 H3' C 19 -15.603 -3.218 -1.258 927 H2' DC 19 H2' C 19 -14.797 -5.452 -1.560 928 H2'' DC 19 H2'' C 19 -14.113 -5.075 0.015 929 H1' DC 19 H1' C 19 -15.775 -6.267 1.192 930 H41 DC 19 H41 C 19 -15.280 -11.539 -2.795 931 H42 DC 19 H42 C 19 -15.518 -12.110 -1.162 932 H5 DC 19 H5 C 19 -15.332 -9.145 -3.355 933 H6 DC 19 H6 C 19 -15.572 -6.895 -2.442 934 H5' DT 20 H5' T 20 -15.680 -4.003 3.387 935 H5'' DT 20 H5'' T 20 -14.993 -2.482 3.988 936 H4' DT 20 H4' T 20 -14.696 -4.143 5.661 937 H3' DT 20 H3' T 20 -12.591 -2.670 5.028 938 H2' DT 20 H2' T 20 -11.719 -3.995 3.219 939 H2'' DT 20 H2'' T 20 -10.778 -4.610 4.571 940 H1' DT 20 H1' T 20 -12.129 -6.546 4.811 941 H3 DT 20 H3 T 20 -12.294 -9.427 1.441 942 H71 DT 20 H71 T 20 -12.632 -4.549 -0.754 943 H72 DT 20 H72 T 20 -12.504 -6.041 -1.716 944 H73 DT 20 H73 T 20 -11.037 -5.274 -1.063 945 H6 DT 20 H6 T 20 -12.369 -4.662 1.666 946 H5' DG 21 H5' G 21 -11.440 -6.589 7.854 947 H5'' DG 21 H5'' G 21 -10.924 -5.522 9.176 948 H4' DG 21 H4' G 21 -9.697 -7.470 9.509 949 H3' DG 21 H3' G 21 -8.235 -5.291 9.179 950 H2' DG 21 H2' G 21 -7.964 -5.333 6.802 951 H2'' DG 21 H2'' G 21 -6.505 -6.178 7.299 952 H1' DG 21 H1' G 21 -7.404 -8.315 6.834 953 H8 DG 21 H8 G 21 -8.802 -5.278 5.059 954 H1 DG 21 H1 G 21 -8.925 -10.689 1.614 955 H21 DG 21 H21 G 21 -8.194 -12.250 4.612 956 H22 DG 21 H22 G 21 -8.526 -12.432 2.907 957 H5' DC 22 H5' C 22 -6.150 -9.252 9.131 958 H5'' DC 22 H5'' C 22 -5.111 -9.222 10.566 959 H4' DC 22 H4' C 22 -4.220 -10.916 9.257 960 H3' DC 22 H3' C 22 -2.509 -8.967 9.814 961 H2' DC 22 H2' C 22 -2.883 -7.533 7.946 962 H2'' DC 22 H2'' C 22 -1.543 -8.496 7.334 963 H1' DC 22 H1' C 22 -2.926 -9.884 6.035 964 H41 DC 22 H41 C 22 -5.717 -4.560 3.250 965 H42 DC 22 H42 C 22 -5.722 -5.896 2.130 966 H5 DC 22 H5 C 22 -5.169 -5.006 5.694 967 H6 DC 22 H6 C 22 -4.224 -6.665 7.221 968 H5' DC 23 H5' C 23 -1.290 -12.138 6.539 969 H5'' DC 23 H5'' C 23 -0.357 -12.891 7.845 970 H4' DC 23 H4' C 23 0.443 -13.953 5.969 971 H3' DC 23 H3' C 23 2.329 -12.614 7.262 972 H2' DC 23 H2' C 23 2.155 -10.498 6.155 973 H2'' DC 23 H2'' C 23 3.417 -11.254 5.198 974 H1' DC 23 H1' C 23 1.943 -11.848 3.447 975 H41 DC 23 H41 C 23 -0.402 -5.704 3.164 976 H42 DC 23 H42 C 23 -0.357 -6.330 1.546 977 H5 DC 23 H5 C 23 0.061 -7.112 5.122 978 H6 DC 23 H6 C 23 0.660 -9.339 5.872 979 H5' DC 24 H5' C 24 3.531 -14.446 2.985 980 H5'' DC 24 H5'' C 24 4.662 -15.588 3.740 981 H4' DC 24 H4' C 24 5.331 -15.494 1.516 982 H3' DC 24 H3' C 24 7.226 -14.850 3.253 983 H2' DC 24 H2' C 24 6.866 -12.499 3.407 984 H2'' DC 24 H2'' C 24 8.094 -12.546 2.147 985 H1' DC 24 H1' C 24 6.526 -12.255 0.400 986 H41 DC 24 H41 C 24 3.925 -7.122 3.574 987 H42 DC 24 H42 C 24 3.715 -6.824 1.856 988 H5 DC 24 H5 C 24 4.740 -9.234 4.445 989 H6 DC 24 H6 C 24 5.572 -11.440 3.849 990 H5' DA 25 H5' A 25 7.850 -14.206 -1.171 991 H5'' DA 25 H5'' A 25 9.085 -15.441 -1.474 992 H4' DA 25 H4' A 25 9.116 -14.126 -3.379 993 H3' DA 25 H3' A 25 11.458 -14.271 -2.157 994 H2' DA 25 H2' A 25 11.250 -12.399 -0.670 995 H2'' DA 25 H2'' A 25 12.082 -11.657 -2.027 996 H1' DA 25 H1' A 25 10.102 -10.682 -2.892 997 H8 DA 25 H8 A 25 9.729 -11.752 0.815 998 H61 DA 25 H61 A 25 7.988 -7.479 2.398 999 H62 DA 25 H62 A 25 7.524 -5.998 1.581 1000 H2 DA 25 H2 A 25 8.181 -6.686 -2.797 1001 H5' DC 26 H5' C 26 10.738 -11.277 -5.492 1002 H5'' DC 26 H5'' C 26 11.805 -11.959 -6.733 1003 H4' DC 26 H4' C 26 11.346 -9.834 -7.517 1004 H3' DC 26 H3' C 26 13.928 -10.297 -7.142 1005 H2' DC 26 H2' C 26 14.136 -9.577 -4.867 1006 H2'' DC 26 H2'' C 26 14.587 -8.104 -5.713 1007 H1' DC 26 H1' C 26 12.451 -7.112 -5.432 1008 H41 DC 26 H41 C 26 12.228 -8.546 1.019 1009 H42 DC 26 H42 C 26 11.587 -6.933 0.808 1010 H5 DC 26 H5 C 26 12.890 -9.955 -0.852 1011 H6 DC 26 H6 C 26 13.074 -10.081 -3.285 1012 H5' DA 27 H5' A 27 12.662 -5.849 -8.352 1013 H5'' DA 27 H5'' A 27 13.574 -5.775 -9.872 1014 H4' DA 27 H4' A 27 13.229 -3.554 -9.277 1015 H3' DA 27 H3' A 27 15.777 -4.191 -9.606 1016 H2' DA 27 H2' A 27 16.308 -4.885 -7.376 1017 H2'' DA 27 H2'' A 27 16.795 -3.196 -7.315 1018 H1' DA 27 H1' A 27 14.832 -2.517 -6.186 1019 H8 DA 27 H8 A 27 15.538 -6.304 -6.027 1020 H61 DA 27 H61 A 27 14.795 -6.865 -1.266 1021 H62 DA 27 H62 A 27 14.228 -5.804 0.004 1022 H2 DA 27 H2 A 27 13.409 -1.831 -1.942 1023 H5' DC 28 H5' C 28 14.710 -0.125 -7.825 1024 H5'' DC 28 H5'' C 28 15.385 1.044 -8.977 1025 H4' DC 28 H4' C 28 15.108 2.251 -7.006 1026 H3' DC 28 H3' C 28 17.578 2.247 -7.967 1027 H2' DC 28 H2' C 28 18.429 0.306 -6.861 1028 H2'' DC 28 H2'' C 28 18.945 1.563 -5.752 1029 H1' DC 28 H1' C 28 17.157 1.152 -4.237 1030 H41 DC 28 H41 C 28 18.228 -5.368 -4.295 1031 H42 DC 28 H42 C 28 17.727 -4.950 -2.676 1032 H5 DC 28 H5 C 28 18.278 -3.774 -6.124 1033 H6 DC 28 H6 C 28 17.882 -1.446 -6.750 1034 H5' DA 29 H5' A 29 16.841 4.173 -3.791 1035 H5'' DA 29 H5'' A 29 17.404 5.834 -4.052 1036 H4' DA 29 H4' A 29 17.476 5.549 -1.747 1037 H3' DA 29 H3' A 29 19.791 6.251 -2.822 1038 H2' DA 29 H2' A 29 20.685 4.078 -3.294 1039 H2'' DA 29 H2'' A 29 21.403 4.394 -1.726 1040 H1' DA 29 H1' A 29 19.819 3.047 -0.575 1041 H8 DA 29 H8 A 29 19.886 2.321 -4.377 1042 H61 DA 29 H61 A 29 20.335 -2.503 -4.020 1043 H62 DA 29 H62 A 29 20.327 -3.627 -2.683 1044 H2 DA 29 H2 A 29 19.776 -1.132 1.028 1045 H5' DA 30 H5' A 30 19.681 4.933 1.587 1046 H5'' DA 30 H5'' A 30 20.168 6.435 2.399 1047 H4' DA 30 H4' A 30 20.541 4.791 3.988 1048 H3' DA 30 H3' A 30 22.705 6.189 3.376 1049 H2' DA 30 H2' A 30 23.549 4.857 1.571 1050 H2'' DA 30 H2'' A 30 24.442 4.176 2.923 1051 H1' DA 30 H1' A 30 23.013 2.295 3.111 1052 H8 DA 30 H8 A 30 22.487 4.074 -0.297 1053 H61 DA 30 H61 A 30 23.019 0.129 -3.070 1054 H62 DA 30 H62 A 30 23.287 -1.563 -2.728 1055 H2 DA 30 H2 A 30 23.442 -1.926 1.761 1056 H5' DG 31 H5' G 31 23.205 2.399 5.862 1057 H5'' DG 31 H5'' G 31 23.701 3.069 7.429 1058 H4' DG 31 H4' G 31 24.347 0.848 7.543 1059 H3' DG 31 H3' G 31 26.352 2.548 7.871 1060 H2' DG 31 H2' G 31 27.036 2.801 5.585 1061 H2'' DG 31 H2'' G 31 28.118 1.520 6.116 1062 H1' DG 31 H1' G 31 26.819 -0.193 5.114 1063 H8 DG 31 H8 G 31 26.034 3.330 3.748 1064 H1 DG 31 H1 G 31 26.631 -1.344 -0.613 1065 H21 DG 31 H21 G 31 26.963 -3.422 2.145 1066 H22 DG 31 H22 G 31 26.929 -3.300 0.405 1067 H5' DC 32 H5' C 32 27.561 -1.883 7.205 1068 H5'' DC 32 H5'' C 32 28.207 -2.264 8.813 1069 H4' DC 32 H4' C 32 29.183 -3.853 7.439 1070 H3' DC 32 H3' C 32 30.935 -2.337 8.718 1071 HO3' DC 32 H3T C 32 32.495 -3.726 7.956 1072 H2' DC 32 H2' C 32 31.167 -0.569 7.118 1073 H2'' DC 32 H2'' C 32 32.509 -1.604 6.651 1074 H1' DC 32 H1' C 32 31.323 -2.560 4.828 1075 H41 DC 32 H41 C 32 29.223 3.298 2.594 1076 H42 DC 32 H42 C 32 29.345 2.240 1.213 1077 H5 DC 32 H5 C 32 29.662 2.556 4.870 1078 H6 DC 32 H6 C 32 30.177 0.613 6.262 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 -4.357 -3.373 -1.947 2 H2 MET 1 HT2 MET 1 -4.969 -2.364 -3.167 3 H3 MET 1 HT3 MET 1 -3.292 -2.542 -2.970 4 HA MET 1 HA MET 1 -3.196 -4.502 -3.999 5 HB2 MET 1 HB2 MET 1 -5.927 -4.931 -2.827 6 HB3 MET 1 HB1 MET 1 -5.348 -5.967 -4.122 7 HG2 MET 1 HG2 MET 1 -5.015 -6.885 -1.851 8 HG3 MET 1 HG1 MET 1 -3.536 -6.747 -2.795 9 HE1 MET 1 HE1 MET 1 -3.794 -6.605 0.974 10 HE2 MET 1 HE2 MET 1 -2.101 -6.300 0.590 11 HE3 MET 1 HE3 MET 1 -3.021 -7.473 -0.352 12 H VAL 2 HN VAL 2 -4.323 -5.486 -6.046 13 HA VAL 2 HA VAL 2 -4.918 -3.260 -7.743 14 HB VAL 2 HB VAL 2 -3.664 -5.502 -8.275 15 HG11 VAL 2 HG11 VAL 2 -5.564 -6.973 -7.781 16 HG12 VAL 2 HG12 VAL 2 -4.998 -7.148 -9.442 17 HG13 VAL 2 HG13 VAL 2 -6.466 -6.232 -9.103 18 HG21 VAL 2 HG21 VAL 2 -3.957 -3.590 -9.800 19 HG22 VAL 2 HG22 VAL 2 -5.505 -4.260 -10.309 20 HG23 VAL 2 HG23 VAL 2 -4.015 -5.141 -10.634 21 H GLN 3 HN GLN 3 -6.828 -4.352 -5.544 22 HA GLN 3 HA GLN 3 -9.216 -4.776 -7.148 23 HB2 GLN 3 HB2 GLN 3 -8.656 -4.983 -4.192 24 HB3 GLN 3 HB1 GLN 3 -10.292 -5.046 -4.839 25 HG2 GLN 3 HG2 GLN 3 -9.683 -6.989 -6.191 26 HG3 GLN 3 HG1 GLN 3 -8.040 -6.914 -5.559 27 HE21 GLN 3 HE21 GLN 3 -10.833 -6.279 -3.568 28 HE22 GLN 3 HE22 GLN 3 -10.719 -7.712 -2.612 29 H SER 4 HN SER 4 -8.083 -2.556 -4.587 30 HA SER 4 HA SER 4 -9.152 -0.250 -5.786 31 HB2 SER 4 HB2 SER 4 -11.124 0.171 -4.430 32 HB3 SER 4 HB1 SER 4 -11.264 -1.430 -5.099 33 HG SER 4 HG SER 4 -10.149 -1.014 -2.545 34 H CYS 5 HN CYS 5 -8.538 1.651 -4.617 35 HA CYS 5 HA CYS 5 -6.456 1.311 -2.713 36 HB2 CYS 5 HB2 CYS 5 -7.376 4.002 -2.683 37 HB3 CYS 5 HB1 CYS 5 -5.955 3.351 -3.489 38 H SER 6 HN SER 6 -6.637 3.064 -0.751 39 HA SER 6 HA SER 6 -8.582 1.904 1.016 40 HB2 SER 6 HB2 SER 6 -6.120 2.608 1.515 41 HB3 SER 6 HB1 SER 6 -6.816 4.205 1.778 42 HG SER 6 HG SER 6 -7.599 1.814 3.105 43 H ALA 7 HN ALA 7 -8.790 4.447 -1.125 44 HA ALA 7 HA ALA 7 -10.282 6.270 0.539 45 HB1 ALA 7 HB1 ALA 7 -10.701 7.490 -1.561 46 HB2 ALA 7 HB2 ALA 7 -9.931 6.181 -2.458 47 HB3 ALA 7 HB3 ALA 7 -8.988 7.143 -1.323 48 H TYR 8 HN TYR 8 -12.528 6.944 -0.287 49 HA TYR 8 HA TYR 8 -14.099 4.493 -0.607 50 HB2 TYR 8 HB2 TYR 8 -15.976 5.868 0.338 51 HB3 TYR 8 HB1 TYR 8 -14.637 5.590 1.443 52 HD1 TYR 8 HD2 TYR 8 -13.177 7.440 2.109 53 HD2 TYR 8 HD1 TYR 8 -16.481 8.067 -0.489 54 HE1 TYR 8 HE2 TYR 8 -13.026 9.859 2.506 55 HE2 TYR 8 HE1 TYR 8 -16.342 10.476 -0.102 56 HH TYR 8 HH TYR 8 -15.480 12.065 1.341 57 H GLY 9 HN GLY 9 -14.495 4.235 -2.692 58 HA2 GLY 9 HA2 GLY 9 -16.155 4.771 -4.402 59 HA3 GLY 9 HA1 GLY 9 -15.761 6.461 -4.139 60 H CYS 10 HN CYS 10 -12.867 5.724 -4.000 61 HA CYS 10 HA CYS 10 -12.242 6.211 -6.699 62 HB2 CYS 10 HB2 CYS 10 -10.870 7.046 -4.830 63 HB3 CYS 10 HB1 CYS 10 -10.375 5.393 -4.474 64 H LYS 11 HN LYS 11 -13.381 4.255 -7.581 65 HA LYS 11 HA LYS 11 -11.901 1.773 -7.334 66 HB2 LYS 11 HB2 LYS 11 -14.487 2.580 -8.448 67 HB3 LYS 11 HB1 LYS 11 -13.630 1.432 -9.467 68 HG2 LYS 11 HG2 LYS 11 -13.313 0.070 -7.306 69 HG3 LYS 11 HG1 LYS 11 -14.591 1.092 -6.651 70 HD2 LYS 11 HD2 LYS 11 -16.119 0.352 -8.364 71 HD3 LYS 11 HD1 LYS 11 -14.839 -0.552 -9.173 72 HE2 LYS 11 HE2 LYS 11 -14.604 -1.940 -7.121 73 HE3 LYS 11 HE1 LYS 11 -15.989 -1.097 -6.437 74 HZ1 LYS 11 HZ1 LYS 11 -16.690 -3.168 -7.388 75 HZ2 LYS 11 HZ2 LYS 11 -15.981 -2.786 -8.876 76 HZ3 LYS 11 HZ3 LYS 11 -17.313 -1.905 -8.328 77 H ASN 12 HN ASN 12 -10.389 3.891 -8.140 78 HA ASN 12 HA ASN 12 -9.992 3.974 -10.987 79 HB2 ASN 12 HB2 ASN 12 -8.477 5.056 -8.643 80 HB3 ASN 12 HB1 ASN 12 -7.951 5.312 -10.295 81 HD21 ASN 12 HD21 ASN 12 -8.257 7.583 -9.258 82 HD22 ASN 12 HD22 ASN 12 -9.791 8.325 -9.579 83 H ARG 13 HN ARG 13 -9.920 1.481 -10.221 84 HA ARG 13 HA ARG 13 -7.803 0.022 -9.499 85 HB2 ARG 13 HB2 ARG 13 -10.102 -0.458 -10.842 86 HB3 ARG 13 HB1 ARG 13 -8.942 -0.773 -12.114 87 HG2 ARG 13 HG2 ARG 13 -8.923 -2.102 -9.416 88 HG3 ARG 13 HG1 ARG 13 -9.649 -2.779 -10.874 89 HD2 ARG 13 HD2 ARG 13 -6.855 -1.871 -11.121 90 HD3 ARG 13 HD1 ARG 13 -7.128 -3.287 -10.105 91 HE ARG 13 HE ARG 13 -7.323 -3.130 -12.962 92 HH11 ARG 13 HH11 ARG 13 -8.349 -4.880 -10.117 93 HH12 ARG 13 HH12 ARG 13 -8.924 -6.255 -11.009 94 HH21 ARG 13 HH21 ARG 13 -8.055 -4.946 -14.147 95 HH22 ARG 13 HH22 ARG 13 -8.764 -6.290 -13.306 96 H TYR 14 HN TYR 14 -5.768 -0.415 -10.171 97 HA TYR 14 HA TYR 14 -4.075 1.096 -11.487 98 HB2 TYR 14 HB2 TYR 14 -4.047 -1.564 -10.660 99 HB3 TYR 14 HB1 TYR 14 -3.577 -1.633 -12.354 100 HD1 TYR 14 HD2 TYR 14 -1.868 0.594 -12.846 101 HD2 TYR 14 HD1 TYR 14 -2.238 -1.697 -9.271 102 HE1 TYR 14 HE2 TYR 14 0.414 1.241 -12.191 103 HE2 TYR 14 HE1 TYR 14 0.041 -1.057 -8.620 104 HH TYR 14 HH TYR 14 2.068 -0.235 -9.527 105 H ASP 15 HN ASP 15 -4.392 2.176 -13.289 106 HA ASP 15 HA ASP 15 -4.871 0.658 -15.755 107 HB2 ASP 15 HB2 ASP 15 -6.853 2.109 -14.947 108 HB3 ASP 15 HB1 ASP 15 -5.835 3.492 -15.337 109 H LYS 16 HN LYS 16 -2.894 0.577 -16.435 110 HA LYS 16 HA LYS 16 -0.797 2.288 -16.016 111 HB2 LYS 16 HB2 LYS 16 0.353 0.926 -17.441 112 HB3 LYS 16 HB1 LYS 16 -1.046 -0.083 -17.104 113 HG2 LYS 16 HG2 LYS 16 -1.477 1.673 -19.371 114 HG3 LYS 16 HG1 LYS 16 -0.108 0.594 -19.597 115 HD2 LYS 16 HD2 LYS 16 -2.862 -0.297 -18.753 116 HD3 LYS 16 HD1 LYS 16 -2.270 -0.333 -20.412 117 HE2 LYS 16 HE2 LYS 16 -1.118 -1.839 -18.070 118 HE3 LYS 16 HE1 LYS 16 -2.070 -2.524 -19.380 119 HZ1 LYS 16 HZ1 LYS 16 0.369 -2.841 -19.601 120 HZ2 LYS 16 HZ2 LYS 16 0.540 -1.171 -19.786 121 HZ3 LYS 16 HZ3 LYS 16 -0.338 -2.059 -20.920 122 H ASP 17 HN ASP 17 -3.377 2.619 -18.311 123 HA ASP 17 HA ASP 17 -2.124 4.509 -20.035 124 HB2 ASP 17 HB2 ASP 17 -5.045 3.920 -19.517 125 HB3 ASP 17 HB1 ASP 17 -4.462 4.985 -20.790 126 H LYS 18 HN LYS 18 -3.705 4.672 -16.981 127 HA LYS 18 HA LYS 18 -3.880 7.591 -17.117 128 HB2 LYS 18 HB2 LYS 18 -5.675 7.459 -15.769 129 HB3 LYS 18 HB1 LYS 18 -5.684 5.761 -16.203 130 HG2 LYS 18 HG2 LYS 18 -4.307 5.329 -14.158 131 HG3 LYS 18 HG1 LYS 18 -4.618 7.009 -13.696 132 HD2 LYS 18 HD2 LYS 18 -7.085 6.471 -14.042 133 HD3 LYS 18 HD1 LYS 18 -6.598 4.777 -14.064 134 HE2 LYS 18 HE2 LYS 18 -7.036 4.965 -11.858 135 HE3 LYS 18 HE1 LYS 18 -5.369 5.522 -11.833 136 HZ1 LYS 18 HZ1 LYS 18 -7.804 7.210 -11.826 137 HZ2 LYS 18 HZ2 LYS 18 -6.245 7.821 -12.010 138 HZ3 LYS 18 HZ3 LYS 18 -6.680 7.039 -10.570 139 HA PRO 19 HA PRO 19 -0.215 7.928 -14.745 140 HB2 PRO 19 HB2 PRO 19 -0.396 10.455 -13.861 141 HB3 PRO 19 HB1 PRO 19 -0.204 10.071 -15.582 142 HG2 PRO 19 HG2 PRO 19 -2.671 10.825 -14.092 143 HG3 PRO 19 HG1 PRO 19 -2.116 11.347 -15.695 144 HD2 PRO 19 HD2 PRO 19 -3.988 9.385 -15.291 145 HD3 PRO 19 HD1 PRO 19 -2.959 9.500 -16.729 146 H VAL 20 HN VAL 20 -1.055 6.305 -13.097 147 HA VAL 20 HA VAL 20 -0.773 7.575 -10.508 148 HB VAL 20 HB VAL 20 -2.570 6.621 -9.364 149 HG11 VAL 20 HG11 VAL 20 -3.298 8.561 -10.535 150 HG12 VAL 20 HG12 VAL 20 -4.612 7.383 -10.504 151 HG13 VAL 20 HG13 VAL 20 -3.660 7.611 -11.975 152 HG21 VAL 20 HG21 VAL 20 -4.208 5.067 -10.338 153 HG22 VAL 20 HG22 VAL 20 -2.572 4.404 -10.236 154 HG23 VAL 20 HG23 VAL 20 -3.203 4.965 -11.788 155 H SER 21 HN SER 21 0.164 6.300 -8.982 156 HA SER 21 HA SER 21 1.017 3.617 -9.844 157 HB2 SER 21 HB2 SER 21 3.080 4.081 -8.429 158 HB3 SER 21 HB1 SER 21 2.958 5.028 -9.912 159 HG SER 21 HG SER 21 3.091 6.714 -8.679 160 H PHE 22 HN PHE 22 1.490 2.143 -7.950 161 HA PHE 22 HA PHE 22 -0.342 2.820 -5.763 162 HB2 PHE 22 HB2 PHE 22 0.326 0.236 -7.100 163 HB3 PHE 22 HB1 PHE 22 -0.135 0.201 -5.405 164 HD1 PHE 22 HD1 PHE 22 -1.510 2.530 -7.954 165 HD2 PHE 22 HD2 PHE 22 -2.195 -0.958 -5.602 166 HE1 PHE 22 HE1 PHE 22 -3.896 2.559 -8.598 167 HE2 PHE 22 HE2 PHE 22 -4.579 -0.927 -6.250 168 HZ PHE 22 HZ PHE 22 -5.419 0.829 -7.747 169 H HIS 23 HN HIS 23 0.170 2.182 -3.680 170 HA HIS 23 HA HIS 23 2.951 1.569 -2.939 171 HB2 HIS 23 HB2 HIS 23 1.907 3.718 -1.290 172 HB3 HIS 23 HB1 HIS 23 3.483 3.574 -2.048 173 HD1 HIS 23 HD1 HIS 23 0.031 4.782 -2.661 174 HD2 HIS 23 HD2 HIS 23 3.795 5.098 -4.365 175 HE1 HIS 23 HE1 HIS 23 -0.245 6.425 -4.500 176 HE2 HIS 23 HE2 HIS 23 2.001 6.422 -5.687 177 H LYS 24 HN LYS 24 2.966 1.675 -0.344 178 HA LYS 24 HA LYS 24 0.446 0.401 0.487 179 HB2 LYS 24 HB2 LYS 24 3.208 -0.455 0.760 180 HB3 LYS 24 HB1 LYS 24 2.425 -0.331 2.332 181 HG2 LYS 24 HG2 LYS 24 0.518 -1.604 0.844 182 HG3 LYS 24 HG1 LYS 24 2.018 -2.254 0.177 183 HD2 LYS 24 HD2 LYS 24 2.289 -2.185 2.997 184 HD3 LYS 24 HD1 LYS 24 0.727 -2.920 2.621 185 HE2 LYS 24 HE2 LYS 24 2.425 -4.631 2.724 186 HE3 LYS 24 HE1 LYS 24 1.859 -4.452 1.064 187 HZ1 LYS 24 HZ1 LYS 24 4.352 -4.634 1.445 188 HZ2 LYS 24 HZ2 LYS 24 4.272 -3.050 2.030 189 HZ3 LYS 24 HZ3 LYS 24 3.815 -3.386 0.437 190 H PHE 25 HN PHE 25 0.096 0.681 2.973 191 HA PHE 25 HA PHE 25 0.022 3.410 3.652 192 HB2 PHE 25 HB2 PHE 25 -0.563 0.876 5.014 193 HB3 PHE 25 HB1 PHE 25 -0.004 2.140 6.093 194 HD1 PHE 25 HD1 PHE 25 -2.475 1.648 3.360 195 HD2 PHE 25 HD2 PHE 25 -1.549 3.571 7.023 196 HE1 PHE 25 HE1 PHE 25 -4.752 2.581 3.436 197 HE2 PHE 25 HE2 PHE 25 -3.817 4.502 7.117 198 HZ PHE 25 HZ PHE 25 -5.427 4.009 5.323 199 HA PRO 26 HA PRO 26 4.005 4.283 5.474 200 HB2 PRO 26 HB2 PRO 26 3.282 5.994 7.458 201 HB3 PRO 26 HB1 PRO 26 3.202 6.463 5.747 202 HG2 PRO 26 HG2 PRO 26 1.014 5.445 7.510 203 HG3 PRO 26 HG1 PRO 26 1.010 6.865 6.444 204 HD2 PRO 26 HD2 PRO 26 -0.094 4.586 5.645 205 HD3 PRO 26 HD1 PRO 26 0.850 5.578 4.513 206 H LEU 27 HN LEU 27 3.842 1.926 6.205 207 HA LEU 27 HA LEU 27 2.859 1.253 8.771 208 HB2 LEU 27 HB2 LEU 27 4.653 -0.048 6.769 209 HB3 LEU 27 HB1 LEU 27 4.462 -0.758 8.362 210 HG LEU 27 HG LEU 27 2.270 -0.255 6.339 211 HD11 LEU 27 HD11 LEU 27 2.118 -2.642 6.178 212 HD12 LEU 27 HD12 LEU 27 3.310 -2.858 7.459 213 HD13 LEU 27 HD13 LEU 27 3.799 -2.185 5.904 214 HD21 LEU 27 HD21 LEU 27 2.224 -1.048 9.218 215 HD22 LEU 27 HD22 LEU 27 0.997 -1.668 8.112 216 HD23 LEU 27 HD23 LEU 27 1.178 0.073 8.342 217 H THR 28 HN THR 28 5.746 2.650 7.644 218 HA THR 28 HA THR 28 7.204 2.077 10.081 219 HB THR 28 HB THR 28 9.076 3.181 8.927 220 HG1 THR 28 HG1 THR 28 8.198 3.545 6.492 221 HG21 THR 28 HG21 THR 28 8.776 0.850 8.444 222 HG22 THR 28 HG22 THR 28 9.131 1.654 6.914 223 HG23 THR 28 HG23 THR 28 7.464 1.200 7.310 224 H ARG 29 HN ARG 29 4.820 4.111 9.412 225 HA ARG 29 HA ARG 29 5.737 6.055 11.366 226 HB2 ARG 29 HB2 ARG 29 6.236 6.917 9.020 227 HB3 ARG 29 HB1 ARG 29 4.499 6.938 8.755 228 HG2 ARG 29 HG2 ARG 29 4.165 8.645 10.289 229 HG3 ARG 29 HG1 ARG 29 5.722 8.395 11.053 230 HD2 ARG 29 HD2 ARG 29 5.953 9.009 8.223 231 HD3 ARG 29 HD1 ARG 29 5.147 10.278 9.137 232 HE ARG 29 HE ARG 29 7.083 10.426 10.550 233 HH11 ARG 29 HH11 ARG 29 7.528 8.612 7.575 234 HH12 ARG 29 HH12 ARG 29 9.254 8.754 7.606 235 HH21 ARG 29 HH21 ARG 29 9.357 10.607 10.566 236 HH22 ARG 29 HH22 ARG 29 10.289 9.892 9.289 237 HA PRO 30 HA PRO 30 1.504 3.939 11.736 238 HB2 PRO 30 HB2 PRO 30 1.789 4.297 14.522 239 HB3 PRO 30 HB1 PRO 30 1.911 2.777 13.624 240 HG2 PRO 30 HG2 PRO 30 4.050 4.553 14.616 241 HG3 PRO 30 HG1 PRO 30 4.072 2.805 14.319 242 HD2 PRO 30 HD2 PRO 30 5.335 4.504 12.691 243 HD3 PRO 30 HD1 PRO 30 4.516 3.059 12.066 244 H SER 31 HN SER 31 2.663 6.589 13.909 245 HA SER 31 HA SER 31 0.189 7.667 14.516 246 HB2 SER 31 HB2 SER 31 2.520 9.489 13.953 247 HB3 SER 31 HB1 SER 31 1.320 9.582 15.245 248 HG SER 31 HG SER 31 3.491 8.792 15.839 249 H LEU 32 HN LEU 32 2.254 8.410 11.738 250 HA LEU 32 HA LEU 32 0.461 10.245 10.536 251 HB2 LEU 32 HB2 LEU 32 2.908 10.081 10.083 252 HB3 LEU 32 HB1 LEU 32 2.632 8.547 9.287 253 HG LEU 32 HG LEU 32 2.924 10.834 7.971 254 HD11 LEU 32 HD11 LEU 32 2.755 8.586 7.030 255 HD12 LEU 32 HD12 LEU 32 1.864 9.784 6.087 256 HD13 LEU 32 HD13 LEU 32 0.997 8.684 7.161 257 HD21 LEU 32 HD21 LEU 32 1.051 11.936 8.953 258 HD22 LEU 32 HD22 LEU 32 -0.020 10.616 8.479 259 HD23 LEU 32 HD23 LEU 32 0.728 11.637 7.245 260 H CYS 33 HN CYS 33 0.891 6.774 10.471 261 HA CYS 33 HA CYS 33 -0.653 6.120 8.182 262 HB2 CYS 33 HB2 CYS 33 0.815 4.525 9.396 263 HB3 CYS 33 HB1 CYS 33 -0.252 4.654 10.803 264 HG CYS 33 HG CYS 33 -2.384 3.755 8.757 265 H LYS 34 HN LYS 34 -1.280 6.815 11.476 266 HA LYS 34 HA LYS 34 -3.919 5.868 11.626 267 HB2 LYS 34 HB2 LYS 34 -2.932 5.940 13.651 268 HB3 LYS 34 HB1 LYS 34 -2.007 7.377 13.271 269 HG2 LYS 34 HG2 LYS 34 -4.645 8.262 13.352 270 HG3 LYS 34 HG1 LYS 34 -4.474 7.153 14.721 271 HD2 LYS 34 HD2 LYS 34 -2.237 8.394 15.143 272 HD3 LYS 34 HD1 LYS 34 -2.922 9.642 14.099 273 HE2 LYS 34 HE2 LYS 34 -4.864 9.812 15.572 274 HE3 LYS 34 HE1 LYS 34 -4.171 8.582 16.624 275 HZ1 LYS 34 HZ1 LYS 34 -2.461 10.007 17.280 276 HZ2 LYS 34 HZ2 LYS 34 -3.837 10.993 17.281 277 HZ3 LYS 34 HZ3 LYS 34 -2.729 11.090 16.006 278 H GLU 35 HN GLU 35 -2.571 9.055 10.662 279 HA GLU 35 HA GLU 35 -5.186 10.233 11.011 280 HB2 GLU 35 HB2 GLU 35 -4.192 11.995 9.330 281 HB3 GLU 35 HB1 GLU 35 -3.831 12.021 11.038 282 HG2 GLU 35 HG2 GLU 35 -1.766 10.630 10.418 283 HG3 GLU 35 HG1 GLU 35 -2.088 11.183 8.774 284 H TRP 36 HN TRP 36 -3.618 8.341 8.605 285 HA TRP 36 HA TRP 36 -5.151 9.174 6.388 286 HB2 TRP 36 HB2 TRP 36 -3.923 6.484 7.030 287 HB3 TRP 36 HB1 TRP 36 -4.682 6.870 5.489 288 HD1 TRP 36 HD1 TRP 36 -2.441 9.397 7.289 289 HE1 TRP 36 HE1 TRP 36 -0.349 9.816 5.859 290 HE3 TRP 36 HE3 TRP 36 -3.171 5.792 3.706 291 HZ2 TRP 36 HZ2 TRP 36 0.849 8.747 3.536 292 HZ3 TRP 36 HZ3 TRP 36 -1.507 5.585 1.906 293 HH2 TRP 36 HH2 TRP 36 0.466 7.025 1.832 294 H GLU 37 HN GLU 37 -5.728 7.103 9.125 295 HA GLU 37 HA GLU 37 -8.108 5.874 8.212 296 HB2 GLU 37 HB2 GLU 37 -7.543 6.589 11.094 297 HB3 GLU 37 HB1 GLU 37 -8.471 5.228 10.475 298 HG2 GLU 37 HG2 GLU 37 -5.534 5.469 9.942 299 HG3 GLU 37 HG1 GLU 37 -6.143 4.830 11.462 300 H ALA 38 HN ALA 38 -7.333 8.913 9.752 301 HA ALA 38 HA ALA 38 -9.919 9.767 10.415 302 HB1 ALA 38 HB1 ALA 38 -7.382 11.296 9.926 303 HB2 ALA 38 HB2 ALA 38 -8.082 10.826 11.475 304 HB3 ALA 38 HB3 ALA 38 -8.880 12.044 10.482 305 H ALA 39 HN ALA 39 -8.130 9.717 7.456 306 HA ALA 39 HA ALA 39 -9.869 11.635 6.152 307 HB1 ALA 39 HB1 ALA 39 -7.509 11.551 5.545 308 HB2 ALA 39 HB2 ALA 39 -8.523 11.156 4.157 309 HB3 ALA 39 HB3 ALA 39 -7.690 9.872 5.035 310 H VAL 40 HN VAL 40 -9.605 8.208 6.629 311 HA VAL 40 HA VAL 40 -11.533 7.611 4.510 312 HB VAL 40 HB VAL 40 -10.653 5.582 6.497 313 HG11 VAL 40 HG11 VAL 40 -10.897 4.069 4.643 314 HG12 VAL 40 HG12 VAL 40 -11.098 5.417 3.525 315 HG13 VAL 40 HG13 VAL 40 -12.331 5.090 4.742 316 HG21 VAL 40 HG21 VAL 40 -8.580 6.774 5.808 317 HG22 VAL 40 HG22 VAL 40 -8.959 6.374 4.131 318 HG23 VAL 40 HG23 VAL 40 -8.625 5.087 5.289 319 H ARG 41 HN ARG 41 -12.594 9.298 6.191 320 HA ARG 41 HA ARG 41 -13.909 8.259 8.472 321 HB2 ARG 41 HB2 ARG 41 -15.366 10.373 8.147 322 HB3 ARG 41 HB1 ARG 41 -13.669 10.559 8.550 323 HG2 ARG 41 HG2 ARG 41 -14.121 12.163 6.887 324 HG3 ARG 41 HG1 ARG 41 -13.243 10.870 6.073 325 HD2 ARG 41 HD2 ARG 41 -15.155 11.709 4.762 326 HD3 ARG 41 HD1 ARG 41 -15.288 9.996 5.149 327 HE ARG 41 HE ARG 41 -17.064 10.469 6.592 328 HH11 ARG 41 HH11 ARG 41 -15.786 13.400 5.162 329 HH12 ARG 41 HH12 ARG 41 -17.184 14.350 5.547 330 HH21 ARG 41 HH21 ARG 41 -18.894 11.721 7.107 331 HH22 ARG 41 HH22 ARG 41 -18.944 13.399 6.662 332 H ARG 42 HN ARG 42 -14.383 7.049 5.663 333 HA ARG 42 HA ARG 42 -17.274 7.270 5.409 334 HB2 ARG 42 HB2 ARG 42 -15.739 7.159 3.424 335 HB3 ARG 42 HB1 ARG 42 -15.336 5.526 3.887 336 HG2 ARG 42 HG2 ARG 42 -16.946 5.344 2.187 337 HG3 ARG 42 HG1 ARG 42 -17.776 4.969 3.705 338 HD2 ARG 42 HD2 ARG 42 -18.573 7.326 3.762 339 HD3 ARG 42 HD1 ARG 42 -17.864 7.571 2.169 340 HE ARG 42 HE ARG 42 -19.407 5.695 1.455 341 HH11 ARG 42 HH11 ARG 42 -20.165 7.894 4.080 342 HH12 ARG 42 HH12 ARG 42 -21.882 7.698 3.920 343 HH21 ARG 42 HH21 ARG 42 -21.674 5.446 1.239 344 HH22 ARG 42 HH22 ARG 42 -22.740 6.274 2.330 345 H LYS 43 HN LYS 43 -18.684 5.488 5.551 346 HA LYS 43 HA LYS 43 -17.961 3.505 7.460 347 HB2 LYS 43 HB2 LYS 43 -20.339 4.193 7.215 348 HB3 LYS 43 HB1 LYS 43 -20.336 3.573 5.566 349 HG2 LYS 43 HG2 LYS 43 -20.144 1.340 6.287 350 HG3 LYS 43 HG1 LYS 43 -19.761 1.823 7.937 351 HD2 LYS 43 HD2 LYS 43 -21.962 1.199 8.121 352 HD3 LYS 43 HD1 LYS 43 -22.111 2.939 7.866 353 HE2 LYS 43 HE2 LYS 43 -23.696 2.075 6.414 354 HE3 LYS 43 HE1 LYS 43 -22.299 2.295 5.362 355 HZ1 LYS 43 HZ1 LYS 43 -21.780 -0.047 5.587 356 HZ2 LYS 43 HZ2 LYS 43 -23.371 0.136 5.040 357 HZ3 LYS 43 HZ3 LYS 43 -23.076 -0.265 6.655 358 H ASN 44 HN ASN 44 -18.090 1.162 6.872 359 HA ASN 44 HA ASN 44 -17.381 -0.630 5.770 360 HB2 ASN 44 HB2 ASN 44 -17.753 0.677 3.100 361 HB3 ASN 44 HB1 ASN 44 -18.084 -0.967 3.591 362 HD21 ASN 44 HD21 ASN 44 -19.365 2.071 3.026 363 HD22 ASN 44 HD22 ASN 44 -20.975 1.761 3.564 364 H PHE 45 HN PHE 45 -15.580 1.643 6.401 365 HA PHE 45 HA PHE 45 -13.572 2.390 4.909 366 HB2 PHE 45 HB2 PHE 45 -13.616 2.492 7.396 367 HB3 PHE 45 HB1 PHE 45 -13.154 0.804 7.471 368 HD1 PHE 45 HD1 PHE 45 -10.936 0.541 5.688 369 HD2 PHE 45 HD2 PHE 45 -11.899 3.813 8.225 370 HE1 PHE 45 HE1 PHE 45 -8.571 1.153 5.759 371 HE2 PHE 45 HE2 PHE 45 -9.535 4.449 8.290 372 HZ PHE 45 HZ PHE 45 -7.861 3.126 7.061 373 H LYS 46 HN LYS 46 -12.415 1.616 3.334 374 HA LYS 46 HA LYS 46 -12.364 -0.995 2.398 375 HB2 LYS 46 HB2 LYS 46 -11.358 1.550 1.669 376 HB3 LYS 46 HB1 LYS 46 -10.032 0.402 1.534 377 HG2 LYS 46 HG2 LYS 46 -10.843 -0.287 -0.403 378 HG3 LYS 46 HG1 LYS 46 -12.307 -0.829 0.412 379 HD2 LYS 46 HD2 LYS 46 -13.295 1.387 0.155 380 HD3 LYS 46 HD1 LYS 46 -11.827 1.955 -0.645 381 HE2 LYS 46 HE2 LYS 46 -13.778 1.303 -2.138 382 HE3 LYS 46 HE1 LYS 46 -12.205 0.609 -2.532 383 HZ1 LYS 46 HZ1 LYS 46 -14.192 -0.948 -2.539 384 HZ2 LYS 46 HZ2 LYS 46 -14.160 -0.834 -0.847 385 HZ3 LYS 46 HZ3 LYS 46 -12.825 -1.457 -1.678 386 HA PRO 47 HA PRO 47 -9.116 -3.347 4.207 387 HB2 PRO 47 HB2 PRO 47 -7.128 -2.799 2.063 388 HB3 PRO 47 HB1 PRO 47 -7.681 -4.347 2.727 389 HG2 PRO 47 HG2 PRO 47 -8.506 -3.529 0.348 390 HG3 PRO 47 HG1 PRO 47 -9.607 -4.365 1.467 391 HD2 PRO 47 HD2 PRO 47 -9.451 -1.458 0.809 392 HD3 PRO 47 HD1 PRO 47 -10.873 -2.452 1.133 393 H THR 48 HN THR 48 -7.158 -3.312 5.325 394 HA THR 48 HA THR 48 -6.650 -0.735 6.444 395 HB THR 48 HB THR 48 -5.566 -1.904 8.183 396 HG1 THR 48 HG1 THR 48 -4.981 -4.155 7.878 397 HG21 THR 48 HG21 THR 48 -7.222 -3.403 8.862 398 HG22 THR 48 HG22 THR 48 -7.531 -3.926 7.205 399 HG23 THR 48 HG23 THR 48 -8.066 -2.331 7.740 400 H LYS 49 HN LYS 49 -4.271 -0.595 7.293 401 HA LYS 49 HA LYS 49 -2.650 0.451 5.411 402 HB2 LYS 49 HB2 LYS 49 -0.762 0.056 7.050 403 HB3 LYS 49 HB1 LYS 49 -2.153 0.926 7.652 404 HG2 LYS 49 HG2 LYS 49 -1.940 -2.025 8.065 405 HG3 LYS 49 HG1 LYS 49 -1.036 -0.918 9.094 406 HD2 LYS 49 HD2 LYS 49 -4.025 -1.055 8.741 407 HD3 LYS 49 HD1 LYS 49 -3.106 -1.480 10.176 408 HE2 LYS 49 HE2 LYS 49 -2.462 0.807 10.493 409 HE3 LYS 49 HE1 LYS 49 -3.219 1.278 8.976 410 HZ1 LYS 49 HZ1 LYS 49 -5.217 0.057 10.373 411 HZ2 LYS 49 HZ2 LYS 49 -5.006 1.729 10.178 412 HZ3 LYS 49 HZ3 LYS 49 -4.390 0.948 11.551 413 H TYR 50 HN TYR 50 -3.143 -2.935 5.749 414 HA TYR 50 HA TYR 50 -0.527 -3.598 4.733 415 HB2 TYR 50 HB2 TYR 50 -3.017 -5.215 5.120 416 HB3 TYR 50 HB1 TYR 50 -1.547 -5.879 4.429 417 HD1 TYR 50 HD1 TYR 50 0.537 -5.867 5.821 418 HD2 TYR 50 HD2 TYR 50 -3.305 -5.042 7.438 419 HE1 TYR 50 HE1 TYR 50 1.370 -6.458 8.044 420 HE2 TYR 50 HE2 TYR 50 -2.471 -5.604 9.693 421 HH TYR 50 HH TYR 50 -0.107 -7.442 10.283 422 H SER 51 HN SER 51 -3.662 -2.799 3.422 423 HA SER 51 HA SER 51 -3.054 -3.932 0.861 424 HB2 SER 51 HB2 SER 51 -5.035 -2.440 0.130 425 HB3 SER 51 HB1 SER 51 -5.348 -3.798 1.209 426 HG SER 51 HG SER 51 -5.493 -2.409 2.909 427 H SER 52 HN SER 52 -3.160 -2.314 -1.089 428 HA SER 52 HA SER 52 -1.151 -0.271 -0.519 429 HB2 SER 52 HB2 SER 52 -0.956 -0.680 -3.184 430 HB3 SER 52 HB1 SER 52 -0.026 -1.556 -1.970 431 HG SER 52 HG SER 52 -0.933 -3.293 -2.920 432 H ILE 53 HN ILE 53 -1.283 1.753 -1.399 433 HA ILE 53 HA ILE 53 -3.983 2.596 -2.244 434 HB ILE 53 HB ILE 53 -1.883 4.148 -0.677 435 HG12 ILE 53 HG12 ILE 53 -3.744 4.172 1.075 436 HG13 ILE 53 HG11 ILE 53 -4.507 2.898 0.141 437 HG21 ILE 53 HG21 ILE 53 -3.668 5.858 -0.409 438 HG22 ILE 53 HG22 ILE 53 -4.615 4.991 -1.617 439 HG23 ILE 53 HG23 ILE 53 -3.056 5.698 -2.065 440 HD11 ILE 53 HD11 ILE 53 -3.373 1.711 1.750 441 HD12 ILE 53 HD12 ILE 53 -2.004 2.821 1.761 442 HD13 ILE 53 HD13 ILE 53 -2.215 1.695 0.417 443 H CYS 54 HN CYS 54 -3.870 4.709 -3.642 444 HA CYS 54 HA CYS 54 -1.595 4.440 -5.457 445 HB2 CYS 54 HB2 CYS 54 -3.189 5.169 -7.245 446 HB3 CYS 54 HB1 CYS 54 -3.478 3.590 -6.568 447 H SER 55 HN SER 55 -0.993 6.290 -6.709 448 HA SER 55 HA SER 55 -0.030 8.390 -5.318 449 HB2 SER 55 HB2 SER 55 0.104 9.582 -7.541 450 HB3 SER 55 HB1 SER 55 0.759 7.944 -7.500 451 HG SER 55 HG SER 55 -0.989 8.839 -9.166 452 H GLU 56 HN GLU 56 -2.686 8.953 -7.531 453 HA GLU 56 HA GLU 56 -3.553 11.372 -7.291 454 HB2 GLU 56 HB2 GLU 56 -5.970 10.113 -6.993 455 HB3 GLU 56 HB1 GLU 56 -5.071 10.246 -8.504 456 HG2 GLU 56 HG2 GLU 56 -4.240 8.088 -8.351 457 HG3 GLU 56 HG1 GLU 56 -4.520 8.000 -6.623 458 H HIS 57 HN HIS 57 -3.748 9.265 -4.505 459 HA HIS 57 HA HIS 57 -5.618 10.985 -3.143 460 HB2 HIS 57 HB2 HIS 57 -4.077 8.573 -2.185 461 HB3 HIS 57 HB1 HIS 57 -5.325 9.412 -1.257 462 HD1 HIS 57 HD1 HIS 57 -7.618 9.741 -3.049 463 HD2 HIS 57 HD2 HIS 57 -5.161 6.398 -3.319 464 HE1 HIS 57 HE1 HIS 57 -8.944 7.989 -4.289 465 H PHE 58 HN PHE 58 -2.207 10.989 -3.486 466 HA PHE 58 HA PHE 58 -2.076 12.911 -1.265 467 HB2 PHE 58 HB2 PHE 58 0.520 11.693 -1.712 468 HB3 PHE 58 HB1 PHE 58 -0.384 11.889 -0.208 469 HD1 PHE 58 HD1 PHE 58 -2.092 10.103 0.404 470 HD2 PHE 58 HD2 PHE 58 0.773 9.652 -2.712 471 HE1 PHE 58 HE1 PHE 58 -2.366 7.668 0.505 472 HE2 PHE 58 HE2 PHE 58 0.495 7.220 -2.615 473 HZ PHE 58 HZ PHE 58 -1.077 6.221 -1.009 474 H THR 59 HN THR 59 -0.241 14.362 -1.430 475 HA THR 59 HA THR 59 -0.008 15.403 -4.099 476 HB THR 59 HB THR 59 1.619 16.988 -2.759 477 HG1 THR 59 HG1 THR 59 0.978 17.054 -0.535 478 HG21 THR 59 HG21 THR 59 -1.374 16.870 -2.595 479 HG22 THR 59 HG22 THR 59 -0.364 17.879 -3.632 480 HG23 THR 59 HG23 THR 59 -0.457 18.207 -1.904 481 HA PRO 60 HA PRO 60 3.686 13.483 -5.518 482 HB2 PRO 60 HB2 PRO 60 5.018 15.909 -6.151 483 HB3 PRO 60 HB1 PRO 60 4.019 14.939 -7.244 484 HG2 PRO 60 HG2 PRO 60 3.266 17.319 -5.634 485 HG3 PRO 60 HG1 PRO 60 2.749 16.849 -7.265 486 HD2 PRO 60 HD2 PRO 60 1.109 16.531 -5.235 487 HD3 PRO 60 HD1 PRO 60 1.274 15.236 -6.439 488 H ASP 61 HN ASP 61 3.851 16.277 -3.437 489 HA ASP 61 HA ASP 61 6.500 16.070 -2.547 490 HB2 ASP 61 HB2 ASP 61 4.302 16.912 -0.689 491 HB3 ASP 61 HB1 ASP 61 5.932 17.563 -0.839 492 H SER 62 HN SER 62 3.545 14.588 -1.290 493 HA SER 62 HA SER 62 5.055 13.187 0.783 494 HB2 SER 62 HB2 SER 62 2.618 14.332 0.868 495 HB3 SER 62 HB1 SER 62 2.155 12.673 0.469 496 HG SER 62 HG SER 62 2.449 12.279 2.510 497 H PHE 63 HN PHE 63 4.453 12.698 -2.321 498 HA PHE 63 HA PHE 63 3.278 10.452 -3.001 499 HB2 PHE 63 HB2 PHE 63 5.172 11.982 -4.160 500 HB3 PHE 63 HB1 PHE 63 6.030 10.465 -3.990 501 HD1 PHE 63 HD1 PHE 63 3.239 8.936 -4.215 502 HD2 PHE 63 HD2 PHE 63 5.370 11.740 -6.602 503 HE1 PHE 63 HE1 PHE 63 2.144 8.055 -6.218 504 HE2 PHE 63 HE2 PHE 63 4.270 10.862 -8.621 505 HZ PHE 63 HZ PHE 63 2.655 9.011 -8.430 506 H LYS 64 HN LYS 64 6.704 10.123 -1.836 507 HA LYS 64 HA LYS 64 6.217 7.836 -0.304 508 HB2 LYS 64 HB2 LYS 64 7.083 6.017 -1.670 509 HB3 LYS 64 HB1 LYS 64 5.654 6.709 -2.407 510 HG2 LYS 64 HG2 LYS 64 8.400 7.545 -3.275 511 HG3 LYS 64 HG1 LYS 64 7.659 6.072 -3.890 512 HD2 LYS 64 HD2 LYS 64 5.882 8.368 -4.029 513 HD3 LYS 64 HD1 LYS 64 7.378 8.605 -4.929 514 HE2 LYS 64 HE2 LYS 64 5.513 6.257 -5.213 515 HE3 LYS 64 HE1 LYS 64 5.592 7.633 -6.313 516 HZ1 LYS 64 HZ1 LYS 64 7.316 5.334 -6.112 517 HZ2 LYS 64 HZ2 LYS 64 8.159 6.802 -6.224 518 HZ3 LYS 64 HZ3 LYS 64 7.041 6.368 -7.420 519 H ARG 65 HN ARG 65 8.842 6.629 -1.641 520 HA ARG 65 HA ARG 65 10.604 7.772 0.259 521 HB2 ARG 65 HB2 ARG 65 12.389 6.498 -1.132 522 HB3 ARG 65 HB1 ARG 65 11.191 5.595 -0.223 523 HG2 ARG 65 HG2 ARG 65 9.901 5.696 -2.530 524 HG3 ARG 65 HG1 ARG 65 11.543 5.876 -3.151 525 HD2 ARG 65 HD2 ARG 65 10.809 3.700 -1.209 526 HD3 ARG 65 HD1 ARG 65 10.592 3.503 -2.946 527 HE ARG 65 HE ARG 65 13.167 4.238 -2.805 528 HH11 ARG 65 HH11 ARG 65 11.393 1.858 -0.938 529 HH12 ARG 65 HH12 ARG 65 12.743 0.782 -0.770 530 HH21 ARG 65 HH21 ARG 65 14.961 2.811 -2.603 531 HH22 ARG 65 HH22 ARG 65 14.778 1.317 -1.738 532 H GLU 66 HN GLU 66 9.615 8.901 -2.725 533 HA GLU 66 HA GLU 66 12.033 10.427 -3.252 534 HB2 GLU 66 HB2 GLU 66 9.398 10.231 -4.756 535 HB3 GLU 66 HB1 GLU 66 10.718 11.290 -5.225 536 HG2 GLU 66 HG2 GLU 66 11.854 9.634 -6.177 537 HG3 GLU 66 HG1 GLU 66 11.567 8.539 -4.826 538 H SER 67 HN SER 67 9.827 10.687 -1.018 539 HA SER 67 HA SER 67 8.762 13.316 -1.333 540 HB2 SER 67 HB2 SER 67 7.453 11.817 -0.088 541 HB3 SER 67 HB1 SER 67 8.820 11.244 0.850 542 HG SER 67 HG SER 67 7.882 12.543 2.247 543 H ASN 68 HN ASN 68 9.903 12.943 1.815 544 HA ASN 68 HA ASN 68 11.634 15.230 1.527 545 HB2 ASN 68 HB2 ASN 68 9.987 14.290 3.531 546 HB3 ASN 68 HB1 ASN 68 11.596 13.942 4.150 547 HD21 ASN 68 HD21 ASN 68 12.948 15.630 4.724 548 HD22 ASN 68 HD22 ASN 68 12.396 17.265 4.815 549 H ASN 69 HN ASN 69 12.134 12.283 3.412 550 HA ASN 69 HA ASN 69 14.954 12.347 2.615 551 HB2 ASN 69 HB2 ASN 69 15.431 11.076 4.658 552 HB3 ASN 69 HB1 ASN 69 14.586 12.571 5.031 553 HD21 ASN 69 HD21 ASN 69 14.847 9.891 6.393 554 HD22 ASN 69 HD22 ASN 69 13.213 9.436 6.746 555 H LYS 70 HN LYS 70 12.629 9.844 3.642 556 HA LYS 70 HA LYS 70 13.235 8.317 1.251 557 HB2 LYS 70 HB2 LYS 70 14.717 7.802 3.452 558 HB3 LYS 70 HB1 LYS 70 13.358 6.728 3.745 559 HG2 LYS 70 HG2 LYS 70 13.768 5.503 1.769 560 HG3 LYS 70 HG1 LYS 70 14.847 6.747 1.132 561 HD2 LYS 70 HD2 LYS 70 15.436 5.163 3.629 562 HD3 LYS 70 HD1 LYS 70 15.969 4.665 2.025 563 HE2 LYS 70 HE2 LYS 70 16.644 7.324 3.275 564 HE3 LYS 70 HE1 LYS 70 17.685 5.907 3.359 565 HZ1 LYS 70 HZ1 LYS 70 16.784 7.148 0.818 566 HZ2 LYS 70 HZ2 LYS 70 17.942 5.929 1.001 567 HZ3 LYS 70 HZ3 LYS 70 18.260 7.493 1.561 568 H LEU 71 HN LEU 71 11.020 9.557 3.295 569 HA LEU 71 HA LEU 71 8.977 7.756 2.320 570 HB2 LEU 71 HB2 LEU 71 9.962 7.503 4.950 571 HB3 LEU 71 HB1 LEU 71 8.402 8.285 5.092 572 HG LEU 71 HG LEU 71 8.960 5.529 4.771 573 HD11 LEU 71 HD11 LEU 71 7.215 6.581 6.154 574 HD12 LEU 71 HD12 LEU 71 6.599 5.284 5.128 575 HD13 LEU 71 HD13 LEU 71 6.325 6.968 4.681 576 HD21 LEU 71 HD21 LEU 71 7.505 4.977 2.865 577 HD22 LEU 71 HD22 LEU 71 8.977 5.810 2.368 578 HD23 LEU 71 HD23 LEU 71 7.445 6.685 2.434 579 H LEU 72 HN LEU 72 6.741 8.598 3.209 580 HA LEU 72 HA LEU 72 6.349 11.155 2.123 581 HB2 LEU 72 HB2 LEU 72 4.325 10.368 4.070 582 HB3 LEU 72 HB1 LEU 72 4.154 10.749 2.366 583 HG LEU 72 HG LEU 72 5.341 8.255 2.313 584 HD11 LEU 72 HD11 LEU 72 4.813 8.257 4.839 585 HD12 LEU 72 HD12 LEU 72 4.341 6.857 3.876 586 HD13 LEU 72 HD13 LEU 72 3.135 8.061 4.328 587 HD21 LEU 72 HD21 LEU 72 2.449 9.082 2.166 588 HD22 LEU 72 HD22 LEU 72 3.034 7.479 1.719 589 HD23 LEU 72 HD23 LEU 72 3.585 8.901 0.827 590 H LYS 73 HN LYS 73 5.232 12.962 3.276 591 HA LYS 73 HA LYS 73 6.846 13.731 5.529 592 HB2 LYS 73 HB2 LYS 73 4.790 15.622 5.328 593 HB3 LYS 73 HB1 LYS 73 6.436 15.781 4.757 594 HG2 LYS 73 HG2 LYS 73 4.225 14.625 3.085 595 HG3 LYS 73 HG1 LYS 73 4.619 16.343 3.115 596 HD2 LYS 73 HD2 LYS 73 6.488 14.113 2.322 597 HD3 LYS 73 HD1 LYS 73 5.648 15.194 1.215 598 HE2 LYS 73 HE2 LYS 73 7.702 16.014 3.265 599 HE3 LYS 73 HE1 LYS 73 7.973 15.843 1.534 600 HZ1 LYS 73 HZ1 LYS 73 5.939 17.538 1.521 601 HZ2 LYS 73 HZ2 LYS 73 7.551 18.045 1.581 602 HZ3 LYS 73 HZ3 LYS 73 6.636 17.973 2.998 603 H GLU 74 HN GLU 74 6.422 13.327 7.497 604 HA GLU 74 HA GLU 74 4.400 11.844 8.565 605 HB2 GLU 74 HB2 GLU 74 6.461 12.248 9.714 606 HB3 GLU 74 HB1 GLU 74 6.118 13.964 9.834 607 HG2 GLU 74 HG2 GLU 74 4.585 13.683 11.508 608 HG3 GLU 74 HG1 GLU 74 4.257 12.004 11.074 609 H ASN 75 HN ASN 75 4.388 15.254 7.956 610 HA ASN 75 HA ASN 75 1.862 15.598 9.380 611 HB2 ASN 75 HB2 ASN 75 4.035 17.340 8.494 612 HB3 ASN 75 HB1 ASN 75 2.425 18.007 8.260 613 HD21 ASN 75 HD21 ASN 75 3.014 15.731 10.790 614 HD22 ASN 75 HD22 ASN 75 2.936 16.851 12.102 615 H ALA 76 HN ALA 76 2.282 14.216 6.684 616 HA ALA 76 HA ALA 76 0.181 15.708 5.249 617 HB1 ALA 76 HB1 ALA 76 2.405 15.826 4.117 618 HB2 ALA 76 HB2 ALA 76 1.121 15.121 3.138 619 HB3 ALA 76 HB3 ALA 76 2.324 14.077 3.896 620 H VAL 77 HN VAL 77 -1.594 14.666 4.820 621 HA VAL 77 HA VAL 77 -1.595 11.739 4.709 622 HB VAL 77 HB VAL 77 -2.351 11.997 6.892 623 HG11 VAL 77 HG11 VAL 77 -2.485 14.483 6.770 624 HG12 VAL 77 HG12 VAL 77 -3.724 13.713 7.765 625 HG13 VAL 77 HG13 VAL 77 -4.127 14.298 6.149 626 HG21 VAL 77 HG21 VAL 77 -4.835 12.069 5.186 627 HG22 VAL 77 HG22 VAL 77 -4.813 11.651 6.899 628 HG23 VAL 77 HG23 VAL 77 -3.956 10.641 5.735 629 HA PRO 78 HA PRO 78 -3.738 12.151 0.870 630 HB2 PRO 78 HB2 PRO 78 -5.522 10.019 1.340 631 HB3 PRO 78 HB1 PRO 78 -3.932 9.902 0.568 632 HG2 PRO 78 HG2 PRO 78 -4.706 9.359 3.369 633 HG3 PRO 78 HG1 PRO 78 -3.500 8.556 2.342 634 HD2 PRO 78 HD2 PRO 78 -2.736 10.230 4.249 635 HD3 PRO 78 HD1 PRO 78 -1.915 10.229 2.678 636 H THR 79 HN THR 79 -4.886 14.022 0.997 637 HA THR 79 HA THR 79 -7.524 13.922 2.281 638 HB THR 79 HB THR 79 -5.806 15.753 2.825 639 HG1 THR 79 HG1 THR 79 -8.472 16.366 2.014 640 HG21 THR 79 HG21 THR 79 -6.643 16.597 0.067 641 HG22 THR 79 HG22 THR 79 -5.014 16.424 0.716 642 HG23 THR 79 HG23 THR 79 -6.046 17.749 1.258 643 H ILE 80 HN ILE 80 -5.987 13.756 -0.683 644 HA ILE 80 HA ILE 80 -7.916 15.029 -2.364 645 HB ILE 80 HB ILE 80 -6.067 12.907 -3.372 646 HG12 ILE 80 HG12 ILE 80 -4.984 14.644 -1.665 647 HG13 ILE 80 HG11 ILE 80 -4.140 14.124 -3.116 648 HG21 ILE 80 HG21 ILE 80 -6.999 15.545 -4.490 649 HG22 ILE 80 HG22 ILE 80 -7.558 13.939 -4.963 650 HG23 ILE 80 HG23 ILE 80 -5.897 14.429 -5.300 651 HD11 ILE 80 HD11 ILE 80 -3.941 16.512 -2.785 652 HD12 ILE 80 HD12 ILE 80 -5.696 16.678 -2.792 653 HD13 ILE 80 HD13 ILE 80 -4.854 16.163 -4.253 654 H PHE 81 HN PHE 81 -8.400 12.428 -0.522 655 HA PHE 81 HA PHE 81 -9.239 10.288 -2.005 656 HB2 PHE 81 HB2 PHE 81 -10.347 11.473 0.520 657 HB3 PHE 81 HB1 PHE 81 -11.087 10.054 -0.208 658 HD1 PHE 81 HD1 PHE 81 -7.879 9.523 -1.112 659 HD2 PHE 81 HD2 PHE 81 -10.207 9.738 2.443 660 HE1 PHE 81 HE1 PHE 81 -6.269 8.067 0.028 661 HE2 PHE 81 HE2 PHE 81 -8.589 8.285 3.585 662 HZ PHE 81 HZ PHE 81 -6.611 7.449 2.376 663 H LEU 82 HN LEU 82 -11.499 12.855 -0.981 664 HA LEU 82 HA LEU 82 -12.730 12.975 -3.558 665 HB2 LEU 82 HB2 LEU 82 -13.861 11.274 -1.428 666 HB3 LEU 82 HB1 LEU 82 -15.004 12.369 -2.181 667 HG LEU 82 HG LEU 82 -13.491 10.085 -3.421 668 HD11 LEU 82 HD11 LEU 82 -15.734 9.408 -4.119 669 HD12 LEU 82 HD12 LEU 82 -16.407 10.834 -3.328 670 HD13 LEU 82 HD13 LEU 82 -15.617 9.583 -2.369 671 HD21 LEU 82 HD21 LEU 82 -13.186 11.838 -5.015 672 HD22 LEU 82 HD22 LEU 82 -14.865 12.348 -4.859 673 HD23 LEU 82 HD23 LEU 82 -14.482 10.798 -5.598 674 H GLU 83 HN GLU 83 -14.666 14.471 -3.466 675 HA GLU 83 HA GLU 83 -14.006 16.800 -2.000 676 HB2 GLU 83 HB2 GLU 83 -15.133 16.844 -4.196 677 HB3 GLU 83 HB1 GLU 83 -16.552 16.100 -3.479 678 HG2 GLU 83 HG2 GLU 83 -16.999 18.027 -2.160 679 HG3 GLU 83 HG1 GLU 83 -15.458 18.759 -2.611 680 H LEU 84 HN LEU 84 -16.610 14.416 -1.741 681 HA LEU 84 HA LEU 84 -16.763 14.822 1.107 682 HB2 LEU 84 HB2 LEU 84 -18.348 16.471 -0.295 683 HB3 LEU 84 HB1 LEU 84 -19.398 15.068 -0.241 684 HG LEU 84 HG LEU 84 -19.935 16.606 1.564 685 HD11 LEU 84 HD11 LEU 84 -19.703 15.072 3.486 686 HD12 LEU 84 HD12 LEU 84 -18.604 14.079 2.529 687 HD13 LEU 84 HD13 LEU 84 -20.283 14.266 2.030 688 HD21 LEU 84 HD21 LEU 84 -17.143 16.151 2.598 689 HD22 LEU 84 HD22 LEU 84 -18.387 17.191 3.289 690 HD23 LEU 84 HD23 LEU 84 -17.660 17.599 1.735 691 H VAL 85 HN VAL 85 -19.031 13.545 -1.324 692 HA VAL 85 HA VAL 85 -18.512 10.835 -0.370 693 HB VAL 85 HB VAL 85 -21.120 10.545 -0.597 694 HG11 VAL 85 HG11 VAL 85 -20.084 10.000 1.445 695 HG12 VAL 85 HG12 VAL 85 -21.332 11.171 1.868 696 HG13 VAL 85 HG13 VAL 85 -19.646 11.678 1.766 697 HG21 VAL 85 HG21 VAL 85 -21.129 13.340 0.461 698 HG22 VAL 85 HG22 VAL 85 -22.463 12.384 -0.184 699 HG23 VAL 85 HG23 VAL 85 -21.244 13.045 -1.273 700 HA PRO 86 HA PRO 86 -18.611 9.649 -4.645 701 HB2 PRO 86 HB2 PRO 86 -20.306 7.371 -3.769 702 HB3 PRO 86 HB1 PRO 86 -18.761 7.358 -4.639 703 HG2 PRO 86 HG2 PRO 86 -18.888 6.658 -2.096 704 HG3 PRO 86 HG1 PRO 86 -17.519 7.593 -2.730 705 HD2 PRO 86 HD2 PRO 86 -19.813 8.515 -1.070 706 HD3 PRO 86 HD1 PRO 86 -18.118 9.025 -1.038 707 H ARG 87 HN ARG 87 -19.837 10.008 -6.374 708 HA ARG 87 HA ARG 87 -21.581 10.599 -7.695 709 HB2 ARG 87 HB2 ARG 87 -23.305 9.049 -5.756 710 HB3 ARG 87 HB1 ARG 87 -23.647 9.384 -7.448 711 HG2 ARG 87 HG2 ARG 87 -21.186 7.863 -6.708 712 HG3 ARG 87 HG1 ARG 87 -22.757 7.046 -6.726 713 HD2 ARG 87 HD2 ARG 87 -22.731 8.477 -9.091 714 HD3 ARG 87 HD1 ARG 87 -21.076 7.895 -8.942 715 HE ARG 87 HE ARG 87 -21.984 5.636 -8.791 716 HH11 ARG 87 HH11 ARG 87 -24.087 8.144 -10.065 717 HH12 ARG 87 HH12 ARG 87 -25.126 7.020 -10.886 718 HH21 ARG 87 HH21 ARG 87 -23.350 4.172 -9.888 719 HH22 ARG 87 HH22 ARG 87 -24.702 4.772 -10.797 720 H5' DG 1 H5' G 1 32.005 -1.954 -7.074 721 H5'' DG 1 H5'' G 1 30.881 -2.508 -8.331 722 H4' DG 1 H4' G 1 31.615 -4.359 -6.959 723 H3' DG 1 H3' G 1 29.079 -4.156 -7.699 724 H2' DG 1 H2' G 1 28.252 -2.797 -5.901 725 H2'' DG 1 H2'' G 1 27.881 -4.403 -5.291 726 H1' DG 1 H1' G 1 29.756 -4.448 -3.847 727 H8 DG 1 H8 G 1 29.071 -0.865 -5.132 728 H1 DG 1 H1 G 1 29.667 -1.507 1.220 729 H21 DG 1 H21 G 1 30.382 -4.827 0.516 730 H22 DG 1 H22 G 1 30.175 -3.601 1.737 731 HO5' DG 1 H5T G 1 29.596 -1.060 -7.578 732 H5' DC 2 H5' C 2 29.925 -7.217 -4.334 733 H5'' DC 2 H5'' C 2 29.468 -8.760 -5.081 734 H4' DC 2 H4' C 2 29.285 -9.148 -2.792 735 H3' DC 2 H3' C 2 27.067 -9.593 -4.176 736 H2' DC 2 H2' C 2 26.079 -7.416 -4.059 737 H2'' DC 2 H2'' C 2 25.304 -8.198 -2.689 738 H1' DC 2 H1' C 2 26.757 -7.194 -1.107 739 H41 DC 2 H41 C 2 26.055 -1.169 -3.772 740 H42 DC 2 H42 C 2 26.116 -0.973 -2.047 741 H5 DC 2 H5 C 2 26.336 -3.339 -4.863 742 H6 DC 2 H6 C 2 26.746 -5.716 -4.496 743 H5' DT 3 H5' T 3 26.754 -9.564 0.388 744 H5'' DT 3 H5'' T 3 26.262 -11.232 0.740 745 H4' DT 3 H4' T 3 25.671 -10.051 2.648 746 H3' DT 3 H3' T 3 23.654 -11.314 1.482 747 H2' DT 3 H2' T 3 22.917 -9.589 -0.012 748 H2'' DT 3 H2'' T 3 21.854 -9.313 1.362 749 H1' DT 3 H1' T 3 23.157 -7.516 2.194 750 H3 DT 3 H3 T 3 23.335 -3.877 -0.343 751 H71 DT 3 H71 T 3 23.791 -8.144 -3.622 752 H72 DT 3 H72 T 3 22.440 -7.030 -3.932 753 H73 DT 3 H73 T 3 24.115 -6.490 -4.195 754 H6 DT 3 H6 T 3 23.727 -8.535 -1.305 755 H5' DT 4 H5' T 4 22.763 -8.303 4.820 756 H5'' DT 4 H5'' T 4 22.110 -9.395 6.054 757 H4' DT 4 H4' T 4 21.396 -7.302 6.743 758 H3' DT 4 H3' T 4 19.420 -9.011 6.287 759 H2' DT 4 H2' T 4 19.023 -8.554 3.966 760 H2'' DT 4 H2'' T 4 17.835 -7.498 4.720 761 H1' DT 4 H1' T 4 19.193 -5.569 4.484 762 H3 DT 4 H3 T 4 19.984 -4.236 0.328 763 H71 DT 4 H71 T 4 19.296 -9.035 -0.610 764 H72 DT 4 H72 T 4 20.676 -9.571 0.378 765 H73 DT 4 H73 T 4 20.951 -8.573 -1.071 766 H6 DT 4 H6 T 4 20.058 -8.513 2.442 767 H5' DG 5 H5' G 5 18.529 -4.547 7.113 768 H5'' DG 5 H5'' G 5 17.597 -4.727 8.611 769 H4' DG 5 H4' G 5 17.063 -2.591 7.903 770 H3' DG 5 H3' G 5 14.968 -4.204 8.111 771 H2' DG 5 H2' G 5 14.941 -5.111 5.898 772 H2'' DG 5 H2'' G 5 13.818 -3.771 5.706 773 H1' DG 5 H1' G 5 15.431 -2.365 4.688 774 H8 DG 5 H8 G 5 16.638 -6.049 4.708 775 H1 DG 5 H1 G 5 16.726 -3.051 -0.958 776 H21 DG 5 H21 G 5 15.727 -0.267 0.845 777 H22 DG 5 H22 G 5 16.149 -0.937 -0.714 778 H5' DT 6 H5' T 6 14.184 -0.097 6.034 779 H5'' DT 6 H5'' T 6 13.028 0.607 7.183 780 H4' DT 6 H4' T 6 12.630 1.759 5.202 781 H3' DT 6 H3' T 6 10.520 0.503 6.199 782 H2' DT 6 H2' T 6 10.786 -1.618 5.117 783 H2'' DT 6 H2'' T 6 9.664 -0.821 4.034 784 H1' DT 6 H1' T 6 11.387 -0.237 2.480 785 H3 DT 6 H3 T 6 13.446 -3.610 0.434 786 H71 DT 6 H71 T 6 12.027 -6.185 4.211 787 H72 DT 6 H72 T 6 13.740 -5.918 4.611 788 H73 DT 6 H73 T 6 12.470 -5.090 5.542 789 H6 DT 6 H6 T 6 12.063 -2.878 4.940 790 H5' DG 7 H5' G 7 10.419 2.487 2.073 791 H5'' DG 7 H5'' G 7 9.082 3.642 2.223 792 H4' DG 7 H4' G 7 9.360 3.426 -0.066 793 H3' DG 7 H3' G 7 6.936 2.769 0.782 794 H2' DG 7 H2' G 7 7.283 0.439 1.208 795 H2'' DG 7 H2'' G 7 6.644 0.385 -0.428 796 H1' DG 7 H1' G 7 8.792 0.119 -1.410 797 H8 DG 7 H8 G 7 9.156 -0.457 2.403 798 H1 DG 7 H1 G 7 10.821 -5.347 -1.401 799 H21 DG 7 H21 G 7 10.073 -3.158 -3.985 800 H22 DG 7 H22 G 7 10.617 -4.755 -3.531 801 H5' DT 8 H5' T 8 7.972 1.039 -3.371 802 H5'' DT 8 H5'' T 8 6.935 2.112 -4.332 803 H4' DT 8 H4' T 8 7.152 0.281 -5.714 804 H3' DT 8 H3' T 8 4.654 0.742 -4.949 805 H2' DT 8 H2' T 8 4.601 -0.594 -2.961 806 H2'' DT 8 H2'' T 8 3.946 -1.726 -4.131 807 H1' DT 8 H1' T 8 6.017 -2.851 -4.411 808 H3 DT 8 H3 T 8 7.399 -5.169 -0.921 809 H71 DT 8 H71 T 8 6.739 -1.483 1.936 810 H72 DT 8 H72 T 8 5.770 -0.370 0.943 811 H73 DT 8 H73 T 8 5.013 -1.811 1.661 812 H6 DT 8 H6 T 8 5.727 -0.724 -1.384 813 H5' DG 9 H5' G 9 4.794 -4.097 -6.998 814 H5'' DG 9 H5'' G 9 4.037 -3.164 -8.307 815 H4' DG 9 H4' G 9 3.054 -5.243 -8.517 816 H3' DG 9 H3' G 9 1.325 -3.298 -7.998 817 H2' DG 9 H2' G 9 1.295 -3.382 -5.621 818 H2'' DG 9 H2'' G 9 -0.061 -4.443 -5.988 819 H1' DG 9 H1' G 9 1.198 -6.418 -5.642 820 H8 DG 9 H8 G 9 1.941 -3.239 -3.847 821 H1 DG 9 H1 G 9 3.986 -8.446 -0.710 822 H21 DG 9 H21 G 9 3.561 -10.081 -3.716 823 H22 DG 9 H22 G 9 4.061 -10.188 -2.048 824 H5' DG 10 H5' G 10 0.130 -7.519 -8.149 825 H5'' DG 10 H5'' G 10 -1.086 -7.626 -9.432 826 H4' DG 10 H4' G 10 -1.287 -9.629 -8.299 827 H3' DG 10 H3' G 10 -3.528 -8.213 -8.347 828 H2' DG 10 H2' G 10 -3.275 -6.947 -6.326 829 H2'' DG 10 H2'' G 10 -4.185 -8.327 -5.719 830 H1' DG 10 H1' G 10 -2.294 -9.394 -4.845 831 H8 DG 10 H8 G 10 -1.747 -5.599 -5.426 832 H1 DG 10 H1 G 10 0.299 -8.082 0.137 833 H21 DG 10 H21 G 10 -0.284 -11.123 -1.400 834 H22 DG 10 H22 G 10 0.267 -10.293 0.035 835 H5' DG 11 H5' G 11 -3.049 -11.496 -5.211 836 H5'' DG 11 H5'' G 11 -3.565 -12.508 -6.576 837 H4' DG 11 H4' G 11 -3.587 -13.981 -4.802 838 H3' DG 11 H3' G 11 -5.951 -13.658 -5.951 839 H2' DG 11 H2' G 11 -6.804 -11.857 -4.650 840 H2'' DG 11 H2'' G 11 -7.462 -13.220 -3.753 841 H1' DG 11 H1' G 11 -5.802 -13.107 -2.067 842 H8 DG 11 H8 G 11 -6.120 -9.891 -4.191 843 H1 DG 11 H1 G 11 -5.370 -9.034 2.131 844 H21 DG 11 H21 G 11 -4.753 -12.436 2.216 845 H22 DG 11 H22 G 11 -4.850 -10.934 3.101 846 H5' DC 12 H5' C 12 -5.749 -16.454 -2.174 847 H5'' DC 12 H5'' C 12 -6.409 -17.962 -2.840 848 H4' DC 12 H4' C 12 -6.733 -18.103 -0.525 849 H3' DC 12 H3' C 12 -8.907 -18.413 -2.008 850 H2' DC 12 H2' C 12 -9.623 -16.137 -2.149 851 H2'' DC 12 H2'' C 12 -10.557 -16.677 -0.763 852 H1' DC 12 H1' C 12 -9.080 -15.685 0.803 853 H41 DC 12 H41 C 12 -9.022 -9.971 -2.516 854 H42 DC 12 H42 C 12 -8.910 -9.589 -0.820 855 H5 DC 12 H5 C 12 -8.964 -12.260 -3.351 856 H6 DC 12 H6 C 12 -8.811 -14.606 -2.719 857 H5' DA 13 H5' A 13 -9.631 -18.178 2.682 858 H5'' DA 13 H5'' A 13 -10.373 -19.773 2.924 859 H4' DA 13 H4' A 13 -11.096 -18.479 4.728 860 H3' DA 13 H3' A 13 -13.034 -19.578 3.297 861 H2' DA 13 H2' A 13 -13.393 -17.849 1.689 862 H2'' DA 13 H2'' A 13 -14.592 -17.407 2.899 863 H1' DA 13 H1' A 13 -13.254 -15.697 3.823 864 H8 DA 13 H8 A 13 -12.109 -16.819 0.298 865 H61 DA 13 H61 A 13 -11.684 -12.352 -1.589 866 H62 DA 13 H62 A 13 -11.813 -10.738 -0.909 867 H2 DA 13 H2 A 13 -12.760 -11.275 3.446 868 H5' DG 14 H5' G 14 -14.233 -16.523 6.634 869 H5'' DG 14 H5'' G 14 -15.165 -17.613 7.678 870 H4' DG 14 H4' G 14 -15.858 -15.472 8.281 871 H3' DG 14 H3' G 14 -17.807 -17.094 7.516 872 H2' DG 14 H2' G 14 -17.818 -16.627 5.170 873 H2'' DG 14 H2'' G 14 -19.054 -15.510 5.729 874 H1' DG 14 H1' G 14 -17.594 -13.643 5.682 875 H8 DG 14 H8 G 14 -16.392 -16.669 3.629 876 H1 DG 14 H1 G 14 -15.878 -10.954 0.760 877 H21 DG 14 H21 G 14 -16.808 -9.684 3.858 878 H22 DG 14 H22 G 14 -16.365 -9.330 2.206 879 H5' DC 15 H5' C 15 -19.119 -12.585 8.708 880 H5'' DC 15 H5'' C 15 -20.575 -12.895 9.671 881 H4' DC 15 H4' C 15 -20.742 -10.708 8.742 882 H3' DC 15 H3' C 15 -22.795 -12.375 8.506 883 H2' DC 15 H2' C 15 -22.281 -13.402 6.450 884 H2'' DC 15 H2'' C 15 -23.297 -12.091 5.868 885 H1' DC 15 H1' C 15 -21.463 -10.762 5.202 886 H41 DC 15 H41 C 15 -19.017 -15.927 1.948 887 H42 DC 15 H42 C 15 -18.695 -14.500 0.995 888 H5 DC 15 H5 C 15 -19.950 -15.816 4.191 889 H6 DC 15 H6 C 15 -20.813 -14.317 5.914 890 H5' DG 16 H5' G 16 -25.151 -7.740 8.055 891 H5'' DG 16 H5'' G 16 -26.729 -8.327 7.514 892 H4' DG 16 H4' G 16 -26.042 -6.077 6.653 893 H3' DG 16 H3' G 16 -27.532 -7.844 5.339 894 H2' DG 16 H2' G 16 -26.044 -9.031 4.126 895 H2'' DG 16 H2'' G 16 -26.337 -7.762 2.948 896 H1' DG 16 H1' G 16 -24.283 -6.707 3.401 897 H8 DG 16 H8 G 16 -23.490 -9.405 5.966 898 H1 DG 16 H1 G 16 -22.349 -11.207 -0.074 899 H21 DG 16 H21 G 16 -23.532 -8.085 -0.941 900 H22 DG 16 H22 G 16 -22.869 -9.619 -1.457 901 H5' DC 17 H5' C 17 -24.062 -14.641 -6.794 902 H5'' DC 17 H5'' C 17 -22.640 -15.134 -7.729 903 H4' DC 17 H4' C 17 -22.933 -12.699 -7.647 904 H3' DC 17 H3' C 17 -20.523 -13.801 -7.588 905 H2' DC 17 H2' C 17 -20.315 -14.180 -5.229 906 H2'' DC 17 H2'' C 17 -19.517 -12.622 -5.389 907 H1' DC 17 H1' C 17 -21.405 -11.420 -4.608 908 H41 DC 17 H41 C 17 -21.961 -15.565 0.479 909 H42 DC 17 H42 C 17 -22.338 -13.967 1.077 910 H5 DC 17 H5 C 17 -21.579 -16.045 -1.870 911 H6 DC 17 H6 C 17 -21.436 -15.068 -4.098 912 H5' DG 18 H5' G 18 -20.781 -9.085 -6.862 913 H5'' DG 18 H5'' G 18 -19.503 -8.461 -7.920 914 H4' DG 18 H4' G 18 -19.931 -6.910 -6.125 915 H3' DG 18 H3' G 18 -17.441 -7.480 -6.836 916 H2' DG 18 H2' G 18 -17.044 -9.373 -5.437 917 H2'' DG 18 H2'' G 18 -16.396 -8.085 -4.431 918 H1' DG 18 H1' G 18 -18.334 -7.990 -3.061 919 H8 DG 18 H8 G 18 -18.028 -11.217 -5.140 920 H1 DG 18 H1 G 18 -19.520 -12.002 1.046 921 H21 DG 18 H21 G 18 -19.778 -8.544 1.111 922 H22 DG 18 H22 G 18 -19.888 -10.034 2.013 923 H5' DC 19 H5' C 19 -18.132 -5.148 -3.008 924 H5'' DC 19 H5'' C 19 -17.373 -3.570 -3.300 925 H4' DC 19 H4' C 19 -17.566 -3.720 -0.982 926 H3' DC 19 H3' C 19 -15.100 -3.304 -1.858 927 H2' DC 19 H2' C 19 -14.376 -5.568 -2.120 928 H2'' DC 19 H2'' C 19 -13.794 -5.225 -0.498 929 H1' DC 19 H1' C 19 -15.597 -6.367 0.543 930 H41 DC 19 H41 C 19 -15.078 -11.584 -3.541 931 H42 DC 19 H42 C 19 -15.387 -12.165 -1.929 932 H5 DC 19 H5 C 19 -15.034 -9.160 -4.048 933 H6 DC 19 H6 C 19 -15.245 -6.925 -3.096 934 H5' DT 20 H5' T 20 -15.600 -3.867 2.877 935 H5'' DT 20 H5'' T 20 -14.707 -2.455 3.468 936 H4' DT 20 H4' T 20 -14.789 -4.175 5.159 937 H3' DT 20 H3' T 20 -12.533 -2.858 4.739 938 H2' DT 20 H2' T 20 -11.604 -4.229 2.989 939 H2'' DT 20 H2'' T 20 -10.834 -4.923 4.410 940 H1' DT 20 H1' T 20 -12.344 -6.747 4.513 941 H3 DT 20 H3 T 20 -12.273 -9.623 1.154 942 H71 DT 20 H71 T 20 -12.373 -6.105 -1.985 943 H72 DT 20 H72 T 20 -10.719 -5.778 -1.415 944 H73 DT 20 H73 T 20 -12.043 -4.670 -0.986 945 H6 DT 20 H6 T 20 -12.273 -4.854 1.342 946 H5' DG 21 H5' G 21 -11.536 -7.053 7.490 947 H5'' DG 21 H5'' G 21 -11.197 -5.948 8.836 948 H4' DG 21 H4' G 21 -9.802 -7.755 9.237 949 H3' DG 21 H3' G 21 -8.508 -5.466 8.962 950 H2' DG 21 H2' G 21 -8.134 -5.491 6.602 951 H2'' DG 21 H2'' G 21 -6.632 -6.203 7.170 952 H1' DG 21 H1' G 21 -7.325 -8.415 6.659 953 H8 DG 21 H8 G 21 -8.832 -5.480 4.840 954 H1 DG 21 H1 G 21 -8.624 -10.887 1.389 955 H21 DG 21 H21 G 21 -7.873 -12.406 4.407 956 H22 DG 21 H22 G 21 -8.162 -12.609 2.695 957 H5' DC 22 H5' C 22 -6.252 -9.292 9.124 958 H5'' DC 22 H5'' C 22 -5.195 -9.207 10.545 959 H4' DC 22 H4' C 22 -4.292 -10.911 9.247 960 H3' DC 22 H3' C 22 -2.619 -8.924 9.791 961 H2' DC 22 H2' C 22 -3.015 -7.514 7.909 962 H2'' DC 22 H2'' C 22 -1.660 -8.460 7.301 963 H1' DC 22 H1' C 22 -3.022 -9.880 6.018 964 H41 DC 22 H41 C 22 -5.812 -4.606 3.176 965 H42 DC 22 H42 C 22 -5.892 -5.952 2.077 966 H5 DC 22 H5 C 22 -5.222 -5.005 5.607 967 H6 DC 22 H6 C 22 -4.272 -6.641 7.150 968 H5' DC 23 H5' C 23 -1.379 -11.903 6.388 969 H5'' DC 23 H5'' C 23 -0.587 -12.718 7.749 970 H4' DC 23 H4' C 23 0.316 -13.818 5.963 971 H3' DC 23 H3' C 23 2.154 -12.491 7.333 972 H2' DC 23 H2' C 23 2.098 -10.404 6.178 973 H2'' DC 23 H2'' C 23 3.391 -11.210 5.303 974 H1' DC 23 H1' C 23 2.008 -11.808 3.493 975 H41 DC 23 H41 C 23 -0.277 -5.669 2.944 976 H42 DC 23 H42 C 23 -0.149 -6.306 1.331 977 H5 DC 23 H5 C 23 0.085 -7.008 4.934 978 H6 DC 23 H6 C 23 0.629 -9.216 5.775 979 H5' DC 24 H5' C 24 3.370 -14.568 3.325 980 H5'' DC 24 H5'' C 24 4.518 -15.717 4.036 981 H4' DC 24 H4' C 24 5.052 -15.712 1.782 982 H3' DC 24 H3' C 24 7.064 -15.029 3.365 983 H2' DC 24 H2' C 24 6.726 -12.664 3.453 984 H2'' DC 24 H2'' C 24 7.879 -12.774 2.131 985 H1' DC 24 H1' C 24 6.214 -12.549 0.463 986 H41 DC 24 H41 C 24 3.738 -7.269 3.517 987 H42 DC 24 H42 C 24 3.498 -7.045 1.795 988 H5 DC 24 H5 C 24 4.561 -9.360 4.457 989 H6 DC 24 H6 C 24 5.393 -11.586 3.916 990 H5' DA 25 H5' A 25 7.441 -14.381 -1.074 991 H5'' DA 25 H5'' A 25 8.621 -15.643 -1.468 992 H4' DA 25 H4' A 25 8.621 -14.279 -3.340 993 H3' DA 25 H3' A 25 10.995 -14.505 -2.185 994 H2' DA 25 H2' A 25 10.869 -12.674 -0.646 995 H2'' DA 25 H2'' A 25 11.686 -11.917 -2.004 996 H1' DA 25 H1' A 25 9.704 -10.882 -2.802 997 H8 DA 25 H8 A 25 9.408 -11.983 0.912 998 H61 DA 25 H61 A 25 7.812 -7.679 2.573 999 H62 DA 25 H62 A 25 7.377 -6.179 1.784 1000 H2 DA 25 H2 A 25 7.915 -6.845 -2.620 1001 H5' DC 26 H5' C 26 10.302 -11.461 -5.523 1002 H5'' DC 26 H5'' C 26 11.374 -12.139 -6.760 1003 H4' DC 26 H4' C 26 10.947 -9.991 -7.515 1004 H3' DC 26 H3' C 26 13.523 -10.492 -7.127 1005 H2' DC 26 H2' C 26 13.732 -9.809 -4.843 1006 H2'' DC 26 H2'' C 26 14.188 -8.320 -5.661 1007 H1' DC 26 H1' C 26 12.072 -7.323 -5.368 1008 H41 DC 26 H41 C 26 11.902 -8.833 1.064 1009 H42 DC 26 H42 C 26 11.295 -7.208 0.884 1010 H5 DC 26 H5 C 26 12.528 -10.227 -0.832 1011 H6 DC 26 H6 C 26 12.653 -10.341 -3.271 1012 H5' DA 27 H5' A 27 12.283 -6.061 -8.218 1013 H5'' DA 27 H5'' A 27 13.199 -5.914 -9.728 1014 H4' DA 27 H4' A 27 12.789 -3.721 -9.061 1015 H3' DA 27 H3' A 27 15.350 -4.286 -9.419 1016 H2' DA 27 H2' A 27 15.901 -5.044 -7.209 1017 H2'' DA 27 H2'' A 27 16.363 -3.353 -7.104 1018 H1' DA 27 H1' A 27 14.377 -2.736 -5.963 1019 H8 DA 27 H8 A 27 15.104 -6.536 -5.849 1020 H61 DA 27 H61 A 27 14.396 -7.101 -1.072 1021 H62 DA 27 H62 A 27 13.877 -6.019 0.202 1022 H2 DA 27 H2 A 27 13.125 -2.034 -1.722 1023 H5' DC 28 H5' C 28 14.209 -0.380 -7.427 1024 H5'' DC 28 H5'' C 28 14.821 0.888 -8.508 1025 H4' DC 28 H4' C 28 14.550 1.964 -6.466 1026 H3' DC 28 H3' C 28 17.009 2.074 -7.443 1027 H2' DC 28 H2' C 28 17.904 0.075 -6.467 1028 H2'' DC 28 H2'' C 28 18.415 1.275 -5.295 1029 H1' DC 28 H1' C 28 16.640 0.762 -3.793 1030 H41 DC 28 H41 C 28 17.835 -5.721 -4.115 1031 H42 DC 28 H42 C 28 17.371 -5.362 -2.467 1032 H5 DC 28 H5 C 28 17.832 -4.063 -5.888 1033 H6 DC 28 H6 C 28 17.392 -1.721 -6.422 1034 H5' DA 29 H5' A 29 16.341 3.662 -3.032 1035 H5'' DA 29 H5'' A 29 16.893 5.329 -3.276 1036 H4' DA 29 H4' A 29 17.089 5.005 -0.990 1037 H3' DA 29 H3' A 29 19.362 5.666 -2.176 1038 H2' DA 29 H2' A 29 20.180 3.476 -2.723 1039 H2'' DA 29 H2'' A 29 20.986 3.758 -1.188 1040 H1' DA 29 H1' A 29 19.426 2.450 0.032 1041 H8 DA 29 H8 A 29 19.276 1.721 -3.770 1042 H61 DA 29 H61 A 29 19.779 -3.106 -3.425 1043 H62 DA 29 H62 A 29 19.860 -4.211 -2.077 1044 H2 DA 29 H2 A 29 19.491 -1.707 1.646 1045 H5' DA 30 H5' A 30 19.423 4.278 2.205 1046 H5'' DA 30 H5'' A 30 19.993 5.762 2.989 1047 H4' DA 30 H4' A 30 20.350 4.115 4.575 1048 H3' DA 30 H3' A 30 22.552 5.420 3.904 1049 H2' DA 30 H2' A 30 23.294 4.050 2.085 1050 H2'' DA 30 H2'' A 30 24.196 3.342 3.416 1051 H1' DA 30 H1' A 30 22.696 1.518 3.649 1052 H8 DA 30 H8 A 30 22.040 3.283 0.244 1053 H61 DA 30 H61 A 30 22.571 -0.679 -2.517 1054 H62 DA 30 H62 A 30 22.875 -2.366 -2.172 1055 H2 DA 30 H2 A 30 23.177 -2.682 2.313 1056 H5' DG 31 H5' G 31 22.961 1.608 6.453 1057 H5'' DG 31 H5'' G 31 23.509 2.330 7.978 1058 H4' DG 31 H4' G 31 24.105 0.091 8.163 1059 H3' DG 31 H3' G 31 26.135 1.775 8.404 1060 H2' DG 31 H2' G 31 26.792 1.937 6.098 1061 H2'' DG 31 H2'' G 31 27.866 0.664 6.664 1062 H1' DG 31 H1' G 31 26.529 -1.071 5.755 1063 H8 DG 31 H8 G 31 25.743 2.396 4.238 1064 H1 DG 31 H1 G 31 26.409 -2.445 0.089 1065 H21 DG 31 H21 G 31 26.719 -4.414 2.936 1066 H22 DG 31 H22 G 31 26.703 -4.375 1.194 1067 H5' DC 32 H5' C 32 27.275 -2.711 7.874 1068 H5'' DC 32 H5'' C 32 27.960 -3.008 9.484 1069 H4' DC 32 H4' C 32 28.864 -4.693 8.170 1070 H3' DC 32 H3' C 32 30.671 -3.148 9.334 1071 HO3' DC 32 H3T C 32 31.518 -4.867 7.263 1072 H2' DC 32 H2' C 32 30.913 -1.470 7.637 1073 H2'' DC 32 H2'' C 32 32.220 -2.561 7.199 1074 H1' DC 32 H1' C 32 30.979 -3.584 5.457 1075 H41 DC 32 H41 C 32 28.956 2.186 2.953 1076 H42 DC 32 H42 C 32 29.100 1.086 1.611 1077 H5 DC 32 H5 C 32 29.330 1.534 5.259 1078 H6 DC 32 H6 C 32 29.854 -0.334 6.741 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 -6.256 -1.267 -0.584 2 H2 MET 1 HT2 MET 1 -7.035 -0.856 -2.032 3 H3 MET 1 HT3 MET 1 -5.410 -0.439 -1.795 4 HA MET 1 HA MET 1 -4.687 -2.641 -1.920 5 HB2 MET 1 HB2 MET 1 -6.206 -4.534 -2.116 6 HB3 MET 1 HB1 MET 1 -6.526 -3.650 -0.632 7 HG2 MET 1 HG2 MET 1 -8.602 -3.085 -1.264 8 HG3 MET 1 HG1 MET 1 -8.134 -2.820 -2.941 9 HE1 MET 1 HE1 MET 1 -8.919 -5.706 -0.260 10 HE2 MET 1 HE2 MET 1 -7.317 -6.017 -0.924 11 HE3 MET 1 HE3 MET 1 -8.655 -7.100 -1.305 12 H VAL 2 HN VAL 2 -5.493 -4.335 -3.916 13 HA VAL 2 HA VAL 2 -5.051 -2.691 -6.195 14 HB VAL 2 HB VAL 2 -5.569 -5.014 -7.369 15 HG11 VAL 2 HG11 VAL 2 -3.057 -4.710 -5.760 16 HG12 VAL 2 HG12 VAL 2 -3.429 -3.635 -7.103 17 HG13 VAL 2 HG13 VAL 2 -3.258 -5.363 -7.386 18 HG21 VAL 2 HG21 VAL 2 -4.657 -5.907 -4.640 19 HG22 VAL 2 HG22 VAL 2 -5.145 -6.905 -6.009 20 HG23 VAL 2 HG23 VAL 2 -6.347 -5.956 -5.140 21 H GLN 3 HN GLN 3 -7.820 -4.699 -5.149 22 HA GLN 3 HA GLN 3 -9.478 -4.279 -7.329 23 HB2 GLN 3 HB2 GLN 3 -10.168 -4.603 -4.405 24 HB3 GLN 3 HB1 GLN 3 -11.380 -4.582 -5.679 25 HG2 GLN 3 HG2 GLN 3 -10.677 -6.615 -6.554 26 HG3 GLN 3 HG1 GLN 3 -9.094 -6.510 -5.786 27 HE21 GLN 3 HE21 GLN 3 -12.155 -5.893 -4.170 28 HE22 GLN 3 HE22 GLN 3 -12.074 -7.244 -3.090 29 H SER 4 HN SER 4 -8.712 -2.173 -4.676 30 HA SER 4 HA SER 4 -9.437 0.175 -6.001 31 HB2 SER 4 HB2 SER 4 -11.571 0.663 -5.290 32 HB3 SER 4 HB1 SER 4 -11.665 -1.064 -5.118 33 HG SER 4 HG SER 4 -10.742 0.537 -2.994 34 H CYS 5 HN CYS 5 -8.913 2.037 -4.699 35 HA CYS 5 HA CYS 5 -6.891 1.464 -2.759 36 HB2 CYS 5 HB2 CYS 5 -8.029 4.201 -3.256 37 HB3 CYS 5 HB1 CYS 5 -6.374 3.752 -2.853 38 H SER 6 HN SER 6 -6.904 2.810 -0.663 39 HA SER 6 HA SER 6 -9.117 1.954 0.900 40 HB2 SER 6 HB2 SER 6 -7.092 3.897 1.937 41 HB3 SER 6 HB1 SER 6 -7.800 2.478 2.720 42 HG SER 6 HG SER 6 -6.013 1.537 2.133 43 H ALA 7 HN ALA 7 -9.069 4.392 -1.175 44 HA ALA 7 HA ALA 7 -10.136 6.541 0.393 45 HB1 ALA 7 HB1 ALA 7 -8.888 6.927 -1.690 46 HB2 ALA 7 HB2 ALA 7 -10.500 7.638 -1.744 47 HB3 ALA 7 HB3 ALA 7 -10.174 6.132 -2.599 48 H TYR 8 HN TYR 8 -12.261 7.426 -1.121 49 HA TYR 8 HA TYR 8 -14.287 5.452 -0.363 50 HB2 TYR 8 HB2 TYR 8 -14.385 7.570 0.851 51 HB3 TYR 8 HB1 TYR 8 -14.493 8.453 -0.662 52 HD1 TYR 8 HD1 TYR 8 -16.370 5.345 -0.389 53 HD2 TYR 8 HD2 TYR 8 -16.505 9.553 0.225 54 HE1 TYR 8 HE1 TYR 8 -18.821 5.241 -0.270 55 HE2 TYR 8 HE2 TYR 8 -18.960 9.461 0.335 56 HH TYR 8 HH TYR 8 -20.676 6.479 0.557 57 H GLY 9 HN GLY 9 -14.107 4.296 -2.361 58 HA2 GLY 9 HA2 GLY 9 -15.503 3.819 -4.229 59 HA3 GLY 9 HA1 GLY 9 -15.775 5.540 -4.424 60 H CYS 10 HN CYS 10 -12.496 4.837 -3.936 61 HA CYS 10 HA CYS 10 -11.959 5.505 -6.682 62 HB2 CYS 10 HB2 CYS 10 -10.572 6.513 -4.945 63 HB3 CYS 10 HB1 CYS 10 -10.001 4.921 -4.452 64 H LYS 11 HN LYS 11 -12.984 3.526 -7.502 65 HA LYS 11 HA LYS 11 -11.541 1.038 -7.207 66 HB2 LYS 11 HB2 LYS 11 -14.112 1.636 -7.819 67 HB3 LYS 11 HB1 LYS 11 -13.467 1.337 -9.426 68 HG2 LYS 11 HG2 LYS 11 -12.717 -0.864 -8.739 69 HG3 LYS 11 HG1 LYS 11 -13.310 -0.573 -7.102 70 HD2 LYS 11 HD2 LYS 11 -15.597 -0.246 -8.092 71 HD3 LYS 11 HD1 LYS 11 -14.938 -0.794 -9.633 72 HE2 LYS 11 HE2 LYS 11 -14.433 -2.940 -8.747 73 HE3 LYS 11 HE1 LYS 11 -14.765 -2.407 -7.100 74 HZ1 LYS 11 HZ1 LYS 11 -16.556 -3.448 -9.038 75 HZ2 LYS 11 HZ2 LYS 11 -17.073 -1.916 -8.536 76 HZ3 LYS 11 HZ3 LYS 11 -16.820 -3.140 -7.395 77 H ASN 12 HN ASN 12 -9.914 3.067 -8.069 78 HA ASN 12 HA ASN 12 -9.549 2.906 -10.940 79 HB2 ASN 12 HB2 ASN 12 -8.013 4.298 -8.785 80 HB3 ASN 12 HB1 ASN 12 -7.564 4.375 -10.480 81 HD21 ASN 12 HD21 ASN 12 -8.104 6.699 -9.136 82 HD22 ASN 12 HD22 ASN 12 -9.592 7.365 -9.706 83 H ARG 13 HN ARG 13 -9.336 0.470 -9.920 84 HA ARG 13 HA ARG 13 -7.108 -0.769 -9.097 85 HB2 ARG 13 HB2 ARG 13 -9.310 -1.634 -10.364 86 HB3 ARG 13 HB1 ARG 13 -8.185 -1.784 -11.697 87 HG2 ARG 13 HG2 ARG 13 -8.093 -3.196 -9.042 88 HG3 ARG 13 HG1 ARG 13 -8.366 -3.903 -10.633 89 HD2 ARG 13 HD2 ARG 13 -6.043 -3.139 -11.249 90 HD3 ARG 13 HD1 ARG 13 -5.820 -2.707 -9.559 91 HE ARG 13 HE ARG 13 -6.663 -5.340 -9.579 92 HH11 ARG 13 HH11 ARG 13 -3.959 -3.562 -10.903 93 HH12 ARG 13 HH12 ARG 13 -2.818 -4.849 -10.669 94 HH21 ARG 13 HH21 ARG 13 -5.167 -7.059 -9.271 95 HH22 ARG 13 HH22 ARG 13 -3.518 -6.842 -9.753 96 H TYR 14 HN TYR 14 -5.001 -0.951 -9.744 97 HA TYR 14 HA TYR 14 -3.513 0.681 -11.163 98 HB2 TYR 14 HB2 TYR 14 -3.047 -1.837 -10.205 99 HB3 TYR 14 HB1 TYR 14 -2.797 -2.057 -11.930 100 HD1 TYR 14 HD1 TYR 14 -1.323 0.162 -12.935 101 HD2 TYR 14 HD2 TYR 14 -1.104 -1.571 -9.039 102 HE1 TYR 14 HE1 TYR 14 0.954 1.042 -12.662 103 HE2 TYR 14 HE2 TYR 14 1.173 -0.697 -8.781 104 HH TYR 14 HH TYR 14 2.998 0.084 -10.025 105 H ASP 15 HN ASP 15 -3.995 1.654 -12.980 106 HA ASP 15 HA ASP 15 -4.331 0.018 -15.394 107 HB2 ASP 15 HB2 ASP 15 -6.505 0.991 -14.975 108 HB3 ASP 15 HB1 ASP 15 -5.788 2.577 -14.711 109 H LYS 16 HN LYS 16 -2.551 0.170 -16.333 110 HA LYS 16 HA LYS 16 -0.578 2.062 -16.056 111 HB2 LYS 16 HB2 LYS 16 0.493 0.906 -17.805 112 HB3 LYS 16 HB1 LYS 16 -0.509 -0.280 -16.988 113 HG2 LYS 16 HG2 LYS 16 -1.739 1.122 -19.288 114 HG3 LYS 16 HG1 LYS 16 -0.467 -0.054 -19.637 115 HD2 LYS 16 HD2 LYS 16 -1.659 -1.813 -18.603 116 HD3 LYS 16 HD1 LYS 16 -2.772 -0.694 -17.818 117 HE2 LYS 16 HE2 LYS 16 -2.698 -0.612 -20.766 118 HE3 LYS 16 HE1 LYS 16 -3.361 -2.079 -20.050 119 HZ1 LYS 16 HZ1 LYS 16 -4.557 0.471 -20.313 120 HZ2 LYS 16 HZ2 LYS 16 -4.499 0.046 -18.671 121 HZ3 LYS 16 HZ3 LYS 16 -5.251 -0.982 -19.785 122 H ASP 17 HN ASP 17 -3.426 2.165 -18.041 123 HA ASP 17 HA ASP 17 -2.487 4.080 -19.918 124 HB2 ASP 17 HB2 ASP 17 -5.091 2.890 -19.191 125 HB3 ASP 17 HB1 ASP 17 -5.163 4.482 -19.938 126 H LYS 18 HN LYS 18 -3.915 4.203 -16.770 127 HA LYS 18 HA LYS 18 -4.195 7.103 -16.848 128 HB2 LYS 18 HB2 LYS 18 -5.714 6.867 -15.195 129 HB3 LYS 18 HB1 LYS 18 -5.702 5.170 -15.648 130 HG2 LYS 18 HG2 LYS 18 -3.831 4.932 -13.903 131 HG3 LYS 18 HG1 LYS 18 -4.377 6.504 -13.321 132 HD2 LYS 18 HD2 LYS 18 -5.819 3.881 -13.328 133 HD3 LYS 18 HD1 LYS 18 -5.565 5.002 -11.997 134 HE2 LYS 18 HE2 LYS 18 -7.701 5.587 -12.383 135 HE3 LYS 18 HE1 LYS 18 -7.022 6.531 -13.705 136 HZ1 LYS 18 HZ1 LYS 18 -8.107 3.776 -13.926 137 HZ2 LYS 18 HZ2 LYS 18 -7.448 4.671 -15.196 138 HZ3 LYS 18 HZ3 LYS 18 -8.877 5.186 -14.453 139 HA PRO 19 HA PRO 19 -0.258 7.587 -14.937 140 HB2 PRO 19 HB2 PRO 19 -0.369 10.169 -14.202 141 HB3 PRO 19 HB1 PRO 19 -0.370 9.684 -15.908 142 HG2 PRO 19 HG2 PRO 19 -2.616 10.604 -14.210 143 HG3 PRO 19 HG1 PRO 19 -2.302 10.894 -15.931 144 HD2 PRO 19 HD2 PRO 19 -4.059 8.988 -14.903 145 HD3 PRO 19 HD1 PRO 19 -3.419 9.026 -16.556 146 H VAL 20 HN VAL 20 -0.942 6.049 -13.141 147 HA VAL 20 HA VAL 20 -0.549 7.442 -10.619 148 HB VAL 20 HB VAL 20 -2.277 6.478 -9.371 149 HG11 VAL 20 HG11 VAL 20 -3.228 8.316 -10.410 150 HG12 VAL 20 HG12 VAL 20 -4.409 7.028 -10.653 151 HG13 VAL 20 HG13 VAL 20 -3.336 7.502 -11.969 152 HG21 VAL 20 HG21 VAL 20 -3.952 4.885 -10.450 153 HG22 VAL 20 HG22 VAL 20 -2.367 4.253 -10.006 154 HG23 VAL 20 HG23 VAL 20 -2.720 4.646 -11.694 155 H SER 21 HN SER 21 0.319 6.177 -8.995 156 HA SER 21 HA SER 21 1.290 3.522 -9.827 157 HB2 SER 21 HB2 SER 21 3.296 4.066 -8.346 158 HB3 SER 21 HB1 SER 21 3.199 4.970 -9.856 159 HG SER 21 HG SER 21 3.502 6.568 -8.472 160 H PHE 22 HN PHE 22 1.761 2.096 -7.884 161 HA PHE 22 HA PHE 22 -0.157 2.762 -5.770 162 HB2 PHE 22 HB2 PHE 22 0.404 0.264 -7.215 163 HB3 PHE 22 HB1 PHE 22 0.256 0.067 -5.476 164 HD1 PHE 22 HD2 PHE 22 -1.865 0.514 -4.350 165 HD2 PHE 22 HD1 PHE 22 -1.509 0.907 -8.574 166 HE1 PHE 22 HE2 PHE 22 -4.318 0.531 -4.554 167 HE2 PHE 22 HE1 PHE 22 -3.970 0.918 -8.778 168 HZ PHE 22 HZ PHE 22 -5.366 0.736 -6.765 169 H HIS 23 HN HIS 23 0.337 1.931 -3.638 170 HA HIS 23 HA HIS 23 3.113 1.441 -2.881 171 HB2 HIS 23 HB2 HIS 23 2.020 3.584 -1.242 172 HB3 HIS 23 HB1 HIS 23 3.604 3.467 -1.981 173 HD1 HIS 23 HD1 HIS 23 0.113 4.496 -2.791 174 HD2 HIS 23 HD2 HIS 23 3.978 5.139 -4.135 175 HE1 HIS 23 HE1 HIS 23 -0.105 6.251 -4.530 176 HE2 HIS 23 HE2 HIS 23 2.224 6.447 -5.521 177 H LYS 24 HN LYS 24 3.129 1.393 -0.331 178 HA LYS 24 HA LYS 24 0.568 0.172 0.464 179 HB2 LYS 24 HB2 LYS 24 3.341 -0.622 0.853 180 HB3 LYS 24 HB1 LYS 24 2.478 -0.526 2.385 181 HG2 LYS 24 HG2 LYS 24 0.975 -2.174 1.797 182 HG3 LYS 24 HG1 LYS 24 1.247 -1.948 0.069 183 HD2 LYS 24 HD2 LYS 24 2.246 -4.017 0.738 184 HD3 LYS 24 HD1 LYS 24 3.540 -2.872 0.378 185 HE2 LYS 24 HE2 LYS 24 3.489 -2.363 2.906 186 HE3 LYS 24 HE1 LYS 24 2.592 -3.874 3.046 187 HZ1 LYS 24 HZ1 LYS 24 4.605 -4.700 1.571 188 HZ2 LYS 24 HZ2 LYS 24 4.678 -4.670 3.264 189 HZ3 LYS 24 HZ3 LYS 24 5.388 -3.425 2.368 190 H PHE 25 HN PHE 25 0.119 0.516 2.946 191 HA PHE 25 HA PHE 25 -0.041 3.258 3.525 192 HB2 PHE 25 HB2 PHE 25 -0.513 0.762 5.022 193 HB3 PHE 25 HB1 PHE 25 -0.054 2.126 6.021 194 HD1 PHE 25 HD2 PHE 25 -2.454 1.282 3.306 195 HD2 PHE 25 HD1 PHE 25 -1.704 3.525 6.824 196 HE1 PHE 25 HE2 PHE 25 -4.776 2.102 3.271 197 HE2 PHE 25 HE1 PHE 25 -4.029 4.324 6.820 198 HZ PHE 25 HZ PHE 25 -5.568 3.617 5.041 199 HA PRO 26 HA PRO 26 3.926 4.323 5.247 200 HB2 PRO 26 HB2 PRO 26 3.184 6.074 7.195 201 HB3 PRO 26 HB1 PRO 26 3.098 6.489 5.472 202 HG2 PRO 26 HG2 PRO 26 0.936 5.534 7.283 203 HG3 PRO 26 HG1 PRO 26 0.914 6.884 6.128 204 HD2 PRO 26 HD2 PRO 26 -0.169 4.529 5.512 205 HD3 PRO 26 HD1 PRO 26 0.705 5.486 4.305 206 H LEU 27 HN LEU 27 3.900 2.007 6.069 207 HA LEU 27 HA LEU 27 3.011 1.451 8.703 208 HB2 LEU 27 HB2 LEU 27 4.789 0.078 6.727 209 HB3 LEU 27 HB1 LEU 27 4.642 -0.541 8.362 210 HG LEU 27 HG LEU 27 2.404 -0.206 6.349 211 HD11 LEU 27 HD11 LEU 27 3.664 -2.663 7.583 212 HD12 LEU 27 HD12 LEU 27 3.815 -2.134 5.906 213 HD13 LEU 27 HD13 LEU 27 2.249 -2.654 6.528 214 HD21 LEU 27 HD21 LEU 27 2.397 -0.803 9.281 215 HD22 LEU 27 HD22 LEU 27 1.154 -1.483 8.227 216 HD23 LEU 27 HD23 LEU 27 1.348 0.268 8.346 217 H THR 28 HN THR 28 5.813 2.873 7.378 218 HA THR 28 HA THR 28 7.286 2.576 9.847 219 HB THR 28 HB THR 28 9.166 3.514 8.616 220 HG1 THR 28 HG1 THR 28 8.270 3.660 6.142 221 HG21 THR 28 HG21 THR 28 9.270 1.835 6.770 222 HG22 THR 28 HG22 THR 28 7.564 1.469 7.074 223 HG23 THR 28 HG23 THR 28 8.779 1.151 8.320 224 H ARG 29 HN ARG 29 4.854 4.398 9.055 225 HA ARG 29 HA ARG 29 5.688 6.722 10.630 226 HB2 ARG 29 HB2 ARG 29 4.884 6.693 7.782 227 HB3 ARG 29 HB1 ARG 29 3.970 7.819 8.761 228 HG2 ARG 29 HG2 ARG 29 6.947 7.827 8.870 229 HG3 ARG 29 HG1 ARG 29 6.096 8.588 7.523 230 HD2 ARG 29 HD2 ARG 29 5.581 10.358 8.750 231 HD3 ARG 29 HD1 ARG 29 4.897 9.342 10.019 232 HE ARG 29 HE ARG 29 6.915 9.391 11.143 233 HH11 ARG 29 HH11 ARG 29 7.186 11.076 8.084 234 HH12 ARG 29 HH12 ARG 29 8.661 11.883 8.508 235 HH21 ARG 29 HH21 ARG 29 8.888 10.408 11.693 236 HH22 ARG 29 HH22 ARG 29 9.637 11.488 10.556 237 HA PRO 30 HA PRO 30 1.732 4.234 11.600 238 HB2 PRO 30 HB2 PRO 30 2.195 4.669 14.320 239 HB3 PRO 30 HB1 PRO 30 2.477 3.176 13.411 240 HG2 PRO 30 HG2 PRO 30 4.402 5.285 14.213 241 HG3 PRO 30 HG1 PRO 30 4.650 3.543 14.016 242 HD2 PRO 30 HD2 PRO 30 5.558 5.281 12.222 243 HD3 PRO 30 HD1 PRO 30 4.914 3.695 11.743 244 H SER 31 HN SER 31 2.695 6.991 13.752 245 HA SER 31 HA SER 31 0.092 7.745 14.376 246 HB2 SER 31 HB2 SER 31 2.416 9.664 14.016 247 HB3 SER 31 HB1 SER 31 0.993 9.892 15.036 248 HG SER 31 HG SER 31 1.841 7.716 15.941 249 H LEU 32 HN LEU 32 2.127 8.757 11.702 250 HA LEU 32 HA LEU 32 0.241 10.478 10.494 251 HB2 LEU 32 HB2 LEU 32 2.626 10.635 10.048 252 HB3 LEU 32 HB1 LEU 32 2.657 9.002 9.437 253 HG LEU 32 HG LEU 32 2.752 11.017 7.804 254 HD11 LEU 32 HD11 LEU 32 1.699 9.690 6.075 255 HD12 LEU 32 HD12 LEU 32 0.939 8.682 7.310 256 HD13 LEU 32 HD13 LEU 32 2.696 8.696 7.141 257 HD21 LEU 32 HD21 LEU 32 -0.173 10.829 8.440 258 HD22 LEU 32 HD22 LEU 32 0.457 11.542 6.948 259 HD23 LEU 32 HD23 LEU 32 0.878 12.254 8.508 260 H CYS 33 HN CYS 33 0.921 7.048 10.335 261 HA CYS 33 HA CYS 33 -0.569 6.352 8.034 262 HB2 CYS 33 HB2 CYS 33 1.060 4.892 9.269 263 HB3 CYS 33 HB1 CYS 33 -0.102 4.788 10.599 264 HG CYS 33 HG CYS 33 0.225 2.789 8.106 265 H LYS 34 HN LYS 34 -1.280 6.901 11.345 266 HA LYS 34 HA LYS 34 -3.872 5.800 11.430 267 HB2 LYS 34 HB2 LYS 34 -2.814 5.897 13.445 268 HB3 LYS 34 HB1 LYS 34 -2.129 7.481 13.135 269 HG2 LYS 34 HG2 LYS 34 -4.781 8.058 13.226 270 HG3 LYS 34 HG1 LYS 34 -4.640 6.757 14.422 271 HD2 LYS 34 HD2 LYS 34 -2.421 8.266 14.948 272 HD3 LYS 34 HD1 LYS 34 -3.609 9.495 14.489 273 HE2 LYS 34 HE2 LYS 34 -3.738 9.168 16.867 274 HE3 LYS 34 HE1 LYS 34 -5.191 8.495 16.129 275 HZ1 LYS 34 HZ1 LYS 34 -2.812 6.913 16.946 276 HZ2 LYS 34 HZ2 LYS 34 -4.254 6.292 16.320 277 HZ3 LYS 34 HZ3 LYS 34 -4.245 7.040 17.837 278 H GLU 35 HN GLU 35 -2.704 9.055 10.508 279 HA GLU 35 HA GLU 35 -5.373 10.116 10.868 280 HB2 GLU 35 HB2 GLU 35 -4.412 11.925 9.196 281 HB3 GLU 35 HB1 GLU 35 -4.087 11.960 10.913 282 HG2 GLU 35 HG2 GLU 35 -2.000 10.551 10.272 283 HG3 GLU 35 HG1 GLU 35 -2.291 11.235 8.675 284 H TRP 36 HN TRP 36 -3.759 8.266 8.488 285 HA TRP 36 HA TRP 36 -5.272 9.084 6.252 286 HB2 TRP 36 HB2 TRP 36 -4.000 6.407 6.880 287 HB3 TRP 36 HB1 TRP 36 -4.749 6.802 5.334 288 HD1 TRP 36 HD1 TRP 36 -2.607 9.369 7.185 289 HE1 TRP 36 HE1 TRP 36 -0.500 9.847 5.802 290 HE3 TRP 36 HE3 TRP 36 -3.166 5.776 3.564 291 HZ2 TRP 36 HZ2 TRP 36 0.782 8.822 3.516 292 HZ3 TRP 36 HZ3 TRP 36 -1.453 5.619 1.798 293 HH2 TRP 36 HH2 TRP 36 0.488 7.107 1.788 294 H GLU 37 HN GLU 37 -5.883 7.059 9.007 295 HA GLU 37 HA GLU 37 -8.228 5.770 8.071 296 HB2 GLU 37 HB2 GLU 37 -7.783 6.599 10.932 297 HB3 GLU 37 HB1 GLU 37 -8.626 5.176 10.335 298 HG2 GLU 37 HG2 GLU 37 -5.706 5.462 9.797 299 HG3 GLU 37 HG1 GLU 37 -6.254 5.042 11.412 300 H ALA 38 HN ALA 38 -7.522 8.880 9.486 301 HA ALA 38 HA ALA 38 -10.136 9.728 10.072 302 HB1 ALA 38 HB1 ALA 38 -9.185 11.965 10.230 303 HB2 ALA 38 HB2 ALA 38 -7.702 11.399 9.461 304 HB3 ALA 38 HB3 ALA 38 -8.163 10.787 11.049 305 H ALA 39 HN ALA 39 -8.252 9.604 7.164 306 HA ALA 39 HA ALA 39 -9.953 11.431 5.707 307 HB1 ALA 39 HB1 ALA 39 -7.838 9.517 4.702 308 HB2 ALA 39 HB2 ALA 39 -7.585 11.210 5.127 309 HB3 ALA 39 HB3 ALA 39 -8.618 10.790 3.765 310 H VAL 40 HN VAL 40 -9.807 8.081 6.467 311 HA VAL 40 HA VAL 40 -11.716 7.300 4.393 312 HB VAL 40 HB VAL 40 -10.916 5.495 6.628 313 HG11 VAL 40 HG11 VAL 40 -11.335 5.044 3.684 314 HG12 VAL 40 HG12 VAL 40 -12.521 4.738 4.956 315 HG13 VAL 40 HG13 VAL 40 -11.029 3.796 4.891 316 HG21 VAL 40 HG21 VAL 40 -8.835 4.879 5.636 317 HG22 VAL 40 HG22 VAL 40 -8.819 6.633 5.833 318 HG23 VAL 40 HG23 VAL 40 -9.125 5.923 4.247 319 H ARG 41 HN ARG 41 -12.705 9.194 5.851 320 HA ARG 41 HA ARG 41 -14.089 8.638 8.216 321 HB2 ARG 41 HB2 ARG 41 -15.108 10.737 7.959 322 HB3 ARG 41 HB1 ARG 41 -13.534 10.900 7.204 323 HG2 ARG 41 HG2 ARG 41 -16.014 10.293 5.613 324 HG3 ARG 41 HG1 ARG 41 -15.522 11.940 6.006 325 HD2 ARG 41 HD2 ARG 41 -13.211 11.043 5.020 326 HD3 ARG 41 HD1 ARG 41 -14.309 9.976 4.143 327 HE ARG 41 HE ARG 41 -15.459 12.288 3.642 328 HH11 ARG 41 HH11 ARG 41 -12.049 11.468 3.594 329 HH12 ARG 41 HH12 ARG 41 -11.637 12.720 2.468 330 HH21 ARG 41 HH21 ARG 41 -14.930 13.925 2.164 331 HH22 ARG 41 HH22 ARG 41 -13.289 14.123 1.639 332 H ARG 42 HN ARG 42 -14.660 6.792 5.756 333 HA ARG 42 HA ARG 42 -17.576 7.085 5.826 334 HB2 ARG 42 HB2 ARG 42 -15.768 6.572 3.691 335 HB3 ARG 42 HB1 ARG 42 -16.821 5.173 3.875 336 HG2 ARG 42 HG2 ARG 42 -17.735 6.792 2.301 337 HG3 ARG 42 HG1 ARG 42 -18.775 6.610 3.717 338 HD2 ARG 42 HD2 ARG 42 -17.312 8.627 4.595 339 HD3 ARG 42 HD1 ARG 42 -17.087 8.901 2.870 340 HE ARG 42 HE ARG 42 -19.513 9.084 2.686 341 HH11 ARG 42 HH11 ARG 42 -18.134 9.341 5.910 342 HH12 ARG 42 HH12 ARG 42 -19.481 10.232 6.540 343 HH21 ARG 42 HH21 ARG 42 -21.268 10.258 3.528 344 HH22 ARG 42 HH22 ARG 42 -21.253 10.757 5.191 345 H LYS 43 HN LYS 43 -18.903 5.328 6.190 346 HA LYS 43 HA LYS 43 -18.211 3.567 8.204 347 HB2 LYS 43 HB2 LYS 43 -20.462 3.532 8.126 348 HB3 LYS 43 HB1 LYS 43 -20.485 3.988 6.430 349 HG2 LYS 43 HG2 LYS 43 -19.969 1.580 5.899 350 HG3 LYS 43 HG1 LYS 43 -20.281 1.225 7.595 351 HD2 LYS 43 HD2 LYS 43 -22.539 2.131 7.374 352 HD3 LYS 43 HD1 LYS 43 -22.221 2.516 5.681 353 HE2 LYS 43 HE2 LYS 43 -21.918 0.156 5.185 354 HE3 LYS 43 HE1 LYS 43 -22.169 -0.250 6.881 355 HZ1 LYS 43 HZ1 LYS 43 -24.161 -0.609 5.577 356 HZ2 LYS 43 HZ2 LYS 43 -24.173 1.012 5.088 357 HZ3 LYS 43 HZ3 LYS 43 -24.418 0.617 6.713 358 H ASN 44 HN ASN 44 -18.198 3.095 4.717 359 HA ASN 44 HA ASN 44 -17.373 0.344 4.949 360 HB2 ASN 44 HB2 ASN 44 -17.027 0.784 2.334 361 HB3 ASN 44 HB1 ASN 44 -18.613 0.477 3.027 362 HD21 ASN 44 HD21 ASN 44 -19.719 1.563 1.443 363 HD22 ASN 44 HD22 ASN 44 -19.671 3.283 1.277 364 H PHE 45 HN PHE 45 -15.561 1.249 6.350 365 HA PHE 45 HA PHE 45 -13.318 2.482 5.157 366 HB2 PHE 45 HB2 PHE 45 -13.766 2.258 7.656 367 HB3 PHE 45 HB1 PHE 45 -13.277 0.574 7.524 368 HD1 PHE 45 HD1 PHE 45 -10.922 0.177 6.491 369 HD2 PHE 45 HD2 PHE 45 -12.148 3.860 8.226 370 HE1 PHE 45 HE1 PHE 45 -8.574 0.789 6.810 371 HE2 PHE 45 HE2 PHE 45 -9.807 4.496 8.542 372 HZ PHE 45 HZ PHE 45 -8.006 2.966 7.837 373 H LYS 46 HN LYS 46 -12.154 1.710 3.592 374 HA LYS 46 HA LYS 46 -12.258 -0.940 2.646 375 HB2 LYS 46 HB2 LYS 46 -11.187 1.588 1.850 376 HB3 LYS 46 HB1 LYS 46 -9.977 0.337 1.598 377 HG2 LYS 46 HG2 LYS 46 -11.037 -0.385 -0.204 378 HG3 LYS 46 HG1 LYS 46 -12.510 -0.627 0.725 379 HD2 LYS 46 HD2 LYS 46 -12.604 2.041 0.432 380 HD3 LYS 46 HD1 LYS 46 -11.735 1.609 -1.043 381 HE2 LYS 46 HE2 LYS 46 -14.444 0.661 -0.142 382 HE3 LYS 46 HE1 LYS 46 -14.056 1.620 -1.567 383 HZ1 LYS 46 HZ1 LYS 46 -13.327 -1.221 -1.098 384 HZ2 LYS 46 HZ2 LYS 46 -12.826 -0.317 -2.437 385 HZ3 LYS 46 HZ3 LYS 46 -14.471 -0.643 -2.200 386 HA PRO 47 HA PRO 47 -9.037 -3.300 4.424 387 HB2 PRO 47 HB2 PRO 47 -7.116 -2.855 2.198 388 HB3 PRO 47 HB1 PRO 47 -7.669 -4.369 2.936 389 HG2 PRO 47 HG2 PRO 47 -8.598 -3.628 0.575 390 HG3 PRO 47 HG1 PRO 47 -9.664 -4.386 1.774 391 HD2 PRO 47 HD2 PRO 47 -9.459 -1.517 0.984 392 HD3 PRO 47 HD1 PRO 47 -10.896 -2.451 1.416 393 H THR 48 HN THR 48 -7.005 -3.358 5.413 394 HA THR 48 HA THR 48 -6.415 -0.831 6.595 395 HB THR 48 HB THR 48 -5.194 -2.089 8.208 396 HG1 THR 48 HG1 THR 48 -4.692 -4.304 7.821 397 HG21 THR 48 HG21 THR 48 -6.863 -3.500 8.990 398 HG22 THR 48 HG22 THR 48 -7.314 -4.001 7.356 399 HG23 THR 48 HG23 THR 48 -7.741 -2.389 7.937 400 H LYS 49 HN LYS 49 -3.967 -0.931 7.385 401 HA LYS 49 HA LYS 49 -2.486 0.240 5.371 402 HB2 LYS 49 HB2 LYS 49 -0.553 -0.277 7.104 403 HB3 LYS 49 HB1 LYS 49 -1.780 0.938 7.415 404 HG2 LYS 49 HG2 LYS 49 -2.678 -1.614 8.364 405 HG3 LYS 49 HG1 LYS 49 -1.085 -1.241 9.023 406 HD2 LYS 49 HD2 LYS 49 -2.391 -0.183 10.578 407 HD3 LYS 49 HD1 LYS 49 -2.202 1.131 9.418 408 HE2 LYS 49 HE2 LYS 49 -4.346 0.504 8.396 409 HE3 LYS 49 HE1 LYS 49 -4.531 -0.769 9.598 410 HZ1 LYS 49 HZ1 LYS 49 -5.519 0.721 10.872 411 HZ2 LYS 49 HZ2 LYS 49 -5.163 1.986 9.802 412 HZ3 LYS 49 HZ3 LYS 49 -4.053 1.555 11.012 413 H TYR 50 HN TYR 50 -3.005 -3.100 5.745 414 HA TYR 50 HA TYR 50 -0.377 -3.843 4.810 415 HB2 TYR 50 HB2 TYR 50 -2.950 -5.335 5.141 416 HB3 TYR 50 HB1 TYR 50 -1.561 -6.062 4.353 417 HD1 TYR 50 HD1 TYR 50 0.640 -6.097 5.720 418 HD2 TYR 50 HD2 TYR 50 -3.212 -5.503 7.413 419 HE1 TYR 50 HE1 TYR 50 1.482 -6.918 7.876 420 HE2 TYR 50 HE2 TYR 50 -2.380 -6.319 9.589 421 HH TYR 50 HH TYR 50 -0.261 -8.082 10.163 422 H SER 51 HN SER 51 -3.506 -3.045 3.454 423 HA SER 51 HA SER 51 -2.865 -4.071 0.855 424 HB2 SER 51 HB2 SER 51 -4.858 -2.639 0.128 425 HB3 SER 51 HB1 SER 51 -5.166 -3.980 1.221 426 HG SER 51 HG SER 51 -5.140 -2.444 2.936 427 H SER 52 HN SER 52 -3.070 -2.422 -1.063 428 HA SER 52 HA SER 52 -1.046 -0.394 -0.518 429 HB2 SER 52 HB2 SER 52 -0.927 -0.758 -3.191 430 HB3 SER 52 HB1 SER 52 -0.015 -1.712 -2.022 431 HG SER 52 HG SER 52 -1.025 -3.354 -3.010 432 H ILE 53 HN ILE 53 -1.139 1.632 -1.525 433 HA ILE 53 HA ILE 53 -3.859 2.521 -2.271 434 HB ILE 53 HB ILE 53 -1.724 4.047 -0.727 435 HG12 ILE 53 HG12 ILE 53 -3.593 4.032 1.052 436 HG13 ILE 53 HG11 ILE 53 -4.294 2.718 0.120 437 HG21 ILE 53 HG21 ILE 53 -2.924 5.613 -2.056 438 HG22 ILE 53 HG22 ILE 53 -3.532 5.733 -0.396 439 HG23 ILE 53 HG23 ILE 53 -4.472 4.877 -1.619 440 HD11 ILE 53 HD11 ILE 53 -1.858 1.719 0.389 441 HD12 ILE 53 HD12 ILE 53 -3.098 1.517 1.628 442 HD13 ILE 53 HD13 ILE 53 -1.862 2.762 1.815 443 H CYS 54 HN CYS 54 -3.754 4.598 -3.717 444 HA CYS 54 HA CYS 54 -1.420 4.340 -5.472 445 HB2 CYS 54 HB2 CYS 54 -2.784 4.760 -7.372 446 HB3 CYS 54 HB1 CYS 54 -3.557 3.507 -6.428 447 H SER 55 HN SER 55 -0.849 6.198 -6.746 448 HA SER 55 HA SER 55 0.076 8.279 -5.243 449 HB2 SER 55 HB2 SER 55 0.534 9.369 -7.464 450 HB3 SER 55 HB1 SER 55 1.083 7.701 -7.304 451 HG SER 55 HG SER 55 -0.527 8.697 -9.133 452 H GLU 56 HN GLU 56 -2.624 8.651 -7.524 453 HA GLU 56 HA GLU 56 -3.168 11.285 -7.408 454 HB2 GLU 56 HB2 GLU 56 -5.662 10.469 -7.556 455 HB3 GLU 56 HB1 GLU 56 -4.516 10.129 -8.852 456 HG2 GLU 56 HG2 GLU 56 -4.529 7.928 -8.461 457 HG3 GLU 56 HG1 GLU 56 -4.576 8.133 -6.720 458 H HIS 57 HN HIS 57 -3.494 9.249 -4.668 459 HA HIS 57 HA HIS 57 -5.516 10.890 -3.413 460 HB2 HIS 57 HB2 HIS 57 -3.932 8.538 -2.402 461 HB3 HIS 57 HB1 HIS 57 -5.199 9.351 -1.482 462 HD1 HIS 57 HD1 HIS 57 -7.516 9.577 -3.235 463 HD2 HIS 57 HD2 HIS 57 -4.913 6.355 -3.566 464 HE1 HIS 57 HE1 HIS 57 -8.811 7.736 -4.394 465 H PHE 58 HN PHE 58 -2.073 11.015 -3.559 466 HA PHE 58 HA PHE 58 -2.183 12.946 -1.341 467 HB2 PHE 58 HB2 PHE 58 0.476 11.902 -1.454 468 HB3 PHE 58 HB1 PHE 58 -0.671 11.848 -0.112 469 HD1 PHE 58 HD1 PHE 58 0.645 10.094 -3.012 470 HD2 PHE 58 HD2 PHE 58 -1.829 9.817 0.429 471 HE1 PHE 58 HE1 PHE 58 0.589 7.667 -3.259 472 HE2 PHE 58 HE2 PHE 58 -1.899 7.372 0.188 473 HZ PHE 58 HZ PHE 58 -0.684 6.288 -1.659 474 H THR 59 HN THR 59 -0.185 14.318 -1.336 475 HA THR 59 HA THR 59 0.105 15.487 -3.944 476 HB THR 59 HB THR 59 1.741 16.969 -2.490 477 HG1 THR 59 HG1 THR 59 1.178 16.918 -0.301 478 HG21 THR 59 HG21 THR 59 -1.259 16.904 -2.423 479 HG22 THR 59 HG22 THR 59 -0.198 17.930 -3.392 480 HG23 THR 59 HG23 THR 59 -0.335 18.196 -1.656 481 HA PRO 60 HA PRO 60 3.749 13.504 -5.391 482 HB2 PRO 60 HB2 PRO 60 5.103 15.917 -6.025 483 HB3 PRO 60 HB1 PRO 60 4.076 14.968 -7.112 484 HG2 PRO 60 HG2 PRO 60 3.382 17.353 -5.482 485 HG3 PRO 60 HG1 PRO 60 2.840 16.897 -7.109 486 HD2 PRO 60 HD2 PRO 60 1.216 16.596 -5.057 487 HD3 PRO 60 HD1 PRO 60 1.344 15.311 -6.280 488 H ASP 61 HN ASP 61 3.994 16.297 -3.302 489 HA ASP 61 HA ASP 61 6.653 16.037 -2.440 490 HB2 ASP 61 HB2 ASP 61 4.413 16.872 -0.599 491 HB3 ASP 61 HB1 ASP 61 6.081 17.432 -0.606 492 H SER 62 HN SER 62 3.684 14.600 -1.228 493 HA SER 62 HA SER 62 5.107 13.111 0.826 494 HB2 SER 62 HB2 SER 62 2.687 14.329 0.805 495 HB3 SER 62 HB1 SER 62 2.219 12.665 0.450 496 HG SER 62 HG SER 62 2.462 12.332 2.503 497 H PHE 63 HN PHE 63 4.546 12.634 -2.356 498 HA PHE 63 HA PHE 63 3.279 10.348 -2.851 499 HB2 PHE 63 HB2 PHE 63 5.662 11.515 -4.087 500 HB3 PHE 63 HB1 PHE 63 5.411 9.810 -4.388 501 HD1 PHE 63 HD2 PHE 63 2.240 10.229 -4.174 502 HD2 PHE 63 HD1 PHE 63 5.378 11.939 -6.487 503 HE1 PHE 63 HE2 PHE 63 0.638 10.754 -5.935 504 HE2 PHE 63 HE1 PHE 63 3.766 12.466 -8.267 505 HZ PHE 63 HZ PHE 63 1.391 11.877 -7.992 506 H LYS 64 HN LYS 64 6.705 10.209 -1.698 507 HA LYS 64 HA LYS 64 6.231 7.825 -0.256 508 HB2 LYS 64 HB2 LYS 64 7.435 6.198 -1.666 509 HB3 LYS 64 HB1 LYS 64 5.968 6.793 -2.421 510 HG2 LYS 64 HG2 LYS 64 7.248 8.259 -3.864 511 HG3 LYS 64 HG1 LYS 64 8.745 7.780 -3.059 512 HD2 LYS 64 HD2 LYS 64 8.681 6.506 -5.025 513 HD3 LYS 64 HD1 LYS 64 8.169 5.403 -3.749 514 HE2 LYS 64 HE2 LYS 64 5.780 6.342 -4.452 515 HE3 LYS 64 HE1 LYS 64 6.621 6.579 -5.981 516 HZ1 LYS 64 HZ1 LYS 64 7.326 4.185 -5.762 517 HZ2 LYS 64 HZ2 LYS 64 5.691 4.440 -6.085 518 HZ3 LYS 64 HZ3 LYS 64 6.188 4.036 -4.513 519 H ARG 65 HN ARG 65 8.933 6.700 -1.117 520 HA ARG 65 HA ARG 65 10.497 7.861 0.900 521 HB2 ARG 65 HB2 ARG 65 12.391 6.558 -0.211 522 HB3 ARG 65 HB1 ARG 65 11.023 5.644 0.393 523 HG2 ARG 65 HG2 ARG 65 10.191 5.932 -2.105 524 HG3 ARG 65 HG1 ARG 65 11.920 6.111 -2.399 525 HD2 ARG 65 HD2 ARG 65 11.229 3.873 -0.636 526 HD3 ARG 65 HD1 ARG 65 10.564 3.730 -2.260 527 HE ARG 65 HE ARG 65 13.168 4.365 -2.694 528 HH11 ARG 65 HH11 ARG 65 11.574 1.864 -0.815 529 HH12 ARG 65 HH12 ARG 65 12.850 0.709 -1.016 530 HH21 ARG 65 HH21 ARG 65 14.861 2.838 -2.976 531 HH22 ARG 65 HH22 ARG 65 14.723 1.263 -2.272 532 H GLU 66 HN GLU 66 9.887 9.018 -2.181 533 HA GLU 66 HA GLU 66 12.411 10.405 -2.490 534 HB2 GLU 66 HB2 GLU 66 9.883 10.418 -4.164 535 HB3 GLU 66 HB1 GLU 66 11.289 11.412 -4.512 536 HG2 GLU 66 HG2 GLU 66 12.636 9.505 -4.926 537 HG3 GLU 66 HG1 GLU 66 11.396 8.418 -4.300 538 H SER 67 HN SER 67 10.063 10.799 -0.419 539 HA SER 67 HA SER 67 9.199 13.478 -0.708 540 HB2 SER 67 HB2 SER 67 7.854 11.987 0.536 541 HB3 SER 67 HB1 SER 67 9.202 11.454 1.519 542 HG SER 67 HG SER 67 8.072 12.806 2.791 543 H ASN 68 HN ASN 68 10.253 13.208 2.442 544 HA ASN 68 HA ASN 68 12.343 15.192 1.959 545 HB2 ASN 68 HB2 ASN 68 10.364 14.783 4.008 546 HB3 ASN 68 HB1 ASN 68 11.968 14.870 4.732 547 HD21 ASN 68 HD21 ASN 68 13.159 16.770 4.550 548 HD22 ASN 68 HD22 ASN 68 12.437 18.269 4.081 549 H ASN 69 HN ASN 69 12.034 12.706 4.499 550 HA ASN 69 HA ASN 69 14.916 12.351 4.393 551 HB2 ASN 69 HB2 ASN 69 13.911 12.549 6.596 552 HB3 ASN 69 HB1 ASN 69 12.832 11.199 6.262 553 HD21 ASN 69 HD21 ASN 69 13.496 9.822 7.808 554 HD22 ASN 69 HD22 ASN 69 15.084 9.146 7.896 555 H LYS 70 HN LYS 70 12.346 9.913 4.793 556 HA LYS 70 HA LYS 70 13.391 8.467 2.498 557 HB2 LYS 70 HB2 LYS 70 14.619 7.797 4.653 558 HB3 LYS 70 HB1 LYS 70 13.108 7.041 5.137 559 HG2 LYS 70 HG2 LYS 70 14.661 5.434 4.162 560 HG3 LYS 70 HG1 LYS 70 13.187 5.579 3.207 561 HD2 LYS 70 HD2 LYS 70 15.109 5.469 1.746 562 HD3 LYS 70 HD1 LYS 70 14.378 7.069 1.644 563 HE2 LYS 70 HE2 LYS 70 16.314 8.007 2.206 564 HE3 LYS 70 HE1 LYS 70 16.339 7.090 3.710 565 HZ1 LYS 70 HZ1 LYS 70 18.306 6.597 2.495 566 HZ2 LYS 70 HZ2 LYS 70 17.437 6.241 1.089 567 HZ3 LYS 70 HZ3 LYS 70 17.319 5.226 2.433 568 H LEU 71 HN LEU 71 10.797 9.617 4.115 569 HA LEU 71 HA LEU 71 9.007 7.907 2.633 570 HB2 LEU 71 HB2 LEU 71 9.473 7.429 5.383 571 HB3 LEU 71 HB1 LEU 71 7.884 8.156 5.256 572 HG LEU 71 HG LEU 71 8.706 5.448 4.694 573 HD11 LEU 71 HD11 LEU 71 6.290 5.077 4.772 574 HD12 LEU 71 HD12 LEU 71 6.033 6.822 4.756 575 HD13 LEU 71 HD13 LEU 71 6.855 6.066 6.119 576 HD21 LEU 71 HD21 LEU 71 8.839 5.992 2.376 577 HD22 LEU 71 HD22 LEU 71 7.345 6.926 2.446 578 HD23 LEU 71 HD23 LEU 71 7.300 5.175 2.637 579 H LEU 72 HN LEU 72 6.607 8.700 3.388 580 HA LEU 72 HA LEU 72 6.337 11.268 2.320 581 HB2 LEU 72 HB2 LEU 72 4.175 10.516 4.118 582 HB3 LEU 72 HB1 LEU 72 4.129 10.883 2.401 583 HG LEU 72 HG LEU 72 5.281 8.396 2.404 584 HD11 LEU 72 HD11 LEU 72 4.225 6.992 3.937 585 HD12 LEU 72 HD12 LEU 72 3.071 8.237 4.416 586 HD13 LEU 72 HD13 LEU 72 4.763 8.370 4.898 587 HD21 LEU 72 HD21 LEU 72 3.528 9.088 0.906 588 HD22 LEU 72 HD22 LEU 72 2.367 9.148 2.232 589 HD23 LEU 72 HD23 LEU 72 3.036 7.600 1.716 590 H LYS 73 HN LYS 73 5.280 13.125 3.344 591 HA LYS 73 HA LYS 73 6.717 13.877 5.694 592 HB2 LYS 73 HB2 LYS 73 4.712 15.793 5.323 593 HB3 LYS 73 HB1 LYS 73 6.391 15.918 4.852 594 HG2 LYS 73 HG2 LYS 73 4.273 14.744 3.074 595 HG3 LYS 73 HG1 LYS 73 4.675 16.456 3.093 596 HD2 LYS 73 HD2 LYS 73 6.495 14.163 2.367 597 HD3 LYS 73 HD1 LYS 73 5.831 15.374 1.276 598 HE2 LYS 73 HE2 LYS 73 7.697 16.005 3.558 599 HE3 LYS 73 HE1 LYS 73 8.225 15.700 1.907 600 HZ1 LYS 73 HZ1 LYS 73 7.547 17.705 1.229 601 HZ2 LYS 73 HZ2 LYS 73 7.629 18.119 2.866 602 HZ3 LYS 73 HZ3 LYS 73 6.147 17.693 2.177 603 H GLU 74 HN GLU 74 6.144 13.499 7.656 604 HA GLU 74 HA GLU 74 3.972 12.071 8.533 605 HB2 GLU 74 HB2 GLU 74 4.575 12.721 10.771 606 HB3 GLU 74 HB1 GLU 74 6.030 12.451 9.826 607 HG2 GLU 74 HG2 GLU 74 4.929 15.200 10.062 608 HG3 GLU 74 HG1 GLU 74 5.832 14.508 11.407 609 H ASN 75 HN ASN 75 4.092 15.393 7.744 610 HA ASN 75 HA ASN 75 1.612 15.986 9.171 611 HB2 ASN 75 HB2 ASN 75 3.784 17.586 7.963 612 HB3 ASN 75 HB1 ASN 75 2.169 18.276 7.880 613 HD21 ASN 75 HD21 ASN 75 3.196 16.164 10.448 614 HD22 ASN 75 HD22 ASN 75 3.221 17.360 11.688 615 H ALA 76 HN ALA 76 2.206 14.487 6.412 616 HA ALA 76 HA ALA 76 -0.005 15.821 4.993 617 HB1 ALA 76 HB1 ALA 76 2.337 14.329 3.796 618 HB2 ALA 76 HB2 ALA 76 2.058 16.069 3.734 619 HB3 ALA 76 HB3 ALA 76 0.973 14.972 2.882 620 H VAL 77 HN VAL 77 -1.753 14.737 4.672 621 HA VAL 77 HA VAL 77 -1.666 11.813 4.573 622 HB VAL 77 HB VAL 77 -2.429 12.042 6.749 623 HG11 VAL 77 HG11 VAL 77 -3.837 13.700 7.649 624 HG12 VAL 77 HG12 VAL 77 -4.292 14.286 6.044 625 HG13 VAL 77 HG13 VAL 77 -2.647 14.527 6.637 626 HG21 VAL 77 HG21 VAL 77 -4.947 12.068 5.098 627 HG22 VAL 77 HG22 VAL 77 -4.835 11.556 6.783 628 HG23 VAL 77 HG23 VAL 77 -3.988 10.654 5.527 629 HA PRO 78 HA PRO 78 -3.712 12.254 0.698 630 HB2 PRO 78 HB2 PRO 78 -5.323 9.966 1.005 631 HB3 PRO 78 HB1 PRO 78 -3.697 10.009 0.307 632 HG2 PRO 78 HG2 PRO 78 -4.545 9.300 3.053 633 HG3 PRO 78 HG1 PRO 78 -3.246 8.622 2.049 634 HD2 PRO 78 HD2 PRO 78 -2.672 10.276 4.035 635 HD3 PRO 78 HD1 PRO 78 -1.801 10.397 2.493 636 H THR 79 HN THR 79 -5.030 14.010 0.808 637 HA THR 79 HA THR 79 -7.690 13.653 1.998 638 HB THR 79 HB THR 79 -6.229 15.662 2.602 639 HG1 THR 79 HG1 THR 79 -8.746 16.381 1.494 640 HG21 THR 79 HG21 THR 79 -7.159 16.667 -0.083 641 HG22 THR 79 HG22 THR 79 -5.513 16.136 0.261 642 HG23 THR 79 HG23 THR 79 -6.183 17.536 1.102 643 H ILE 80 HN ILE 80 -6.033 13.647 -0.914 644 HA ILE 80 HA ILE 80 -8.057 14.674 -2.657 645 HB ILE 80 HB ILE 80 -5.995 12.781 -3.671 646 HG12 ILE 80 HG12 ILE 80 -5.113 14.572 -1.851 647 HG13 ILE 80 HG11 ILE 80 -4.157 14.045 -3.226 648 HG21 ILE 80 HG21 ILE 80 -5.891 14.419 -5.510 649 HG22 ILE 80 HG22 ILE 80 -7.084 15.410 -4.668 650 HG23 ILE 80 HG23 ILE 80 -7.518 13.799 -5.241 651 HD11 ILE 80 HD11 ILE 80 -5.726 16.594 -2.956 652 HD12 ILE 80 HD12 ILE 80 -4.995 16.044 -4.464 653 HD13 ILE 80 HD13 ILE 80 -3.973 16.405 -3.071 654 H PHE 81 HN PHE 81 -8.246 12.103 -0.771 655 HA PHE 81 HA PHE 81 -8.766 9.801 -2.115 656 HB2 PHE 81 HB2 PHE 81 -9.941 11.039 0.319 657 HB3 PHE 81 HB1 PHE 81 -10.732 9.618 -0.337 658 HD1 PHE 81 HD2 PHE 81 -7.317 9.400 -1.093 659 HD2 PHE 81 HD1 PHE 81 -10.070 8.947 2.120 660 HE1 PHE 81 HE2 PHE 81 -5.719 7.947 0.063 661 HE2 PHE 81 HE1 PHE 81 -8.463 7.492 3.287 662 HZ PHE 81 HZ PHE 81 -6.279 6.991 2.253 663 H LEU 82 HN LEU 82 -11.171 12.369 -1.574 664 HA LEU 82 HA LEU 82 -12.451 11.933 -4.073 665 HB2 LEU 82 HB2 LEU 82 -13.217 10.214 -1.971 666 HB3 LEU 82 HB1 LEU 82 -14.505 11.380 -2.124 667 HG LEU 82 HG LEU 82 -14.292 9.035 -3.538 668 HD11 LEU 82 HD11 LEU 82 -16.208 10.771 -3.120 669 HD12 LEU 82 HD12 LEU 82 -16.292 9.635 -4.462 670 HD13 LEU 82 HD13 LEU 82 -15.795 11.298 -4.750 671 HD21 LEU 82 HD21 LEU 82 -13.641 11.221 -5.498 672 HD22 LEU 82 HD22 LEU 82 -13.824 9.497 -5.814 673 HD23 LEU 82 HD23 LEU 82 -12.448 10.081 -4.880 674 H GLU 83 HN GLU 83 -14.392 13.308 -4.272 675 HA GLU 83 HA GLU 83 -14.019 15.853 -3.100 676 HB2 GLU 83 HB2 GLU 83 -14.966 15.492 -5.363 677 HB3 GLU 83 HB1 GLU 83 -16.402 14.785 -4.638 678 HG2 GLU 83 HG2 GLU 83 -17.012 16.970 -5.150 679 HG3 GLU 83 HG1 GLU 83 -16.676 17.000 -3.419 680 H LEU 84 HN LEU 84 -17.026 13.946 -3.020 681 HA LEU 84 HA LEU 84 -17.221 14.405 -0.138 682 HB2 LEU 84 HB2 LEU 84 -18.534 16.078 -1.787 683 HB3 LEU 84 HB1 LEU 84 -19.712 14.784 -1.710 684 HG LEU 84 HG LEU 84 -20.131 16.624 -0.093 685 HD11 LEU 84 HD11 LEU 84 -21.057 14.453 0.375 686 HD12 LEU 84 HD12 LEU 84 -20.486 15.181 1.877 687 HD13 LEU 84 HD13 LEU 84 -19.536 13.920 1.093 688 HD21 LEU 84 HD21 LEU 84 -18.722 17.022 1.752 689 HD22 LEU 84 HD22 LEU 84 -17.672 17.020 0.337 690 HD23 LEU 84 HD23 LEU 84 -17.726 15.613 1.394 691 H VAL 85 HN VAL 85 -19.166 13.103 -2.815 692 HA VAL 85 HA VAL 85 -18.955 10.420 -1.813 693 HB VAL 85 HB VAL 85 -20.720 11.061 -0.369 694 HG11 VAL 85 HG11 VAL 85 -22.097 12.315 -2.740 695 HG12 VAL 85 HG12 VAL 85 -21.322 13.173 -1.409 696 HG13 VAL 85 HG13 VAL 85 -22.761 12.198 -1.110 697 HG21 VAL 85 HG21 VAL 85 -22.673 9.787 -1.207 698 HG22 VAL 85 HG22 VAL 85 -21.141 8.931 -1.390 699 HG23 VAL 85 HG23 VAL 85 -21.895 9.701 -2.788 700 HA PRO 86 HA PRO 86 -19.216 9.803 -6.217 701 HB2 PRO 86 HB2 PRO 86 -19.960 7.024 -5.555 702 HB3 PRO 86 HB1 PRO 86 -18.541 7.627 -6.429 703 HG2 PRO 86 HG2 PRO 86 -18.368 6.602 -3.962 704 HG3 PRO 86 HG1 PRO 86 -17.309 7.904 -4.534 705 HD2 PRO 86 HD2 PRO 86 -19.658 8.056 -2.708 706 HD3 PRO 86 HD1 PRO 86 -18.145 8.978 -2.684 707 H ARG 87 HN ARG 87 -20.798 9.275 -7.827 708 HA ARG 87 HA ARG 87 -23.518 8.874 -6.800 709 HB2 ARG 87 HB2 ARG 87 -24.275 10.524 -8.592 710 HB3 ARG 87 HB1 ARG 87 -23.490 11.203 -7.175 711 HG2 ARG 87 HG2 ARG 87 -22.176 12.315 -8.576 712 HG3 ARG 87 HG1 ARG 87 -21.414 10.770 -8.957 713 HD2 ARG 87 HD2 ARG 87 -22.160 12.019 -10.961 714 HD3 ARG 87 HD1 ARG 87 -22.912 10.431 -10.810 715 HE ARG 87 HE ARG 87 -24.227 13.016 -10.278 716 HH11 ARG 87 HH11 ARG 87 -24.400 9.577 -10.919 717 HH12 ARG 87 HH12 ARG 87 -26.122 9.570 -11.121 718 HH21 ARG 87 HH21 ARG 87 -26.493 13.012 -10.543 719 HH22 ARG 87 HH22 ARG 87 -27.316 11.529 -10.905 720 H5' DG 1 H5' G 1 31.563 -0.943 -8.204 721 H5'' DG 1 H5'' G 1 30.593 -1.428 -9.606 722 H4' DG 1 H4' G 1 31.156 -3.390 -8.408 723 H3' DG 1 H3' G 1 28.614 -3.052 -9.074 724 H2' DG 1 H2' G 1 27.859 -1.834 -7.153 725 H2'' DG 1 H2'' G 1 27.451 -3.477 -6.680 726 H1' DG 1 H1' G 1 29.349 -3.696 -5.269 727 H8 DG 1 H8 G 1 28.707 -0.017 -6.260 728 H1 DG 1 H1 G 1 29.537 -1.117 0.002 729 H21 DG 1 H21 G 1 30.143 -4.397 -0.965 730 H22 DG 1 H22 G 1 30.036 -3.252 0.351 731 HO5' DG 1 H5T G 1 29.971 0.258 -7.630 732 H5' DC 2 H5' C 2 29.375 -6.431 -5.939 733 H5'' DC 2 H5'' C 2 28.894 -7.850 -6.888 734 H4' DC 2 H4' C 2 28.644 -8.516 -4.670 735 H3' DC 2 H3' C 2 26.444 -8.715 -6.135 736 H2' DC 2 H2' C 2 25.501 -6.556 -5.759 737 H2'' DC 2 H2'' C 2 24.692 -7.476 -4.497 738 H1' DC 2 H1' C 2 26.134 -6.686 -2.791 739 H41 DC 2 H41 C 2 25.622 -0.428 -4.888 740 H42 DC 2 H42 C 2 25.758 -0.377 -3.148 741 H5 DC 2 H5 C 2 25.773 -2.493 -6.162 742 H6 DC 2 H6 C 2 26.122 -4.900 -6.012 743 H5' DT 3 H5' T 3 26.193 -9.512 -1.626 744 H5'' DT 3 H5'' T 3 25.588 -11.177 -1.545 745 H4' DT 3 H4' T 3 25.126 -10.267 0.555 746 H3' DT 3 H3' T 3 23.026 -11.245 -0.739 747 H2' DT 3 H2' T 3 22.331 -9.283 -1.921 748 H2'' DT 3 H2'' T 3 21.322 -9.170 -0.485 749 H1' DT 3 H1' T 3 22.723 -7.583 0.560 750 H3 DT 3 H3 T 3 23.021 -3.620 -1.440 751 H71 DT 3 H71 T 3 23.047 -7.404 -5.296 752 H72 DT 3 H72 T 3 21.794 -6.145 -5.392 753 H73 DT 3 H73 T 3 23.503 -5.720 -5.651 754 H6 DT 3 H6 T 3 23.103 -8.106 -3.064 755 H5' DT 4 H5' T 4 22.406 -8.810 3.010 756 H5'' DT 4 H5'' T 4 21.725 -10.004 4.131 757 H4' DT 4 H4' T 4 21.236 -7.955 5.111 758 H3' DT 4 H3' T 4 19.122 -9.476 4.631 759 H2' DT 4 H2' T 4 18.590 -8.733 2.418 760 H2'' DT 4 H2'' T 4 17.538 -7.701 3.371 761 H1' DT 4 H1' T 4 19.009 -5.835 3.227 762 H3 DT 4 H3 T 4 19.616 -4.122 -0.826 763 H71 DT 4 H71 T 4 18.744 -8.827 -2.160 764 H72 DT 4 H72 T 4 20.355 -8.309 -2.709 765 H73 DT 4 H73 T 4 20.201 -9.441 -1.345 766 H6 DT 4 H6 T 4 19.632 -8.593 0.848 767 H5' DG 5 H5' G 5 18.458 -5.099 6.171 768 H5'' DG 5 H5'' G 5 17.550 -5.426 7.661 769 H4' DG 5 H4' G 5 17.047 -3.213 7.157 770 H3' DG 5 H3' G 5 14.935 -4.804 7.345 771 H2' DG 5 H2' G 5 14.782 -5.532 5.067 772 H2'' DG 5 H2'' G 5 13.675 -4.164 5.047 773 H1' DG 5 H1' G 5 15.257 -2.706 4.048 774 H8 DG 5 H8 G 5 16.336 -6.401 3.781 775 H1 DG 5 H1 G 5 16.405 -3.067 -1.698 776 H21 DG 5 H21 G 5 15.569 -0.360 0.310 777 H22 DG 5 H22 G 5 15.932 -0.932 -1.301 778 H5' DT 6 H5' T 6 14.176 -0.580 5.642 779 H5'' DT 6 H5'' T 6 13.053 0.109 6.831 780 H4' DT 6 H4' T 6 12.676 1.358 4.906 781 H3' DT 6 H3' T 6 10.536 0.123 5.863 782 H2' DT 6 H2' T 6 10.729 -1.956 4.684 783 H2'' DT 6 H2'' T 6 9.622 -1.079 3.649 784 H1' DT 6 H1' T 6 11.351 -0.472 2.109 785 H3 DT 6 H3 T 6 13.252 -3.821 -0.135 786 H71 DT 6 H71 T 6 11.814 -6.493 3.604 787 H72 DT 6 H72 T 6 12.425 -5.488 4.941 788 H73 DT 6 H73 T 6 13.566 -6.343 3.879 789 H6 DT 6 H6 T 6 11.980 -3.252 4.429 790 H5' DG 7 H5' G 7 10.470 2.336 1.861 791 H5'' DG 7 H5'' G 7 9.149 3.505 2.053 792 H4' DG 7 H4' G 7 9.459 3.388 -0.243 793 H3' DG 7 H3' G 7 7.009 2.773 0.555 794 H2' DG 7 H2' G 7 7.280 0.411 0.881 795 H2'' DG 7 H2'' G 7 6.650 0.453 -0.760 796 H1' DG 7 H1' G 7 8.794 0.167 -1.742 797 H8 DG 7 H8 G 7 9.148 -0.578 2.043 798 H1 DG 7 H1 G 7 10.537 -5.389 -1.962 799 H21 DG 7 H21 G 7 9.891 -3.072 -4.465 800 H22 DG 7 H22 G 7 10.360 -4.705 -4.067 801 H5' DT 8 H5' T 8 8.108 1.245 -3.590 802 H5'' DT 8 H5'' T 8 7.143 2.366 -4.569 803 H4' DT 8 H4' T 8 7.478 0.587 -6.004 804 H3' DT 8 H3' T 8 4.923 1.060 -5.480 805 H2' DT 8 H2' T 8 4.658 -0.348 -3.543 806 H2'' DT 8 H2'' T 8 4.104 -1.421 -4.819 807 H1' DT 8 H1' T 8 6.172 -2.569 -4.954 808 H3 DT 8 H3 T 8 7.159 -5.114 -1.500 809 H71 DT 8 H71 T 8 6.680 -1.415 1.423 810 H72 DT 8 H72 T 8 5.636 -0.326 0.474 811 H73 DT 8 H73 T 8 4.956 -1.801 1.200 812 H6 DT 8 H6 T 8 5.759 -0.565 -1.842 813 H5' DG 9 H5' G 9 5.195 -3.710 -7.480 814 H5'' DG 9 H5'' G 9 4.451 -2.919 -8.885 815 H4' DG 9 H4' G 9 3.481 -4.998 -8.948 816 H3' DG 9 H3' G 9 1.722 -3.053 -8.533 817 H2' DG 9 H2' G 9 1.725 -2.997 -6.142 818 H2'' DG 9 H2'' G 9 0.374 -4.085 -6.435 819 H1' DG 9 H1' G 9 1.654 -6.031 -6.040 820 H8 DG 9 H8 G 9 2.520 -2.795 -4.328 821 H1 DG 9 H1 G 9 4.085 -8.071 -1.017 822 H21 DG 9 H21 G 9 3.620 -9.724 -4.017 823 H22 DG 9 H22 G 9 4.054 -9.840 -2.333 824 H5' DG 10 H5' G 10 0.677 -7.343 -8.100 825 H5'' DG 10 H5'' G 10 -0.319 -7.463 -9.561 826 H4' DG 10 H4' G 10 -0.748 -9.459 -8.511 827 H3' DG 10 H3' G 10 -2.911 -7.951 -8.784 828 H2' DG 10 H2' G 10 -2.841 -6.745 -6.715 829 H2'' DG 10 H2'' G 10 -3.877 -8.094 -6.252 830 H1' DG 10 H1' G 10 -2.151 -9.283 -5.219 831 H8 DG 10 H8 G 10 -1.525 -5.484 -5.523 832 H1 DG 10 H1 G 10 -0.028 -8.274 0.060 833 H21 DG 10 H21 G 10 -0.412 -11.222 -1.677 834 H22 DG 10 H22 G 10 -0.008 -10.468 -0.155 835 H5' DG 11 H5' G 11 -2.979 -11.352 -5.775 836 H5'' DG 11 H5'' G 11 -3.530 -12.327 -7.151 837 H4' DG 11 H4' G 11 -3.820 -13.779 -5.409 838 H3' DG 11 H3' G 11 -6.107 -13.133 -6.573 839 H2' DG 11 H2' G 11 -6.719 -11.238 -5.256 840 H2'' DG 11 H2'' G 11 -7.574 -12.508 -4.394 841 H1' DG 11 H1' G 11 -5.926 -12.674 -2.699 842 H8 DG 11 H8 G 11 -5.919 -9.368 -4.666 843 H1 DG 11 H1 G 11 -4.991 -8.894 1.683 844 H21 DG 11 H21 G 11 -4.696 -12.317 1.589 845 H22 DG 11 H22 G 11 -4.648 -10.856 2.549 846 H5' DC 12 H5' C 12 -6.150 -15.586 -2.677 847 H5'' DC 12 H5'' C 12 -6.706 -17.104 -3.409 848 H4' DC 12 H4' C 12 -7.079 -17.401 -1.138 849 H3' DC 12 H3' C 12 -9.245 -17.632 -2.643 850 H2' DC 12 H2' C 12 -10.001 -15.370 -2.630 851 H2'' DC 12 H2'' C 12 -10.922 -16.010 -1.275 852 H1' DC 12 H1' C 12 -9.459 -15.094 0.343 853 H41 DC 12 H41 C 12 -9.421 -9.210 -2.670 854 H42 DC 12 H42 C 12 -9.348 -8.926 -0.950 855 H5 DC 12 H5 C 12 -9.305 -11.451 -3.630 856 H6 DC 12 H6 C 12 -9.122 -13.820 -3.113 857 H5' DA 13 H5' A 13 -9.945 -18.055 2.123 858 H5'' DA 13 H5'' A 13 -10.812 -19.604 2.105 859 H4' DA 13 H4' A 13 -11.408 -18.429 4.086 860 H3' DA 13 H3' A 13 -13.358 -19.466 2.626 861 H2' DA 13 H2' A 13 -13.791 -17.638 1.154 862 H2'' DA 13 H2'' A 13 -14.966 -17.305 2.418 863 H1' DA 13 H1' A 13 -13.636 -15.626 3.417 864 H8 DA 13 H8 A 13 -12.673 -16.520 -0.210 865 H61 DA 13 H61 A 13 -12.181 -11.962 -1.835 866 H62 DA 13 H62 A 13 -12.224 -10.396 -1.054 867 H2 DA 13 H2 A 13 -12.939 -11.173 3.312 868 H5' DG 14 H5' G 14 -14.498 -16.799 6.331 869 H5'' DG 14 H5'' G 14 -15.505 -17.933 7.254 870 H4' DG 14 H4' G 14 -16.070 -15.778 8.004 871 H3' DG 14 H3' G 14 -18.091 -17.306 7.237 872 H2' DG 14 H2' G 14 -18.162 -16.733 4.910 873 H2'' DG 14 H2'' G 14 -19.342 -15.603 5.560 874 H1' DG 14 H1' G 14 -17.828 -13.781 5.537 875 H8 DG 14 H8 G 14 -16.732 -16.742 3.321 876 H1 DG 14 H1 G 14 -16.105 -10.897 0.739 877 H21 DG 14 H21 G 14 -16.999 -9.765 3.892 878 H22 DG 14 H22 G 14 -16.546 -9.340 2.258 879 H5' DC 15 H5' C 15 -19.304 -12.787 8.576 880 H5'' DC 15 H5'' C 15 -20.699 -13.121 9.618 881 H4' DC 15 H4' C 15 -20.975 -10.941 8.738 882 H3' DC 15 H3' C 15 -22.992 -12.653 8.509 883 H2' DC 15 H2' C 15 -22.515 -13.612 6.413 884 H2'' DC 15 H2'' C 15 -23.566 -12.304 5.890 885 H1' DC 15 H1' C 15 -21.782 -10.932 5.206 886 H41 DC 15 H41 C 15 -19.327 -15.975 1.788 887 H42 DC 15 H42 C 15 -19.022 -14.528 0.862 888 H5 DC 15 H5 C 15 -20.236 -15.932 4.041 889 H6 DC 15 H6 C 15 -21.108 -14.491 5.806 890 H5' DG 16 H5' G 16 -25.459 -8.109 8.285 891 H5'' DG 16 H5'' G 16 -27.016 -8.614 7.619 892 H4' DG 16 H4' G 16 -26.230 -6.302 7.014 893 H3' DG 16 H3' G 16 -27.743 -7.869 5.486 894 H2' DG 16 H2' G 16 -26.252 -8.998 4.210 895 H2'' DG 16 H2'' G 16 -26.462 -7.608 3.152 896 H1' DG 16 H1' G 16 -24.390 -6.686 3.762 897 H8 DG 16 H8 G 16 -23.768 -9.629 6.083 898 H1 DG 16 H1 G 16 -22.530 -10.940 -0.061 899 H21 DG 16 H21 G 16 -23.581 -7.696 -0.672 900 H22 DG 16 H22 G 16 -22.961 -9.194 -1.323 901 H5' DC 17 H5' C 17 -24.370 -13.739 -6.998 902 H5'' DC 17 H5'' C 17 -22.973 -14.300 -7.932 903 H4' DC 17 H4' C 17 -23.117 -11.847 -7.735 904 H3' DC 17 H3' C 17 -20.789 -13.107 -7.756 905 H2' DC 17 H2' C 17 -20.582 -13.616 -5.423 906 H2'' DC 17 H2'' C 17 -19.696 -12.102 -5.508 907 H1' DC 17 H1' C 17 -21.492 -10.839 -4.632 908 H41 DC 17 H41 C 17 -22.279 -15.295 0.161 909 H42 DC 17 H42 C 17 -22.606 -13.738 0.867 910 H5 DC 17 H5 C 17 -21.873 -15.618 -2.206 911 H6 DC 17 H6 C 17 -21.671 -14.495 -4.365 912 H5' DG 18 H5' G 18 -20.973 -8.780 -6.469 913 H5'' DG 18 H5'' G 18 -20.008 -7.892 -7.662 914 H4' DG 18 H4' G 18 -20.168 -6.472 -5.818 915 H3' DG 18 H3' G 18 -17.696 -6.999 -6.615 916 H2' DG 18 H2' G 18 -17.257 -8.949 -5.298 917 H2'' DG 18 H2'' G 18 -16.588 -7.698 -4.262 918 H1' DG 18 H1' G 18 -18.484 -7.662 -2.837 919 H8 DG 18 H8 G 18 -18.140 -10.805 -5.021 920 H1 DG 18 H1 G 18 -19.761 -11.834 1.104 921 H21 DG 18 H21 G 18 -20.032 -8.387 1.288 922 H22 DG 18 H22 G 18 -20.141 -9.914 2.129 923 H5' DC 19 H5' C 19 -18.342 -4.905 -2.678 924 H5'' DC 19 H5'' C 19 -17.656 -3.287 -2.922 925 H4' DC 19 H4' C 19 -17.779 -3.523 -0.612 926 H3' DC 19 H3' C 19 -15.350 -2.999 -1.523 927 H2' DC 19 H2' C 19 -14.566 -5.232 -1.881 928 H2'' DC 19 H2'' C 19 -13.958 -4.934 -0.260 929 H1' DC 19 H1' C 19 -15.707 -6.162 0.776 930 H41 DC 19 H41 C 19 -15.163 -11.227 -3.474 931 H42 DC 19 H42 C 19 -15.514 -11.888 -1.898 932 H5 DC 19 H5 C 19 -15.094 -8.808 -3.892 933 H6 DC 19 H6 C 19 -15.311 -6.606 -2.867 934 H5' DT 20 H5' T 20 -15.665 -3.980 3.091 935 H5'' DT 20 H5'' T 20 -14.978 -2.495 3.778 936 H4' DT 20 H4' T 20 -14.762 -4.215 5.396 937 H3' DT 20 H3' T 20 -12.605 -2.775 4.886 938 H2' DT 20 H2' T 20 -11.702 -4.051 3.060 939 H2'' DT 20 H2'' T 20 -10.824 -4.745 4.419 940 H1' DT 20 H1' T 20 -12.228 -6.659 4.525 941 H3 DT 20 H3 T 20 -12.475 -9.368 1.014 942 H71 DT 20 H71 T 20 -12.256 -4.317 -0.868 943 H72 DT 20 H72 T 20 -12.604 -5.708 -1.923 944 H73 DT 20 H73 T 20 -10.937 -5.392 -1.391 945 H6 DT 20 H6 T 20 -12.298 -4.622 1.471 946 H5' DG 21 H5' G 21 -11.568 -6.727 8.037 947 H5'' DG 21 H5'' G 21 -10.879 -5.566 9.191 948 H4' DG 21 H4' G 21 -9.732 -7.615 9.487 949 H3' DG 21 H3' G 21 -8.249 -5.454 9.146 950 H2' DG 21 H2' G 21 -8.068 -5.457 6.756 951 H2'' DG 21 H2'' G 21 -6.601 -6.321 7.196 952 H1' DG 21 H1' G 21 -7.536 -8.443 6.709 953 H8 DG 21 H8 G 21 -9.078 -5.355 5.129 954 H1 DG 21 H1 G 21 -9.088 -10.576 1.401 955 H21 DG 21 H21 G 21 -8.217 -12.265 4.292 956 H22 DG 21 H22 G 21 -8.580 -12.365 2.583 957 H5' DC 22 H5' C 22 -6.364 -9.434 8.778 958 H5'' DC 22 H5'' C 22 -5.361 -9.557 10.236 959 H4' DC 22 H4' C 22 -4.548 -11.244 8.873 960 H3' DC 22 H3' C 22 -2.742 -9.420 9.549 961 H2' DC 22 H2' C 22 -2.998 -7.894 7.736 962 H2'' DC 22 H2'' C 22 -1.692 -8.899 7.117 963 H1' DC 22 H1' C 22 -3.121 -10.168 5.732 964 H41 DC 22 H41 C 22 -5.622 -4.596 3.151 965 H42 DC 22 H42 C 22 -5.599 -5.851 1.941 966 H5 DC 22 H5 C 22 -5.161 -5.185 5.578 967 H6 DC 22 H6 C 22 -4.345 -6.962 7.043 968 H5' DC 23 H5' C 23 -1.542 -12.501 6.129 969 H5'' DC 23 H5'' C 23 -0.655 -13.322 7.426 970 H4' DC 23 H4' C 23 0.222 -14.297 5.543 971 H3' DC 23 H3' C 23 2.048 -12.978 6.944 972 H2' DC 23 H2' C 23 1.878 -10.830 5.911 973 H2'' DC 23 H2'' C 23 3.185 -11.532 4.971 974 H1' DC 23 H1' C 23 1.778 -12.095 3.156 975 H41 DC 23 H41 C 23 -0.548 -5.960 2.975 976 H42 DC 23 H42 C 23 -0.501 -6.530 1.335 977 H5 DC 23 H5 C 23 -0.147 -7.398 4.894 978 H6 DC 23 H6 C 23 0.485 -9.634 5.602 979 H5' DC 24 H5' C 24 3.086 -14.585 2.747 980 H5'' DC 24 H5'' C 24 4.213 -15.818 3.340 981 H4' DC 24 H4' C 24 4.658 -15.719 1.072 982 H3' DC 24 H3' C 24 6.747 -15.165 2.609 983 H2' DC 24 H2' C 24 6.484 -12.800 2.815 984 H2'' DC 24 H2'' C 24 7.593 -12.885 1.455 985 H1' DC 24 H1' C 24 5.866 -12.554 -0.151 986 H41 DC 24 H41 C 24 3.749 -7.262 3.129 987 H42 DC 24 H42 C 24 3.569 -6.922 1.423 988 H5 DC 24 H5 C 24 4.420 -9.438 3.988 989 H6 DC 24 H6 C 24 5.084 -11.701 3.361 990 H5' DA 25 H5' A 25 7.027 -14.425 -1.865 991 H5'' DA 25 H5'' A 25 8.201 -15.682 -2.289 992 H4' DA 25 H4' A 25 8.171 -14.291 -4.143 993 H3' DA 25 H3' A 25 10.559 -14.559 -3.022 994 H2' DA 25 H2' A 25 10.477 -12.740 -1.463 995 H2'' DA 25 H2'' A 25 11.273 -11.972 -2.829 996 H1' DA 25 H1' A 25 9.299 -10.918 -3.584 997 H8 DA 25 H8 A 25 9.022 -12.061 0.123 998 H61 DA 25 H61 A 25 7.529 -7.761 1.852 999 H62 DA 25 H62 A 25 7.130 -6.230 1.098 1000 H2 DA 25 H2 A 25 7.649 -6.826 -3.321 1001 H5' DC 26 H5' C 26 9.796 -11.428 -6.188 1002 H5'' DC 26 H5'' C 26 10.810 -12.077 -7.490 1003 H4' DC 26 H4' C 26 10.354 -9.917 -8.181 1004 H3' DC 26 H3' C 26 12.937 -10.429 -7.907 1005 H2' DC 26 H2' C 26 13.233 -9.803 -5.621 1006 H2'' DC 26 H2'' C 26 13.682 -8.305 -6.423 1007 H1' DC 26 H1' C 26 11.563 -7.295 -6.028 1008 H41 DC 26 H41 C 26 11.520 -8.994 0.371 1009 H42 DC 26 H42 C 26 10.964 -7.348 0.240 1010 H5 DC 26 H5 C 26 12.080 -10.354 -1.588 1011 H6 DC 26 H6 C 26 12.173 -10.379 -4.032 1012 H5' DA 27 H5' A 27 11.719 -5.983 -8.826 1013 H5'' DA 27 H5'' A 27 12.553 -5.781 -10.379 1014 H4' DA 27 H4' A 27 12.220 -3.613 -9.609 1015 H3' DA 27 H3' A 27 14.753 -4.216 -10.095 1016 H2' DA 27 H2' A 27 15.381 -5.070 -7.944 1017 H2'' DA 27 H2'' A 27 15.879 -3.392 -7.788 1018 H1' DA 27 H1' A 27 13.957 -2.785 -6.542 1019 H8 DA 27 H8 A 27 14.600 -6.600 -6.609 1020 H61 DA 27 H61 A 27 14.068 -7.342 -1.841 1021 H62 DA 27 H62 A 27 13.615 -6.316 -0.497 1022 H2 DA 27 H2 A 27 12.877 -2.238 -2.226 1023 H5' DC 28 H5' C 28 13.798 -0.298 -7.929 1024 H5'' DC 28 H5'' C 28 14.408 0.931 -9.056 1025 H4' DC 28 H4' C 28 14.260 2.035 -7.015 1026 H3' DC 28 H3' C 28 16.678 2.068 -8.094 1027 H2' DC 28 H2' C 28 17.575 0.064 -7.135 1028 H2'' DC 28 H2'' C 28 18.142 1.260 -5.978 1029 H1' DC 28 H1' C 28 16.433 0.769 -4.412 1030 H41 DC 28 H41 C 28 17.409 -5.754 -4.939 1031 H42 DC 28 H42 C 28 17.014 -5.416 -3.276 1032 H5 DC 28 H5 C 28 17.406 -4.032 -6.669 1033 H6 DC 28 H6 C 28 16.997 -1.669 -7.121 1034 H5' DA 29 H5' A 29 16.116 3.955 -3.784 1035 H5'' DA 29 H5'' A 29 16.815 5.565 -4.043 1036 H4' DA 29 H4' A 29 16.907 5.177 -1.729 1037 H3' DA 29 H3' A 29 19.187 5.867 -2.882 1038 H2' DA 29 H2' A 29 20.008 3.695 -3.476 1039 H2'' DA 29 H2'' A 29 20.801 3.937 -1.928 1040 H1' DA 29 H1' A 29 19.240 2.580 -0.756 1041 H8 DA 29 H8 A 29 19.086 2.047 -4.580 1042 H61 DA 29 H61 A 29 19.518 -2.781 -4.531 1043 H62 DA 29 H62 A 29 19.577 -3.981 -3.252 1044 H2 DA 29 H2 A 29 19.246 -1.719 0.616 1045 H5' DA 30 H5' A 30 19.299 4.404 1.512 1046 H5'' DA 30 H5'' A 30 19.866 5.880 2.315 1047 H4' DA 30 H4' A 30 20.314 4.195 3.841 1048 H3' DA 30 H3' A 30 22.459 5.572 3.124 1049 H2' DA 30 H2' A 30 23.162 4.268 1.235 1050 H2'' DA 30 H2'' A 30 24.128 3.538 2.511 1051 H1' DA 30 H1' A 30 22.680 1.682 2.751 1052 H8 DA 30 H8 A 30 21.959 3.544 -0.581 1053 H61 DA 30 H61 A 30 22.313 -0.353 -3.478 1054 H62 DA 30 H62 A 30 22.583 -2.049 -3.190 1055 H2 DA 30 H2 A 30 23.011 -2.506 1.285 1056 H5' DG 31 H5' G 31 23.007 1.711 5.569 1057 H5'' DG 31 H5'' G 31 23.624 2.393 7.087 1058 H4' DG 31 H4' G 31 24.209 0.151 7.193 1059 H3' DG 31 H3' G 31 26.262 1.812 7.384 1060 H2' DG 31 H2' G 31 26.834 2.015 5.067 1061 H2'' DG 31 H2'' G 31 27.909 0.711 5.552 1062 H1' DG 31 H1' G 31 26.517 -0.978 4.643 1063 H8 DG 31 H8 G 31 25.739 2.549 3.295 1064 H1 DG 31 H1 G 31 26.071 -2.127 -1.082 1065 H21 DG 31 H21 G 31 26.439 -4.227 1.643 1066 H22 DG 31 H22 G 31 26.348 -4.095 -0.094 1067 H5' DC 32 H5' C 32 27.436 -2.693 6.785 1068 H5'' DC 32 H5'' C 32 28.178 -2.982 8.372 1069 H4' DC 32 H4' C 32 29.104 -4.616 7.012 1070 H3' DC 32 H3' C 32 30.890 -3.018 8.136 1071 HO3' DC 32 H3T C 32 31.082 -5.161 6.396 1072 H2' DC 32 H2' C 32 31.015 -1.315 6.458 1073 H2'' DC 32 H2'' C 32 32.347 -2.351 5.962 1074 H1' DC 32 H1' C 32 31.088 -3.395 4.242 1075 H41 DC 32 H41 C 32 28.898 2.393 1.929 1076 H42 DC 32 H42 C 32 28.941 1.288 0.575 1077 H5 DC 32 H5 C 32 29.384 1.699 4.202 1078 H6 DC 32 H6 C 32 29.960 -0.199 5.626 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 -4.831 -2.488 -1.996 2 H2 MET 1 HT2 MET 1 -4.975 -1.530 -3.383 3 H3 MET 1 HT3 MET 1 -3.486 -2.247 -2.999 4 HA MET 1 HA MET 1 -4.003 -4.171 -3.908 5 HB2 MET 1 HB2 MET 1 -6.423 -5.061 -3.769 6 HB3 MET 1 HB1 MET 1 -5.482 -4.993 -2.289 7 HG2 MET 1 HG2 MET 1 -6.753 -3.336 -1.387 8 HG3 MET 1 HG1 MET 1 -7.182 -2.656 -2.956 9 HE1 MET 1 HE1 MET 1 -7.308 -6.343 -1.844 10 HE2 MET 1 HE2 MET 1 -9.010 -6.625 -1.482 11 HE3 MET 1 HE3 MET 1 -8.025 -5.655 -0.384 12 H VAL 2 HN VAL 2 -5.249 -4.979 -5.855 13 HA VAL 2 HA VAL 2 -5.403 -2.862 -7.737 14 HB VAL 2 HB VAL 2 -6.374 -4.758 -9.236 15 HG11 VAL 2 HG11 VAL 2 -3.582 -4.881 -8.108 16 HG12 VAL 2 HG12 VAL 2 -4.126 -3.859 -9.436 17 HG13 VAL 2 HG13 VAL 2 -4.108 -5.612 -9.623 18 HG21 VAL 2 HG21 VAL 2 -5.289 -6.357 -6.919 19 HG22 VAL 2 HG22 VAL 2 -5.788 -7.004 -8.481 20 HG23 VAL 2 HG23 VAL 2 -6.978 -6.261 -7.412 21 H GLN 3 HN GLN 3 -7.804 -4.757 -6.005 22 HA GLN 3 HA GLN 3 -10.078 -4.228 -7.447 23 HB2 GLN 3 HB2 GLN 3 -9.791 -4.397 -4.441 24 HB3 GLN 3 HB1 GLN 3 -11.313 -4.522 -5.317 25 HG2 GLN 3 HG2 GLN 3 -10.601 -6.547 -6.384 26 HG3 GLN 3 HG1 GLN 3 -8.980 -6.383 -5.719 27 HE21 GLN 3 HE21 GLN 3 -11.983 -5.817 -3.980 28 HE22 GLN 3 HE22 GLN 3 -11.793 -7.129 -2.866 29 H SER 4 HN SER 4 -8.688 -2.204 -4.843 30 HA SER 4 HA SER 4 -9.387 0.218 -6.074 31 HB2 SER 4 HB2 SER 4 -11.497 0.696 -5.305 32 HB3 SER 4 HB1 SER 4 -11.579 -1.013 -4.980 33 HG SER 4 HG SER 4 -10.406 0.582 -3.020 34 H CYS 5 HN CYS 5 -8.865 2.076 -4.671 35 HA CYS 5 HA CYS 5 -6.714 1.488 -2.866 36 HB2 CYS 5 HB2 CYS 5 -7.874 4.228 -3.158 37 HB3 CYS 5 HB1 CYS 5 -6.187 3.740 -3.032 38 H SER 6 HN SER 6 -6.795 3.190 -0.835 39 HA SER 6 HA SER 6 -8.826 2.090 0.881 40 HB2 SER 6 HB2 SER 6 -6.348 2.553 1.452 41 HB3 SER 6 HB1 SER 6 -6.846 4.230 1.658 42 HG SER 6 HG SER 6 -7.648 1.955 3.133 43 H ALA 7 HN ALA 7 -9.055 4.476 -1.275 44 HA ALA 7 HA ALA 7 -10.264 6.544 0.339 45 HB1 ALA 7 HB1 ALA 7 -8.984 6.977 -1.771 46 HB2 ALA 7 HB2 ALA 7 -10.572 7.744 -1.691 47 HB3 ALA 7 HB3 ALA 7 -10.341 6.287 -2.659 48 H TYR 8 HN TYR 8 -12.451 7.409 -0.757 49 HA TYR 8 HA TYR 8 -14.328 5.177 -0.460 50 HB2 TYR 8 HB2 TYR 8 -14.664 6.875 1.205 51 HB3 TYR 8 HB1 TYR 8 -14.633 8.153 -0.000 52 HD1 TYR 8 HD1 TYR 8 -16.525 5.040 -0.563 53 HD2 TYR 8 HD2 TYR 8 -16.742 9.086 0.735 54 HE1 TYR 8 HE1 TYR 8 -18.970 4.954 -0.736 55 HE2 TYR 8 HE2 TYR 8 -19.194 9.012 0.560 56 HH TYR 8 HH TYR 8 -20.910 7.634 -0.777 57 H GLY 9 HN GLY 9 -14.237 4.453 -2.625 58 HA2 GLY 9 HA2 GLY 9 -15.780 4.440 -4.486 59 HA3 GLY 9 HA1 GLY 9 -15.754 6.193 -4.450 60 H CYS 10 HN CYS 10 -12.632 5.095 -4.020 61 HA CYS 10 HA CYS 10 -11.990 5.781 -6.753 62 HB2 CYS 10 HB2 CYS 10 -10.656 6.769 -4.936 63 HB3 CYS 10 HB1 CYS 10 -10.117 5.158 -4.468 64 H LYS 11 HN LYS 11 -13.046 3.769 -7.537 65 HA LYS 11 HA LYS 11 -11.520 1.327 -7.140 66 HB2 LYS 11 HB2 LYS 11 -13.811 1.883 -9.039 67 HB3 LYS 11 HB1 LYS 11 -13.149 0.301 -8.656 68 HG2 LYS 11 HG2 LYS 11 -13.797 0.796 -6.241 69 HG3 LYS 11 HG1 LYS 11 -14.745 2.132 -6.896 70 HD2 LYS 11 HD2 LYS 11 -16.306 0.430 -6.821 71 HD3 LYS 11 HD1 LYS 11 -15.721 0.311 -8.480 72 HE2 LYS 11 HE2 LYS 11 -14.074 -1.411 -7.628 73 HE3 LYS 11 HE1 LYS 11 -15.003 -1.416 -6.129 74 HZ1 LYS 11 HZ1 LYS 11 -15.726 -2.443 -8.771 75 HZ2 LYS 11 HZ2 LYS 11 -16.969 -1.805 -7.816 76 HZ3 LYS 11 HZ3 LYS 11 -16.035 -3.092 -7.238 77 H ASN 12 HN ASN 12 -9.877 3.210 -7.989 78 HA ASN 12 HA ASN 12 -9.584 3.313 -10.853 79 HB2 ASN 12 HB2 ASN 12 -8.011 4.322 -8.540 80 HB3 ASN 12 HB1 ASN 12 -7.361 4.411 -10.168 81 HD21 ASN 12 HD21 ASN 12 -7.358 6.687 -10.018 82 HD22 ASN 12 HD22 ASN 12 -8.813 7.599 -10.208 83 H ARG 13 HN ARG 13 -9.607 0.780 -10.152 84 HA ARG 13 HA ARG 13 -7.584 -0.829 -9.548 85 HB2 ARG 13 HB2 ARG 13 -9.817 -1.287 -10.832 86 HB3 ARG 13 HB1 ARG 13 -8.828 -1.178 -12.267 87 HG2 ARG 13 HG2 ARG 13 -8.720 -3.221 -10.072 88 HG3 ARG 13 HG1 ARG 13 -9.054 -3.466 -11.784 89 HD2 ARG 13 HD2 ARG 13 -6.604 -2.486 -12.035 90 HD3 ARG 13 HD1 ARG 13 -6.461 -3.063 -10.379 91 HE ARG 13 HE ARG 13 -7.390 -5.251 -11.479 92 HH11 ARG 13 HH11 ARG 13 -5.063 -3.037 -12.885 93 HH12 ARG 13 HH12 ARG 13 -4.175 -4.289 -13.685 94 HH21 ARG 13 HH21 ARG 13 -6.221 -6.894 -12.535 95 HH22 ARG 13 HH22 ARG 13 -4.828 -6.485 -13.489 96 H TYR 14 HN TYR 14 -5.488 -1.102 -10.111 97 HA TYR 14 HA TYR 14 -3.826 0.554 -11.339 98 HB2 TYR 14 HB2 TYR 14 -3.583 -2.026 -10.464 99 HB3 TYR 14 HB1 TYR 14 -3.206 -2.185 -12.175 100 HD1 TYR 14 HD1 TYR 14 -1.705 0.251 -12.796 101 HD2 TYR 14 HD2 TYR 14 -1.617 -2.174 -9.293 102 HE1 TYR 14 HE1 TYR 14 0.573 1.022 -12.317 103 HE2 TYR 14 HE2 TYR 14 0.671 -1.411 -8.818 104 HH TYR 14 HH TYR 14 2.498 -0.393 -9.761 105 H ASP 15 HN ASP 15 -4.088 1.611 -13.134 106 HA ASP 15 HA ASP 15 -4.417 0.135 -15.651 107 HB2 ASP 15 HB2 ASP 15 -6.557 1.094 -15.423 108 HB3 ASP 15 HB1 ASP 15 -5.924 2.564 -14.697 109 H LYS 16 HN LYS 16 -2.603 0.350 -16.644 110 HA LYS 16 HA LYS 16 -0.585 2.174 -16.031 111 HB2 LYS 16 HB2 LYS 16 0.632 0.833 -17.352 112 HB3 LYS 16 HB1 LYS 16 -0.828 -0.131 -17.508 113 HG2 LYS 16 HG2 LYS 16 -1.321 1.616 -19.444 114 HG3 LYS 16 HG1 LYS 16 0.442 1.700 -19.456 115 HD2 LYS 16 HD2 LYS 16 0.650 -0.593 -19.932 116 HD3 LYS 16 HD1 LYS 16 -1.040 -0.912 -19.532 117 HE2 LYS 16 HE2 LYS 16 -0.384 0.976 -21.752 118 HE3 LYS 16 HE1 LYS 16 -0.261 -0.759 -22.032 119 HZ1 LYS 16 HZ1 LYS 16 -2.674 0.808 -21.300 120 HZ2 LYS 16 HZ2 LYS 16 -2.612 -0.878 -21.139 121 HZ3 LYS 16 HZ3 LYS 16 -2.422 -0.169 -22.662 122 H ASP 17 HN ASP 17 -3.266 2.447 -18.231 123 HA ASP 17 HA ASP 17 -2.137 4.502 -19.850 124 HB2 ASP 17 HB2 ASP 17 -4.846 3.330 -19.471 125 HB3 ASP 17 HB1 ASP 17 -4.736 4.914 -20.237 126 H LYS 18 HN LYS 18 -3.856 4.385 -16.847 127 HA LYS 18 HA LYS 18 -4.254 7.261 -16.775 128 HB2 LYS 18 HB2 LYS 18 -5.817 6.867 -15.203 129 HB3 LYS 18 HB1 LYS 18 -5.690 5.198 -15.735 130 HG2 LYS 18 HG2 LYS 18 -3.929 4.922 -13.917 131 HG3 LYS 18 HG1 LYS 18 -4.483 6.481 -13.312 132 HD2 LYS 18 HD2 LYS 18 -5.844 3.840 -13.285 133 HD3 LYS 18 HD1 LYS 18 -5.804 5.100 -12.057 134 HE2 LYS 18 HE2 LYS 18 -7.954 5.368 -12.709 135 HE3 LYS 18 HE1 LYS 18 -7.213 6.378 -13.949 136 HZ1 LYS 18 HZ1 LYS 18 -8.178 3.586 -14.209 137 HZ2 LYS 18 HZ2 LYS 18 -7.174 4.306 -15.365 138 HZ3 LYS 18 HZ3 LYS 18 -8.703 4.955 -15.055 139 HA PRO 19 HA PRO 19 -0.377 7.968 -14.811 140 HB2 PRO 19 HB2 PRO 19 -0.750 10.497 -13.945 141 HB3 PRO 19 HB1 PRO 19 -0.605 10.101 -15.666 142 HG2 PRO 19 HG2 PRO 19 -3.043 10.678 -14.070 143 HG3 PRO 19 HG1 PRO 19 -2.628 11.175 -15.723 144 HD2 PRO 19 HD2 PRO 19 -4.295 9.081 -15.127 145 HD3 PRO 19 HD1 PRO 19 -3.373 9.229 -16.634 146 H VAL 20 HN VAL 20 -1.033 6.296 -13.106 147 HA VAL 20 HA VAL 20 -0.729 7.575 -10.525 148 HB VAL 20 HB VAL 20 -2.466 6.564 -9.341 149 HG11 VAL 20 HG11 VAL 20 -3.436 8.398 -10.386 150 HG12 VAL 20 HG12 VAL 20 -4.596 7.088 -10.616 151 HG13 VAL 20 HG13 VAL 20 -3.540 7.575 -11.943 152 HG21 VAL 20 HG21 VAL 20 -2.897 4.775 -11.707 153 HG22 VAL 20 HG22 VAL 20 -4.073 4.932 -10.399 154 HG23 VAL 20 HG23 VAL 20 -2.449 4.340 -10.056 155 H SER 21 HN SER 21 0.177 6.258 -8.968 156 HA SER 21 HA SER 21 1.157 3.635 -9.893 157 HB2 SER 21 HB2 SER 21 3.133 4.263 -8.269 158 HB3 SER 21 HB1 SER 21 3.121 4.910 -9.910 159 HG SER 21 HG SER 21 3.113 6.806 -9.031 160 H PHE 22 HN PHE 22 1.677 2.167 -7.977 161 HA PHE 22 HA PHE 22 -0.238 2.760 -5.829 162 HB2 PHE 22 HB2 PHE 22 0.358 0.298 -7.331 163 HB3 PHE 22 HB1 PHE 22 0.170 0.071 -5.597 164 HD1 PHE 22 HD2 PHE 22 -1.963 0.672 -4.496 165 HD2 PHE 22 HD1 PHE 22 -1.514 0.794 -8.729 166 HE1 PHE 22 HE2 PHE 22 -4.414 0.688 -4.754 167 HE2 PHE 22 HE1 PHE 22 -3.972 0.803 -8.995 168 HZ PHE 22 HZ PHE 22 -5.415 0.754 -7.001 169 H HIS 23 HN HIS 23 0.256 1.879 -3.719 170 HA HIS 23 HA HIS 23 3.023 1.364 -2.956 171 HB2 HIS 23 HB2 HIS 23 1.982 3.492 -1.285 172 HB3 HIS 23 HB1 HIS 23 3.551 3.356 -2.047 173 HD1 HIS 23 HD1 HIS 23 0.058 4.421 -2.843 174 HD2 HIS 23 HD2 HIS 23 3.944 5.146 -4.081 175 HE1 HIS 23 HE1 HIS 23 -0.134 6.266 -4.489 176 HE2 HIS 23 HE2 HIS 23 2.265 6.796 -5.158 177 H LYS 24 HN LYS 24 3.037 1.368 -0.394 178 HA LYS 24 HA LYS 24 0.499 0.105 0.424 179 HB2 LYS 24 HB2 LYS 24 3.342 -0.530 0.954 180 HB3 LYS 24 HB1 LYS 24 2.293 -0.631 2.362 181 HG2 LYS 24 HG2 LYS 24 1.018 -2.338 1.454 182 HG3 LYS 24 HG1 LYS 24 1.522 -1.973 -0.198 183 HD2 LYS 24 HD2 LYS 24 2.574 -4.019 0.585 184 HD3 LYS 24 HD1 LYS 24 3.781 -2.762 0.327 185 HE2 LYS 24 HE2 LYS 24 3.632 -2.272 2.797 186 HE3 LYS 24 HE1 LYS 24 2.656 -3.732 2.947 187 HZ1 LYS 24 HZ1 LYS 24 4.660 -4.794 1.700 188 HZ2 LYS 24 HZ2 LYS 24 4.745 -4.530 3.370 189 HZ3 LYS 24 HZ3 LYS 24 5.508 -3.460 2.308 190 H PHE 25 HN PHE 25 0.067 0.491 2.907 191 HA PHE 25 HA PHE 25 -0.087 3.245 3.457 192 HB2 PHE 25 HB2 PHE 25 -0.603 0.759 4.941 193 HB3 PHE 25 HB1 PHE 25 -0.090 2.091 5.957 194 HD1 PHE 25 HD2 PHE 25 -2.560 1.354 3.272 195 HD2 PHE 25 HD1 PHE 25 -1.688 3.527 6.810 196 HE1 PHE 25 HE2 PHE 25 -4.859 2.240 3.287 197 HE2 PHE 25 HE1 PHE 25 -3.988 4.396 6.847 198 HZ PHE 25 HZ PHE 25 -5.573 3.754 5.085 199 HA PRO 26 HA PRO 26 3.871 4.247 5.259 200 HB2 PRO 26 HB2 PRO 26 3.137 6.034 7.169 201 HB3 PRO 26 HB1 PRO 26 3.041 6.432 5.444 202 HG2 PRO 26 HG2 PRO 26 0.884 5.473 7.268 203 HG3 PRO 26 HG1 PRO 26 0.857 6.837 6.135 204 HD2 PRO 26 HD2 PRO 26 -0.227 4.503 5.471 205 HD3 PRO 26 HD1 PRO 26 0.663 5.463 4.281 206 H LEU 27 HN LEU 27 3.776 1.924 6.083 207 HA LEU 27 HA LEU 27 2.817 1.376 8.691 208 HB2 LEU 27 HB2 LEU 27 4.610 -0.021 6.755 209 HB3 LEU 27 HB1 LEU 27 4.451 -0.629 8.391 210 HG LEU 27 HG LEU 27 2.212 -0.290 6.377 211 HD11 LEU 27 HD11 LEU 27 3.659 -2.686 7.490 212 HD12 LEU 27 HD12 LEU 27 3.466 -2.204 5.805 213 HD13 LEU 27 HD13 LEU 27 2.079 -2.799 6.714 214 HD21 LEU 27 HD21 LEU 27 2.233 -0.650 9.299 215 HD22 LEU 27 HD22 LEU 27 1.154 -1.726 8.405 216 HD23 LEU 27 HD23 LEU 27 0.997 0.026 8.241 217 H THR 28 HN THR 28 5.717 2.685 7.429 218 HA THR 28 HA THR 28 7.131 2.385 9.939 219 HB THR 28 HB THR 28 9.035 3.292 8.755 220 HG1 THR 28 HG1 THR 28 8.188 3.577 6.268 221 HG21 THR 28 HG21 THR 28 9.128 1.684 6.838 222 HG22 THR 28 HG22 THR 28 7.413 1.342 7.111 223 HG23 THR 28 HG23 THR 28 8.603 0.954 8.358 224 H ARG 29 HN ARG 29 4.722 4.234 9.099 225 HA ARG 29 HA ARG 29 5.573 6.537 10.693 226 HB2 ARG 29 HB2 ARG 29 4.831 6.516 7.837 227 HB3 ARG 29 HB1 ARG 29 3.886 7.638 8.791 228 HG2 ARG 29 HG2 ARG 29 6.873 7.634 8.896 229 HG3 ARG 29 HG1 ARG 29 5.983 8.480 7.625 230 HD2 ARG 29 HD2 ARG 29 5.619 10.184 8.987 231 HD3 ARG 29 HD1 ARG 29 4.792 9.113 10.116 232 HE ARG 29 HE ARG 29 6.674 9.032 11.413 233 HH11 ARG 29 HH11 ARG 29 7.429 10.598 8.379 234 HH12 ARG 29 HH12 ARG 29 9.012 11.099 8.879 235 HH21 ARG 29 HH21 ARG 29 8.760 9.665 12.080 236 HH22 ARG 29 HH22 ARG 29 9.780 10.555 10.994 237 HA PRO 30 HA PRO 30 1.552 4.118 11.608 238 HB2 PRO 30 HB2 PRO 30 2.005 4.556 14.340 239 HB3 PRO 30 HB1 PRO 30 2.256 3.050 13.442 240 HG2 PRO 30 HG2 PRO 30 4.224 5.114 14.249 241 HG3 PRO 30 HG1 PRO 30 4.434 3.367 14.051 242 HD2 PRO 30 HD2 PRO 30 5.388 5.090 12.264 243 HD3 PRO 30 HD1 PRO 30 4.722 3.518 11.777 244 H SER 31 HN SER 31 2.573 6.852 13.758 245 HA SER 31 HA SER 31 0.020 7.738 14.384 246 HB2 SER 31 HB2 SER 31 2.017 9.871 13.908 247 HB3 SER 31 HB1 SER 31 1.099 9.486 15.363 248 HG SER 31 HG SER 31 3.090 8.881 15.916 249 H LEU 32 HN LEU 32 2.088 8.666 11.688 250 HA LEU 32 HA LEU 32 0.238 10.410 10.466 251 HB2 LEU 32 HB2 LEU 32 2.647 10.474 10.045 252 HB3 LEU 32 HB1 LEU 32 2.595 8.863 9.378 253 HG LEU 32 HG LEU 32 2.736 10.988 7.844 254 HD11 LEU 32 HD11 LEU 32 1.763 9.703 6.047 255 HD12 LEU 32 HD12 LEU 32 0.978 8.643 7.219 256 HD13 LEU 32 HD13 LEU 32 2.741 8.681 7.107 257 HD21 LEU 32 HD21 LEU 32 -0.202 10.715 8.378 258 HD22 LEU 32 HD22 LEU 32 0.468 11.527 6.960 259 HD23 LEU 32 HD23 LEU 32 0.814 12.145 8.579 260 H CYS 33 HN CYS 33 0.833 6.964 10.337 261 HA CYS 33 HA CYS 33 -0.657 6.278 8.023 262 HB2 CYS 33 HB2 CYS 33 0.898 4.751 9.258 263 HB3 CYS 33 HB1 CYS 33 -0.233 4.748 10.618 264 HG CYS 33 HG CYS 33 -2.228 3.772 8.514 265 H LYS 34 HN LYS 34 -1.356 6.885 11.326 266 HA LYS 34 HA LYS 34 -3.954 5.846 11.443 267 HB2 LYS 34 HB2 LYS 34 -2.895 5.984 13.458 268 HB3 LYS 34 HB1 LYS 34 -2.196 7.553 13.102 269 HG2 LYS 34 HG2 LYS 34 -4.851 8.147 13.168 270 HG3 LYS 34 HG1 LYS 34 -4.714 6.894 14.410 271 HD2 LYS 34 HD2 LYS 34 -2.516 8.353 14.968 272 HD3 LYS 34 HD1 LYS 34 -3.581 9.617 14.332 273 HE2 LYS 34 HE2 LYS 34 -3.967 9.566 16.663 274 HE3 LYS 34 HE1 LYS 34 -5.350 8.763 15.922 275 HZ1 LYS 34 HZ1 LYS 34 -4.533 7.559 17.859 276 HZ2 LYS 34 HZ2 LYS 34 -3.012 7.384 17.134 277 HZ3 LYS 34 HZ3 LYS 34 -4.366 6.633 16.453 278 H GLU 35 HN GLU 35 -2.738 9.062 10.463 279 HA GLU 35 HA GLU 35 -5.387 10.165 10.821 280 HB2 GLU 35 HB2 GLU 35 -4.390 11.965 9.160 281 HB3 GLU 35 HB1 GLU 35 -4.066 11.983 10.875 282 HG2 GLU 35 HG2 GLU 35 -2.004 10.544 10.230 283 HG3 GLU 35 HG1 GLU 35 -2.276 11.244 8.635 284 H TRP 36 HN TRP 36 -3.787 8.295 8.444 285 HA TRP 36 HA TRP 36 -5.294 9.123 6.206 286 HB2 TRP 36 HB2 TRP 36 -4.043 6.437 6.839 287 HB3 TRP 36 HB1 TRP 36 -4.779 6.838 5.289 288 HD1 TRP 36 HD1 TRP 36 -2.628 9.384 7.153 289 HE1 TRP 36 HE1 TRP 36 -0.496 9.840 5.800 290 HE3 TRP 36 HE3 TRP 36 -3.178 5.793 3.526 291 HZ2 TRP 36 HZ2 TRP 36 0.798 8.809 3.531 292 HZ3 TRP 36 HZ3 TRP 36 -1.440 5.618 1.791 293 HH2 TRP 36 HH2 TRP 36 0.517 7.088 1.807 294 H GLU 37 HN GLU 37 -5.926 7.117 8.965 295 HA GLU 37 HA GLU 37 -8.280 5.839 8.028 296 HB2 GLU 37 HB2 GLU 37 -7.850 6.617 10.908 297 HB3 GLU 37 HB1 GLU 37 -8.671 5.197 10.270 298 HG2 GLU 37 HG2 GLU 37 -5.773 5.480 9.710 299 HG3 GLU 37 HG1 GLU 37 -6.266 5.126 11.360 300 H ALA 38 HN ALA 38 -7.539 8.935 9.446 301 HA ALA 38 HA ALA 38 -10.136 9.780 10.104 302 HB1 ALA 38 HB1 ALA 38 -9.180 12.024 10.222 303 HB2 ALA 38 HB2 ALA 38 -7.708 11.430 9.450 304 HB3 ALA 38 HB3 ALA 38 -8.166 10.840 11.046 305 H ALA 39 HN ALA 39 -8.431 9.542 7.133 306 HA ALA 39 HA ALA 39 -10.201 11.389 5.753 307 HB1 ALA 39 HB1 ALA 39 -7.810 9.764 4.970 308 HB2 ALA 39 HB2 ALA 39 -8.061 11.508 4.857 309 HB3 ALA 39 HB3 ALA 39 -8.878 10.422 3.732 310 H VAL 40 HN VAL 40 -9.844 8.005 6.424 311 HA VAL 40 HA VAL 40 -11.786 7.191 4.387 312 HB VAL 40 HB VAL 40 -10.769 5.346 6.495 313 HG11 VAL 40 HG11 VAL 40 -11.269 4.996 3.553 314 HG12 VAL 40 HG12 VAL 40 -12.393 4.573 4.845 315 HG13 VAL 40 HG13 VAL 40 -10.854 3.722 4.694 316 HG21 VAL 40 HG21 VAL 40 -8.692 4.942 5.423 317 HG22 VAL 40 HG22 VAL 40 -8.804 6.686 5.648 318 HG23 VAL 40 HG23 VAL 40 -9.117 5.981 4.063 319 H ARG 41 HN ARG 41 -12.870 8.940 6.035 320 HA ARG 41 HA ARG 41 -14.036 8.086 8.424 321 HB2 ARG 41 HB2 ARG 41 -15.302 10.076 8.366 322 HB3 ARG 41 HB1 ARG 41 -13.772 10.446 7.592 323 HG2 ARG 41 HG2 ARG 41 -16.264 9.760 6.051 324 HG3 ARG 41 HG1 ARG 41 -15.822 11.405 6.501 325 HD2 ARG 41 HD2 ARG 41 -13.570 10.866 5.347 326 HD3 ARG 41 HD1 ARG 41 -14.454 9.533 4.603 327 HE ARG 41 HE ARG 41 -16.062 11.566 4.027 328 HH11 ARG 41 HH11 ARG 41 -12.576 11.302 3.769 329 HH12 ARG 41 HH12 ARG 41 -12.459 12.449 2.474 330 HH21 ARG 41 HH21 ARG 41 -15.919 13.063 2.320 331 HH22 ARG 41 HH22 ARG 41 -14.374 13.452 1.635 332 H ARG 42 HN ARG 42 -14.756 6.765 5.481 333 HA ARG 42 HA ARG 42 -17.620 6.723 5.725 334 HB2 ARG 42 HB2 ARG 42 -16.153 6.453 3.579 335 HB3 ARG 42 HB1 ARG 42 -16.090 4.764 4.055 336 HG2 ARG 42 HG2 ARG 42 -17.863 5.117 2.448 337 HG3 ARG 42 HG1 ARG 42 -18.535 4.657 4.010 338 HD2 ARG 42 HD2 ARG 42 -18.826 7.168 4.422 339 HD3 ARG 42 HD1 ARG 42 -18.526 7.361 2.695 340 HE ARG 42 HE ARG 42 -20.478 5.793 2.410 341 HH11 ARG 42 HH11 ARG 42 -20.183 7.867 5.230 342 HH12 ARG 42 HH12 ARG 42 -21.887 7.893 5.532 343 HH21 ARG 42 HH21 ARG 42 -22.713 5.835 2.822 344 HH22 ARG 42 HH22 ARG 42 -23.327 6.746 4.163 345 H LYS 43 HN LYS 43 -18.931 5.069 6.397 346 HA LYS 43 HA LYS 43 -18.181 3.501 8.541 347 HB2 LYS 43 HB2 LYS 43 -20.375 3.031 8.605 348 HB3 LYS 43 HB1 LYS 43 -20.537 4.017 7.163 349 HG2 LYS 43 HG2 LYS 43 -19.830 1.636 6.080 350 HG3 LYS 43 HG1 LYS 43 -20.733 1.110 7.499 351 HD2 LYS 43 HD2 LYS 43 -22.573 2.674 6.765 352 HD3 LYS 43 HD1 LYS 43 -21.672 2.899 5.262 353 HE2 LYS 43 HE2 LYS 43 -21.829 0.541 4.765 354 HE3 LYS 43 HE1 LYS 43 -22.613 0.235 6.313 355 HZ1 LYS 43 HZ1 LYS 43 -24.184 0.323 4.461 356 HZ2 LYS 43 HZ2 LYS 43 -23.737 1.924 4.148 357 HZ3 LYS 43 HZ3 LYS 43 -24.495 1.529 5.604 358 H ASN 44 HN ASN 44 -18.266 2.699 5.130 359 HA ASN 44 HA ASN 44 -17.320 0.020 5.654 360 HB2 ASN 44 HB2 ASN 44 -17.320 0.005 3.028 361 HB3 ASN 44 HB1 ASN 44 -18.835 -0.094 3.917 362 HD21 ASN 44 HD21 ASN 44 -16.935 1.729 1.741 363 HD22 ASN 44 HD22 ASN 44 -18.085 2.993 1.470 364 H PHE 45 HN PHE 45 -15.470 1.255 6.688 365 HA PHE 45 HA PHE 45 -13.399 2.461 5.296 366 HB2 PHE 45 HB2 PHE 45 -13.613 2.187 7.798 367 HB3 PHE 45 HB1 PHE 45 -13.133 0.510 7.611 368 HD1 PHE 45 HD1 PHE 45 -10.843 0.089 6.533 369 HD2 PHE 45 HD2 PHE 45 -12.006 3.823 8.183 370 HE1 PHE 45 HE1 PHE 45 -8.484 0.706 6.755 371 HE2 PHE 45 HE2 PHE 45 -9.650 4.463 8.406 372 HZ PHE 45 HZ PHE 45 -7.877 2.910 7.691 373 H LYS 46 HN LYS 46 -12.032 1.773 3.808 374 HA LYS 46 HA LYS 46 -12.257 -0.812 2.643 375 HB2 LYS 46 HB2 LYS 46 -11.184 1.722 1.982 376 HB3 LYS 46 HB1 LYS 46 -9.904 0.533 1.766 377 HG2 LYS 46 HG2 LYS 46 -10.813 -0.148 -0.135 378 HG3 LYS 46 HG1 LYS 46 -12.327 -0.510 0.686 379 HD2 LYS 46 HD2 LYS 46 -12.560 2.150 0.515 380 HD3 LYS 46 HD1 LYS 46 -11.563 1.854 -0.911 381 HE2 LYS 46 HE2 LYS 46 -14.311 0.830 -0.284 382 HE3 LYS 46 HE1 LYS 46 -13.756 1.717 -1.702 383 HZ1 LYS 46 HZ1 LYS 46 -12.993 -1.071 -1.019 384 HZ2 LYS 46 HZ2 LYS 46 -12.496 -0.215 -2.393 385 HZ3 LYS 46 HZ3 LYS 46 -14.125 -0.623 -2.192 386 HA PRO 47 HA PRO 47 -9.060 -3.323 4.354 387 HB2 PRO 47 HB2 PRO 47 -7.087 -2.741 2.205 388 HB3 PRO 47 HB1 PRO 47 -7.648 -4.301 2.832 389 HG2 PRO 47 HG2 PRO 47 -8.501 -3.419 0.487 390 HG3 PRO 47 HG1 PRO 47 -9.605 -4.254 1.601 391 HD2 PRO 47 HD2 PRO 47 -9.396 -1.341 0.996 392 HD3 PRO 47 HD1 PRO 47 -10.833 -2.310 1.328 393 H THR 48 HN THR 48 -7.055 -3.358 5.432 394 HA THR 48 HA THR 48 -6.511 -0.833 6.636 395 HB THR 48 HB THR 48 -5.294 -2.066 8.261 396 HG1 THR 48 HG1 THR 48 -4.713 -4.254 7.908 397 HG21 THR 48 HG21 THR 48 -6.944 -3.523 9.012 398 HG22 THR 48 HG22 THR 48 -7.379 -3.994 7.366 399 HG23 THR 48 HG23 THR 48 -7.823 -2.395 7.973 400 H LYS 49 HN LYS 49 -4.048 -0.895 7.445 401 HA LYS 49 HA LYS 49 -2.611 0.302 5.400 402 HB2 LYS 49 HB2 LYS 49 -0.660 -0.103 7.123 403 HB3 LYS 49 HB1 LYS 49 -1.933 1.062 7.430 404 HG2 LYS 49 HG2 LYS 49 -2.715 -1.509 8.429 405 HG3 LYS 49 HG1 LYS 49 -1.127 -1.063 9.061 406 HD2 LYS 49 HD2 LYS 49 -2.406 0.005 10.608 407 HD3 LYS 49 HD1 LYS 49 -2.378 1.275 9.386 408 HE2 LYS 49 HE2 LYS 49 -4.522 0.535 8.529 409 HE3 LYS 49 HE1 LYS 49 -4.537 -0.814 9.658 410 HZ1 LYS 49 HZ1 LYS 49 -4.229 1.287 11.295 411 HZ2 LYS 49 HZ2 LYS 49 -5.713 0.570 10.925 412 HZ3 LYS 49 HZ3 LYS 49 -5.213 1.957 10.083 413 H TYR 50 HN TYR 50 -3.102 -3.007 5.740 414 HA TYR 50 HA TYR 50 -0.448 -3.726 4.835 415 HB2 TYR 50 HB2 TYR 50 -2.993 -5.260 5.188 416 HB3 TYR 50 HB1 TYR 50 -1.576 -5.970 4.434 417 HD1 TYR 50 HD1 TYR 50 0.595 -5.942 5.811 418 HD2 TYR 50 HD2 TYR 50 -3.273 -5.356 7.468 419 HE1 TYR 50 HE1 TYR 50 1.440 -6.681 7.994 420 HE2 TYR 50 HE2 TYR 50 -2.439 -6.087 9.675 421 HH TYR 50 HH TYR 50 -0.387 -7.760 10.351 422 H SER 51 HN SER 51 -3.575 -2.947 3.473 423 HA SER 51 HA SER 51 -2.973 -4.044 0.901 424 HB2 SER 51 HB2 SER 51 -4.971 -2.605 0.182 425 HB3 SER 51 HB1 SER 51 -5.261 -3.929 1.308 426 HG SER 51 HG SER 51 -5.414 -2.495 2.962 427 H SER 52 HN SER 52 -3.191 -2.410 -1.038 428 HA SER 52 HA SER 52 -1.128 -0.403 -0.562 429 HB2 SER 52 HB2 SER 52 -1.034 -0.798 -3.221 430 HB3 SER 52 HB1 SER 52 -0.133 -1.766 -2.055 431 HG SER 52 HG SER 52 -1.196 -3.420 -2.936 432 H ILE 53 HN ILE 53 -1.237 1.630 -1.487 433 HA ILE 53 HA ILE 53 -3.937 2.519 -2.291 434 HB ILE 53 HB ILE 53 -1.826 4.025 -0.701 435 HG12 ILE 53 HG12 ILE 53 -3.710 4.032 1.039 436 HG13 ILE 53 HG11 ILE 53 -4.444 2.757 0.082 437 HG21 ILE 53 HG21 ILE 53 -2.969 5.613 -2.050 438 HG22 ILE 53 HG22 ILE 53 -3.610 5.736 -0.404 439 HG23 ILE 53 HG23 ILE 53 -4.538 4.903 -1.650 440 HD11 ILE 53 HD11 ILE 53 -2.062 1.653 0.364 441 HD12 ILE 53 HD12 ILE 53 -3.308 1.506 1.603 442 HD13 ILE 53 HD13 ILE 53 -2.018 2.695 1.789 443 H CYS 54 HN CYS 54 -3.800 4.624 -3.691 444 HA CYS 54 HA CYS 54 -1.499 4.349 -5.476 445 HB2 CYS 54 HB2 CYS 54 -2.875 4.852 -7.348 446 HB3 CYS 54 HB1 CYS 54 -3.659 3.586 -6.432 447 H SER 55 HN SER 55 -0.886 6.206 -6.706 448 HA SER 55 HA SER 55 0.088 8.245 -5.197 449 HB2 SER 55 HB2 SER 55 0.540 9.363 -7.399 450 HB3 SER 55 HB1 SER 55 1.044 7.679 -7.284 451 HG SER 55 HG SER 55 -0.494 8.718 -9.100 452 H GLU 56 HN GLU 56 -2.562 8.761 -7.494 453 HA GLU 56 HA GLU 56 -3.075 11.380 -7.314 454 HB2 GLU 56 HB2 GLU 56 -5.560 10.645 -7.540 455 HB3 GLU 56 HB1 GLU 56 -4.397 10.217 -8.791 456 HG2 GLU 56 HG2 GLU 56 -4.616 8.046 -8.400 457 HG3 GLU 56 HG1 GLU 56 -4.530 8.256 -6.661 458 H HIS 57 HN HIS 57 -3.517 9.281 -4.618 459 HA HIS 57 HA HIS 57 -5.507 10.944 -3.351 460 HB2 HIS 57 HB2 HIS 57 -3.920 8.585 -2.351 461 HB3 HIS 57 HB1 HIS 57 -5.167 9.406 -1.409 462 HD1 HIS 57 HD1 HIS 57 -7.497 9.681 -3.146 463 HD2 HIS 57 HD2 HIS 57 -4.955 6.411 -3.484 464 HE1 HIS 57 HE1 HIS 57 -8.818 7.878 -4.334 465 H PHE 58 HN PHE 58 -2.054 10.948 -3.438 466 HA PHE 58 HA PHE 58 -2.104 13.002 -1.335 467 HB2 PHE 58 HB2 PHE 58 0.496 11.871 -1.307 468 HB3 PHE 58 HB1 PHE 58 -0.719 11.825 -0.021 469 HD1 PHE 58 HD1 PHE 58 0.650 10.082 -2.913 470 HD2 PHE 58 HD2 PHE 58 -1.875 9.782 0.481 471 HE1 PHE 58 HE1 PHE 58 0.567 7.662 -3.211 472 HE2 PHE 58 HE2 PHE 58 -1.968 7.344 0.198 473 HZ PHE 58 HZ PHE 58 -0.741 6.275 -1.652 474 H THR 59 HN THR 59 -0.274 14.467 -1.442 475 HA THR 59 HA THR 59 0.124 15.384 -4.112 476 HB THR 59 HB THR 59 1.773 16.946 -2.792 477 HG1 THR 59 HG1 THR 59 1.163 17.064 -0.575 478 HG21 THR 59 HG21 THR 59 -1.225 16.891 -2.628 479 HG22 THR 59 HG22 THR 59 -0.200 17.825 -3.721 480 HG23 THR 59 HG23 THR 59 -0.276 18.244 -2.009 481 HA PRO 60 HA PRO 60 3.748 13.268 -5.434 482 HB2 PRO 60 HB2 PRO 60 5.129 15.624 -6.224 483 HB3 PRO 60 HB1 PRO 60 4.099 14.614 -7.250 484 HG2 PRO 60 HG2 PRO 60 3.419 17.105 -5.787 485 HG3 PRO 60 HG1 PRO 60 2.870 16.544 -7.378 486 HD2 PRO 60 HD2 PRO 60 1.251 16.403 -5.304 487 HD3 PRO 60 HD1 PRO 60 1.357 15.036 -6.437 488 H ASP 61 HN ASP 61 4.006 16.181 -3.528 489 HA ASP 61 HA ASP 61 6.656 15.979 -2.642 490 HB2 ASP 61 HB2 ASP 61 4.419 16.928 -0.862 491 HB3 ASP 61 HB1 ASP 61 6.081 17.502 -0.930 492 H SER 62 HN SER 62 3.685 14.608 -1.326 493 HA SER 62 HA SER 62 5.143 13.256 0.807 494 HB2 SER 62 HB2 SER 62 2.729 14.446 0.814 495 HB3 SER 62 HB1 SER 62 2.247 12.786 0.449 496 HG SER 62 HG SER 62 2.645 12.280 2.439 497 H PHE 63 HN PHE 63 4.519 12.624 -2.320 498 HA PHE 63 HA PHE 63 3.266 10.316 -2.710 499 HB2 PHE 63 HB2 PHE 63 5.654 11.434 -3.983 500 HB3 PHE 63 HB1 PHE 63 5.419 9.717 -4.209 501 HD1 PHE 63 HD2 PHE 63 2.208 10.383 -4.005 502 HD2 PHE 63 HD1 PHE 63 5.472 11.501 -6.480 503 HE1 PHE 63 HE2 PHE 63 0.653 10.817 -5.823 504 HE2 PHE 63 HE1 PHE 63 3.911 11.943 -8.325 505 HZ PHE 63 HZ PHE 63 1.495 11.605 -7.999 506 H LYS 64 HN LYS 64 6.693 10.224 -1.578 507 HA LYS 64 HA LYS 64 6.256 7.910 -0.017 508 HB2 LYS 64 HB2 LYS 64 7.436 6.216 -1.408 509 HB3 LYS 64 HB1 LYS 64 5.919 6.747 -2.113 510 HG2 LYS 64 HG2 LYS 64 7.095 8.164 -3.684 511 HG3 LYS 64 HG1 LYS 64 8.636 7.758 -2.929 512 HD2 LYS 64 HD2 LYS 64 8.556 6.371 -4.797 513 HD3 LYS 64 HD1 LYS 64 8.034 5.325 -3.475 514 HE2 LYS 64 HE2 LYS 64 5.655 6.028 -4.126 515 HE3 LYS 64 HE1 LYS 64 6.379 6.614 -5.618 516 HZ1 LYS 64 HZ1 LYS 64 7.377 4.270 -5.749 517 HZ2 LYS 64 HZ2 LYS 64 5.749 4.475 -6.145 518 HZ3 LYS 64 HZ3 LYS 64 6.174 3.842 -4.630 519 H ARG 65 HN ARG 65 8.927 6.758 -0.978 520 HA ARG 65 HA ARG 65 10.600 8.008 0.897 521 HB2 ARG 65 HB2 ARG 65 12.434 6.672 -0.328 522 HB3 ARG 65 HB1 ARG 65 11.157 5.782 0.481 523 HG2 ARG 65 HG2 ARG 65 10.050 5.855 -1.902 524 HG3 ARG 65 HG1 ARG 65 11.714 6.100 -2.426 525 HD2 ARG 65 HD2 ARG 65 11.206 3.917 -0.485 526 HD3 ARG 65 HD1 ARG 65 10.621 3.681 -2.128 527 HE ARG 65 HE ARG 65 13.216 4.486 -2.431 528 HH11 ARG 65 HH11 ARG 65 11.625 1.876 -0.703 529 HH12 ARG 65 HH12 ARG 65 12.958 0.776 -0.859 530 HH21 ARG 65 HH21 ARG 65 14.981 3.029 -2.670 531 HH22 ARG 65 HH22 ARG 65 14.870 1.437 -1.999 532 H GLU 66 HN GLU 66 9.728 9.032 -2.155 533 HA GLU 66 HA GLU 66 12.197 10.412 -2.754 534 HB2 GLU 66 HB2 GLU 66 9.543 10.743 -4.195 535 HB3 GLU 66 HB1 GLU 66 11.150 11.139 -4.784 536 HG2 GLU 66 HG2 GLU 66 11.744 8.829 -4.925 537 HG3 GLU 66 HG1 GLU 66 10.240 8.353 -4.140 538 H SER 67 HN SER 67 10.071 10.849 -0.453 539 HA SER 67 HA SER 67 9.248 13.559 -0.730 540 HB2 SER 67 HB2 SER 67 7.937 12.122 0.639 541 HB3 SER 67 HB1 SER 67 9.330 11.593 1.565 542 HG SER 67 HG SER 67 8.335 13.031 2.845 543 H ASN 68 HN ASN 68 10.508 13.317 2.349 544 HA ASN 68 HA ASN 68 12.618 15.203 1.657 545 HB2 ASN 68 HB2 ASN 68 11.022 14.634 4.095 546 HB3 ASN 68 HB1 ASN 68 12.651 15.253 4.337 547 HD21 ASN 68 HD21 ASN 68 12.779 16.944 2.070 548 HD22 ASN 68 HD22 ASN 68 11.678 18.253 2.329 549 H ASN 69 HN ASN 69 12.506 12.737 4.256 550 HA ASN 69 HA ASN 69 15.343 12.272 3.795 551 HB2 ASN 69 HB2 ASN 69 14.686 12.573 6.107 552 HB3 ASN 69 HB1 ASN 69 13.521 11.258 5.987 553 HD21 ASN 69 HD21 ASN 69 14.330 9.798 7.364 554 HD22 ASN 69 HD22 ASN 69 15.907 9.104 7.260 555 H LYS 70 HN LYS 70 12.692 9.988 4.557 556 HA LYS 70 HA LYS 70 13.547 8.359 2.298 557 HB2 LYS 70 HB2 LYS 70 14.822 7.783 4.474 558 HB3 LYS 70 HB1 LYS 70 13.308 7.066 4.999 559 HG2 LYS 70 HG2 LYS 70 14.638 5.323 4.105 560 HG3 LYS 70 HG1 LYS 70 13.364 5.654 2.933 561 HD2 LYS 70 HD2 LYS 70 15.505 5.337 1.813 562 HD3 LYS 70 HD1 LYS 70 14.927 6.989 1.603 563 HE2 LYS 70 HE2 LYS 70 16.517 7.864 3.066 564 HE3 LYS 70 HE1 LYS 70 16.813 6.303 3.826 565 HZ1 LYS 70 HZ1 LYS 70 18.629 7.012 2.366 566 HZ2 LYS 70 HZ2 LYS 70 17.578 6.993 1.043 567 HZ3 LYS 70 HZ3 LYS 70 17.937 5.556 1.854 568 H LEU 71 HN LEU 71 11.057 9.676 4.011 569 HA LEU 71 HA LEU 71 9.169 7.907 2.727 570 HB2 LEU 71 HB2 LEU 71 9.789 7.523 5.439 571 HB3 LEU 71 HB1 LEU 71 8.231 8.322 5.412 572 HG LEU 71 HG LEU 71 8.874 5.567 4.894 573 HD11 LEU 71 HD11 LEU 71 6.508 5.284 5.233 574 HD12 LEU 71 HD12 LEU 71 6.236 7.007 4.987 575 HD13 LEU 71 HD13 LEU 71 7.135 6.452 6.398 576 HD21 LEU 71 HD21 LEU 71 8.887 6.031 2.550 577 HD22 LEU 71 HD22 LEU 71 7.440 7.034 2.677 578 HD23 LEU 71 HD23 LEU 71 7.332 5.292 2.936 579 H LEU 72 HN LEU 72 6.821 8.700 3.423 580 HA LEU 72 HA LEU 72 6.513 11.264 2.344 581 HB2 LEU 72 HB2 LEU 72 4.335 10.522 4.122 582 HB3 LEU 72 HB1 LEU 72 4.310 10.853 2.400 583 HG LEU 72 HG LEU 72 5.455 8.352 2.480 584 HD11 LEU 72 HD11 LEU 72 4.411 7.006 4.045 585 HD12 LEU 72 HD12 LEU 72 3.152 8.195 4.374 586 HD13 LEU 72 HD13 LEU 72 4.789 8.452 4.985 587 HD21 LEU 72 HD21 LEU 72 3.329 7.570 1.642 588 HD22 LEU 72 HD22 LEU 72 3.673 9.173 0.985 589 HD23 LEU 72 HD23 LEU 72 2.516 8.989 2.305 590 H LYS 73 HN LYS 73 5.460 13.124 3.369 591 HA LYS 73 HA LYS 73 6.853 13.858 5.748 592 HB2 LYS 73 HB2 LYS 73 4.838 15.747 5.437 593 HB3 LYS 73 HB1 LYS 73 6.488 15.880 4.868 594 HG2 LYS 73 HG2 LYS 73 4.336 14.629 3.197 595 HG3 LYS 73 HG1 LYS 73 4.595 16.370 3.230 596 HD2 LYS 73 HD2 LYS 73 6.572 14.257 2.372 597 HD3 LYS 73 HD1 LYS 73 5.743 15.409 1.333 598 HE2 LYS 73 HE2 LYS 73 7.758 16.080 3.472 599 HE3 LYS 73 HE1 LYS 73 8.054 16.059 1.735 600 HZ1 LYS 73 HZ1 LYS 73 6.602 17.892 1.428 601 HZ2 LYS 73 HZ2 LYS 73 7.622 18.302 2.710 602 HZ3 LYS 73 HZ3 LYS 73 6.034 17.814 3.018 603 H GLU 74 HN GLU 74 6.293 13.404 7.681 604 HA GLU 74 HA GLU 74 4.184 11.833 8.482 605 HB2 GLU 74 HB2 GLU 74 4.807 12.325 10.719 606 HB3 GLU 74 HB1 GLU 74 6.270 12.285 9.749 607 HG2 GLU 74 HG2 GLU 74 5.009 14.919 10.060 608 HG3 GLU 74 HG1 GLU 74 5.685 14.208 11.524 609 H ASN 75 HN ASN 75 4.152 15.181 7.854 610 HA ASN 75 HA ASN 75 1.642 15.538 9.322 611 HB2 ASN 75 HB2 ASN 75 3.800 17.337 8.416 612 HB3 ASN 75 HB1 ASN 75 2.165 17.982 8.351 613 HD21 ASN 75 HD21 ASN 75 2.928 15.572 10.692 614 HD22 ASN 75 HD22 ASN 75 2.951 16.612 12.071 615 H ALA 76 HN ALA 76 2.228 14.300 6.518 616 HA ALA 76 HA ALA 76 0.078 15.774 5.136 617 HB1 ALA 76 HB1 ALA 76 1.946 14.099 3.540 618 HB2 ALA 76 HB2 ALA 76 2.548 15.631 4.170 619 HB3 ALA 76 HB3 ALA 76 1.134 15.607 3.116 620 H VAL 77 HN VAL 77 -1.717 14.732 4.723 621 HA VAL 77 HA VAL 77 -1.666 11.802 4.575 622 HB VAL 77 HB VAL 77 -2.482 12.031 6.740 623 HG11 VAL 77 HG11 VAL 77 -3.844 13.721 7.621 624 HG12 VAL 77 HG12 VAL 77 -4.318 14.286 6.014 625 HG13 VAL 77 HG13 VAL 77 -2.666 14.534 6.585 626 HG21 VAL 77 HG21 VAL 77 -4.888 12.032 4.933 627 HG22 VAL 77 HG22 VAL 77 -4.975 11.704 6.662 628 HG23 VAL 77 HG23 VAL 77 -4.041 10.640 5.612 629 HA PRO 78 HA PRO 78 -3.742 12.258 0.697 630 HB2 PRO 78 HB2 PRO 78 -5.371 10.000 0.969 631 HB3 PRO 78 HB1 PRO 78 -3.716 9.997 0.333 632 HG2 PRO 78 HG2 PRO 78 -4.691 9.366 3.063 633 HG3 PRO 78 HG1 PRO 78 -3.402 8.601 2.110 634 HD2 PRO 78 HD2 PRO 78 -2.787 10.260 4.075 635 HD3 PRO 78 HD1 PRO 78 -1.883 10.314 2.547 636 H THR 79 HN THR 79 -5.085 13.984 0.733 637 HA THR 79 HA THR 79 -7.729 13.663 1.974 638 HB THR 79 HB THR 79 -6.255 15.634 2.619 639 HG1 THR 79 HG1 THR 79 -8.050 16.879 2.876 640 HG21 THR 79 HG21 THR 79 -7.053 16.613 -0.121 641 HG22 THR 79 HG22 THR 79 -5.416 16.190 0.387 642 HG23 THR 79 HG23 THR 79 -6.241 17.565 1.123 643 H ILE 80 HN ILE 80 -6.078 13.677 -0.940 644 HA ILE 80 HA ILE 80 -8.053 14.776 -2.681 645 HB ILE 80 HB ILE 80 -6.052 12.802 -3.678 646 HG12 ILE 80 HG12 ILE 80 -5.183 14.666 -1.874 647 HG13 ILE 80 HG11 ILE 80 -4.193 13.982 -3.155 648 HG21 ILE 80 HG21 ILE 80 -5.897 14.424 -5.525 649 HG22 ILE 80 HG22 ILE 80 -7.078 15.442 -4.700 650 HG23 ILE 80 HG23 ILE 80 -7.536 13.834 -5.265 651 HD11 ILE 80 HD11 ILE 80 -5.678 16.600 -3.238 652 HD12 ILE 80 HD12 ILE 80 -4.769 15.909 -4.582 653 HD13 ILE 80 HD13 ILE 80 -3.934 16.371 -3.102 654 H PHE 81 HN PHE 81 -8.368 12.174 -0.830 655 HA PHE 81 HA PHE 81 -8.960 9.926 -2.214 656 HB2 PHE 81 HB2 PHE 81 -10.265 11.163 0.175 657 HB3 PHE 81 HB1 PHE 81 -10.943 9.701 -0.522 658 HD1 PHE 81 HD2 PHE 81 -7.536 9.527 -1.148 659 HD2 PHE 81 HD1 PHE 81 -10.332 9.180 2.039 660 HE1 PHE 81 HE2 PHE 81 -5.941 8.140 0.092 661 HE2 PHE 81 HE1 PHE 81 -8.731 7.794 3.290 662 HZ PHE 81 HZ PHE 81 -6.523 7.277 2.313 663 H LEU 82 HN LEU 82 -11.490 12.364 -1.529 664 HA LEU 82 HA LEU 82 -12.579 12.127 -4.164 665 HB2 LEU 82 HB2 LEU 82 -13.423 10.253 -2.246 666 HB3 LEU 82 HB1 LEU 82 -14.720 11.414 -2.367 667 HG LEU 82 HG LEU 82 -14.461 9.190 -3.923 668 HD11 LEU 82 HD11 LEU 82 -16.344 10.977 -3.541 669 HD12 LEU 82 HD12 LEU 82 -16.378 9.893 -4.930 670 HD13 LEU 82 HD13 LEU 82 -15.813 11.549 -5.121 671 HD21 LEU 82 HD21 LEU 82 -13.632 11.457 -5.722 672 HD22 LEU 82 HD22 LEU 82 -13.800 9.749 -6.123 673 HD23 LEU 82 HD23 LEU 82 -12.494 10.279 -5.067 674 H GLU 83 HN GLU 83 -14.408 13.524 -4.459 675 HA GLU 83 HA GLU 83 -14.183 16.017 -3.249 676 HB2 GLU 83 HB2 GLU 83 -15.175 15.885 -5.399 677 HB3 GLU 83 HB1 GLU 83 -16.388 14.737 -4.858 678 HG2 GLU 83 HG2 GLU 83 -17.582 16.699 -5.059 679 HG3 GLU 83 HG1 GLU 83 -17.211 16.639 -3.340 680 H LEU 84 HN LEU 84 -16.794 13.634 -2.843 681 HA LEU 84 HA LEU 84 -16.989 14.120 -0.034 682 HB2 LEU 84 HB2 LEU 84 -18.290 16.002 -1.444 683 HB3 LEU 84 HB1 LEU 84 -19.534 14.767 -1.444 684 HG LEU 84 HG LEU 84 -19.887 16.384 0.338 685 HD11 LEU 84 HD11 LEU 84 -20.153 14.857 2.193 686 HD12 LEU 84 HD12 LEU 84 -19.039 13.713 1.440 687 HD13 LEU 84 HD13 LEU 84 -20.592 14.065 0.681 688 HD21 LEU 84 HD21 LEU 84 -18.328 16.557 2.218 689 HD22 LEU 84 HD22 LEU 84 -17.595 17.081 0.703 690 HD23 LEU 84 HD23 LEU 84 -17.198 15.502 1.371 691 H VAL 85 HN VAL 85 -19.286 13.213 -2.600 692 HA VAL 85 HA VAL 85 -19.168 10.442 -1.771 693 HB VAL 85 HB VAL 85 -20.897 11.127 -0.318 694 HG11 VAL 85 HG11 VAL 85 -22.214 12.564 -2.615 695 HG12 VAL 85 HG12 VAL 85 -21.289 13.335 -1.329 696 HG13 VAL 85 HG13 VAL 85 -22.790 12.490 -0.951 697 HG21 VAL 85 HG21 VAL 85 -22.905 10.017 -1.180 698 HG22 VAL 85 HG22 VAL 85 -21.444 9.093 -1.530 699 HG23 VAL 85 HG23 VAL 85 -22.216 10.040 -2.802 700 HA PRO 86 HA PRO 86 -19.401 10.068 -6.202 701 HB2 PRO 86 HB2 PRO 86 -20.135 7.260 -5.679 702 HB3 PRO 86 HB1 PRO 86 -18.711 7.913 -6.505 703 HG2 PRO 86 HG2 PRO 86 -18.558 6.765 -4.095 704 HG3 PRO 86 HG1 PRO 86 -17.499 8.102 -4.588 705 HD2 PRO 86 HD2 PRO 86 -19.881 8.155 -2.796 706 HD3 PRO 86 HD1 PRO 86 -18.362 9.060 -2.689 707 H ARG 87 HN ARG 87 -20.957 8.901 -7.793 708 HA ARG 87 HA ARG 87 -23.665 8.590 -6.875 709 HB2 ARG 87 HB2 ARG 87 -24.566 10.363 -8.389 710 HB3 ARG 87 HB1 ARG 87 -23.657 10.992 -7.024 711 HG2 ARG 87 HG2 ARG 87 -22.751 12.285 -8.623 712 HG3 ARG 87 HG1 ARG 87 -21.690 10.893 -8.831 713 HD2 ARG 87 HD2 ARG 87 -22.417 11.508 -11.001 714 HD3 ARG 87 HD1 ARG 87 -23.323 10.060 -10.567 715 HE ARG 87 HE ARG 87 -24.378 12.802 -10.666 716 HH11 ARG 87 HH11 ARG 87 -24.947 9.347 -10.374 717 HH12 ARG 87 HH12 ARG 87 -26.647 9.479 -10.692 718 HH21 ARG 87 HH21 ARG 87 -26.618 12.966 -11.071 719 HH22 ARG 87 HH22 ARG 87 -27.595 11.533 -11.083 720 H5' DG 1 H5' G 1 31.678 -1.297 -8.164 721 H5'' DG 1 H5'' G 1 30.803 -1.841 -9.606 722 H4' DG 1 H4' G 1 31.200 -3.784 -8.379 723 H3' DG 1 H3' G 1 28.654 -3.321 -8.955 724 H2' DG 1 H2' G 1 28.040 -2.022 -7.035 725 H2'' DG 1 H2'' G 1 27.570 -3.629 -6.503 726 H1' DG 1 H1' G 1 29.511 -3.914 -5.171 727 H8 DG 1 H8 G 1 29.258 -0.197 -6.231 728 H1 DG 1 H1 G 1 29.603 -1.328 0.073 729 H21 DG 1 H21 G 1 29.860 -4.658 -0.841 730 H22 DG 1 H22 G 1 29.813 -3.485 0.458 731 HO5' DG 1 H5T G 1 28.933 -1.041 -8.797 732 H5' DC 2 H5' C 2 29.404 -6.635 -5.828 733 H5'' DC 2 H5'' C 2 28.817 -8.074 -6.682 734 H4' DC 2 H4' C 2 28.718 -8.656 -4.436 735 H3' DC 2 H3' C 2 26.399 -8.827 -5.705 736 H2' DC 2 H2' C 2 25.566 -6.613 -5.331 737 H2'' DC 2 H2'' C 2 24.832 -7.466 -3.980 738 H1' DC 2 H1' C 2 26.436 -6.698 -2.424 739 H41 DC 2 H41 C 2 26.005 -0.447 -4.562 740 H42 DC 2 H42 C 2 26.106 -0.400 -2.821 741 H5 DC 2 H5 C 2 26.159 -2.515 -5.841 742 H6 DC 2 H6 C 2 26.442 -4.934 -5.683 743 H5' DT 3 H5' T 3 26.403 -9.214 -1.158 744 H5'' DT 3 H5'' T 3 25.865 -10.888 -0.919 745 H4' DT 3 H4' T 3 25.480 -9.858 1.131 746 H3' DT 3 H3' T 3 23.335 -10.948 0.017 747 H2' DT 3 H2' T 3 22.549 -9.078 -1.256 748 H2'' DT 3 H2'' T 3 21.608 -8.886 0.217 749 H1' DT 3 H1' T 3 23.034 -7.209 1.086 750 H3 DT 3 H3 T 3 23.134 -3.390 -1.201 751 H71 DT 3 H71 T 3 23.311 -7.412 -4.797 752 H72 DT 3 H72 T 3 21.970 -6.252 -4.938 753 H73 DT 3 H73 T 3 23.638 -5.726 -5.264 754 H6 DT 3 H6 T 3 23.366 -7.971 -2.512 755 H5' DT 4 H5' T 4 22.759 -8.329 3.715 756 H5'' DT 4 H5'' T 4 22.095 -9.466 4.904 757 H4' DT 4 H4' T 4 21.540 -7.358 5.723 758 H3' DT 4 H3' T 4 19.481 -8.983 5.356 759 H2' DT 4 H2' T 4 18.933 -8.434 3.089 760 H2'' DT 4 H2'' T 4 17.843 -7.368 3.960 761 H1' DT 4 H1' T 4 19.246 -5.469 3.669 762 H3 DT 4 H3 T 4 19.918 -4.068 -0.501 763 H71 DT 4 H71 T 4 19.717 -9.457 -0.549 764 H72 DT 4 H72 T 4 19.149 -8.485 -1.927 765 H73 DT 4 H73 T 4 20.893 -8.698 -1.647 766 H6 DT 4 H6 T 4 19.849 -8.390 1.514 767 H5' DG 5 H5' G 5 18.659 -4.499 6.509 768 H5'' DG 5 H5'' G 5 17.787 -4.763 8.030 769 H4' DG 5 H4' G 5 17.164 -2.623 7.403 770 H3' DG 5 H3' G 5 15.132 -4.301 7.667 771 H2' DG 5 H2' G 5 15.024 -5.161 5.437 772 H2'' DG 5 H2'' G 5 13.856 -3.850 5.334 773 H1' DG 5 H1' G 5 15.374 -2.381 4.261 774 H8 DG 5 H8 G 5 16.536 -6.066 4.163 775 H1 DG 5 H1 G 5 16.711 -2.908 -1.417 776 H21 DG 5 H21 G 5 15.807 -0.147 0.494 777 H22 DG 5 H22 G 5 16.202 -0.773 -1.095 778 H5' DT 6 H5' T 6 14.199 -0.208 5.772 779 H5'' DT 6 H5'' T 6 13.057 0.495 6.932 780 H4' DT 6 H4' T 6 12.644 1.649 4.961 781 H3' DT 6 H3' T 6 10.531 0.395 5.949 782 H2' DT 6 H2' T 6 10.787 -1.721 4.860 783 H2'' DT 6 H2'' T 6 9.674 -0.916 3.772 784 H1' DT 6 H1' T 6 11.403 -0.346 2.222 785 H3 DT 6 H3 T 6 13.513 -3.743 0.226 786 H71 DT 6 H71 T 6 12.479 -5.171 5.327 787 H72 DT 6 H72 T 6 13.746 -6.010 4.398 788 H73 DT 6 H73 T 6 12.031 -6.279 4.007 789 H6 DT 6 H6 T 6 12.037 -2.978 4.695 790 H5' DG 7 H5' G 7 10.402 2.522 1.883 791 H5'' DG 7 H5'' G 7 9.023 3.630 2.027 792 H4' DG 7 H4' G 7 9.369 3.454 -0.260 793 H3' DG 7 H3' G 7 6.942 2.752 0.536 794 H2' DG 7 H2' G 7 7.315 0.416 0.934 795 H2'' DG 7 H2'' G 7 6.706 0.379 -0.715 796 H1' DG 7 H1' G 7 8.872 0.161 -1.662 797 H8 DG 7 H8 G 7 9.198 -0.452 2.150 798 H1 DG 7 H1 G 7 10.868 -5.324 -1.666 799 H21 DG 7 H21 G 7 10.232 -3.101 -4.253 800 H22 DG 7 H22 G 7 10.748 -4.708 -3.787 801 H5' DT 8 H5' T 8 8.046 1.177 -3.718 802 H5'' DT 8 H5'' T 8 6.947 2.230 -4.629 803 H4' DT 8 H4' T 8 7.257 0.429 -6.056 804 H3' DT 8 H3' T 8 4.736 0.848 -5.335 805 H2' DT 8 H2' T 8 4.664 -0.525 -3.363 806 H2'' DT 8 H2'' T 8 4.037 -1.637 -4.569 807 H1' DT 8 H1' T 8 6.125 -2.738 -4.838 808 H3 DT 8 H3 T 8 7.441 -5.118 -1.351 809 H71 DT 8 H71 T 8 6.779 -0.938 1.235 810 H72 DT 8 H72 T 8 5.177 -0.621 0.525 811 H73 DT 8 H73 T 8 5.437 -2.068 1.526 812 H6 DT 8 H6 T 8 5.761 -0.673 -1.790 813 H5' DG 9 H5' G 9 4.905 -4.003 -7.211 814 H5'' DG 9 H5'' G 9 4.140 -3.172 -8.580 815 H4' DG 9 H4' G 9 3.152 -5.244 -8.658 816 H3' DG 9 H3' G 9 1.408 -3.303 -8.190 817 H2' DG 9 H2' G 9 1.439 -3.276 -5.808 818 H2'' DG 9 H2'' G 9 0.087 -4.366 -6.090 819 H1' DG 9 H1' G 9 1.379 -6.307 -5.703 820 H8 DG 9 H8 G 9 2.178 -3.066 -4.014 821 H1 DG 9 H1 G 9 4.181 -8.257 -0.805 822 H21 DG 9 H21 G 9 3.719 -9.924 -3.793 823 H22 DG 9 H22 G 9 4.239 -10.000 -2.129 824 H5' DG 10 H5' G 10 0.270 -7.584 -8.049 825 H5'' DG 10 H5'' G 10 -0.860 -7.690 -9.407 826 H4' DG 10 H4' G 10 -1.124 -9.695 -8.276 827 H3' DG 10 H3' G 10 -3.363 -8.297 -8.530 828 H2' DG 10 H2' G 10 -3.273 -6.999 -6.503 829 H2'' DG 10 H2'' G 10 -4.238 -8.372 -5.966 830 H1' DG 10 H1' G 10 -2.435 -9.453 -4.945 831 H8 DG 10 H8 G 10 -1.958 -5.642 -5.386 832 H1 DG 10 H1 G 10 -0.141 -8.240 0.209 833 H21 DG 10 H21 G 10 -0.496 -11.239 -1.456 834 H22 DG 10 H22 G 10 -0.071 -10.439 0.036 835 H5' DG 11 H5' G 11 -3.178 -11.719 -5.390 836 H5'' DG 11 H5'' G 11 -3.745 -12.709 -6.751 837 H4' DG 11 H4' G 11 -3.996 -14.139 -4.975 838 H3' DG 11 H3' G 11 -6.294 -13.548 -6.151 839 H2' DG 11 H2' G 11 -6.928 -11.642 -4.872 840 H2'' DG 11 H2'' G 11 -7.764 -12.905 -3.980 841 H1' DG 11 H1' G 11 -6.112 -13.001 -2.277 842 H8 DG 11 H8 G 11 -6.187 -9.763 -4.350 843 H1 DG 11 H1 G 11 -5.137 -9.022 1.946 844 H21 DG 11 H21 G 11 -4.808 -12.467 1.994 845 H22 DG 11 H22 G 11 -4.758 -10.971 2.893 846 H5' DC 12 H5' C 12 -6.350 -16.100 -2.281 847 H5'' DC 12 H5'' C 12 -7.009 -17.606 -2.948 848 H4' DC 12 H4' C 12 -7.364 -17.764 -0.650 849 H3' DC 12 H3' C 12 -9.548 -17.998 -2.129 850 H2' DC 12 H2' C 12 -10.209 -15.707 -2.249 851 H2'' DC 12 H2'' C 12 -11.148 -16.231 -0.860 852 H1' DC 12 H1' C 12 -9.645 -15.280 0.702 853 H41 DC 12 H41 C 12 -9.355 -9.602 -2.660 854 H42 DC 12 H42 C 12 -9.253 -9.200 -0.961 855 H5 DC 12 H5 C 12 -9.375 -11.888 -3.480 856 H6 DC 12 H6 C 12 -9.321 -14.231 -2.824 857 H5' DA 13 H5' A 13 -10.156 -18.075 2.626 858 H5'' DA 13 H5'' A 13 -11.089 -19.579 2.773 859 H4' DA 13 H4' A 13 -11.565 -18.247 4.673 860 H3' DA 13 H3' A 13 -13.626 -19.246 3.342 861 H2' DA 13 H2' A 13 -13.989 -17.488 1.766 862 H2'' DA 13 H2'' A 13 -15.093 -16.991 3.040 863 H1' DA 13 H1' A 13 -13.622 -15.355 3.892 864 H8 DA 13 H8 A 13 -12.752 -16.503 0.296 865 H61 DA 13 H61 A 13 -12.133 -12.041 -1.575 866 H62 DA 13 H62 A 13 -12.118 -10.439 -0.868 867 H2 DA 13 H2 A 13 -12.852 -10.975 3.531 868 H5' DG 14 H5' G 14 -14.618 -16.372 7.140 869 H5'' DG 14 H5'' G 14 -15.775 -17.440 7.957 870 H4' DG 14 H4' G 14 -16.225 -15.210 8.644 871 H3' DG 14 H3' G 14 -18.259 -16.693 7.811 872 H2' DG 14 H2' G 14 -18.198 -16.188 5.482 873 H2'' DG 14 H2'' G 14 -19.367 -15.000 6.035 874 H1' DG 14 H1' G 14 -17.783 -13.230 6.033 875 H8 DG 14 H8 G 14 -16.710 -16.325 4.011 876 H1 DG 14 H1 G 14 -15.907 -10.671 1.087 877 H21 DG 14 H21 G 14 -16.840 -9.324 4.153 878 H22 DG 14 H22 G 14 -16.354 -9.009 2.500 879 H5' DC 15 H5' C 15 -19.267 -12.161 8.913 880 H5'' DC 15 H5'' C 15 -20.725 -12.327 9.910 881 H4' DC 15 H4' C 15 -20.754 -10.152 8.980 882 H3' DC 15 H3' C 15 -22.920 -11.662 8.682 883 H2' DC 15 H2' C 15 -22.449 -12.701 6.625 884 H2'' DC 15 H2'' C 15 -23.337 -11.306 6.036 885 H1' DC 15 H1' C 15 -21.391 -10.138 5.408 886 H41 DC 15 H41 C 15 -19.307 -15.537 2.289 887 H42 DC 15 H42 C 15 -18.888 -14.175 1.283 888 H5 DC 15 H5 C 15 -20.232 -15.312 4.508 889 H6 DC 15 H6 C 15 -21.016 -13.723 6.186 890 H5' DG 16 H5' G 16 -24.980 -6.910 8.205 891 H5'' DG 16 H5'' G 16 -26.563 -7.379 7.573 892 H4' DG 16 H4' G 16 -25.680 -5.164 6.806 893 H3' DG 16 H3' G 16 -27.236 -6.770 5.373 894 H2' DG 16 H2' G 16 -25.782 -8.043 4.197 895 H2'' DG 16 H2'' G 16 -25.919 -6.721 3.043 896 H1' DG 16 H1' G 16 -23.818 -5.846 3.613 897 H8 DG 16 H8 G 16 -23.304 -8.617 6.154 898 H1 DG 16 H1 G 16 -22.224 -10.502 0.137 899 H21 DG 16 H21 G 16 -23.107 -7.274 -0.740 900 H22 DG 16 H22 G 16 -22.580 -8.854 -1.267 901 H5' DC 17 H5' C 17 -24.300 -13.743 -6.532 902 H5'' DC 17 H5'' C 17 -22.945 -14.403 -7.464 903 H4' DC 17 H4' C 17 -22.980 -11.950 -7.416 904 H3' DC 17 H3' C 17 -20.705 -13.299 -7.364 905 H2' DC 17 H2' C 17 -20.506 -13.664 -5.003 906 H2'' DC 17 H2'' C 17 -19.557 -12.199 -5.191 907 H1' DC 17 H1' C 17 -21.301 -10.803 -4.397 908 H41 DC 17 H41 C 17 -22.280 -14.859 0.712 909 H42 DC 17 H42 C 17 -22.489 -13.233 1.309 910 H5 DC 17 H5 C 17 -21.971 -15.378 -1.641 911 H6 DC 17 H6 C 17 -21.710 -14.425 -3.870 912 H5' DG 18 H5' G 18 -20.679 -8.830 -6.486 913 H5'' DG 18 H5'' G 18 -19.577 -8.100 -7.667 914 H4' DG 18 H4' G 18 -19.786 -6.569 -5.891 915 H3' DG 18 H3' G 18 -17.320 -7.202 -6.614 916 H2' DG 18 H2' G 18 -16.962 -9.102 -5.197 917 H2'' DG 18 H2'' G 18 -16.269 -7.819 -4.215 918 H1' DG 18 H1' G 18 -18.188 -7.649 -2.830 919 H8 DG 18 H8 G 18 -17.982 -10.927 -4.836 920 H1 DG 18 H1 G 18 -19.537 -11.520 1.358 921 H21 DG 18 H21 G 18 -19.648 -8.054 1.343 922 H22 DG 18 H22 G 18 -19.809 -9.531 2.268 923 H5' DC 19 H5' C 19 -18.000 -4.877 -2.794 924 H5'' DC 19 H5'' C 19 -17.229 -3.308 -3.090 925 H4' DC 19 H4' C 19 -17.452 -3.442 -0.772 926 H3' DC 19 H3' C 19 -14.976 -3.030 -1.624 927 H2' DC 19 H2' C 19 -14.252 -5.300 -1.861 928 H2'' DC 19 H2'' C 19 -13.691 -4.952 -0.231 929 H1' DC 19 H1' C 19 -15.506 -6.068 0.794 930 H41 DC 19 H41 C 19 -14.977 -11.351 -3.183 931 H42 DC 19 H42 C 19 -15.331 -11.910 -1.567 932 H5 DC 19 H5 C 19 -14.861 -8.953 -3.727 933 H6 DC 19 H6 C 19 -15.050 -6.699 -2.820 934 H5' DT 20 H5' T 20 -15.437 -3.555 3.161 935 H5'' DT 20 H5'' T 20 -14.507 -2.157 3.736 936 H4' DT 20 H4' T 20 -14.556 -3.895 5.409 937 H3' DT 20 H3' T 20 -12.295 -2.605 4.945 938 H2' DT 20 H2' T 20 -11.431 -3.966 3.154 939 H2'' DT 20 H2'' T 20 -10.640 -4.696 4.544 940 H1' DT 20 H1' T 20 -12.168 -6.500 4.652 941 H3 DT 20 H3 T 20 -12.349 -9.285 1.220 942 H71 DT 20 H71 T 20 -11.746 -4.275 -0.738 943 H72 DT 20 H72 T 20 -12.499 -5.529 -1.753 944 H73 DT 20 H73 T 20 -10.756 -5.595 -1.401 945 H6 DT 20 H6 T 20 -12.118 -4.530 1.541 946 H5' DG 21 H5' G 21 -11.490 -6.762 7.783 947 H5'' DG 21 H5'' G 21 -10.973 -5.695 9.105 948 H4' DG 21 H4' G 21 -9.756 -7.653 9.431 949 H3' DG 21 H3' G 21 -8.276 -5.483 9.130 950 H2' DG 21 H2' G 21 -7.993 -5.504 6.754 951 H2'' DG 21 H2'' G 21 -6.542 -6.364 7.256 952 H1' DG 21 H1' G 21 -7.452 -8.490 6.749 953 H8 DG 21 H8 G 21 -8.774 -5.398 5.038 954 H1 DG 21 H1 G 21 -9.031 -10.722 1.472 955 H21 DG 21 H21 G 21 -8.375 -12.364 4.459 956 H22 DG 21 H22 G 21 -8.704 -12.503 2.746 957 H5' DC 22 H5' C 22 -6.262 -9.469 9.008 958 H5'' DC 22 H5'' C 22 -5.227 -9.481 10.450 959 H4' DC 22 H4' C 22 -4.359 -11.171 9.112 960 H3' DC 22 H3' C 22 -2.640 -9.247 9.733 961 H2' DC 22 H2' C 22 -2.976 -7.774 7.892 962 H2'' DC 22 H2'' C 22 -1.635 -8.730 7.278 963 H1' DC 22 H1' C 22 -3.017 -10.085 5.932 964 H41 DC 22 H41 C 22 -5.736 -4.682 3.217 965 H42 DC 22 H42 C 22 -5.736 -5.996 2.072 966 H5 DC 22 H5 C 22 -5.187 -5.170 5.662 967 H6 DC 22 H6 C 22 -4.300 -6.877 7.170 968 H5' DC 23 H5' C 23 -1.416 -12.336 6.404 969 H5'' DC 23 H5'' C 23 -0.495 -13.125 7.696 970 H4' DC 23 H4' C 23 0.325 -14.155 5.820 971 H3' DC 23 H3' C 23 2.192 -12.804 7.123 972 H2' DC 23 H2' C 23 2.009 -10.686 6.036 973 H2'' DC 23 H2'' C 23 3.277 -11.427 5.069 974 H1' DC 23 H1' C 23 1.809 -12.016 3.316 975 H41 DC 23 H41 C 23 -0.613 -5.896 3.076 976 H42 DC 23 H42 C 23 -0.574 -6.513 1.452 977 H5 DC 23 H5 C 23 -0.119 -7.302 5.022 978 H6 DC 23 H6 C 23 0.526 -9.527 5.755 979 H5' DC 24 H5' C 24 3.230 -14.547 2.922 980 H5'' DC 24 H5'' C 24 4.346 -15.767 3.564 981 H4' DC 24 H4' C 24 4.858 -15.669 1.301 982 H3' DC 24 H3' C 24 6.902 -15.131 2.903 983 H2' DC 24 H2' C 24 6.643 -12.761 3.109 984 H2'' DC 24 H2'' C 24 7.786 -12.845 1.776 985 H1' DC 24 H1' C 24 6.115 -12.491 0.132 986 H41 DC 24 H41 C 24 3.870 -7.252 3.439 987 H42 DC 24 H42 C 24 3.662 -6.934 1.732 988 H5 DC 24 H5 C 24 4.591 -9.435 4.278 989 H6 DC 24 H6 C 24 5.320 -11.667 3.633 990 H5' DA 25 H5' A 25 7.357 -14.358 -1.588 991 H5'' DA 25 H5'' A 25 8.533 -15.637 -1.943 992 H4' DA 25 H4' A 25 8.632 -14.253 -3.796 993 H3' DA 25 H3' A 25 10.951 -14.543 -2.555 994 H2' DA 25 H2' A 25 10.804 -12.721 -1.000 995 H2'' DA 25 H2'' A 25 11.689 -11.966 -2.317 996 H1' DA 25 H1' A 25 9.764 -10.885 -3.179 997 H8 DA 25 H8 A 25 9.317 -12.013 0.512 998 H61 DA 25 H61 A 25 7.733 -7.701 2.163 999 H62 DA 25 H62 A 25 7.341 -6.186 1.378 1000 H2 DA 25 H2 A 25 8.030 -6.814 -3.018 1001 H5' DC 26 H5' C 26 10.415 -11.427 -5.820 1002 H5'' DC 26 H5'' C 26 11.476 -12.136 -7.051 1003 H4' DC 26 H4' C 26 11.142 -9.985 -7.812 1004 H3' DC 26 H3' C 26 13.687 -10.550 -7.336 1005 H2' DC 26 H2' C 26 13.835 -9.869 -5.052 1006 H2'' DC 26 H2'' C 26 14.374 -8.403 -5.858 1007 H1' DC 26 H1' C 26 12.266 -7.336 -5.636 1008 H41 DC 26 H41 C 26 11.794 -8.843 0.789 1009 H42 DC 26 H42 C 26 11.232 -7.206 0.581 1010 H5 DC 26 H5 C 26 12.459 -10.254 -1.094 1011 H6 DC 26 H6 C 26 12.704 -10.356 -3.524 1012 H5' DA 27 H5' A 27 12.525 -6.213 -8.564 1013 H5'' DA 27 H5'' A 27 13.503 -6.024 -10.031 1014 H4' DA 27 H4' A 27 12.948 -3.857 -9.335 1015 H3' DA 27 H3' A 27 15.531 -4.310 -9.696 1016 H2' DA 27 H2' A 27 16.115 -5.069 -7.503 1017 H2'' DA 27 H2'' A 27 16.500 -3.359 -7.370 1018 H1' DA 27 H1' A 27 14.491 -2.852 -6.210 1019 H8 DA 27 H8 A 27 15.352 -6.632 -6.175 1020 H61 DA 27 H61 A 27 14.644 -7.329 -1.403 1021 H62 DA 27 H62 A 27 14.091 -6.291 -0.115 1022 H2 DA 27 H2 A 27 13.228 -2.284 -1.954 1023 H5' DC 28 H5' C 28 14.276 -0.190 -7.810 1024 H5'' DC 28 H5'' C 28 14.987 0.955 -8.966 1025 H4' DC 28 H4' C 28 14.741 2.173 -6.991 1026 H3' DC 28 H3' C 28 17.206 2.124 -7.964 1027 H2' DC 28 H2' C 28 18.032 0.162 -6.864 1028 H2'' DC 28 H2'' C 28 18.567 1.412 -5.751 1029 H1' DC 28 H1' C 28 16.788 1.019 -4.230 1030 H41 DC 28 H41 C 28 17.770 -5.517 -4.453 1031 H42 DC 28 H42 C 28 17.315 -5.129 -2.813 1032 H5 DC 28 H5 C 28 17.798 -3.876 -6.244 1033 H6 DC 28 H6 C 28 17.424 -1.534 -6.805 1034 H5' DA 29 H5' A 29 16.530 3.898 -3.760 1035 H5'' DA 29 H5'' A 29 17.083 5.571 -3.962 1036 H4' DA 29 H4' A 29 17.149 5.206 -1.665 1037 H3' DA 29 H3' A 29 19.458 5.963 -2.713 1038 H2' DA 29 H2' A 29 20.368 3.813 -3.261 1039 H2'' DA 29 H2'' A 29 21.083 4.081 -1.681 1040 H1' DA 29 H1' A 29 19.508 2.685 -0.576 1041 H8 DA 29 H8 A 29 19.570 2.092 -4.400 1042 H61 DA 29 H61 A 29 19.966 -2.750 -4.223 1043 H62 DA 29 H62 A 29 19.967 -3.917 -2.921 1044 H2 DA 29 H2 A 29 19.509 -1.553 0.879 1045 H5' DA 30 H5' A 30 19.458 4.548 1.711 1046 H5'' DA 30 H5'' A 30 20.000 6.016 2.543 1047 H4' DA 30 H4' A 30 20.456 4.312 4.046 1048 H3' DA 30 H3' A 30 22.586 5.732 3.367 1049 H2' DA 30 H2' A 30 23.322 4.469 1.466 1050 H2'' DA 30 H2'' A 30 24.293 3.742 2.737 1051 H1' DA 30 H1' A 30 22.867 1.857 2.943 1052 H8 DA 30 H8 A 30 22.246 3.767 -0.368 1053 H61 DA 30 H61 A 30 22.577 -0.088 -3.317 1054 H62 DA 30 H62 A 30 22.812 -1.796 -3.044 1055 H2 DA 30 H2 A 30 23.110 -2.336 1.415 1056 H5' DG 31 H5' G 31 23.142 1.893 5.743 1057 H5'' DG 31 H5'' G 31 23.748 2.509 7.293 1058 H4' DG 31 H4' G 31 24.311 0.263 7.319 1059 H3' DG 31 H3' G 31 26.393 1.879 7.583 1060 H2' DG 31 H2' G 31 26.987 2.161 5.274 1061 H2'' DG 31 H2'' G 31 28.030 0.816 5.718 1062 H1' DG 31 H1' G 31 26.624 -0.804 4.747 1063 H8 DG 31 H8 G 31 25.902 2.781 3.500 1064 H1 DG 31 H1 G 31 26.264 -1.788 -0.994 1065 H21 DG 31 H21 G 31 26.607 -3.963 1.699 1066 H22 DG 31 H22 G 31 26.551 -3.775 -0.033 1067 H5' DC 32 H5' C 32 27.118 -2.518 6.787 1068 H5'' DC 32 H5'' C 32 27.798 -3.059 8.334 1069 H4' DC 32 H4' C 32 28.401 -4.735 6.856 1070 H3' DC 32 H3' C 32 30.459 -3.562 8.042 1071 HO3' DC 32 H3T C 32 31.002 -5.221 5.819 1072 H2' DC 32 H2' C 32 30.868 -1.801 6.467 1073 H2'' DC 32 H2'' C 32 31.994 -3.022 5.893 1074 H1' DC 32 H1' C 32 30.550 -3.735 4.144 1075 H41 DC 32 H41 C 32 29.356 2.423 2.049 1076 H42 DC 32 H42 C 32 29.355 1.372 0.651 1077 H5 DC 32 H5 C 32 29.595 1.573 4.320 1078 H6 DC 32 H6 C 32 29.854 -0.448 5.674 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 -6.260 -0.827 -0.621 2 H2 MET 1 HT2 MET 1 -7.050 -0.421 -2.063 3 H3 MET 1 HT3 MET 1 -5.360 -0.407 -1.995 4 HA MET 1 HA MET 1 -5.331 -2.791 -1.642 5 HB2 MET 1 HB2 MET 1 -7.800 -2.557 -0.700 6 HB3 MET 1 HB1 MET 1 -8.230 -2.878 -2.372 7 HG2 MET 1 HG2 MET 1 -6.285 -4.719 -1.113 8 HG3 MET 1 HG1 MET 1 -7.951 -4.799 -0.550 9 HE1 MET 1 HE1 MET 1 -9.195 -6.906 -1.553 10 HE2 MET 1 HE2 MET 1 -7.499 -7.269 -1.241 11 HE3 MET 1 HE3 MET 1 -8.257 -7.815 -2.738 12 H VAL 2 HN VAL 2 -5.891 -4.365 -3.541 13 HA VAL 2 HA VAL 2 -5.055 -3.069 -5.936 14 HB VAL 2 HB VAL 2 -6.196 -5.791 -6.143 15 HG11 VAL 2 HG11 VAL 2 -3.442 -4.842 -6.876 16 HG12 VAL 2 HG12 VAL 2 -4.848 -4.504 -7.880 17 HG13 VAL 2 HG13 VAL 2 -4.372 -6.172 -7.570 18 HG21 VAL 2 HG21 VAL 2 -3.758 -5.234 -4.457 19 HG22 VAL 2 HG22 VAL 2 -4.276 -6.826 -5.012 20 HG23 VAL 2 HG23 VAL 2 -5.291 -5.913 -3.903 21 H GLN 3 HN GLN 3 -8.041 -4.645 -4.878 22 HA GLN 3 HA GLN 3 -9.524 -4.265 -7.228 23 HB2 GLN 3 HB2 GLN 3 -10.396 -4.580 -4.353 24 HB3 GLN 3 HB1 GLN 3 -11.520 -4.561 -5.705 25 HG2 GLN 3 HG2 GLN 3 -10.805 -6.608 -6.499 26 HG3 GLN 3 HG1 GLN 3 -9.238 -6.484 -5.703 27 HE21 GLN 3 HE21 GLN 3 -12.275 -5.821 -4.095 28 HE22 GLN 3 HE22 GLN 3 -12.209 -7.175 -3.020 29 H SER 4 HN SER 4 -8.843 -2.140 -4.558 30 HA SER 4 HA SER 4 -9.607 0.191 -5.935 31 HB2 SER 4 HB2 SER 4 -11.731 0.665 -5.189 32 HB3 SER 4 HB1 SER 4 -11.797 -1.064 -5.023 33 HG SER 4 HG SER 4 -10.831 0.445 -2.870 34 H CYS 5 HN CYS 5 -9.069 2.080 -4.718 35 HA CYS 5 HA CYS 5 -7.037 1.616 -2.767 36 HB2 CYS 5 HB2 CYS 5 -8.204 4.330 -3.265 37 HB3 CYS 5 HB1 CYS 5 -6.524 3.872 -2.998 38 H SER 6 HN SER 6 -7.057 2.998 -0.708 39 HA SER 6 HA SER 6 -9.242 2.138 0.891 40 HB2 SER 6 HB2 SER 6 -6.928 3.950 1.594 41 HB3 SER 6 HB1 SER 6 -7.990 3.127 2.738 42 HG SER 6 HG SER 6 -6.737 1.465 2.550 43 H ALA 7 HN ALA 7 -9.291 4.563 -1.197 44 HA ALA 7 HA ALA 7 -10.332 6.703 0.398 45 HB1 ALA 7 HB1 ALA 7 -9.137 6.902 -1.828 46 HB2 ALA 7 HB2 ALA 7 -10.596 7.872 -1.620 47 HB3 ALA 7 HB3 ALA 7 -10.654 6.387 -2.569 48 H TYR 8 HN TYR 8 -12.502 7.581 -1.066 49 HA TYR 8 HA TYR 8 -14.525 5.617 -0.261 50 HB2 TYR 8 HB2 TYR 8 -14.620 7.726 0.953 51 HB3 TYR 8 HB1 TYR 8 -14.671 8.626 -0.551 52 HD1 TYR 8 HD1 TYR 8 -16.718 5.607 -0.394 53 HD2 TYR 8 HD2 TYR 8 -16.622 9.791 0.378 54 HE1 TYR 8 HE1 TYR 8 -19.179 5.646 -0.317 55 HE2 TYR 8 HE2 TYR 8 -19.077 9.840 0.449 56 HH TYR 8 HH TYR 8 -20.982 6.893 0.310 57 H GLY 9 HN GLY 9 -14.205 4.492 -2.315 58 HA2 GLY 9 HA2 GLY 9 -15.655 3.967 -4.150 59 HA3 GLY 9 HA1 GLY 9 -15.930 5.684 -4.374 60 H CYS 10 HN CYS 10 -12.648 5.129 -3.885 61 HA CYS 10 HA CYS 10 -12.108 5.728 -6.627 62 HB2 CYS 10 HB2 CYS 10 -10.739 6.719 -4.829 63 HB3 CYS 10 HB1 CYS 10 -10.116 5.120 -4.434 64 H LYS 11 HN LYS 11 -13.139 3.724 -7.432 65 HA LYS 11 HA LYS 11 -11.639 1.265 -7.109 66 HB2 LYS 11 HB2 LYS 11 -13.871 1.854 -9.064 67 HB3 LYS 11 HB1 LYS 11 -13.278 0.269 -8.590 68 HG2 LYS 11 HG2 LYS 11 -14.030 0.785 -6.261 69 HG3 LYS 11 HG1 LYS 11 -14.802 2.235 -6.905 70 HD2 LYS 11 HD2 LYS 11 -16.479 0.553 -6.792 71 HD3 LYS 11 HD1 LYS 11 -16.050 0.736 -8.493 72 HE2 LYS 11 HE2 LYS 11 -14.707 -1.238 -8.439 73 HE3 LYS 11 HE1 LYS 11 -14.871 -1.367 -6.690 74 HZ1 LYS 11 HZ1 LYS 11 -16.830 -1.990 -8.790 75 HZ2 LYS 11 HZ2 LYS 11 -17.388 -1.503 -7.274 76 HZ3 LYS 11 HZ3 LYS 11 -16.414 -2.879 -7.410 77 H ASN 12 HN ASN 12 -9.966 3.186 -7.987 78 HA ASN 12 HA ASN 12 -9.707 3.066 -10.880 79 HB2 ASN 12 HB2 ASN 12 -8.133 4.438 -8.742 80 HB3 ASN 12 HB1 ASN 12 -7.682 4.503 -10.440 81 HD21 ASN 12 HD21 ASN 12 -8.212 6.856 -9.133 82 HD22 ASN 12 HD22 ASN 12 -9.710 7.506 -9.694 83 H ARG 13 HN ARG 13 -9.527 0.642 -9.890 84 HA ARG 13 HA ARG 13 -7.328 -0.664 -9.083 85 HB2 ARG 13 HB2 ARG 13 -9.583 -1.467 -10.248 86 HB3 ARG 13 HB1 ARG 13 -8.536 -1.648 -11.641 87 HG2 ARG 13 HG2 ARG 13 -8.413 -3.100 -9.014 88 HG3 ARG 13 HG1 ARG 13 -8.672 -3.763 -10.626 89 HD2 ARG 13 HD2 ARG 13 -6.311 -2.843 -11.133 90 HD3 ARG 13 HD1 ARG 13 -6.140 -2.748 -9.386 91 HE ARG 13 HE ARG 13 -6.868 -5.257 -9.579 92 HH11 ARG 13 HH11 ARG 13 -4.696 -3.515 -11.705 93 HH12 ARG 13 HH12 ARG 13 -3.726 -4.908 -12.067 94 HH21 ARG 13 HH21 ARG 13 -5.586 -7.088 -10.047 95 HH22 ARG 13 HH22 ARG 13 -4.227 -6.933 -11.118 96 H TYR 14 HN TYR 14 -5.255 -0.985 -9.762 97 HA TYR 14 HA TYR 14 -3.726 0.576 -11.239 98 HB2 TYR 14 HB2 TYR 14 -3.344 -1.904 -10.155 99 HB3 TYR 14 HB1 TYR 14 -3.071 -2.211 -11.865 100 HD1 TYR 14 HD1 TYR 14 -1.689 0.187 -12.805 101 HD2 TYR 14 HD2 TYR 14 -1.297 -1.881 -9.107 102 HE1 TYR 14 HE1 TYR 14 0.596 1.057 -12.564 103 HE2 TYR 14 HE2 TYR 14 0.990 -1.023 -8.863 104 HH TYR 14 HH TYR 14 2.735 -0.054 -10.009 105 H ASP 15 HN ASP 15 -4.141 1.469 -13.092 106 HA ASP 15 HA ASP 15 -4.546 -0.207 -15.463 107 HB2 ASP 15 HB2 ASP 15 -6.692 0.678 -15.265 108 HB3 ASP 15 HB1 ASP 15 -6.121 2.172 -14.547 109 H LYS 16 HN LYS 16 -2.761 -0.025 -16.544 110 HA LYS 16 HA LYS 16 -0.753 1.837 -16.157 111 HB2 LYS 16 HB2 LYS 16 0.334 0.402 -17.467 112 HB3 LYS 16 HB1 LYS 16 -1.185 -0.449 -17.712 113 HG2 LYS 16 HG2 LYS 16 -1.574 1.343 -19.552 114 HG3 LYS 16 HG1 LYS 16 0.175 1.536 -19.476 115 HD2 LYS 16 HD2 LYS 16 0.546 -0.703 -20.119 116 HD3 LYS 16 HD1 LYS 16 -1.140 -1.142 -19.834 117 HE2 LYS 16 HE2 LYS 16 -0.429 0.949 -21.849 118 HE3 LYS 16 HE1 LYS 16 -0.322 -0.762 -22.261 119 HZ1 LYS 16 HZ1 LYS 16 -2.735 0.768 -21.443 120 HZ2 LYS 16 HZ2 LYS 16 -2.690 -0.925 -21.492 121 HZ3 LYS 16 HZ3 LYS 16 -2.452 -0.036 -22.909 122 H ASP 17 HN ASP 17 -3.555 2.042 -18.225 123 HA ASP 17 HA ASP 17 -2.646 4.077 -19.956 124 HB2 ASP 17 HB2 ASP 17 -5.300 2.981 -19.170 125 HB3 ASP 17 HB1 ASP 17 -5.263 4.534 -19.994 126 H LYS 18 HN LYS 18 -4.035 4.086 -16.765 127 HA LYS 18 HA LYS 18 -4.268 6.989 -16.761 128 HB2 LYS 18 HB2 LYS 18 -5.704 6.766 -15.022 129 HB3 LYS 18 HB1 LYS 18 -5.835 5.124 -15.631 130 HG2 LYS 18 HG2 LYS 18 -3.926 4.603 -13.978 131 HG3 LYS 18 HG1 LYS 18 -4.384 6.132 -13.228 132 HD2 LYS 18 HD2 LYS 18 -5.815 3.545 -13.288 133 HD3 LYS 18 HD1 LYS 18 -5.756 4.775 -12.031 134 HE2 LYS 18 HE2 LYS 18 -7.913 5.076 -12.665 135 HE3 LYS 18 HE1 LYS 18 -7.162 6.123 -13.862 136 HZ1 LYS 18 HZ1 LYS 18 -8.189 3.378 -14.225 137 HZ2 LYS 18 HZ2 LYS 18 -7.142 4.086 -15.350 138 HZ3 LYS 18 HZ3 LYS 18 -8.653 4.786 -15.034 139 HA PRO 19 HA PRO 19 -0.286 7.428 -14.916 140 HB2 PRO 19 HB2 PRO 19 -0.376 10.022 -14.247 141 HB3 PRO 19 HB1 PRO 19 -0.421 9.504 -15.942 142 HG2 PRO 19 HG2 PRO 19 -2.641 10.432 -14.200 143 HG3 PRO 19 HG1 PRO 19 -2.345 10.742 -15.920 144 HD2 PRO 19 HD2 PRO 19 -4.098 8.836 -14.919 145 HD3 PRO 19 HD1 PRO 19 -3.430 8.862 -16.561 146 H VAL 20 HN VAL 20 -1.028 5.942 -13.093 147 HA VAL 20 HA VAL 20 -0.600 7.375 -10.604 148 HB VAL 20 HB VAL 20 -2.353 6.457 -9.341 149 HG11 VAL 20 HG11 VAL 20 -3.225 8.314 -10.469 150 HG12 VAL 20 HG12 VAL 20 -4.464 7.064 -10.573 151 HG13 VAL 20 HG13 VAL 20 -3.437 7.410 -11.968 152 HG21 VAL 20 HG21 VAL 20 -2.878 4.633 -11.659 153 HG22 VAL 20 HG22 VAL 20 -4.042 4.869 -10.353 154 HG23 VAL 20 HG23 VAL 20 -2.438 4.220 -10.001 155 H SER 21 HN SER 21 0.296 6.131 -8.986 156 HA SER 21 HA SER 21 1.202 3.447 -9.802 157 HB2 SER 21 HB2 SER 21 3.251 3.911 -8.447 158 HB3 SER 21 HB1 SER 21 3.083 5.012 -9.817 159 HG SER 21 HG SER 21 2.859 6.634 -8.487 160 H PHE 22 HN PHE 22 1.656 2.020 -7.853 161 HA PHE 22 HA PHE 22 -0.266 2.713 -5.753 162 HB2 PHE 22 HB2 PHE 22 0.348 0.166 -7.134 163 HB3 PHE 22 HB1 PHE 22 0.018 0.049 -5.409 164 HD1 PHE 22 HD1 PHE 22 -1.384 1.245 -8.635 165 HD2 PHE 22 HD2 PHE 22 -2.181 0.186 -4.589 166 HE1 PHE 22 HE1 PHE 22 -3.816 1.340 -9.094 167 HE2 PHE 22 HE2 PHE 22 -4.604 0.283 -5.036 168 HZ PHE 22 HZ PHE 22 -5.419 0.860 -7.288 169 H HIS 23 HN HIS 23 0.217 1.937 -3.614 170 HA HIS 23 HA HIS 23 2.992 1.386 -2.870 171 HB2 HIS 23 HB2 HIS 23 1.941 3.552 -1.237 172 HB3 HIS 23 HB1 HIS 23 3.517 3.405 -1.988 173 HD1 HIS 23 HD1 HIS 23 0.052 4.550 -2.703 174 HD2 HIS 23 HD2 HIS 23 3.875 4.980 -4.235 175 HE1 HIS 23 HE1 HIS 23 -0.182 6.210 -4.526 176 HE2 HIS 23 HE2 HIS 23 2.106 6.267 -5.624 177 H LYS 24 HN LYS 24 3.024 1.356 -0.309 178 HA LYS 24 HA LYS 24 0.427 0.206 0.472 179 HB2 LYS 24 HB2 LYS 24 3.243 -0.535 1.144 180 HB3 LYS 24 HB1 LYS 24 2.019 -0.764 2.388 181 HG2 LYS 24 HG2 LYS 24 0.850 -2.331 1.131 182 HG3 LYS 24 HG1 LYS 24 1.587 -1.805 -0.384 183 HD2 LYS 24 HD2 LYS 24 2.481 -3.952 0.315 184 HD3 LYS 24 HD1 LYS 24 3.733 -2.713 0.352 185 HE2 LYS 24 HE2 LYS 24 3.139 -2.465 2.830 186 HE3 LYS 24 HE1 LYS 24 2.295 -4.003 2.642 187 HZ1 LYS 24 HZ1 LYS 24 4.358 -4.706 3.276 188 HZ2 LYS 24 HZ2 LYS 24 5.167 -3.430 2.523 189 HZ3 LYS 24 HZ3 LYS 24 4.562 -4.710 1.593 190 H PHE 25 HN PHE 25 -0.002 0.570 2.962 191 HA PHE 25 HA PHE 25 -0.119 3.310 3.528 192 HB2 PHE 25 HB2 PHE 25 -0.630 0.837 5.019 193 HB3 PHE 25 HB1 PHE 25 -0.073 2.149 6.035 194 HD1 PHE 25 HD2 PHE 25 -2.562 1.591 3.327 195 HD2 PHE 25 HD1 PHE 25 -1.665 3.505 7.003 196 HE1 PHE 25 HE2 PHE 25 -4.848 2.509 3.397 197 HE2 PHE 25 HE1 PHE 25 -3.949 4.412 7.097 198 HZ PHE 25 HZ PHE 25 -5.543 3.917 5.291 199 HA PRO 26 HA PRO 26 3.843 4.372 5.270 200 HB2 PRO 26 HB2 PRO 26 3.119 6.143 7.185 201 HB3 PRO 26 HB1 PRO 26 2.977 6.536 5.460 202 HG2 PRO 26 HG2 PRO 26 0.880 5.536 7.331 203 HG3 PRO 26 HG1 PRO 26 0.803 6.906 6.203 204 HD2 PRO 26 HD2 PRO 26 -0.258 4.555 5.557 205 HD3 PRO 26 HD1 PRO 26 0.596 5.533 4.353 206 H LEU 27 HN LEU 27 3.789 2.052 6.113 207 HA LEU 27 HA LEU 27 2.889 1.518 8.743 208 HB2 LEU 27 HB2 LEU 27 4.645 0.111 6.772 209 HB3 LEU 27 HB1 LEU 27 4.496 -0.497 8.414 210 HG LEU 27 HG LEU 27 2.253 -0.141 6.406 211 HD11 LEU 27 HD11 LEU 27 3.453 -2.610 7.671 212 HD12 LEU 27 HD12 LEU 27 3.647 -2.098 5.995 213 HD13 LEU 27 HD13 LEU 27 2.058 -2.576 6.591 214 HD21 LEU 27 HD21 LEU 27 2.264 -0.616 9.348 215 HD22 LEU 27 HD22 LEU 27 1.041 -1.414 8.356 216 HD23 LEU 27 HD23 LEU 27 1.167 0.347 8.355 217 H THR 28 HN THR 28 5.727 2.873 7.415 218 HA THR 28 HA THR 28 7.191 2.590 9.899 219 HB THR 28 HB THR 28 9.091 3.469 8.638 220 HG1 THR 28 HG1 THR 28 8.303 3.629 6.173 221 HG21 THR 28 HG21 THR 28 9.167 1.747 6.839 222 HG22 THR 28 HG22 THR 28 7.449 1.427 7.128 223 HG23 THR 28 HG23 THR 28 8.641 1.104 8.397 224 H ARG 29 HN ARG 29 4.768 4.400 9.166 225 HA ARG 29 HA ARG 29 5.652 6.745 10.668 226 HB2 ARG 29 HB2 ARG 29 4.859 6.697 7.826 227 HB3 ARG 29 HB1 ARG 29 3.917 7.818 8.783 228 HG2 ARG 29 HG2 ARG 29 6.887 7.892 8.962 229 HG3 ARG 29 HG1 ARG 29 6.067 8.593 7.560 230 HD2 ARG 29 HD2 ARG 29 5.407 10.366 8.717 231 HD3 ARG 29 HD1 ARG 29 4.805 9.371 10.040 232 HE ARG 29 HE ARG 29 6.797 9.644 11.151 233 HH11 ARG 29 HH11 ARG 29 7.032 11.008 7.928 234 HH12 ARG 29 HH12 ARG 29 8.542 11.806 8.235 235 HH21 ARG 29 HH21 ARG 29 8.788 10.686 11.561 236 HH22 ARG 29 HH22 ARG 29 9.538 11.631 10.313 237 HA PRO 30 HA PRO 30 1.670 4.333 11.740 238 HB2 PRO 30 HB2 PRO 30 2.164 4.899 14.443 239 HB3 PRO 30 HB1 PRO 30 2.395 3.354 13.610 240 HG2 PRO 30 HG2 PRO 30 4.382 5.446 14.291 241 HG3 PRO 30 HG1 PRO 30 4.589 3.692 14.161 242 HD2 PRO 30 HD2 PRO 30 5.514 5.330 12.278 243 HD3 PRO 30 HD1 PRO 30 4.820 3.746 11.869 244 H SER 31 HN SER 31 2.677 7.160 13.789 245 HA SER 31 HA SER 31 0.121 8.022 14.404 246 HB2 SER 31 HB2 SER 31 1.997 10.215 13.826 247 HB3 SER 31 HB1 SER 31 1.195 9.782 15.337 248 HG SER 31 HG SER 31 3.406 9.457 15.561 249 H LEU 32 HN LEU 32 2.124 8.924 11.648 250 HA LEU 32 HA LEU 32 0.224 10.575 10.395 251 HB2 LEU 32 HB2 LEU 32 2.600 10.715 9.915 252 HB3 LEU 32 HB1 LEU 32 2.623 9.057 9.370 253 HG LEU 32 HG LEU 32 2.682 11.034 7.665 254 HD11 LEU 32 HD11 LEU 32 1.656 9.604 5.992 255 HD12 LEU 32 HD12 LEU 32 0.967 8.606 7.274 256 HD13 LEU 32 HD13 LEU 32 2.719 8.701 7.073 257 HD21 LEU 32 HD21 LEU 32 -0.251 10.756 8.249 258 HD22 LEU 32 HD22 LEU 32 0.407 11.484 6.779 259 HD23 LEU 32 HD23 LEU 32 0.745 12.212 8.350 260 H CYS 33 HN CYS 33 0.887 7.134 10.368 261 HA CYS 33 HA CYS 33 -0.626 6.349 8.107 262 HB2 CYS 33 HB2 CYS 33 0.995 4.916 9.384 263 HB3 CYS 33 HB1 CYS 33 -0.146 4.889 10.728 264 HG CYS 33 HG CYS 33 0.066 2.875 8.170 265 H LYS 34 HN LYS 34 -1.304 7.027 11.394 266 HA LYS 34 HA LYS 34 -3.902 5.970 11.529 267 HB2 LYS 34 HB2 LYS 34 -2.846 6.123 13.539 268 HB3 LYS 34 HB1 LYS 34 -2.132 7.682 13.170 269 HG2 LYS 34 HG2 LYS 34 -4.765 8.322 13.238 270 HG3 LYS 34 HG1 LYS 34 -4.668 7.047 14.462 271 HD2 LYS 34 HD2 LYS 34 -2.427 8.489 15.013 272 HD3 LYS 34 HD1 LYS 34 -3.542 9.753 14.471 273 HE2 LYS 34 HE2 LYS 34 -3.664 9.400 16.903 274 HE3 LYS 34 HE1 LYS 34 -5.195 9.039 16.101 275 HZ1 LYS 34 HZ1 LYS 34 -4.602 7.372 17.762 276 HZ2 LYS 34 HZ2 LYS 34 -3.182 7.021 16.919 277 HZ3 LYS 34 HZ3 LYS 34 -4.681 6.693 16.216 278 H GLU 35 HN GLU 35 -2.699 9.188 10.524 279 HA GLU 35 HA GLU 35 -5.345 10.285 10.854 280 HB2 GLU 35 HB2 GLU 35 -4.388 12.043 9.134 281 HB3 GLU 35 HB1 GLU 35 -4.030 12.105 10.840 282 HG2 GLU 35 HG2 GLU 35 -1.979 10.657 10.183 283 HG3 GLU 35 HG1 GLU 35 -2.286 11.337 8.586 284 H TRP 36 HN TRP 36 -3.781 8.348 8.514 285 HA TRP 36 HA TRP 36 -5.305 9.110 6.263 286 HB2 TRP 36 HB2 TRP 36 -4.038 6.459 6.995 287 HB3 TRP 36 HB1 TRP 36 -4.814 6.771 5.444 288 HD1 TRP 36 HD1 TRP 36 -2.615 9.387 7.166 289 HE1 TRP 36 HE1 TRP 36 -0.537 9.813 5.721 290 HE3 TRP 36 HE3 TRP 36 -3.292 5.700 3.656 291 HZ2 TRP 36 HZ2 TRP 36 0.677 8.716 3.422 292 HZ3 TRP 36 HZ3 TRP 36 -1.622 5.482 1.862 293 HH2 TRP 36 HH2 TRP 36 0.325 6.952 1.759 294 H GLU 37 HN GLU 37 -5.911 7.208 9.106 295 HA GLU 37 HA GLU 37 -8.272 5.909 8.215 296 HB2 GLU 37 HB2 GLU 37 -7.801 6.787 11.061 297 HB3 GLU 37 HB1 GLU 37 -8.675 5.373 10.486 298 HG2 GLU 37 HG2 GLU 37 -5.749 5.610 9.962 299 HG3 GLU 37 HG1 GLU 37 -6.329 5.151 11.559 300 H ALA 38 HN ALA 38 -7.520 9.023 9.582 301 HA ALA 38 HA ALA 38 -10.124 9.912 10.162 302 HB1 ALA 38 HB1 ALA 38 -9.100 12.169 10.192 303 HB2 ALA 38 HB2 ALA 38 -7.601 11.444 9.609 304 HB3 ALA 38 HB3 ALA 38 -8.248 10.987 11.184 305 H ALA 39 HN ALA 39 -8.299 9.654 7.243 306 HA ALA 39 HA ALA 39 -9.970 11.521 5.785 307 HB1 ALA 39 HB1 ALA 39 -7.825 9.611 4.855 308 HB2 ALA 39 HB2 ALA 39 -7.644 11.339 5.159 309 HB3 ALA 39 HB3 ALA 39 -8.655 10.779 3.827 310 H VAL 40 HN VAL 40 -9.832 8.162 6.559 311 HA VAL 40 HA VAL 40 -11.765 7.391 4.501 312 HB VAL 40 HB VAL 40 -10.907 5.591 6.726 313 HG11 VAL 40 HG11 VAL 40 -11.459 5.114 3.807 314 HG12 VAL 40 HG12 VAL 40 -12.602 4.854 5.124 315 HG13 VAL 40 HG13 VAL 40 -11.137 3.877 5.020 316 HG21 VAL 40 HG21 VAL 40 -8.923 4.891 5.461 317 HG22 VAL 40 HG22 VAL 40 -8.805 6.582 5.951 318 HG23 VAL 40 HG23 VAL 40 -9.221 6.170 4.286 319 H ARG 41 HN ARG 41 -12.769 9.271 5.969 320 HA ARG 41 HA ARG 41 -14.112 8.693 8.358 321 HB2 ARG 41 HB2 ARG 41 -15.210 10.759 8.095 322 HB3 ARG 41 HB1 ARG 41 -13.626 10.962 7.367 323 HG2 ARG 41 HG2 ARG 41 -16.130 10.380 5.793 324 HG3 ARG 41 HG1 ARG 41 -15.514 12.002 6.109 325 HD2 ARG 41 HD2 ARG 41 -13.297 10.946 5.121 326 HD3 ARG 41 HD1 ARG 41 -14.449 9.870 4.337 327 HE ARG 41 HE ARG 41 -15.515 11.937 3.438 328 HH11 ARG 41 HH11 ARG 41 -12.131 11.921 4.363 329 HH12 ARG 41 HH12 ARG 41 -11.720 13.267 3.353 330 HH21 ARG 41 HH21 ARG 41 -14.951 13.692 2.071 331 HH22 ARG 41 HH22 ARG 41 -13.316 14.260 2.041 332 H ARG 42 HN ARG 42 -14.703 6.869 5.855 333 HA ARG 42 HA ARG 42 -17.628 7.098 5.950 334 HB2 ARG 42 HB2 ARG 42 -15.811 6.566 3.844 335 HB3 ARG 42 HB1 ARG 42 -16.740 5.094 4.104 336 HG2 ARG 42 HG2 ARG 42 -17.749 6.569 2.425 337 HG3 ARG 42 HG1 ARG 42 -18.808 6.304 3.812 338 HD2 ARG 42 HD2 ARG 42 -17.499 8.513 4.629 339 HD3 ARG 42 HD1 ARG 42 -17.466 8.764 2.886 340 HE ARG 42 HE ARG 42 -19.947 8.478 2.984 341 HH11 ARG 42 HH11 ARG 42 -18.203 9.488 5.845 342 HH12 ARG 42 HH12 ARG 42 -19.533 10.390 6.492 343 HH21 ARG 42 HH21 ARG 42 -21.697 9.662 3.833 344 HH22 ARG 42 HH22 ARG 42 -21.520 10.484 5.353 345 H LYS 43 HN LYS 43 -18.925 5.210 6.236 346 HA LYS 43 HA LYS 43 -18.152 3.549 8.356 347 HB2 LYS 43 HB2 LYS 43 -20.439 3.537 8.225 348 HB3 LYS 43 HB1 LYS 43 -20.443 3.652 6.468 349 HG2 LYS 43 HG2 LYS 43 -19.885 1.285 6.295 350 HG3 LYS 43 HG1 LYS 43 -19.839 1.160 8.054 351 HD2 LYS 43 HD2 LYS 43 -22.261 1.992 7.985 352 HD3 LYS 43 HD1 LYS 43 -22.203 1.605 6.263 353 HE2 LYS 43 HE2 LYS 43 -21.554 -0.700 6.818 354 HE3 LYS 43 HE1 LYS 43 -21.645 -0.305 8.532 355 HZ1 LYS 43 HZ1 LYS 43 -24.055 0.365 7.950 356 HZ2 LYS 43 HZ2 LYS 43 -23.674 -1.272 8.130 357 HZ3 LYS 43 HZ3 LYS 43 -23.828 -0.609 6.583 358 H ASN 44 HN ASN 44 -18.256 3.017 4.889 359 HA ASN 44 HA ASN 44 -17.307 0.323 5.073 360 HB2 ASN 44 HB2 ASN 44 -17.022 0.728 2.505 361 HB3 ASN 44 HB1 ASN 44 -18.631 0.599 3.194 362 HD21 ASN 44 HD21 ASN 44 -19.982 2.342 3.155 363 HD22 ASN 44 HD22 ASN 44 -19.600 3.820 2.339 364 H PHE 45 HN PHE 45 -15.496 1.193 6.487 365 HA PHE 45 HA PHE 45 -13.300 2.526 5.297 366 HB2 PHE 45 HB2 PHE 45 -13.715 2.285 7.788 367 HB3 PHE 45 HB1 PHE 45 -13.207 0.608 7.647 368 HD1 PHE 45 HD1 PHE 45 -10.874 0.235 6.587 369 HD2 PHE 45 HD2 PHE 45 -12.115 3.904 8.333 370 HE1 PHE 45 HE1 PHE 45 -8.528 0.865 6.873 371 HE2 PHE 45 HE2 PHE 45 -9.773 4.565 8.618 372 HZ PHE 45 HZ PHE 45 -7.963 3.046 7.893 373 H LYS 46 HN LYS 46 -12.086 1.811 3.756 374 HA LYS 46 HA LYS 46 -12.172 -0.798 2.721 375 HB2 LYS 46 HB2 LYS 46 -11.022 1.745 2.066 376 HB3 LYS 46 HB1 LYS 46 -9.854 0.461 1.768 377 HG2 LYS 46 HG2 LYS 46 -10.903 -0.098 -0.095 378 HG3 LYS 46 HG1 LYS 46 -12.380 -0.398 0.812 379 HD2 LYS 46 HD2 LYS 46 -12.328 2.342 0.683 380 HD3 LYS 46 HD1 LYS 46 -11.671 1.871 -0.885 381 HE2 LYS 46 HE2 LYS 46 -14.331 1.171 0.315 382 HE3 LYS 46 HE1 LYS 46 -13.993 2.013 -1.197 383 HZ1 LYS 46 HZ1 LYS 46 -13.437 -0.847 -0.633 384 HZ2 LYS 46 HZ2 LYS 46 -13.047 -0.048 -2.075 385 HZ3 LYS 46 HZ3 LYS 46 -14.668 -0.250 -1.628 386 HA PRO 47 HA PRO 47 -9.025 -3.258 4.501 387 HB2 PRO 47 HB2 PRO 47 -7.110 -2.805 2.266 388 HB3 PRO 47 HB1 PRO 47 -7.674 -4.327 2.989 389 HG2 PRO 47 HG2 PRO 47 -8.632 -3.567 0.658 390 HG3 PRO 47 HG1 PRO 47 -9.712 -4.260 1.881 391 HD2 PRO 47 HD2 PRO 47 -9.337 -1.398 1.102 392 HD3 PRO 47 HD1 PRO 47 -10.836 -2.256 1.474 393 H THR 48 HN THR 48 -6.976 -3.355 5.483 394 HA THR 48 HA THR 48 -6.360 -0.843 6.683 395 HB THR 48 HB THR 48 -5.129 -2.108 8.264 396 HG1 THR 48 HG1 THR 48 -4.612 -4.326 7.846 397 HG21 THR 48 HG21 THR 48 -6.767 -3.569 9.041 398 HG22 THR 48 HG22 THR 48 -7.231 -4.039 7.401 399 HG23 THR 48 HG23 THR 48 -7.674 -2.446 8.021 400 H LYS 49 HN LYS 49 -3.902 -0.901 7.408 401 HA LYS 49 HA LYS 49 -2.482 0.286 5.373 402 HB2 LYS 49 HB2 LYS 49 -0.492 -0.265 7.020 403 HB3 LYS 49 HB1 LYS 49 -1.699 0.957 7.383 404 HG2 LYS 49 HG2 LYS 49 -2.689 -1.490 8.379 405 HG3 LYS 49 HG1 LYS 49 -0.995 -1.368 8.866 406 HD2 LYS 49 HD2 LYS 49 -2.051 -0.244 10.582 407 HD3 LYS 49 HD1 LYS 49 -1.634 1.076 9.486 408 HE2 LYS 49 HE2 LYS 49 -3.960 0.722 8.486 409 HE3 LYS 49 HE1 LYS 49 -4.302 -0.222 9.934 410 HZ1 LYS 49 HZ1 LYS 49 -4.779 2.354 9.810 411 HZ2 LYS 49 HZ2 LYS 49 -3.152 2.446 10.288 412 HZ3 LYS 49 HZ3 LYS 49 -4.270 1.612 11.248 413 H TYR 50 HN TYR 50 -2.969 -3.056 5.691 414 HA TYR 50 HA TYR 50 -0.360 -3.760 4.661 415 HB2 TYR 50 HB2 TYR 50 -2.881 -5.311 5.087 416 HB3 TYR 50 HB1 TYR 50 -1.478 -6.010 4.299 417 HD1 TYR 50 HD1 TYR 50 0.708 -6.026 5.611 418 HD2 TYR 50 HD2 TYR 50 -3.084 -5.326 7.400 419 HE1 TYR 50 HE1 TYR 50 1.617 -6.737 7.773 420 HE2 TYR 50 HE2 TYR 50 -2.178 -6.022 9.592 421 HH TYR 50 HH TYR 50 0.054 -7.819 10.108 422 H SER 51 HN SER 51 -3.550 -2.990 3.420 423 HA SER 51 HA SER 51 -3.000 -4.048 0.812 424 HB2 SER 51 HB2 SER 51 -4.989 -2.540 0.157 425 HB3 SER 51 HB1 SER 51 -5.288 -3.918 1.211 426 HG SER 51 HG SER 51 -5.214 -2.463 2.974 427 H SER 52 HN SER 52 -3.163 -2.428 -1.126 428 HA SER 52 HA SER 52 -1.156 -0.385 -0.564 429 HB2 SER 52 HB2 SER 52 -0.990 -0.767 -3.229 430 HB3 SER 52 HB1 SER 52 -0.083 -1.693 -2.030 431 HG SER 52 HG SER 52 -1.051 -3.349 -3.055 432 H ILE 53 HN ILE 53 -1.261 1.642 -1.442 433 HA ILE 53 HA ILE 53 -3.956 2.512 -2.272 434 HB ILE 53 HB ILE 53 -1.849 4.017 -0.682 435 HG12 ILE 53 HG12 ILE 53 -3.771 4.067 1.032 436 HG13 ILE 53 HG11 ILE 53 -4.488 2.776 0.084 437 HG21 ILE 53 HG21 ILE 53 -2.952 5.609 -2.059 438 HG22 ILE 53 HG22 ILE 53 -3.611 5.761 -0.423 439 HG23 ILE 53 HG23 ILE 53 -4.537 4.927 -1.670 440 HD11 ILE 53 HD11 ILE 53 -2.030 2.749 1.777 441 HD12 ILE 53 HD12 ILE 53 -2.162 1.632 0.418 442 HD13 ILE 53 HD13 ILE 53 -3.365 1.595 1.708 443 H CYS 54 HN CYS 54 -3.855 4.588 -3.710 444 HA CYS 54 HA CYS 54 -1.558 4.295 -5.489 445 HB2 CYS 54 HB2 CYS 54 -2.952 4.774 -7.358 446 HB3 CYS 54 HB1 CYS 54 -3.702 3.500 -6.421 447 H SER 55 HN SER 55 -0.967 6.154 -6.758 448 HA SER 55 HA SER 55 0.030 8.195 -5.243 449 HB2 SER 55 HB2 SER 55 0.417 9.322 -7.493 450 HB3 SER 55 HB1 SER 55 1.032 7.678 -7.297 451 HG SER 55 HG SER 55 -0.485 8.482 -9.196 452 H GLU 56 HN GLU 56 -2.637 8.675 -7.525 453 HA GLU 56 HA GLU 56 -3.184 11.279 -7.383 454 HB2 GLU 56 HB2 GLU 56 -5.708 10.403 -7.384 455 HB3 GLU 56 HB1 GLU 56 -4.634 10.216 -8.769 456 HG2 GLU 56 HG2 GLU 56 -4.350 7.983 -8.428 457 HG3 GLU 56 HG1 GLU 56 -4.608 8.102 -6.700 458 H HIS 57 HN HIS 57 -3.533 9.246 -4.621 459 HA HIS 57 HA HIS 57 -5.487 10.960 -3.360 460 HB2 HIS 57 HB2 HIS 57 -3.958 8.574 -2.331 461 HB3 HIS 57 HB1 HIS 57 -5.216 9.428 -1.427 462 HD1 HIS 57 HD1 HIS 57 -7.541 9.671 -3.118 463 HD2 HIS 57 HD2 HIS 57 -4.979 6.428 -3.560 464 HE1 HIS 57 HE1 HIS 57 -8.863 7.891 -4.325 465 H PHE 58 HN PHE 58 -2.049 10.960 -3.544 466 HA PHE 58 HA PHE 58 -2.049 12.993 -1.423 467 HB2 PHE 58 HB2 PHE 58 0.538 11.831 -1.419 468 HB3 PHE 58 HB1 PHE 58 -0.653 11.818 -0.115 469 HD1 PHE 58 HD1 PHE 58 0.712 10.019 -2.956 470 HD2 PHE 58 HD2 PHE 58 -1.895 9.821 0.385 471 HE1 PHE 58 HE1 PHE 58 0.596 7.595 -3.213 472 HE2 PHE 58 HE2 PHE 58 -2.029 7.377 0.140 473 HZ PHE 58 HZ PHE 58 -0.778 6.257 -1.661 474 H THR 59 HN THR 59 -0.178 14.430 -1.539 475 HA THR 59 HA THR 59 0.207 15.333 -4.219 476 HB THR 59 HB THR 59 1.849 16.911 -2.897 477 HG1 THR 59 HG1 THR 59 0.958 17.059 -0.670 478 HG21 THR 59 HG21 THR 59 -1.155 16.896 -2.622 479 HG22 THR 59 HG22 THR 59 -0.198 17.682 -3.881 480 HG23 THR 59 HG23 THR 59 -0.129 18.277 -2.223 481 HA PRO 60 HA PRO 60 3.853 13.221 -5.505 482 HB2 PRO 60 HB2 PRO 60 5.235 15.580 -6.269 483 HB3 PRO 60 HB1 PRO 60 4.224 14.568 -7.312 484 HG2 PRO 60 HG2 PRO 60 3.515 17.058 -5.847 485 HG3 PRO 60 HG1 PRO 60 2.994 16.503 -7.450 486 HD2 PRO 60 HD2 PRO 60 1.340 16.342 -5.412 487 HD3 PRO 60 HD1 PRO 60 1.478 14.977 -6.540 488 H ASP 61 HN ASP 61 4.090 16.137 -3.590 489 HA ASP 61 HA ASP 61 6.733 15.940 -2.678 490 HB2 ASP 61 HB2 ASP 61 4.409 16.863 -0.991 491 HB3 ASP 61 HB1 ASP 61 6.087 17.371 -0.867 492 H SER 62 HN SER 62 3.758 14.580 -1.393 493 HA SER 62 HA SER 62 5.182 13.217 0.740 494 HB2 SER 62 HB2 SER 62 2.812 14.446 0.745 495 HB3 SER 62 HB1 SER 62 2.271 12.817 0.340 496 HG SER 62 HG SER 62 2.582 12.295 2.343 497 H PHE 63 HN PHE 63 4.587 12.575 -2.395 498 HA PHE 63 HA PHE 63 3.323 10.276 -2.789 499 HB2 PHE 63 HB2 PHE 63 5.715 11.374 -4.054 500 HB3 PHE 63 HB1 PHE 63 5.487 9.653 -4.267 501 HD1 PHE 63 HD2 PHE 63 2.275 10.224 -4.097 502 HD2 PHE 63 HD1 PHE 63 5.528 11.507 -6.520 503 HE1 PHE 63 HE2 PHE 63 0.719 10.663 -5.919 504 HE2 PHE 63 HE1 PHE 63 3.965 11.943 -8.370 505 HZ PHE 63 HZ PHE 63 1.557 11.529 -8.068 506 H LYS 64 HN LYS 64 6.768 10.108 -1.664 507 HA LYS 64 HA LYS 64 6.256 7.821 -0.090 508 HB2 LYS 64 HB2 LYS 64 7.349 6.070 -1.444 509 HB3 LYS 64 HB1 LYS 64 5.865 6.665 -2.162 510 HG2 LYS 64 HG2 LYS 64 7.120 7.992 -3.750 511 HG3 LYS 64 HG1 LYS 64 8.638 7.496 -2.997 512 HD2 LYS 64 HD2 LYS 64 8.511 6.033 -4.770 513 HD3 LYS 64 HD1 LYS 64 7.761 5.087 -3.484 514 HE2 LYS 64 HE2 LYS 64 5.553 6.135 -4.341 515 HE3 LYS 64 HE1 LYS 64 6.483 6.493 -5.794 516 HZ1 LYS 64 HZ1 LYS 64 7.078 4.067 -5.824 517 HZ2 LYS 64 HZ2 LYS 64 5.461 4.414 -6.157 518 HZ3 LYS 64 HZ3 LYS 64 5.901 3.827 -4.629 519 H ARG 65 HN ARG 65 8.894 6.574 -1.075 520 HA ARG 65 HA ARG 65 10.577 7.636 0.878 521 HB2 ARG 65 HB2 ARG 65 12.395 6.344 -0.369 522 HB3 ARG 65 HB1 ARG 65 11.026 5.429 0.241 523 HG2 ARG 65 HG2 ARG 65 10.097 5.830 -2.191 524 HG3 ARG 65 HG1 ARG 65 11.809 6.043 -2.565 525 HD2 ARG 65 HD2 ARG 65 11.125 3.701 -0.903 526 HD3 ARG 65 HD1 ARG 65 10.545 3.659 -2.565 527 HE ARG 65 HE ARG 65 13.129 4.307 -2.910 528 HH11 ARG 65 HH11 ARG 65 11.598 1.798 -0.985 529 HH12 ARG 65 HH12 ARG 65 12.927 0.694 -1.128 530 HH21 ARG 65 HH21 ARG 65 14.884 2.839 -3.116 531 HH22 ARG 65 HH22 ARG 65 14.804 1.287 -2.345 532 H GLU 66 HN GLU 66 9.866 8.901 -2.157 533 HA GLU 66 HA GLU 66 12.389 10.263 -2.524 534 HB2 GLU 66 HB2 GLU 66 10.086 9.676 -4.153 535 HB3 GLU 66 HB1 GLU 66 10.431 11.402 -4.199 536 HG2 GLU 66 HG2 GLU 66 12.824 10.768 -4.704 537 HG3 GLU 66 HG1 GLU 66 12.229 9.127 -4.961 538 H SER 67 HN SER 67 10.060 10.668 -0.380 539 HA SER 67 HA SER 67 9.372 13.420 -0.610 540 HB2 SER 67 HB2 SER 67 7.870 11.942 0.510 541 HB3 SER 67 HB1 SER 67 9.128 11.352 1.580 542 HG SER 67 HG SER 67 8.071 12.757 2.813 543 H ASN 68 HN ASN 68 10.208 12.986 2.573 544 HA ASN 68 HA ASN 68 12.269 14.978 2.431 545 HB2 ASN 68 HB2 ASN 68 10.464 13.956 4.420 546 HB3 ASN 68 HB1 ASN 68 12.102 13.976 5.063 547 HD21 ASN 68 HD21 ASN 68 12.015 15.655 6.406 548 HD22 ASN 68 HD22 ASN 68 11.617 17.271 5.943 549 H ASN 69 HN ASN 69 12.311 12.056 4.430 550 HA ASN 69 HA ASN 69 15.172 11.795 3.833 551 HB2 ASN 69 HB2 ASN 69 14.674 11.917 6.201 552 HB3 ASN 69 HB1 ASN 69 13.484 10.630 6.062 553 HD21 ASN 69 HD21 ASN 69 14.236 8.931 7.089 554 HD22 ASN 69 HD22 ASN 69 15.828 8.274 6.937 555 H LYS 70 HN LYS 70 12.516 9.522 4.530 556 HA LYS 70 HA LYS 70 13.207 8.028 2.136 557 HB2 LYS 70 HB2 LYS 70 14.537 7.236 4.234 558 HB3 LYS 70 HB1 LYS 70 13.016 6.489 4.697 559 HG2 LYS 70 HG2 LYS 70 14.260 4.825 3.591 560 HG3 LYS 70 HG1 LYS 70 13.023 5.349 2.450 561 HD2 LYS 70 HD2 LYS 70 14.996 5.193 1.181 562 HD3 LYS 70 HD1 LYS 70 14.796 6.917 1.499 563 HE2 LYS 70 HE2 LYS 70 16.417 6.805 3.296 564 HE3 LYS 70 HE1 LYS 70 16.557 5.061 3.096 565 HZ1 LYS 70 HZ1 LYS 70 18.386 6.274 2.061 566 HZ2 LYS 70 HZ2 LYS 70 17.303 7.078 1.044 567 HZ3 LYS 70 HZ3 LYS 70 17.500 5.402 0.916 568 H LEU 71 HN LEU 71 10.866 9.375 3.975 569 HA LEU 71 HA LEU 71 8.851 7.742 2.695 570 HB2 LEU 71 HB2 LEU 71 9.509 7.298 5.390 571 HB3 LEU 71 HB1 LEU 71 7.991 8.174 5.402 572 HG LEU 71 HG LEU 71 8.473 5.393 4.859 573 HD11 LEU 71 HD11 LEU 71 6.038 5.292 5.099 574 HD12 LEU 71 HD12 LEU 71 5.977 7.054 5.051 575 HD13 LEU 71 HD13 LEU 71 6.801 6.239 6.377 576 HD21 LEU 71 HD21 LEU 71 8.493 5.855 2.513 577 HD22 LEU 71 HD22 LEU 71 7.096 6.925 2.658 578 HD23 LEU 71 HD23 LEU 71 6.909 5.192 2.918 579 H LEU 72 HN LEU 72 6.574 8.649 3.399 580 HA LEU 72 HA LEU 72 6.367 11.222 2.334 581 HB2 LEU 72 HB2 LEU 72 4.171 10.494 4.120 582 HB3 LEU 72 HB1 LEU 72 4.143 10.900 2.412 583 HG LEU 72 HG LEU 72 5.243 8.385 2.354 584 HD11 LEU 72 HD11 LEU 72 4.328 6.994 3.914 585 HD12 LEU 72 HD12 LEU 72 2.973 8.071 4.235 586 HD13 LEU 72 HD13 LEU 72 4.566 8.444 4.897 587 HD21 LEU 72 HD21 LEU 72 3.475 9.176 0.892 588 HD22 LEU 72 HD22 LEU 72 2.327 9.145 2.232 589 HD23 LEU 72 HD23 LEU 72 3.016 7.640 1.625 590 H LYS 73 HN LYS 73 5.297 13.089 3.351 591 HA LYS 73 HA LYS 73 6.720 13.805 5.747 592 HB2 LYS 73 HB2 LYS 73 4.912 15.849 5.334 593 HB3 LYS 73 HB1 LYS 73 6.571 15.824 4.784 594 HG2 LYS 73 HG2 LYS 73 4.326 14.753 3.106 595 HG3 LYS 73 HG1 LYS 73 4.754 16.459 3.112 596 HD2 LYS 73 HD2 LYS 73 6.554 14.163 2.348 597 HD3 LYS 73 HD1 LYS 73 5.798 15.306 1.241 598 HE2 LYS 73 HE2 LYS 73 7.707 16.159 3.412 599 HE3 LYS 73 HE1 LYS 73 8.242 15.688 1.804 600 HZ1 LYS 73 HZ1 LYS 73 7.070 17.488 0.841 601 HZ2 LYS 73 HZ2 LYS 73 7.938 18.120 2.142 602 HZ3 LYS 73 HZ3 LYS 73 6.278 17.859 2.289 603 H GLU 74 HN GLU 74 6.043 13.518 7.655 604 HA GLU 74 HA GLU 74 3.837 12.126 8.482 605 HB2 GLU 74 HB2 GLU 74 4.417 12.674 10.689 606 HB3 GLU 74 HB1 GLU 74 5.930 12.674 9.798 607 HG2 GLU 74 HG2 GLU 74 4.390 15.202 10.257 608 HG3 GLU 74 HG1 GLU 74 5.469 14.556 11.490 609 H ASN 75 HN ASN 75 4.004 15.491 7.744 610 HA ASN 75 HA ASN 75 1.477 16.079 9.068 611 HB2 ASN 75 HB2 ASN 75 3.677 17.653 7.891 612 HB3 ASN 75 HB1 ASN 75 2.069 18.347 7.729 613 HD21 ASN 75 HD21 ASN 75 2.701 16.298 10.412 614 HD22 ASN 75 HD22 ASN 75 2.789 17.536 11.605 615 H ALA 76 HN ALA 76 2.181 14.577 6.311 616 HA ALA 76 HA ALA 76 -0.043 15.841 4.844 617 HB1 ALA 76 HB1 ALA 76 2.265 14.308 3.633 618 HB2 ALA 76 HB2 ALA 76 2.154 16.066 3.718 619 HB3 ALA 76 HB3 ALA 76 0.982 15.157 2.766 620 H VAL 77 HN VAL 77 -1.760 14.715 4.518 621 HA VAL 77 HA VAL 77 -1.641 11.789 4.470 622 HB VAL 77 HB VAL 77 -2.421 12.039 6.634 623 HG11 VAL 77 HG11 VAL 77 -3.791 13.740 7.518 624 HG12 VAL 77 HG12 VAL 77 -4.239 14.312 5.904 625 HG13 VAL 77 HG13 VAL 77 -2.589 14.528 6.490 626 HG21 VAL 77 HG21 VAL 77 -4.888 12.040 4.906 627 HG22 VAL 77 HG22 VAL 77 -4.903 11.695 6.636 628 HG23 VAL 77 HG23 VAL 77 -4.013 10.646 5.535 629 HA PRO 78 HA PRO 78 -3.767 12.101 0.622 630 HB2 PRO 78 HB2 PRO 78 -5.447 9.885 1.012 631 HB3 PRO 78 HB1 PRO 78 -3.808 9.840 0.337 632 HG2 PRO 78 HG2 PRO 78 -4.720 9.301 3.104 633 HG3 PRO 78 HG1 PRO 78 -3.454 8.507 2.145 634 HD2 PRO 78 HD2 PRO 78 -2.804 10.225 4.050 635 HD3 PRO 78 HD1 PRO 78 -1.921 10.218 2.510 636 H THR 79 HN THR 79 -4.976 13.949 0.791 637 HA THR 79 HA THR 79 -7.636 13.742 2.006 638 HB THR 79 HB THR 79 -6.116 15.675 2.587 639 HG1 THR 79 HG1 THR 79 -8.598 16.352 1.349 640 HG21 THR 79 HG21 THR 79 -6.815 16.678 -0.160 641 HG22 THR 79 HG22 THR 79 -5.255 15.979 0.261 642 HG23 THR 79 HG23 THR 79 -5.793 17.466 1.044 643 H ILE 80 HN ILE 80 -6.032 13.630 -0.951 644 HA ILE 80 HA ILE 80 -8.070 14.706 -2.637 645 HB ILE 80 HB ILE 80 -6.104 12.742 -3.706 646 HG12 ILE 80 HG12 ILE 80 -5.232 14.718 -1.952 647 HG13 ILE 80 HG11 ILE 80 -4.244 13.871 -3.133 648 HG21 ILE 80 HG21 ILE 80 -6.033 14.401 -5.550 649 HG22 ILE 80 HG22 ILE 80 -7.217 15.371 -4.671 650 HG23 ILE 80 HG23 ILE 80 -7.645 13.756 -5.237 651 HD11 ILE 80 HD11 ILE 80 -5.624 16.515 -3.537 652 HD12 ILE 80 HD12 ILE 80 -4.672 15.662 -4.751 653 HD13 ILE 80 HD13 ILE 80 -3.897 16.256 -3.282 654 H PHE 81 HN PHE 81 -8.286 12.164 -0.725 655 HA PHE 81 HA PHE 81 -8.939 9.871 -2.044 656 HB2 PHE 81 HB2 PHE 81 -9.950 11.126 0.457 657 HB3 PHE 81 HB1 PHE 81 -10.812 9.729 -0.169 658 HD1 PHE 81 HD2 PHE 81 -7.535 9.213 -1.174 659 HD2 PHE 81 HD1 PHE 81 -9.941 9.219 2.339 660 HE1 PHE 81 HE2 PHE 81 -5.931 7.721 -0.075 661 HE2 PHE 81 HE1 PHE 81 -8.327 7.728 3.440 662 HZ PHE 81 HZ PHE 81 -6.317 6.980 2.235 663 H LEU 82 HN LEU 82 -11.235 12.546 -1.444 664 HA LEU 82 HA LEU 82 -12.662 11.997 -3.854 665 HB2 LEU 82 HB2 LEU 82 -13.432 10.560 -1.523 666 HB3 LEU 82 HB1 LEU 82 -14.666 11.758 -1.825 667 HG LEU 82 HG LEU 82 -14.487 9.229 -2.946 668 HD11 LEU 82 HD11 LEU 82 -16.570 10.171 -2.639 669 HD12 LEU 82 HD12 LEU 82 -16.387 10.157 -4.393 670 HD13 LEU 82 HD13 LEU 82 -16.145 11.651 -3.492 671 HD21 LEU 82 HD21 LEU 82 -14.011 11.236 -5.140 672 HD22 LEU 82 HD22 LEU 82 -14.239 9.498 -5.302 673 HD23 LEU 82 HD23 LEU 82 -12.784 10.125 -4.532 674 H GLU 83 HN GLU 83 -14.566 13.446 -4.074 675 HA GLU 83 HA GLU 83 -13.973 16.049 -3.058 676 HB2 GLU 83 HB2 GLU 83 -14.889 15.604 -5.344 677 HB3 GLU 83 HB1 GLU 83 -16.406 15.122 -4.597 678 HG2 GLU 83 HG2 GLU 83 -16.728 17.327 -5.293 679 HG3 GLU 83 HG1 GLU 83 -16.461 17.424 -3.551 680 H LEU 84 HN LEU 84 -16.798 13.896 -2.801 681 HA LEU 84 HA LEU 84 -17.184 14.554 -0.038 682 HB2 LEU 84 HB2 LEU 84 -18.216 16.430 -1.569 683 HB3 LEU 84 HB1 LEU 84 -19.501 15.262 -1.795 684 HG LEU 84 HG LEU 84 -19.816 17.049 0.017 685 HD11 LEU 84 HD11 LEU 84 -20.896 15.441 1.564 686 HD12 LEU 84 HD12 LEU 84 -20.147 14.127 0.659 687 HD13 LEU 84 HD13 LEU 84 -21.316 15.185 -0.131 688 HD21 LEU 84 HD21 LEU 84 -18.807 16.726 2.131 689 HD22 LEU 84 HD22 LEU 84 -17.499 16.705 0.948 690 HD23 LEU 84 HD23 LEU 84 -18.092 15.193 1.635 691 H VAL 85 HN VAL 85 -19.236 13.525 -2.773 692 HA VAL 85 HA VAL 85 -19.298 10.819 -1.814 693 HB VAL 85 HB VAL 85 -21.001 11.674 -0.379 694 HG11 VAL 85 HG11 VAL 85 -22.431 12.795 -2.779 695 HG12 VAL 85 HG12 VAL 85 -21.439 13.755 -1.683 696 HG13 VAL 85 HG13 VAL 85 -22.895 12.957 -1.085 697 HG21 VAL 85 HG21 VAL 85 -23.018 10.468 -1.175 698 HG22 VAL 85 HG22 VAL 85 -21.535 9.520 -1.284 699 HG23 VAL 85 HG23 VAL 85 -22.219 10.254 -2.734 700 HA PRO 86 HA PRO 86 -19.643 10.313 -6.228 701 HB2 PRO 86 HB2 PRO 86 -20.248 7.512 -5.721 702 HB3 PRO 86 HB1 PRO 86 -18.782 8.220 -6.415 703 HG2 PRO 86 HG2 PRO 86 -18.890 7.034 -3.974 704 HG3 PRO 86 HG1 PRO 86 -17.707 8.270 -4.438 705 HD2 PRO 86 HD2 PRO 86 -20.132 8.526 -2.736 706 HD3 PRO 86 HD1 PRO 86 -18.585 9.384 -2.649 707 H ARG 87 HN ARG 87 -21.145 8.991 -7.732 708 HA ARG 87 HA ARG 87 -23.887 8.881 -6.723 709 HB2 ARG 87 HB2 ARG 87 -24.610 10.013 -8.910 710 HB3 ARG 87 HB1 ARG 87 -23.950 11.037 -7.645 711 HG2 ARG 87 HG2 ARG 87 -22.209 11.673 -8.898 712 HG3 ARG 87 HG1 ARG 87 -21.945 10.045 -9.524 713 HD2 ARG 87 HD2 ARG 87 -22.593 11.717 -11.257 714 HD3 ARG 87 HD1 ARG 87 -23.657 10.319 -11.166 715 HE ARG 87 HE ARG 87 -24.335 12.903 -9.911 716 HH11 ARG 87 HH11 ARG 87 -25.204 10.116 -11.855 717 HH12 ARG 87 HH12 ARG 87 -26.840 10.642 -12.094 718 HH21 ARG 87 HH21 ARG 87 -26.500 13.582 -10.229 719 HH22 ARG 87 HH22 ARG 87 -27.571 12.598 -11.178 720 H5' DG 1 H5' G 1 32.501 -0.957 -8.095 721 H5'' DG 1 H5'' G 1 31.589 -1.493 -9.517 722 H4' DG 1 H4' G 1 32.149 -3.420 -8.265 723 H3' DG 1 H3' G 1 29.620 -3.136 -9.003 724 H2' DG 1 H2' G 1 28.799 -1.889 -7.125 725 H2'' DG 1 H2'' G 1 28.403 -3.528 -6.630 726 H1' DG 1 H1' G 1 30.269 -3.695 -5.174 727 H8 DG 1 H8 G 1 29.713 -0.012 -6.236 728 H1 DG 1 H1 G 1 30.030 -1.095 0.071 729 H21 DG 1 H21 G 1 30.677 -4.394 -0.819 730 H22 DG 1 H22 G 1 30.468 -3.221 0.459 731 HO5' DG 1 H5T G 1 29.832 -0.546 -8.777 732 H5' DC 2 H5' C 2 30.385 -6.458 -5.876 733 H5'' DC 2 H5'' C 2 29.922 -7.932 -6.750 734 H4' DC 2 H4' C 2 29.699 -8.492 -4.500 735 H3' DC 2 H3' C 2 27.497 -8.808 -5.943 736 H2' DC 2 H2' C 2 26.521 -6.635 -5.672 737 H2'' DC 2 H2'' C 2 25.726 -7.513 -4.372 738 H1' DC 2 H1' C 2 27.169 -6.652 -2.702 739 H41 DC 2 H41 C 2 26.475 -0.441 -4.865 740 H42 DC 2 H42 C 2 26.564 -0.380 -3.126 741 H5 DC 2 H5 C 2 26.716 -2.511 -6.129 742 H6 DC 2 H6 C 2 27.159 -4.906 -5.961 743 H5' DT 3 H5' T 3 27.111 -9.168 -1.356 744 H5'' DT 3 H5'' T 3 26.631 -10.871 -1.204 745 H4' DT 3 H4' T 3 25.992 -9.909 0.814 746 H3' DT 3 H3' T 3 24.015 -11.068 -0.523 747 H2' DT 3 H2' T 3 23.267 -9.204 -1.831 748 H2'' DT 3 H2'' T 3 22.187 -9.081 -0.446 749 H1' DT 3 H1' T 3 23.446 -7.367 0.578 750 H3 DT 3 H3 T 3 23.685 -3.492 -1.595 751 H71 DT 3 H71 T 3 22.846 -6.478 -5.442 752 H72 DT 3 H72 T 3 24.394 -7.341 -5.284 753 H73 DT 3 H73 T 3 24.381 -5.606 -5.677 754 H6 DT 3 H6 T 3 24.085 -8.041 -2.988 755 H5' DT 4 H5' T 4 23.084 -8.521 3.130 756 H5'' DT 4 H5'' T 4 22.424 -9.738 4.237 757 H4' DT 4 H4' T 4 21.759 -7.718 5.156 758 H3' DT 4 H3' T 4 19.751 -9.349 4.576 759 H2' DT 4 H2' T 4 19.290 -8.649 2.333 760 H2'' DT 4 H2'' T 4 18.154 -7.645 3.219 761 H1' DT 4 H1' T 4 19.530 -5.731 3.119 762 H3 DT 4 H3 T 4 20.316 -4.029 -0.905 763 H71 DT 4 H71 T 4 20.855 -9.377 -1.307 764 H72 DT 4 H72 T 4 21.371 -8.272 -2.604 765 H73 DT 4 H73 T 4 19.644 -8.634 -2.380 766 H6 DT 4 H6 T 4 20.360 -8.482 0.804 767 H5' DG 5 H5' G 5 18.933 -5.016 6.028 768 H5'' DG 5 H5'' G 5 18.015 -5.344 7.511 769 H4' DG 5 H4' G 5 17.531 -3.128 7.000 770 H3' DG 5 H3' G 5 15.392 -4.672 7.178 771 H2' DG 5 H2' G 5 15.246 -5.415 4.899 772 H2'' DG 5 H2'' G 5 14.163 -4.024 4.864 773 H1' DG 5 H1' G 5 15.775 -2.603 3.868 774 H8 DG 5 H8 G 5 16.898 -6.306 3.602 775 H1 DG 5 H1 G 5 16.950 -2.926 -1.852 776 H21 DG 5 H21 G 5 16.039 -0.264 0.181 777 H22 DG 5 H22 G 5 16.466 -0.817 -1.436 778 H5' DT 6 H5' T 6 14.597 -0.424 5.292 779 H5'' DT 6 H5'' T 6 13.527 0.222 6.553 780 H4' DT 6 H4' T 6 12.989 1.452 4.655 781 H3' DT 6 H3' T 6 10.942 0.167 5.733 782 H2' DT 6 H2' T 6 11.112 -1.907 4.554 783 H2'' DT 6 H2'' T 6 9.942 -1.060 3.563 784 H1' DT 6 H1' T 6 11.560 -0.462 1.925 785 H3 DT 6 H3 T 6 13.633 -3.767 -0.272 786 H71 DT 6 H71 T 6 12.288 -6.435 3.502 787 H72 DT 6 H72 T 6 12.843 -5.384 4.828 788 H73 DT 6 H73 T 6 14.028 -6.204 3.786 789 H6 DT 6 H6 T 6 12.325 -3.167 4.276 790 H5' DG 7 H5' G 7 10.554 2.505 1.789 791 H5'' DG 7 H5'' G 7 9.189 3.611 2.042 792 H4' DG 7 H4' G 7 9.417 3.484 -0.270 793 H3' DG 7 H3' G 7 7.014 2.805 0.612 794 H2' DG 7 H2' G 7 7.367 0.454 0.950 795 H2'' DG 7 H2'' G 7 6.686 0.460 -0.671 796 H1' DG 7 H1' G 7 8.808 0.215 -1.711 797 H8 DG 7 H8 G 7 9.182 -0.486 2.079 798 H1 DG 7 H1 G 7 10.966 -5.212 -1.873 799 H21 DG 7 H21 G 7 10.239 -2.950 -4.402 800 H22 DG 7 H22 G 7 10.779 -4.555 -3.978 801 H5' DT 8 H5' T 8 7.997 1.365 -3.588 802 H5'' DT 8 H5'' T 8 6.964 2.450 -4.542 803 H4' DT 8 H4' T 8 7.345 0.679 -5.980 804 H3' DT 8 H3' T 8 4.783 1.083 -5.436 805 H2' DT 8 H2' T 8 4.574 -0.326 -3.499 806 H2'' DT 8 H2'' T 8 4.043 -1.421 -4.767 807 H1' DT 8 H1' T 8 6.143 -2.521 -4.893 808 H3 DT 8 H3 T 8 7.281 -4.936 -1.393 809 H71 DT 8 H71 T 8 6.724 -0.935 1.300 810 H72 DT 8 H72 T 8 5.287 -0.277 0.481 811 H73 DT 8 H73 T 8 5.167 -1.786 1.415 812 H6 DT 8 H6 T 8 5.655 -0.471 -1.829 813 H5' DG 9 H5' G 9 5.104 -3.644 -7.639 814 H5'' DG 9 H5'' G 9 4.261 -2.823 -8.967 815 H4' DG 9 H4' G 9 3.357 -4.938 -9.036 816 H3' DG 9 H3' G 9 1.561 -3.052 -8.519 817 H2' DG 9 H2' G 9 1.646 -3.036 -6.139 818 H2'' DG 9 H2'' G 9 0.322 -4.164 -6.398 819 H1' DG 9 H1' G 9 1.680 -6.070 -6.055 820 H8 DG 9 H8 G 9 2.491 -2.792 -4.403 821 H1 DG 9 H1 G 9 4.403 -7.967 -1.117 822 H21 DG 9 H21 G 9 3.895 -9.671 -4.081 823 H22 DG 9 H22 G 9 4.408 -9.749 -2.417 824 H5' DG 10 H5' G 10 0.649 -7.340 -8.218 825 H5'' DG 10 H5'' G 10 -0.419 -7.531 -9.621 826 H4' DG 10 H4' G 10 -0.653 -9.537 -8.516 827 H3' DG 10 H3' G 10 -2.935 -8.201 -8.734 828 H2' DG 10 H2' G 10 -2.864 -6.934 -6.690 829 H2'' DG 10 H2'' G 10 -3.787 -8.339 -6.165 830 H1' DG 10 H1' G 10 -1.939 -9.384 -5.174 831 H8 DG 10 H8 G 10 -1.576 -5.555 -5.569 832 H1 DG 10 H1 G 10 0.290 -8.136 0.011 833 H21 DG 10 H21 G 10 0.049 -11.138 -1.680 834 H22 DG 10 H22 G 10 0.452 -10.328 -0.184 835 H5' DG 11 H5' G 11 -2.695 -11.501 -5.520 836 H5'' DG 11 H5'' G 11 -3.163 -12.530 -6.887 837 H4' DG 11 H4' G 11 -3.397 -13.963 -5.113 838 H3' DG 11 H3' G 11 -5.688 -13.489 -6.354 839 H2' DG 11 H2' G 11 -6.445 -11.603 -5.100 840 H2'' DG 11 H2'' G 11 -7.243 -12.900 -4.222 841 H1' DG 11 H1' G 11 -5.633 -12.919 -2.482 842 H8 DG 11 H8 G 11 -5.803 -9.679 -4.543 843 H1 DG 11 H1 G 11 -4.896 -8.933 1.778 844 H21 DG 11 H21 G 11 -4.420 -12.367 1.782 845 H22 DG 11 H22 G 11 -4.436 -10.889 2.716 846 H5' DC 12 H5' C 12 -5.926 -15.990 -2.367 847 H5'' DC 12 H5'' C 12 -6.428 -17.510 -3.131 848 H4' DC 12 H4' C 12 -7.063 -17.744 -0.907 849 H3' DC 12 H3' C 12 -9.043 -17.990 -2.653 850 H2' DC 12 H2' C 12 -9.760 -15.719 -2.782 851 H2'' DC 12 H2'' C 12 -10.845 -16.320 -1.537 852 H1' DC 12 H1' C 12 -9.569 -15.385 0.232 853 H41 DC 12 H41 C 12 -9.273 -9.527 -2.814 854 H42 DC 12 H42 C 12 -9.195 -9.232 -1.090 855 H5 DC 12 H5 C 12 -9.177 -11.789 -3.739 856 H6 DC 12 H6 C 12 -9.037 -14.156 -3.193 857 H5' DA 13 H5' A 13 -10.224 -18.036 1.918 858 H5'' DA 13 H5'' A 13 -10.952 -19.652 1.978 859 H4' DA 13 H4' A 13 -11.816 -18.525 3.824 860 H3' DA 13 H3' A 13 -13.648 -19.511 2.188 861 H2' DA 13 H2' A 13 -13.923 -17.653 0.714 862 H2'' DA 13 H2'' A 13 -15.205 -17.329 1.872 863 H1' DA 13 H1' A 13 -13.942 -15.686 3.024 864 H8 DA 13 H8 A 13 -12.787 -16.481 -0.554 865 H61 DA 13 H61 A 13 -12.005 -11.897 -1.974 866 H62 DA 13 H62 A 13 -11.997 -10.359 -1.133 867 H2 DA 13 H2 A 13 -12.991 -11.251 3.154 868 H5' DG 14 H5' G 14 -15.031 -16.853 5.825 869 H5'' DG 14 H5'' G 14 -16.067 -18.022 6.667 870 H4' DG 14 H4' G 14 -16.744 -15.926 7.442 871 H3' DG 14 H3' G 14 -18.674 -17.411 6.403 872 H2' DG 14 H2' G 14 -18.520 -16.721 4.119 873 H2'' DG 14 H2'' G 14 -19.761 -15.627 4.704 874 H1' DG 14 H1' G 14 -18.255 -13.803 4.913 875 H8 DG 14 H8 G 14 -17.038 -16.688 2.683 876 H1 DG 14 H1 G 14 -15.980 -10.787 0.406 877 H21 DG 14 H21 G 14 -17.099 -9.732 3.516 878 H22 DG 14 H22 G 14 -16.493 -9.270 1.940 879 H5' DC 15 H5' C 15 -20.128 -12.957 7.862 880 H5'' DC 15 H5'' C 15 -21.647 -13.396 8.664 881 H4' DC 15 H4' C 15 -21.830 -11.154 7.874 882 H3' DC 15 H3' C 15 -23.774 -12.883 7.333 883 H2' DC 15 H2' C 15 -23.042 -13.736 5.270 884 H2'' DC 15 H2'' C 15 -24.047 -12.417 4.686 885 H1' DC 15 H1' C 15 -22.214 -10.998 4.268 886 H41 DC 15 H41 C 15 -19.356 -15.912 0.977 887 H42 DC 15 H42 C 15 -18.931 -14.429 0.157 888 H5 DC 15 H5 C 15 -20.530 -15.952 3.100 889 H6 DC 15 H6 C 15 -21.589 -14.572 4.814 890 H5' DG 16 H5' G 16 -26.337 -8.358 6.964 891 H5'' DG 16 H5'' G 16 -27.799 -8.986 6.193 892 H4' DG 16 H4' G 16 -27.187 -6.629 5.616 893 H3' DG 16 H3' G 16 -28.385 -8.349 3.982 894 H2' DG 16 H2' G 16 -26.693 -9.317 2.853 895 H2'' DG 16 H2'' G 16 -26.944 -7.958 1.766 896 H1' DG 16 H1' G 16 -25.034 -6.831 2.548 897 H8 DG 16 H8 G 16 -24.329 -9.710 4.941 898 H1 DG 16 H1 G 16 -22.434 -10.860 -1.063 899 H21 DG 16 H21 G 16 -23.741 -7.742 -1.791 900 H22 DG 16 H22 G 16 -22.931 -9.174 -2.377 901 H5' DC 17 H5' C 17 -23.256 -13.843 -8.114 902 H5'' DC 17 H5'' C 17 -21.769 -14.222 -8.999 903 H4' DC 17 H4' C 17 -22.109 -11.821 -8.757 904 H3' DC 17 H3' C 17 -19.689 -12.879 -8.539 905 H2' DC 17 H2' C 17 -19.698 -13.420 -6.198 906 H2'' DC 17 H2'' C 17 -18.934 -11.835 -6.172 907 H1' DC 17 H1' C 17 -20.917 -10.728 -5.511 908 H41 DC 17 H41 C 17 -21.883 -15.179 -0.752 909 H42 DC 17 H42 C 17 -22.392 -13.633 -0.122 910 H5 DC 17 H5 C 17 -21.246 -15.510 -3.068 911 H6 DC 17 H6 C 17 -20.877 -14.399 -5.209 912 H5' DG 18 H5' G 18 -20.206 -8.571 -7.055 913 H5'' DG 18 H5'' G 18 -19.191 -7.638 -8.176 914 H4' DG 18 H4' G 18 -19.415 -6.268 -6.310 915 H3' DG 18 H3' G 18 -16.909 -6.814 -6.967 916 H2' DG 18 H2' G 18 -16.576 -8.803 -5.679 917 H2'' DG 18 H2'' G 18 -15.961 -7.590 -4.563 918 H1' DG 18 H1' G 18 -17.938 -7.571 -3.262 919 H8 DG 18 H8 G 18 -17.417 -10.643 -5.490 920 H1 DG 18 H1 G 18 -19.705 -11.863 0.374 921 H21 DG 18 H21 G 18 -20.001 -8.414 0.643 922 H22 DG 18 H22 G 18 -20.230 -9.970 1.408 923 H5' DC 19 H5' C 19 -17.777 -4.687 -3.039 924 H5'' DC 19 H5'' C 19 -16.973 -3.112 -3.206 925 H4' DC 19 H4' C 19 -17.303 -3.396 -0.910 926 H3' DC 19 H3' C 19 -14.798 -2.929 -1.631 927 H2' DC 19 H2' C 19 -14.058 -5.177 -1.984 928 H2'' DC 19 H2'' C 19 -13.563 -4.934 -0.315 929 H1' DC 19 H1' C 19 -15.416 -6.127 0.559 930 H41 DC 19 H41 C 19 -14.696 -11.110 -3.759 931 H42 DC 19 H42 C 19 -15.193 -11.788 -2.228 932 H5 DC 19 H5 C 19 -14.518 -8.684 -4.110 933 H6 DC 19 H6 C 19 -14.750 -6.501 -3.050 934 H5' DT 20 H5' T 20 -15.404 -3.834 3.089 935 H5'' DT 20 H5'' T 20 -14.574 -2.410 3.743 936 H4' DT 20 H4' T 20 -14.545 -4.164 5.370 937 H3' DT 20 H3' T 20 -12.308 -2.826 4.919 938 H2' DT 20 H2' T 20 -11.417 -4.142 3.114 939 H2'' DT 20 H2'' T 20 -10.618 -4.889 4.492 940 H1' DT 20 H1' T 20 -12.108 -6.722 4.554 941 H3 DT 20 H3 T 20 -12.356 -9.379 0.964 942 H71 DT 20 H71 T 20 -12.348 -5.426 -1.779 943 H72 DT 20 H72 T 20 -11.464 -4.316 -0.704 944 H73 DT 20 H73 T 20 -10.615 -5.683 -1.465 945 H6 DT 20 H6 T 20 -11.989 -4.658 1.533 946 H5' DG 21 H5' G 21 -11.369 -6.967 7.703 947 H5'' DG 21 H5'' G 21 -10.866 -5.908 9.034 948 H4' DG 21 H4' G 21 -9.594 -7.832 9.321 949 H3' DG 21 H3' G 21 -8.164 -5.624 9.034 950 H2' DG 21 H2' G 21 -7.911 -5.611 6.653 951 H2'' DG 21 H2'' G 21 -6.435 -6.441 7.126 952 H1' DG 21 H1' G 21 -7.301 -8.583 6.601 953 H8 DG 21 H8 G 21 -8.736 -5.509 4.953 954 H1 DG 21 H1 G 21 -8.931 -10.785 1.311 955 H21 DG 21 H21 G 21 -8.161 -12.465 4.246 956 H22 DG 21 H22 G 21 -8.505 -12.576 2.536 957 H5' DC 22 H5' C 22 -6.059 -9.545 8.772 958 H5'' DC 22 H5'' C 22 -5.041 -9.587 10.223 959 H4' DC 22 H4' C 22 -4.123 -11.209 8.847 960 H3' DC 22 H3' C 22 -2.431 -9.283 9.527 961 H2' DC 22 H2' C 22 -2.796 -7.763 7.729 962 H2'' DC 22 H2'' C 22 -1.433 -8.674 7.096 963 H1' DC 22 H1' C 22 -2.791 -10.022 5.702 964 H41 DC 22 H41 C 22 -5.677 -4.633 3.165 965 H42 DC 22 H42 C 22 -5.623 -5.898 1.957 966 H5 DC 22 H5 C 22 -5.109 -5.169 5.568 967 H6 DC 22 H6 C 22 -4.165 -6.886 7.026 968 H5' DC 23 H5' C 23 -1.100 -12.303 6.109 969 H5'' DC 23 H5'' C 23 -0.202 -13.101 7.412 970 H4' DC 23 H4' C 23 0.699 -14.077 5.550 971 H3' DC 23 H3' C 23 2.513 -12.709 6.907 972 H2' DC 23 H2' C 23 2.297 -10.577 5.844 973 H2'' DC 23 H2'' C 23 3.602 -11.275 4.897 974 H1' DC 23 H1' C 23 2.184 -11.877 3.106 975 H41 DC 23 H41 C 23 -0.441 -5.844 2.861 976 H42 DC 23 H42 C 23 -0.288 -6.422 1.230 977 H5 DC 23 H5 C 23 0.022 -7.256 4.804 978 H6 DC 23 H6 C 23 0.719 -9.464 5.535 979 H5' DC 24 H5' C 24 3.543 -14.304 2.722 980 H5'' DC 24 H5'' C 24 4.652 -15.561 3.299 981 H4' DC 24 H4' C 24 5.118 -15.440 1.041 982 H3' DC 24 H3' C 24 7.206 -14.916 2.584 983 H2' DC 24 H2' C 24 6.944 -12.548 2.811 984 H2'' DC 24 H2'' C 24 8.059 -12.621 1.456 985 H1' DC 24 H1' C 24 6.341 -12.274 -0.152 986 H41 DC 24 H41 C 24 4.215 -6.978 3.115 987 H42 DC 24 H42 C 24 3.983 -6.699 1.398 988 H5 DC 24 H5 C 24 4.928 -9.158 3.983 989 H6 DC 24 H6 C 24 5.601 -11.415 3.362 990 H5' DA 25 H5' A 25 7.632 -14.159 -2.024 991 H5'' DA 25 H5'' A 25 8.852 -15.416 -2.293 992 H4' DA 25 H4' A 25 9.007 -14.073 -4.173 993 H3' DA 25 H3' A 25 11.281 -14.263 -2.826 994 H2' DA 25 H2' A 25 11.019 -12.408 -1.328 995 H2'' DA 25 H2'' A 25 11.929 -11.661 -2.632 996 H1' DA 25 H1' A 25 10.015 -10.655 -3.588 997 H8 DA 25 H8 A 25 9.522 -11.714 0.104 998 H61 DA 25 H61 A 25 7.760 -7.448 1.638 999 H62 DA 25 H62 A 25 7.305 -5.965 0.826 1000 H2 DA 25 H2 A 25 8.018 -6.666 -3.558 1001 H5' DC 26 H5' C 26 10.709 -11.274 -6.118 1002 H5'' DC 26 H5'' C 26 11.812 -11.915 -7.349 1003 H4' DC 26 H4' C 26 11.307 -9.794 -8.118 1004 H3' DC 26 H3' C 26 13.892 -10.202 -7.711 1005 H2' DC 26 H2' C 26 14.062 -9.498 -5.432 1006 H2'' DC 26 H2'' C 26 14.492 -8.010 -6.262 1007 H1' DC 26 H1' C 26 12.328 -7.065 -5.990 1008 H41 DC 26 H41 C 26 12.021 -8.621 0.429 1009 H42 DC 26 H42 C 26 11.369 -7.010 0.227 1010 H5 DC 26 H5 C 26 12.739 -9.984 -1.454 1011 H6 DC 26 H6 C 26 12.955 -10.061 -3.889 1012 H5' DA 27 H5' A 27 12.591 -5.787 -9.284 1013 H5'' DA 27 H5'' A 27 13.799 -5.603 -10.571 1014 H4' DA 27 H4' A 27 13.084 -3.437 -9.830 1015 H3' DA 27 H3' A 27 15.666 -3.907 -10.188 1016 H2' DA 27 H2' A 27 16.228 -4.737 -8.015 1017 H2'' DA 27 H2'' A 27 16.628 -3.037 -7.825 1018 H1' DA 27 H1' A 27 14.613 -2.546 -6.664 1019 H8 DA 27 H8 A 27 15.392 -6.334 -6.785 1020 H61 DA 27 H61 A 27 14.765 -7.225 -2.056 1021 H62 DA 27 H62 A 27 14.246 -6.247 -0.705 1022 H2 DA 27 H2 A 27 13.409 -2.143 -2.348 1023 H5' DC 28 H5' C 28 14.472 0.056 -8.133 1024 H5'' DC 28 H5'' C 28 15.133 1.290 -9.221 1025 H4' DC 28 H4' C 28 14.895 2.378 -7.180 1026 H3' DC 28 H3' C 28 17.352 2.431 -8.159 1027 H2' DC 28 H2' C 28 18.210 0.412 -7.185 1028 H2'' DC 28 H2'' C 28 18.738 1.602 -6.006 1029 H1' DC 28 H1' C 28 16.967 1.103 -4.501 1030 H41 DC 28 H41 C 28 18.007 -5.406 -5.009 1031 H42 DC 28 H42 C 28 17.570 -5.078 -3.352 1032 H5 DC 28 H5 C 28 18.009 -3.691 -6.743 1033 H6 DC 28 H6 C 28 17.605 -1.328 -7.201 1034 H5' DA 29 H5' A 29 16.691 3.891 -3.818 1035 H5'' DA 29 H5'' A 29 17.189 5.590 -3.940 1036 H4' DA 29 H4' A 29 17.336 5.104 -1.670 1037 H3' DA 29 H3' A 29 19.596 5.963 -2.752 1038 H2' DA 29 H2' A 29 20.527 3.870 -3.437 1039 H2'' DA 29 H2'' A 29 21.292 4.075 -1.872 1040 H1' DA 29 H1' A 29 19.783 2.584 -0.789 1041 H8 DA 29 H8 A 29 19.803 2.189 -4.643 1042 H61 DA 29 H61 A 29 20.318 -2.640 -4.714 1043 H62 DA 29 H62 A 29 20.345 -3.868 -3.467 1044 H2 DA 29 H2 A 29 19.820 -1.717 0.449 1045 H5' DA 30 H5' A 30 19.651 4.334 1.531 1046 H5'' DA 30 H5'' A 30 20.155 5.766 2.447 1047 H4' DA 30 H4' A 30 20.589 3.998 3.882 1048 H3' DA 30 H3' A 30 22.719 5.464 3.309 1049 H2' DA 30 H2' A 30 23.505 4.296 1.373 1050 H2'' DA 30 H2'' A 30 24.459 3.521 2.630 1051 H1' DA 30 H1' A 30 23.046 1.613 2.723 1052 H8 DA 30 H8 A 30 22.412 3.648 -0.524 1053 H61 DA 30 H61 A 30 22.973 -0.062 -3.606 1054 H62 DA 30 H62 A 30 23.271 -1.773 -3.402 1055 H2 DA 30 H2 A 30 23.480 -2.484 1.040 1056 H5' DG 31 H5' G 31 23.262 1.512 5.492 1057 H5'' DG 31 H5'' G 31 23.804 2.081 7.082 1058 H4' DG 31 H4' G 31 24.387 -0.168 7.047 1059 H3' DG 31 H3' G 31 26.419 1.472 7.483 1060 H2' DG 31 H2' G 31 27.103 1.867 5.215 1061 H2'' DG 31 H2'' G 31 28.170 0.541 5.661 1062 H1' DG 31 H1' G 31 26.839 -1.090 4.564 1063 H8 DG 31 H8 G 31 26.059 2.513 3.381 1064 H1 DG 31 H1 G 31 26.778 -1.926 -1.199 1065 H21 DG 31 H21 G 31 27.080 -4.133 1.458 1066 H22 DG 31 H22 G 31 27.076 -3.922 -0.279 1067 H5' DC 32 H5' C 32 27.519 -2.927 6.505 1068 H5'' DC 32 H5'' C 32 28.206 -3.432 8.061 1069 H4' DC 32 H4' C 32 29.104 -4.933 6.536 1070 H3' DC 32 H3' C 32 30.906 -3.549 7.895 1071 HO3' DC 32 H3T C 32 32.520 -4.778 6.597 1072 H2' DC 32 H2' C 32 31.145 -1.666 6.434 1073 H2'' DC 32 H2'' C 32 32.458 -2.684 5.863 1074 H1' DC 32 H1' C 32 31.225 -3.485 4.003 1075 H41 DC 32 H41 C 32 29.355 2.597 2.185 1076 H42 DC 32 H42 C 32 29.468 1.616 0.747 1077 H5 DC 32 H5 C 32 29.670 1.645 4.428 1078 H6 DC 32 H6 C 32 30.126 -0.407 5.676 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 -5.995 -1.674 -1.094 2 H2 MET 1 HT2 MET 1 -6.800 -1.252 -2.526 3 H3 MET 1 HT3 MET 1 -5.234 -0.682 -2.233 4 HA MET 1 HA MET 1 -4.236 -2.667 -2.653 5 HB2 MET 1 HB2 MET 1 -5.814 -4.764 -2.906 6 HB3 MET 1 HB1 MET 1 -5.256 -4.251 -1.322 7 HG2 MET 1 HG2 MET 1 -7.357 -4.181 -0.673 8 HG3 MET 1 HG1 MET 1 -7.617 -2.833 -1.780 9 HE1 MET 1 HE1 MET 1 -8.409 -6.483 -0.914 10 HE2 MET 1 HE2 MET 1 -7.077 -6.731 -2.041 11 HE3 MET 1 HE3 MET 1 -8.707 -7.234 -2.484 12 H VAL 2 HN VAL 2 -5.421 -4.596 -4.491 13 HA VAL 2 HA VAL 2 -5.259 -3.030 -6.850 14 HB VAL 2 HB VAL 2 -6.188 -5.317 -7.859 15 HG11 VAL 2 HG11 VAL 2 -3.412 -5.026 -6.724 16 HG12 VAL 2 HG12 VAL 2 -3.975 -4.311 -8.233 17 HG13 VAL 2 HG13 VAL 2 -3.896 -6.065 -8.062 18 HG21 VAL 2 HG21 VAL 2 -4.963 -6.228 -5.254 19 HG22 VAL 2 HG22 VAL 2 -5.644 -7.234 -6.531 20 HG23 VAL 2 HG23 VAL 2 -6.700 -6.203 -5.570 21 H GLN 3 HN GLN 3 -7.986 -4.773 -5.340 22 HA GLN 3 HA GLN 3 -9.900 -4.235 -7.275 23 HB2 GLN 3 HB2 GLN 3 -10.226 -4.552 -4.288 24 HB3 GLN 3 HB1 GLN 3 -11.568 -4.535 -5.424 25 HG2 GLN 3 HG2 GLN 3 -10.912 -6.564 -6.399 26 HG3 GLN 3 HG1 GLN 3 -9.301 -6.478 -5.692 27 HE21 GLN 3 HE21 GLN 3 -12.320 -5.860 -4.001 28 HE22 GLN 3 HE22 GLN 3 -12.197 -7.205 -2.921 29 H SER 4 HN SER 4 -8.791 -2.195 -4.621 30 HA SER 4 HA SER 4 -9.554 0.192 -5.883 31 HB2 SER 4 HB2 SER 4 -11.652 0.646 -5.090 32 HB3 SER 4 HB1 SER 4 -11.707 -1.073 -4.818 33 HG SER 4 HG SER 4 -10.639 0.598 -2.829 34 H CYS 5 HN CYS 5 -9.035 2.073 -4.568 35 HA CYS 5 HA CYS 5 -6.865 1.584 -2.774 36 HB2 CYS 5 HB2 CYS 5 -8.134 4.276 -3.149 37 HB3 CYS 5 HB1 CYS 5 -6.432 3.870 -2.952 38 H SER 6 HN SER 6 -6.950 3.349 -0.791 39 HA SER 6 HA SER 6 -8.901 2.249 1.016 40 HB2 SER 6 HB2 SER 6 -7.655 3.945 2.581 41 HB3 SER 6 HB1 SER 6 -6.811 2.504 2.010 42 HG SER 6 HG SER 6 -5.696 4.605 1.799 43 H ALA 7 HN ALA 7 -9.237 4.564 -1.213 44 HA ALA 7 HA ALA 7 -10.491 6.618 0.381 45 HB1 ALA 7 HB1 ALA 7 -9.256 7.207 -1.644 46 HB2 ALA 7 HB2 ALA 7 -10.940 7.724 -1.736 47 HB3 ALA 7 HB3 ALA 7 -10.411 6.290 -2.614 48 H TYR 8 HN TYR 8 -12.681 7.402 -0.791 49 HA TYR 8 HA TYR 8 -14.519 5.148 -0.428 50 HB2 TYR 8 HB2 TYR 8 -14.866 6.873 1.186 51 HB3 TYR 8 HB1 TYR 8 -14.806 8.128 -0.041 52 HD1 TYR 8 HD1 TYR 8 -16.758 5.040 -0.538 53 HD2 TYR 8 HD2 TYR 8 -16.869 9.124 0.659 54 HE1 TYR 8 HE1 TYR 8 -19.207 5.010 -0.684 55 HE2 TYR 8 HE2 TYR 8 -19.323 9.102 0.504 56 HH TYR 8 HH TYR 8 -21.075 7.621 -0.872 57 H GLY 9 HN GLY 9 -14.433 4.361 -2.561 58 HA2 GLY 9 HA2 GLY 9 -15.969 4.287 -4.427 59 HA3 GLY 9 HA1 GLY 9 -15.936 6.040 -4.456 60 H CYS 10 HN CYS 10 -12.810 5.174 -3.973 61 HA CYS 10 HA CYS 10 -12.179 5.673 -6.732 62 HB2 CYS 10 HB2 CYS 10 -10.867 6.748 -4.945 63 HB3 CYS 10 HB1 CYS 10 -10.279 5.166 -4.436 64 H LYS 11 HN LYS 11 -13.211 3.639 -7.450 65 HA LYS 11 HA LYS 11 -11.696 1.208 -6.991 66 HB2 LYS 11 HB2 LYS 11 -14.004 1.770 -8.869 67 HB3 LYS 11 HB1 LYS 11 -13.321 0.185 -8.540 68 HG2 LYS 11 HG2 LYS 11 -13.963 0.488 -6.146 69 HG3 LYS 11 HG1 LYS 11 -14.812 1.960 -6.620 70 HD2 LYS 11 HD2 LYS 11 -16.400 0.172 -6.528 71 HD3 LYS 11 HD1 LYS 11 -16.144 0.588 -8.223 72 HE2 LYS 11 HE2 LYS 11 -14.613 -1.300 -8.457 73 HE3 LYS 11 HE1 LYS 11 -14.836 -1.704 -6.758 74 HZ1 LYS 11 HZ1 LYS 11 -17.310 -1.511 -8.189 75 HZ2 LYS 11 HZ2 LYS 11 -16.733 -2.751 -7.194 76 HZ3 LYS 11 HZ3 LYS 11 -16.286 -2.697 -8.828 77 H ASN 12 HN ASN 12 -10.083 3.142 -7.961 78 HA ASN 12 HA ASN 12 -9.829 2.951 -10.835 79 HB2 ASN 12 HB2 ASN 12 -8.281 4.394 -8.736 80 HB3 ASN 12 HB1 ASN 12 -7.818 4.418 -10.429 81 HD21 ASN 12 HD21 ASN 12 -8.375 6.783 -9.178 82 HD22 ASN 12 HD22 ASN 12 -9.864 7.419 -9.780 83 H ARG 13 HN ARG 13 -9.584 0.549 -9.858 84 HA ARG 13 HA ARG 13 -7.413 -0.795 -9.100 85 HB2 ARG 13 HB2 ARG 13 -9.592 -1.546 -10.399 86 HB3 ARG 13 HB1 ARG 13 -8.531 -1.542 -11.789 87 HG2 ARG 13 HG2 ARG 13 -8.333 -3.267 -9.330 88 HG3 ARG 13 HG1 ARG 13 -8.697 -3.769 -10.976 89 HD2 ARG 13 HD2 ARG 13 -6.307 -2.653 -11.409 90 HD3 ARG 13 HD1 ARG 13 -6.099 -3.104 -9.721 91 HE ARG 13 HE ARG 13 -6.887 -5.408 -10.573 92 HH11 ARG 13 HH11 ARG 13 -4.945 -3.160 -12.446 93 HH12 ARG 13 HH12 ARG 13 -4.100 -4.410 -13.301 94 HH21 ARG 13 HH21 ARG 13 -5.761 -7.055 -11.709 95 HH22 ARG 13 HH22 ARG 13 -4.567 -6.612 -12.892 96 H TYR 14 HN TYR 14 -5.275 -1.013 -9.714 97 HA TYR 14 HA TYR 14 -3.774 0.679 -11.106 98 HB2 TYR 14 HB2 TYR 14 -3.272 -1.775 -10.046 99 HB3 TYR 14 HB1 TYR 14 -3.028 -2.097 -11.757 100 HD1 TYR 14 HD1 TYR 14 -1.687 0.251 -12.807 101 HD2 TYR 14 HD2 TYR 14 -1.232 -1.606 -8.997 102 HE1 TYR 14 HE1 TYR 14 0.576 1.186 -12.621 103 HE2 TYR 14 HE2 TYR 14 1.037 -0.677 -8.816 104 HH TYR 14 HH TYR 14 2.750 0.283 -10.020 105 H ASP 15 HN ASP 15 -4.135 1.588 -12.951 106 HA ASP 15 HA ASP 15 -4.682 -0.049 -15.327 107 HB2 ASP 15 HB2 ASP 15 -6.753 1.020 -14.885 108 HB3 ASP 15 HB1 ASP 15 -5.971 2.522 -14.425 109 H LYS 16 HN LYS 16 -2.964 0.026 -16.489 110 HA LYS 16 HA LYS 16 -0.837 1.785 -16.225 111 HB2 LYS 16 HB2 LYS 16 0.162 0.343 -17.610 112 HB3 LYS 16 HB1 LYS 16 -1.350 -0.554 -17.582 113 HG2 LYS 16 HG2 LYS 16 -1.958 1.179 -19.515 114 HG3 LYS 16 HG1 LYS 16 -0.207 1.160 -19.711 115 HD2 LYS 16 HD2 LYS 16 -0.196 -1.193 -20.083 116 HD3 LYS 16 HD1 LYS 16 -1.893 -1.328 -19.616 117 HE2 LYS 16 HE2 LYS 16 -1.144 0.447 -21.894 118 HE3 LYS 16 HE1 LYS 16 -1.188 -1.297 -22.146 119 HZ1 LYS 16 HZ1 LYS 16 -3.410 0.504 -21.384 120 HZ2 LYS 16 HZ2 LYS 16 -3.500 -1.171 -21.140 121 HZ3 LYS 16 HZ3 LYS 16 -3.309 -0.555 -22.702 122 H ASP 17 HN ASP 17 -3.733 2.113 -18.114 123 HA ASP 17 HA ASP 17 -2.698 4.086 -19.912 124 HB2 ASP 17 HB2 ASP 17 -5.368 2.956 -19.271 125 HB3 ASP 17 HB1 ASP 17 -5.330 4.537 -20.044 126 H LYS 18 HN LYS 18 -4.140 4.071 -16.769 127 HA LYS 18 HA LYS 18 -4.488 6.966 -16.793 128 HB2 LYS 18 HB2 LYS 18 -6.018 6.693 -15.171 129 HB3 LYS 18 HB1 LYS 18 -5.981 5.001 -15.638 130 HG2 LYS 18 HG2 LYS 18 -4.231 4.667 -13.860 131 HG3 LYS 18 HG1 LYS 18 -4.592 6.305 -13.316 132 HD2 LYS 18 HD2 LYS 18 -6.199 3.823 -13.078 133 HD3 LYS 18 HD1 LYS 18 -6.009 5.154 -11.948 134 HE2 LYS 18 HE2 LYS 18 -8.143 5.585 -12.555 135 HE3 LYS 18 HE1 LYS 18 -7.354 6.428 -13.882 136 HZ1 LYS 18 HZ1 LYS 18 -8.639 3.766 -13.911 137 HZ2 LYS 18 HZ2 LYS 18 -7.546 4.219 -15.118 138 HZ3 LYS 18 HZ3 LYS 18 -8.971 5.105 -14.887 139 HA PRO 19 HA PRO 19 -0.523 7.532 -14.980 140 HB2 PRO 19 HB2 PRO 19 -0.696 10.143 -14.326 141 HB3 PRO 19 HB1 PRO 19 -0.606 9.591 -16.006 142 HG2 PRO 19 HG2 PRO 19 -2.955 10.523 -14.452 143 HG3 PRO 19 HG1 PRO 19 -2.553 10.780 -16.160 144 HD2 PRO 19 HD2 PRO 19 -4.352 8.897 -15.235 145 HD3 PRO 19 HD1 PRO 19 -3.537 8.844 -16.810 146 H VAL 20 HN VAL 20 -1.263 6.070 -13.154 147 HA VAL 20 HA VAL 20 -0.864 7.541 -10.682 148 HB VAL 20 HB VAL 20 -2.589 6.594 -9.407 149 HG11 VAL 20 HG11 VAL 20 -3.616 8.357 -10.453 150 HG12 VAL 20 HG12 VAL 20 -4.730 7.029 -10.781 151 HG13 VAL 20 HG13 VAL 20 -3.611 7.570 -12.031 152 HG21 VAL 20 HG21 VAL 20 -3.240 4.753 -11.698 153 HG22 VAL 20 HG22 VAL 20 -4.168 4.887 -10.202 154 HG23 VAL 20 HG23 VAL 20 -2.500 4.318 -10.157 155 H SER 21 HN SER 21 0.118 6.328 -9.078 156 HA SER 21 HA SER 21 1.054 3.660 -9.900 157 HB2 SER 21 HB2 SER 21 3.012 4.478 -8.210 158 HB3 SER 21 HB1 SER 21 3.081 4.731 -9.954 159 HG SER 21 HG SER 21 2.896 6.799 -9.641 160 H PHE 22 HN PHE 22 1.579 2.256 -7.959 161 HA PHE 22 HA PHE 22 -0.301 2.935 -5.815 162 HB2 PHE 22 HB2 PHE 22 0.281 0.438 -7.260 163 HB3 PHE 22 HB1 PHE 22 0.099 0.246 -5.522 164 HD1 PHE 22 HD1 PHE 22 -1.587 1.263 -8.631 165 HD2 PHE 22 HD2 PHE 22 -2.026 0.531 -4.465 166 HE1 PHE 22 HE1 PHE 22 -4.045 1.270 -8.894 167 HE2 PHE 22 HE2 PHE 22 -4.471 0.541 -4.714 168 HZ PHE 22 HZ PHE 22 -5.483 0.910 -6.928 169 H HIS 23 HN HIS 23 0.222 2.050 -3.694 170 HA HIS 23 HA HIS 23 3.009 1.591 -2.971 171 HB2 HIS 23 HB2 HIS 23 1.919 3.674 -1.266 172 HB3 HIS 23 HB1 HIS 23 3.487 3.593 -2.042 173 HD1 HIS 23 HD1 HIS 23 -0.047 4.359 -3.095 174 HD2 HIS 23 HD2 HIS 23 3.831 5.664 -3.747 175 HE1 HIS 23 HE1 HIS 23 -0.283 6.326 -4.586 176 HE2 HIS 23 HE2 HIS 23 2.075 7.219 -4.840 177 H LYS 24 HN LYS 24 3.032 1.529 -0.415 178 HA LYS 24 HA LYS 24 0.492 0.264 0.389 179 HB2 LYS 24 HB2 LYS 24 3.274 -0.525 0.715 180 HB3 LYS 24 HB1 LYS 24 2.448 -0.445 2.265 181 HG2 LYS 24 HG2 LYS 24 0.913 -2.091 1.673 182 HG3 LYS 24 HG1 LYS 24 1.233 -1.901 -0.052 183 HD2 LYS 24 HD2 LYS 24 2.235 -3.952 0.736 184 HD3 LYS 24 HD1 LYS 24 3.497 -2.803 0.290 185 HE2 LYS 24 HE2 LYS 24 3.230 -2.200 2.896 186 HE3 LYS 24 HE1 LYS 24 2.770 -3.901 2.935 187 HZ1 LYS 24 HZ1 LYS 24 4.907 -4.192 1.524 188 HZ2 LYS 24 HZ2 LYS 24 5.030 -4.009 3.203 189 HZ3 LYS 24 HZ3 LYS 24 5.344 -2.698 2.193 190 H PHE 25 HN PHE 25 0.088 0.575 2.881 191 HA PHE 25 HA PHE 25 -0.029 3.316 3.506 192 HB2 PHE 25 HB2 PHE 25 -0.559 0.798 4.950 193 HB3 PHE 25 HB1 PHE 25 -0.056 2.122 5.977 194 HD1 PHE 25 HD2 PHE 25 -2.513 1.406 3.281 195 HD2 PHE 25 HD1 PHE 25 -1.657 3.552 6.834 196 HE1 PHE 25 HE2 PHE 25 -4.820 2.274 3.304 197 HE2 PHE 25 HE1 PHE 25 -3.966 4.403 6.884 198 HZ PHE 25 HZ PHE 25 -5.546 3.767 5.118 199 HA PRO 26 HA PRO 26 3.951 4.231 5.287 200 HB2 PRO 26 HB2 PRO 26 3.239 5.938 7.275 201 HB3 PRO 26 HB1 PRO 26 3.151 6.403 5.566 202 HG2 PRO 26 HG2 PRO 26 0.977 5.408 7.351 203 HG3 PRO 26 HG1 PRO 26 0.974 6.810 6.259 204 HD2 PRO 26 HD2 PRO 26 -0.141 4.521 5.516 205 HD3 PRO 26 HD1 PRO 26 0.781 5.505 4.369 206 H LEU 27 HN LEU 27 3.872 1.892 6.044 207 HA LEU 27 HA LEU 27 2.956 1.263 8.645 208 HB2 LEU 27 HB2 LEU 27 4.726 -0.067 6.636 209 HB3 LEU 27 HB1 LEU 27 4.570 -0.738 8.252 210 HG LEU 27 HG LEU 27 2.327 -0.304 6.258 211 HD11 LEU 27 HD11 LEU 27 3.485 -2.844 7.412 212 HD12 LEU 27 HD12 LEU 27 3.794 -2.229 5.790 213 HD13 LEU 27 HD13 LEU 27 2.163 -2.720 6.249 214 HD21 LEU 27 HD21 LEU 27 2.350 -0.932 9.166 215 HD22 LEU 27 HD22 LEU 27 1.144 -1.711 8.140 216 HD23 LEU 27 HD23 LEU 27 1.227 0.051 8.224 217 H THR 28 HN THR 28 5.796 2.669 7.405 218 HA THR 28 HA THR 28 7.256 2.292 9.877 219 HB THR 28 HB THR 28 9.144 3.239 8.671 220 HG1 THR 28 HG1 THR 28 8.240 3.512 6.204 221 HG21 THR 28 HG21 THR 28 9.213 1.622 6.754 222 HG22 THR 28 HG22 THR 28 7.506 1.270 7.064 223 HG23 THR 28 HG23 THR 28 8.727 0.894 8.288 224 H ARG 29 HN ARG 29 4.826 4.115 9.185 225 HA ARG 29 HA ARG 29 5.693 6.388 10.800 226 HB2 ARG 29 HB2 ARG 29 4.952 6.483 7.942 227 HB3 ARG 29 HB1 ARG 29 4.029 7.581 8.943 228 HG2 ARG 29 HG2 ARG 29 6.956 7.615 9.302 229 HG3 ARG 29 HG1 ARG 29 6.321 8.224 7.770 230 HD2 ARG 29 HD2 ARG 29 5.329 10.012 8.718 231 HD3 ARG 29 HD1 ARG 29 4.959 9.154 10.211 232 HE ARG 29 HE ARG 29 6.892 9.967 11.094 233 HH11 ARG 29 HH11 ARG 29 7.111 10.244 7.607 234 HH12 ARG 29 HH12 ARG 29 8.664 11.007 7.639 235 HH21 ARG 29 HH21 ARG 29 8.931 11.013 11.134 236 HH22 ARG 29 HH22 ARG 29 9.690 11.456 9.638 237 HA PRO 30 HA PRO 30 1.649 3.998 11.666 238 HB2 PRO 30 HB2 PRO 30 2.097 4.433 14.404 239 HB3 PRO 30 HB1 PRO 30 2.315 2.922 13.505 240 HG2 PRO 30 HG2 PRO 30 4.326 4.933 14.326 241 HG3 PRO 30 HG1 PRO 30 4.496 3.183 14.106 242 HD2 PRO 30 HD2 PRO 30 5.494 4.904 12.337 243 HD3 PRO 30 HD1 PRO 30 4.792 3.353 11.834 244 H SER 31 HN SER 31 2.686 6.734 13.825 245 HA SER 31 HA SER 31 0.110 7.598 14.427 246 HB2 SER 31 HB2 SER 31 2.169 9.704 13.993 247 HB3 SER 31 HB1 SER 31 1.124 9.419 15.385 248 HG SER 31 HG SER 31 2.522 8.000 16.185 249 H LEU 32 HN LEU 32 2.219 8.545 11.765 250 HA LEU 32 HA LEU 32 0.384 10.311 10.539 251 HB2 LEU 32 HB2 LEU 32 2.746 10.451 10.072 252 HB3 LEU 32 HB1 LEU 32 2.792 8.795 9.528 253 HG LEU 32 HG LEU 32 2.922 10.726 7.812 254 HD11 LEU 32 HD11 LEU 32 1.930 9.369 6.122 255 HD12 LEU 32 HD12 LEU 32 1.013 8.471 7.334 256 HD13 LEU 32 HD13 LEU 32 2.774 8.347 7.289 257 HD21 LEU 32 HD21 LEU 32 -0.018 10.626 8.403 258 HD22 LEU 32 HD22 LEU 32 0.670 11.296 6.916 259 HD23 LEU 32 HD23 LEU 32 1.066 12.022 8.475 260 H CYS 33 HN CYS 33 0.940 6.865 10.420 261 HA CYS 33 HA CYS 33 -0.565 6.209 8.109 262 HB2 CYS 33 HB2 CYS 33 0.998 4.679 9.329 263 HB3 CYS 33 HB1 CYS 33 -0.142 4.646 10.681 264 HG CYS 33 HG CYS 33 0.057 2.517 8.347 265 H LYS 34 HN LYS 34 -1.241 6.783 11.420 266 HA LYS 34 HA LYS 34 -3.873 5.792 11.523 267 HB2 LYS 34 HB2 LYS 34 -2.808 5.845 13.533 268 HB3 LYS 34 HB1 LYS 34 -2.032 7.383 13.210 269 HG2 LYS 34 HG2 LYS 34 -4.647 8.116 13.335 270 HG3 LYS 34 HG1 LYS 34 -4.561 6.816 14.536 271 HD2 LYS 34 HD2 LYS 34 -2.371 8.029 15.275 272 HD3 LYS 34 HD1 LYS 34 -3.092 9.415 14.447 273 HE2 LYS 34 HE2 LYS 34 -3.711 9.526 16.768 274 HE3 LYS 34 HE1 LYS 34 -5.139 9.136 15.816 275 HZ1 LYS 34 HZ1 LYS 34 -5.111 7.751 17.732 276 HZ2 LYS 34 HZ2 LYS 34 -3.518 7.264 17.440 277 HZ3 LYS 34 HZ3 LYS 34 -4.754 6.776 16.397 278 H GLU 35 HN GLU 35 -2.566 8.956 10.530 279 HA GLU 35 HA GLU 35 -5.162 10.173 10.962 280 HB2 GLU 35 HB2 GLU 35 -4.108 11.941 9.289 281 HB3 GLU 35 HB1 GLU 35 -3.785 11.953 11.004 282 HG2 GLU 35 HG2 GLU 35 -1.774 10.441 10.365 283 HG3 GLU 35 HG1 GLU 35 -2.033 11.126 8.762 284 H TRP 36 HN TRP 36 -3.667 8.256 8.558 285 HA TRP 36 HA TRP 36 -5.175 9.159 6.349 286 HB2 TRP 36 HB2 TRP 36 -3.978 6.441 6.947 287 HB3 TRP 36 HB1 TRP 36 -4.737 6.861 5.412 288 HD1 TRP 36 HD1 TRP 36 -2.495 9.364 7.237 289 HE1 TRP 36 HE1 TRP 36 -0.402 9.802 5.822 290 HE3 TRP 36 HE3 TRP 36 -3.184 5.782 3.627 291 HZ2 TRP 36 HZ2 TRP 36 0.820 8.751 3.505 292 HZ3 TRP 36 HZ3 TRP 36 -1.506 5.584 1.841 293 HH2 TRP 36 HH2 TRP 36 0.462 7.032 1.792 294 H GLU 37 HN GLU 37 -5.837 7.152 9.106 295 HA GLU 37 HA GLU 37 -8.231 5.956 8.192 296 HB2 GLU 37 HB2 GLU 37 -7.686 6.760 11.053 297 HB3 GLU 37 HB1 GLU 37 -8.673 5.422 10.482 298 HG2 GLU 37 HG2 GLU 37 -5.773 5.422 9.828 299 HG3 GLU 37 HG1 GLU 37 -6.270 5.081 11.482 300 H ALA 38 HN ALA 38 -7.384 9.024 9.601 301 HA ALA 38 HA ALA 38 -9.931 9.970 10.274 302 HB1 ALA 38 HB1 ALA 38 -8.924 12.095 10.543 303 HB2 ALA 38 HB2 ALA 38 -7.584 11.658 9.481 304 HB3 ALA 38 HB3 ALA 38 -7.743 10.892 11.061 305 H ALA 39 HN ALA 39 -8.258 9.700 7.273 306 HA ALA 39 HA ALA 39 -10.019 11.586 5.936 307 HB1 ALA 39 HB1 ALA 39 -7.974 9.770 4.674 308 HB2 ALA 39 HB2 ALA 39 -7.586 11.346 5.360 309 HB3 ALA 39 HB3 ALA 39 -8.693 11.229 3.992 310 H VAL 40 HN VAL 40 -9.783 8.207 6.601 311 HA VAL 40 HA VAL 40 -11.665 7.450 4.491 312 HB VAL 40 HB VAL 40 -10.797 5.610 6.672 313 HG11 VAL 40 HG11 VAL 40 -11.331 5.211 3.737 314 HG12 VAL 40 HG12 VAL 40 -12.450 4.853 5.054 315 HG13 VAL 40 HG13 VAL 40 -10.949 3.940 4.898 316 HG21 VAL 40 HG21 VAL 40 -8.761 5.018 5.474 317 HG22 VAL 40 HG22 VAL 40 -8.728 6.729 5.907 318 HG23 VAL 40 HG23 VAL 40 -9.107 6.244 4.252 319 H ARG 41 HN ARG 41 -12.802 9.241 5.961 320 HA ARG 41 HA ARG 41 -14.135 8.515 8.320 321 HB2 ARG 41 HB2 ARG 41 -15.235 10.563 8.160 322 HB3 ARG 41 HB1 ARG 41 -13.718 10.835 7.319 323 HG2 ARG 41 HG2 ARG 41 -16.281 10.138 5.907 324 HG3 ARG 41 HG1 ARG 41 -15.780 11.795 6.237 325 HD2 ARG 41 HD2 ARG 41 -13.630 11.229 5.011 326 HD3 ARG 41 HD1 ARG 41 -14.436 9.754 4.482 327 HE ARG 41 HE ARG 41 -16.156 11.281 3.488 328 HH11 ARG 41 HH11 ARG 41 -12.862 12.373 4.004 329 HH12 ARG 41 HH12 ARG 41 -12.903 13.520 2.702 330 HH21 ARG 41 HH21 ARG 41 -16.216 12.804 1.776 331 HH22 ARG 41 HH22 ARG 41 -14.818 13.778 1.444 332 H ARG 42 HN ARG 42 -14.655 6.858 5.612 333 HA ARG 42 HA ARG 42 -17.557 7.023 5.669 334 HB2 ARG 42 HB2 ARG 42 -16.065 6.755 3.531 335 HB3 ARG 42 HB1 ARG 42 -16.108 5.057 3.957 336 HG2 ARG 42 HG2 ARG 42 -17.839 5.690 2.314 337 HG3 ARG 42 HG1 ARG 42 -18.503 5.008 3.797 338 HD2 ARG 42 HD2 ARG 42 -18.984 7.290 4.598 339 HD3 ARG 42 HD1 ARG 42 -18.363 7.941 3.086 340 HE ARG 42 HE ARG 42 -20.234 6.499 2.065 341 HH11 ARG 42 HH11 ARG 42 -20.443 8.093 5.176 342 HH12 ARG 42 HH12 ARG 42 -22.159 8.313 5.086 343 HH21 ARG 42 HH21 ARG 42 -22.500 6.785 1.951 344 HH22 ARG 42 HH22 ARG 42 -23.327 7.554 3.270 345 H LYS 43 HN LYS 43 -18.908 5.241 6.010 346 HA LYS 43 HA LYS 43 -18.314 3.642 8.203 347 HB2 LYS 43 HB2 LYS 43 -20.574 3.704 7.935 348 HB3 LYS 43 HB1 LYS 43 -20.467 3.784 6.183 349 HG2 LYS 43 HG2 LYS 43 -20.011 1.372 6.115 350 HG3 LYS 43 HG1 LYS 43 -20.169 1.305 7.871 351 HD2 LYS 43 HD2 LYS 43 -22.485 2.070 7.691 352 HD3 LYS 43 HD1 LYS 43 -22.324 2.143 5.937 353 HE2 LYS 43 HE2 LYS 43 -21.939 -0.244 5.837 354 HE3 LYS 43 HE1 LYS 43 -21.978 -0.350 7.595 355 HZ1 LYS 43 HZ1 LYS 43 -24.083 -1.031 6.797 356 HZ2 LYS 43 HZ2 LYS 43 -24.218 0.313 5.775 357 HZ3 LYS 43 HZ3 LYS 43 -24.302 0.516 7.447 358 H ASN 44 HN ASN 44 -18.312 2.887 4.747 359 HA ASN 44 HA ASN 44 -17.336 0.228 5.221 360 HB2 ASN 44 HB2 ASN 44 -17.036 0.715 2.500 361 HB3 ASN 44 HB1 ASN 44 -18.391 -0.088 3.276 362 HD21 ASN 44 HD21 ASN 44 -20.332 0.905 3.373 363 HD22 ASN 44 HD22 ASN 44 -20.678 2.424 2.624 364 H PHE 45 HN PHE 45 -15.533 1.389 6.455 365 HA PHE 45 HA PHE 45 -13.366 2.570 5.140 366 HB2 PHE 45 HB2 PHE 45 -13.731 2.440 7.645 367 HB3 PHE 45 HB1 PHE 45 -13.222 0.759 7.576 368 HD1 PHE 45 HD1 PHE 45 -10.909 0.514 6.196 369 HD2 PHE 45 HD2 PHE 45 -12.125 3.922 8.416 370 HE1 PHE 45 HE1 PHE 45 -8.567 1.160 6.429 371 HE2 PHE 45 HE2 PHE 45 -9.780 4.609 8.654 372 HZ PHE 45 HZ PHE 45 -7.987 3.230 7.663 373 H LYS 46 HN LYS 46 -12.073 1.778 3.674 374 HA LYS 46 HA LYS 46 -12.215 -0.876 2.726 375 HB2 LYS 46 HB2 LYS 46 -11.134 1.635 1.919 376 HB3 LYS 46 HB1 LYS 46 -9.903 0.394 1.709 377 HG2 LYS 46 HG2 LYS 46 -10.911 -0.301 -0.133 378 HG3 LYS 46 HG1 LYS 46 -12.360 -0.659 0.795 379 HD2 LYS 46 HD2 LYS 46 -12.599 2.022 0.543 380 HD3 LYS 46 HD1 LYS 46 -11.777 1.621 -0.966 381 HE2 LYS 46 HE2 LYS 46 -14.392 0.530 0.054 382 HE3 LYS 46 HE1 LYS 46 -14.124 1.521 -1.378 383 HZ1 LYS 46 HZ1 LYS 46 -14.431 -0.740 -2.035 384 HZ2 LYS 46 HZ2 LYS 46 -13.233 -1.278 -0.971 385 HZ3 LYS 46 HZ3 LYS 46 -12.810 -0.328 -2.306 386 HA PRO 47 HA PRO 47 -9.005 -3.265 4.526 387 HB2 PRO 47 HB2 PRO 47 -7.053 -2.799 2.328 388 HB3 PRO 47 HB1 PRO 47 -7.614 -4.323 3.045 389 HG2 PRO 47 HG2 PRO 47 -8.510 -3.559 0.680 390 HG3 PRO 47 HG1 PRO 47 -9.592 -4.325 1.858 391 HD2 PRO 47 HD2 PRO 47 -9.370 -1.449 1.098 392 HD3 PRO 47 HD1 PRO 47 -10.813 -2.390 1.493 393 H THR 48 HN THR 48 -6.936 -3.349 5.480 394 HA THR 48 HA THR 48 -6.355 -0.856 6.737 395 HB THR 48 HB THR 48 -5.084 -2.140 8.280 396 HG1 THR 48 HG1 THR 48 -4.650 -4.401 7.782 397 HG21 THR 48 HG21 THR 48 -6.724 -3.595 9.044 398 HG22 THR 48 HG22 THR 48 -7.181 -4.068 7.404 399 HG23 THR 48 HG23 THR 48 -7.632 -2.481 8.024 400 H LYS 49 HN LYS 49 -3.884 -0.910 7.454 401 HA LYS 49 HA LYS 49 -2.487 0.313 5.397 402 HB2 LYS 49 HB2 LYS 49 -0.498 -0.130 7.063 403 HB3 LYS 49 HB1 LYS 49 -1.763 1.032 7.423 404 HG2 LYS 49 HG2 LYS 49 -2.635 -1.461 8.422 405 HG3 LYS 49 HG1 LYS 49 -0.952 -1.251 8.915 406 HD2 LYS 49 HD2 LYS 49 -2.040 -0.161 10.624 407 HD3 LYS 49 HD1 LYS 49 -1.745 1.173 9.507 408 HE2 LYS 49 HE2 LYS 49 -4.061 0.621 8.549 409 HE3 LYS 49 HE1 LYS 49 -4.302 -0.309 10.028 410 HZ1 LYS 49 HZ1 LYS 49 -4.991 2.204 9.864 411 HZ2 LYS 49 HZ2 LYS 49 -3.361 2.454 10.272 412 HZ3 LYS 49 HZ3 LYS 49 -4.360 1.558 11.303 413 H TYR 50 HN TYR 50 -2.971 -2.995 5.672 414 HA TYR 50 HA TYR 50 -0.321 -3.680 4.732 415 HB2 TYR 50 HB2 TYR 50 -2.828 -5.252 5.159 416 HB3 TYR 50 HB1 TYR 50 -1.423 -5.950 4.373 417 HD1 TYR 50 HD1 TYR 50 0.791 -5.854 5.684 418 HD2 TYR 50 HD2 TYR 50 -3.038 -5.326 7.458 419 HE1 TYR 50 HE1 TYR 50 1.718 -6.545 7.846 420 HE2 TYR 50 HE2 TYR 50 -2.115 -6.007 9.642 421 HH TYR 50 HH TYR 50 0.217 -7.727 10.143 422 H SER 51 HN SER 51 -3.487 -2.953 3.442 423 HA SER 51 HA SER 51 -2.899 -4.003 0.842 424 HB2 SER 51 HB2 SER 51 -4.916 -2.543 0.167 425 HB3 SER 51 HB1 SER 51 -5.192 -3.916 1.232 426 HG SER 51 HG SER 51 -5.254 -2.498 2.976 427 H SER 52 HN SER 52 -3.132 -2.363 -1.086 428 HA SER 52 HA SER 52 -1.109 -0.319 -0.581 429 HB2 SER 52 HB2 SER 52 -1.048 -0.690 -3.254 430 HB3 SER 52 HB1 SER 52 -0.096 -1.621 -2.099 431 HG SER 52 HG SER 52 -1.111 -3.298 -2.992 432 H ILE 53 HN ILE 53 -1.240 1.714 -1.516 433 HA ILE 53 HA ILE 53 -3.971 2.580 -2.249 434 HB ILE 53 HB ILE 53 -1.826 4.107 -0.725 435 HG12 ILE 53 HG12 ILE 53 -3.674 4.091 1.068 436 HG13 ILE 53 HG11 ILE 53 -4.394 2.790 0.135 437 HG21 ILE 53 HG21 ILE 53 -3.039 5.675 -2.050 438 HG22 ILE 53 HG22 ILE 53 -3.613 5.805 -0.382 439 HG23 ILE 53 HG23 ILE 53 -4.582 4.954 -1.582 440 HD11 ILE 53 HD11 ILE 53 -3.198 1.560 1.612 441 HD12 ILE 53 HD12 ILE 53 -1.966 2.802 1.827 442 HD13 ILE 53 HD13 ILE 53 -1.949 1.781 0.387 443 H CYS 54 HN CYS 54 -3.909 4.658 -3.691 444 HA CYS 54 HA CYS 54 -1.628 4.408 -5.512 445 HB2 CYS 54 HB2 CYS 54 -3.050 4.868 -7.362 446 HB3 CYS 54 HB1 CYS 54 -3.803 3.609 -6.412 447 H SER 55 HN SER 55 -1.104 6.289 -6.797 448 HA SER 55 HA SER 55 -0.114 8.349 -5.312 449 HB2 SER 55 HB2 SER 55 0.211 9.481 -7.557 450 HB3 SER 55 HB1 SER 55 0.835 7.838 -7.400 451 HG SER 55 HG SER 55 -0.940 8.772 -9.147 452 H GLU 56 HN GLU 56 -2.885 8.765 -7.505 453 HA GLU 56 HA GLU 56 -3.432 11.392 -7.338 454 HB2 GLU 56 HB2 GLU 56 -5.949 10.490 -7.345 455 HB3 GLU 56 HB1 GLU 56 -4.880 10.344 -8.738 456 HG2 GLU 56 HG2 GLU 56 -4.629 8.114 -8.482 457 HG3 GLU 56 HG1 GLU 56 -4.776 8.177 -6.742 458 H HIS 57 HN HIS 57 -3.676 9.321 -4.616 459 HA HIS 57 HA HIS 57 -5.647 10.972 -3.287 460 HB2 HIS 57 HB2 HIS 57 -4.076 8.578 -2.338 461 HB3 HIS 57 HB1 HIS 57 -5.318 9.400 -1.388 462 HD1 HIS 57 HD1 HIS 57 -7.652 9.708 -3.119 463 HD2 HIS 57 HD2 HIS 57 -5.137 6.422 -3.500 464 HE1 HIS 57 HE1 HIS 57 -8.995 7.926 -4.309 465 H PHE 58 HN PHE 58 -2.207 11.041 -3.519 466 HA PHE 58 HA PHE 58 -2.225 13.028 -1.352 467 HB2 PHE 58 HB2 PHE 58 0.400 11.910 -1.489 468 HB3 PHE 58 HB1 PHE 58 -0.720 11.915 -0.118 469 HD1 PHE 58 HD1 PHE 58 0.492 10.092 -3.009 470 HD2 PHE 58 HD2 PHE 58 -1.927 9.919 0.470 471 HE1 PHE 58 HE1 PHE 58 0.372 7.672 -3.237 472 HE2 PHE 58 HE2 PHE 58 -2.064 7.472 0.260 473 HZ PHE 58 HZ PHE 58 -0.908 6.339 -1.600 474 H THR 59 HN THR 59 -0.187 14.343 -1.427 475 HA THR 59 HA THR 59 0.088 15.415 -4.075 476 HB THR 59 HB THR 59 1.796 16.884 -2.690 477 HG1 THR 59 HG1 THR 59 1.308 16.879 -0.489 478 HG21 THR 59 HG21 THR 59 -1.207 16.908 -2.585 479 HG22 THR 59 HG22 THR 59 -0.129 17.881 -3.588 480 HG23 THR 59 HG23 THR 59 -0.239 18.191 -1.856 481 HA PRO 60 HA PRO 60 3.647 13.273 -5.530 482 HB2 PRO 60 HB2 PRO 60 5.054 15.625 -6.274 483 HB3 PRO 60 HB1 PRO 60 3.980 14.670 -7.308 484 HG2 PRO 60 HG2 PRO 60 3.387 17.130 -5.748 485 HG3 PRO 60 HG1 PRO 60 2.796 16.635 -7.346 486 HD2 PRO 60 HD2 PRO 60 1.211 16.452 -5.243 487 HD3 PRO 60 HD1 PRO 60 1.268 15.126 -6.425 488 H ASP 61 HN ASP 61 3.998 16.124 -3.541 489 HA ASP 61 HA ASP 61 6.662 15.856 -2.722 490 HB2 ASP 61 HB2 ASP 61 4.586 16.762 -0.761 491 HB3 ASP 61 HB1 ASP 61 6.189 17.421 -1.059 492 H SER 62 HN SER 62 3.697 14.494 -1.391 493 HA SER 62 HA SER 62 5.147 13.036 0.678 494 HB2 SER 62 HB2 SER 62 2.769 14.291 0.744 495 HB3 SER 62 HB1 SER 62 2.235 12.654 0.349 496 HG SER 62 HG SER 62 2.696 12.059 2.304 497 H PHE 63 HN PHE 63 4.478 12.503 -2.466 498 HA PHE 63 HA PHE 63 3.170 10.229 -2.883 499 HB2 PHE 63 HB2 PHE 63 5.550 11.333 -4.177 500 HB3 PHE 63 HB1 PHE 63 5.269 9.628 -4.444 501 HD1 PHE 63 HD2 PHE 63 2.082 10.235 -4.174 502 HD2 PHE 63 HD1 PHE 63 5.287 11.600 -6.623 503 HE1 PHE 63 HE2 PHE 63 0.491 10.760 -5.935 504 HE2 PHE 63 HE1 PHE 63 3.683 12.127 -8.410 505 HZ PHE 63 HZ PHE 63 1.282 11.709 -8.071 506 H LYS 64 HN LYS 64 6.603 10.063 -1.731 507 HA LYS 64 HA LYS 64 6.150 7.701 -0.274 508 HB2 LYS 64 HB2 LYS 64 7.266 6.017 -1.692 509 HB3 LYS 64 HB1 LYS 64 5.773 6.610 -2.387 510 HG2 LYS 64 HG2 LYS 64 6.981 7.993 -3.945 511 HG3 LYS 64 HG1 LYS 64 8.515 7.565 -3.185 512 HD2 LYS 64 HD2 LYS 64 8.499 6.128 -4.982 513 HD3 LYS 64 HD1 LYS 64 7.749 5.119 -3.745 514 HE2 LYS 64 HE2 LYS 64 5.539 6.197 -4.670 515 HE3 LYS 64 HE1 LYS 64 6.520 6.465 -6.107 516 HZ1 LYS 64 HZ1 LYS 64 5.981 3.850 -4.798 517 HZ2 LYS 64 HZ2 LYS 64 7.031 4.066 -6.109 518 HZ3 LYS 64 HZ3 LYS 64 5.381 4.371 -6.293 519 H ARG 65 HN ARG 65 8.740 6.467 -1.142 520 HA ARG 65 HA ARG 65 10.440 7.634 0.747 521 HB2 ARG 65 HB2 ARG 65 12.212 6.205 -0.316 522 HB3 ARG 65 HB1 ARG 65 10.765 5.346 0.189 523 HG2 ARG 65 HG2 ARG 65 10.026 5.679 -2.281 524 HG3 ARG 65 HG1 ARG 65 11.743 5.968 -2.563 525 HD2 ARG 65 HD2 ARG 65 10.949 3.569 -1.000 526 HD3 ARG 65 HD1 ARG 65 10.699 3.547 -2.743 527 HE ARG 65 HE ARG 65 13.256 4.344 -2.559 528 HH11 ARG 65 HH11 ARG 65 11.532 1.734 -1.000 529 HH12 ARG 65 HH12 ARG 65 12.904 0.673 -0.943 530 HH21 ARG 65 HH21 ARG 65 15.097 2.933 -2.515 531 HH22 ARG 65 HH22 ARG 65 14.939 1.354 -1.816 532 H GLU 66 HN GLU 66 9.758 8.606 -2.405 533 HA GLU 66 HA GLU 66 12.282 9.912 -2.899 534 HB2 GLU 66 HB2 GLU 66 9.716 10.220 -4.499 535 HB3 GLU 66 HB1 GLU 66 11.356 10.589 -5.012 536 HG2 GLU 66 HG2 GLU 66 11.943 8.322 -5.157 537 HG3 GLU 66 HG1 GLU 66 10.530 7.813 -4.237 538 H SER 67 HN SER 67 10.080 10.488 -0.734 539 HA SER 67 HA SER 67 9.298 13.185 -1.125 540 HB2 SER 67 HB2 SER 67 7.936 11.879 0.287 541 HB3 SER 67 HB1 SER 67 9.298 11.273 1.204 542 HG SER 67 HG SER 67 8.550 12.753 2.532 543 H ASN 68 HN ASN 68 10.659 12.831 1.969 544 HA ASN 68 HA ASN 68 12.728 14.782 1.282 545 HB2 ASN 68 HB2 ASN 68 11.076 14.278 3.684 546 HB3 ASN 68 HB1 ASN 68 12.724 14.823 3.977 547 HD21 ASN 68 HD21 ASN 68 12.110 16.799 4.756 548 HD22 ASN 68 HD22 ASN 68 11.417 18.034 3.765 549 H ASN 69 HN ASN 69 12.528 12.317 3.860 550 HA ASN 69 HA ASN 69 15.378 11.802 3.488 551 HB2 ASN 69 HB2 ASN 69 14.828 12.148 5.769 552 HB3 ASN 69 HB1 ASN 69 13.420 11.099 5.672 553 HD21 ASN 69 HD21 ASN 69 13.941 9.688 7.262 554 HD22 ASN 69 HD22 ASN 69 15.311 8.631 7.210 555 H LYS 70 HN LYS 70 12.676 9.605 4.289 556 HA LYS 70 HA LYS 70 13.436 7.929 2.031 557 HB2 LYS 70 HB2 LYS 70 14.611 7.380 4.377 558 HB3 LYS 70 HB1 LYS 70 13.120 6.484 4.605 559 HG2 LYS 70 HG2 LYS 70 14.745 4.990 3.715 560 HG3 LYS 70 HG1 LYS 70 13.572 5.318 2.440 561 HD2 LYS 70 HD2 LYS 70 15.732 5.396 1.441 562 HD3 LYS 70 HD1 LYS 70 15.162 7.061 1.568 563 HE2 LYS 70 HE2 LYS 70 16.479 7.259 3.690 564 HE3 LYS 70 HE1 LYS 70 17.151 5.665 3.356 565 HZ1 LYS 70 HZ1 LYS 70 18.592 7.493 2.615 566 HZ2 LYS 70 HZ2 LYS 70 17.389 8.005 1.548 567 HZ3 LYS 70 HZ3 LYS 70 18.118 6.494 1.334 568 H LEU 71 HN LEU 71 11.033 9.378 3.705 569 HA LEU 71 HA LEU 71 9.053 7.674 2.495 570 HB2 LEU 71 HB2 LEU 71 9.723 7.289 5.210 571 HB3 LEU 71 HB1 LEU 71 8.182 8.121 5.201 572 HG LEU 71 HG LEU 71 8.740 5.349 4.727 573 HD11 LEU 71 HD11 LEU 71 6.265 5.223 4.859 574 HD12 LEU 71 HD12 LEU 71 6.221 6.986 4.880 575 HD13 LEU 71 HD13 LEU 71 7.008 6.106 6.191 576 HD21 LEU 71 HD21 LEU 71 8.808 5.799 2.375 577 HD22 LEU 71 HD22 LEU 71 7.350 6.791 2.475 578 HD23 LEU 71 HD23 LEU 71 7.256 5.052 2.756 579 H LEU 72 HN LEU 72 6.766 8.554 3.311 580 HA LEU 72 HA LEU 72 6.503 11.122 2.214 581 HB2 LEU 72 HB2 LEU 72 4.347 10.422 4.034 582 HB3 LEU 72 HB1 LEU 72 4.297 10.746 2.310 583 HG LEU 72 HG LEU 72 5.404 8.218 2.404 584 HD11 LEU 72 HD11 LEU 72 4.341 6.914 3.990 585 HD12 LEU 72 HD12 LEU 72 3.099 8.126 4.292 586 HD13 LEU 72 HD13 LEU 72 4.734 8.373 4.904 587 HD21 LEU 72 HD21 LEU 72 3.122 7.471 1.722 588 HD22 LEU 72 HD22 LEU 72 3.733 8.859 0.820 589 HD23 LEU 72 HD23 LEU 72 2.542 9.096 2.099 590 H LYS 73 HN LYS 73 5.334 12.913 3.333 591 HA LYS 73 HA LYS 73 6.862 13.652 5.662 592 HB2 LYS 73 HB2 LYS 73 5.082 15.699 5.350 593 HB3 LYS 73 HB1 LYS 73 6.670 15.634 4.623 594 HG2 LYS 73 HG2 LYS 73 4.251 14.571 3.210 595 HG3 LYS 73 HG1 LYS 73 4.691 16.276 3.151 596 HD2 LYS 73 HD2 LYS 73 6.275 13.920 2.147 597 HD3 LYS 73 HD1 LYS 73 5.589 15.237 1.199 598 HE2 LYS 73 HE2 LYS 73 7.188 16.621 2.878 599 HE3 LYS 73 HE1 LYS 73 8.074 15.099 2.766 600 HZ1 LYS 73 HZ1 LYS 73 7.884 15.346 0.297 601 HZ2 LYS 73 HZ2 LYS 73 8.891 16.468 1.063 602 HZ3 LYS 73 HZ3 LYS 73 7.347 16.930 0.562 603 H GLU 74 HN GLU 74 6.236 13.312 7.624 604 HA GLU 74 HA GLU 74 3.933 12.015 8.406 605 HB2 GLU 74 HB2 GLU 74 4.525 12.459 10.646 606 HB3 GLU 74 HB1 GLU 74 6.033 12.296 9.763 607 HG2 GLU 74 HG2 GLU 74 4.741 14.909 10.507 608 HG3 GLU 74 HG1 GLU 74 6.028 14.128 11.423 609 H ASN 75 HN ASN 75 4.403 15.316 7.703 610 HA ASN 75 HA ASN 75 1.967 16.211 8.989 611 HB2 ASN 75 HB2 ASN 75 4.341 17.433 7.849 612 HB3 ASN 75 HB1 ASN 75 2.868 18.241 7.319 613 HD21 ASN 75 HD21 ASN 75 3.148 16.583 10.357 614 HD22 ASN 75 HD22 ASN 75 3.083 17.984 11.351 615 H ALA 76 HN ALA 76 2.292 14.365 6.436 616 HA ALA 76 HA ALA 76 0.150 15.754 4.961 617 HB1 ALA 76 HB1 ALA 76 2.035 14.034 3.435 618 HB2 ALA 76 HB2 ALA 76 2.572 15.640 3.924 619 HB3 ALA 76 HB3 ALA 76 1.133 15.463 2.919 620 H VAL 77 HN VAL 77 -1.616 14.679 4.652 621 HA VAL 77 HA VAL 77 -1.571 11.754 4.585 622 HB VAL 77 HB VAL 77 -2.280 11.991 6.778 623 HG11 VAL 77 HG11 VAL 77 -3.613 13.684 7.725 624 HG12 VAL 77 HG12 VAL 77 -4.093 14.290 6.134 625 HG13 VAL 77 HG13 VAL 77 -2.427 14.481 6.683 626 HG21 VAL 77 HG21 VAL 77 -4.796 12.058 5.135 627 HG22 VAL 77 HG22 VAL 77 -4.748 11.657 6.852 628 HG23 VAL 77 HG23 VAL 77 -3.909 10.635 5.683 629 HA PRO 78 HA PRO 78 -3.751 12.165 0.776 630 HB2 PRO 78 HB2 PRO 78 -5.485 9.988 1.194 631 HB3 PRO 78 HB1 PRO 78 -3.875 9.910 0.455 632 HG2 PRO 78 HG2 PRO 78 -4.695 9.345 3.246 633 HG3 PRO 78 HG1 PRO 78 -3.473 8.549 2.231 634 HD2 PRO 78 HD2 PRO 78 -2.734 10.224 4.145 635 HD3 PRO 78 HD1 PRO 78 -1.905 10.238 2.578 636 H THR 79 HN THR 79 -4.920 14.032 0.959 637 HA THR 79 HA THR 79 -7.558 13.908 2.223 638 HB THR 79 HB THR 79 -5.959 15.789 2.754 639 HG1 THR 79 HG1 THR 79 -8.087 17.160 1.687 640 HG21 THR 79 HG21 THR 79 -6.452 16.389 -0.142 641 HG22 THR 79 HG22 THR 79 -4.929 16.381 0.751 642 HG23 THR 79 HG23 THR 79 -6.092 17.684 1.000 643 H ILE 80 HN ILE 80 -6.014 13.707 -0.744 644 HA ILE 80 HA ILE 80 -8.063 14.817 -2.414 645 HB ILE 80 HB ILE 80 -6.099 12.876 -3.520 646 HG12 ILE 80 HG12 ILE 80 -5.088 14.631 -1.732 647 HG13 ILE 80 HG11 ILE 80 -4.208 14.079 -3.149 648 HG21 ILE 80 HG21 ILE 80 -6.031 14.526 -5.347 649 HG22 ILE 80 HG22 ILE 80 -7.165 15.536 -4.446 650 HG23 ILE 80 HG23 ILE 80 -7.657 13.937 -5.009 651 HD11 ILE 80 HD11 ILE 80 -5.560 16.705 -2.677 652 HD12 ILE 80 HD12 ILE 80 -5.208 16.141 -4.310 653 HD13 ILE 80 HD13 ILE 80 -3.892 16.371 -3.155 654 H PHE 81 HN PHE 81 -8.247 12.219 -0.525 655 HA PHE 81 HA PHE 81 -8.893 9.962 -1.919 656 HB2 PHE 81 HB2 PHE 81 -9.943 11.135 0.610 657 HB3 PHE 81 HB1 PHE 81 -10.771 9.743 -0.064 658 HD1 PHE 81 HD2 PHE 81 -7.617 9.077 -1.113 659 HD2 PHE 81 HD1 PHE 81 -9.792 9.408 2.529 660 HE1 PHE 81 HE2 PHE 81 -6.007 7.585 -0.021 661 HE2 PHE 81 HE1 PHE 81 -8.176 7.913 3.626 662 HZ PHE 81 HZ PHE 81 -6.279 7.002 2.350 663 H LEU 82 HN LEU 82 -11.270 12.457 -1.031 664 HA LEU 82 HA LEU 82 -12.651 12.218 -3.528 665 HB2 LEU 82 HB2 LEU 82 -13.386 10.466 -1.415 666 HB3 LEU 82 HB1 LEU 82 -14.655 11.656 -1.561 667 HG LEU 82 HG LEU 82 -14.389 9.303 -3.022 668 HD11 LEU 82 HD11 LEU 82 -16.492 10.262 -2.525 669 HD12 LEU 82 HD12 LEU 82 -16.343 10.227 -4.281 670 HD13 LEU 82 HD13 LEU 82 -16.106 11.737 -3.408 671 HD21 LEU 82 HD21 LEU 82 -13.967 11.624 -4.897 672 HD22 LEU 82 HD22 LEU 82 -14.143 9.922 -5.316 673 HD23 LEU 82 HD23 LEU 82 -12.708 10.471 -4.451 674 H GLU 83 HN GLU 83 -14.579 13.666 -3.550 675 HA GLU 83 HA GLU 83 -14.003 16.102 -2.195 676 HB2 GLU 83 HB2 GLU 83 -14.988 15.984 -4.486 677 HB3 GLU 83 HB1 GLU 83 -16.472 15.358 -3.785 678 HG2 GLU 83 HG2 GLU 83 -16.641 17.735 -4.280 679 HG3 GLU 83 HG1 GLU 83 -16.785 17.425 -2.552 680 H LEU 84 HN LEU 84 -17.158 14.453 -2.271 681 HA LEU 84 HA LEU 84 -17.253 14.599 0.648 682 HB2 LEU 84 HB2 LEU 84 -18.457 16.527 -0.714 683 HB3 LEU 84 HB1 LEU 84 -19.710 15.315 -0.881 684 HG LEU 84 HG LEU 84 -19.866 17.022 1.054 685 HD11 LEU 84 HD11 LEU 84 -20.820 15.253 2.560 686 HD12 LEU 84 HD12 LEU 84 -20.240 14.061 1.396 687 HD13 LEU 84 HD13 LEU 84 -21.433 15.262 0.906 688 HD21 LEU 84 HD21 LEU 84 -18.686 16.584 3.027 689 HD22 LEU 84 HD22 LEU 84 -17.470 16.522 1.752 690 HD23 LEU 84 HD23 LEU 84 -18.104 15.028 2.441 691 H VAL 85 HN VAL 85 -19.460 13.695 -2.002 692 HA VAL 85 HA VAL 85 -19.311 10.913 -1.284 693 HB VAL 85 HB VAL 85 -20.929 11.522 0.343 694 HG11 VAL 85 HG11 VAL 85 -22.636 12.808 -1.775 695 HG12 VAL 85 HG12 VAL 85 -21.527 13.710 -0.745 696 HG13 VAL 85 HG13 VAL 85 -22.876 12.830 -0.027 697 HG21 VAL 85 HG21 VAL 85 -22.889 10.250 -0.321 698 HG22 VAL 85 HG22 VAL 85 -21.416 9.464 -0.885 699 HG23 VAL 85 HG23 VAL 85 -22.416 10.375 -2.016 700 HA PRO 86 HA PRO 86 -19.893 10.766 -5.683 701 HB2 PRO 86 HB2 PRO 86 -20.547 7.920 -5.266 702 HB3 PRO 86 HB1 PRO 86 -19.198 8.646 -6.160 703 HG2 PRO 86 HG2 PRO 86 -18.849 7.370 -3.833 704 HG3 PRO 86 HG1 PRO 86 -17.852 8.751 -4.332 705 HD2 PRO 86 HD2 PRO 86 -20.090 8.665 -2.363 706 HD3 PRO 86 HD1 PRO 86 -18.583 9.591 -2.321 707 H ARG 87 HN ARG 87 -21.524 9.902 -7.249 708 HA ARG 87 HA ARG 87 -24.207 9.648 -6.107 709 HB2 ARG 87 HB2 ARG 87 -24.992 11.140 -8.050 710 HB3 ARG 87 HB1 ARG 87 -24.242 11.924 -6.669 711 HG2 ARG 87 HG2 ARG 87 -23.123 13.011 -8.295 712 HG3 ARG 87 HG1 ARG 87 -22.072 11.599 -8.195 713 HD2 ARG 87 HD2 ARG 87 -22.470 11.853 -10.487 714 HD3 ARG 87 HD1 ARG 87 -23.587 10.581 -9.995 715 HE ARG 87 HE ARG 87 -24.328 13.383 -10.540 716 HH11 ARG 87 HH11 ARG 87 -25.242 10.015 -10.156 717 HH12 ARG 87 HH12 ARG 87 -26.823 10.252 -10.842 718 HH21 ARG 87 HH21 ARG 87 -26.398 13.684 -11.407 719 HH22 ARG 87 HH22 ARG 87 -27.489 12.338 -11.531 720 H5' DG 1 H5' G 1 32.453 0.023 -6.296 721 H5'' DG 1 H5'' G 1 31.653 -0.460 -7.805 722 H4' DG 1 H4' G 1 32.186 -2.450 -6.679 723 H3' DG 1 H3' G 1 29.656 -2.180 -7.421 724 H2' DG 1 H2' G 1 28.787 -1.084 -5.480 725 H2'' DG 1 H2'' G 1 28.436 -2.761 -5.087 726 H1' DG 1 H1' G 1 30.286 -2.956 -3.615 727 H8 DG 1 H8 G 1 29.661 0.760 -4.504 728 H1 DG 1 H1 G 1 29.912 -0.610 1.757 729 H21 DG 1 H21 G 1 30.618 -3.842 0.702 730 H22 DG 1 H22 G 1 30.370 -2.750 2.053 731 HO5' DG 1 H5T G 1 29.950 -0.118 -5.669 732 H5' DC 2 H5' C 2 30.420 -5.642 -4.405 733 H5'' DC 2 H5'' C 2 30.017 -7.051 -5.406 734 H4' DC 2 H4' C 2 29.719 -7.782 -3.216 735 H3' DC 2 H3' C 2 27.571 -8.023 -4.752 736 H2' DC 2 H2' C 2 26.556 -5.894 -4.358 737 H2'' DC 2 H2'' C 2 25.728 -6.872 -3.159 738 H1' DC 2 H1' C 2 27.090 -6.092 -1.378 739 H41 DC 2 H41 C 2 26.512 0.211 -3.286 740 H42 DC 2 H42 C 2 26.497 0.201 -1.538 741 H5 DC 2 H5 C 2 26.859 -1.776 -4.615 742 H6 DC 2 H6 C 2 27.234 -4.185 -4.536 743 H5' DT 3 H5' T 3 27.132 -8.754 -0.262 744 H5'' DT 3 H5'' T 3 26.627 -10.453 -0.171 745 H4' DT 3 H4' T 3 25.990 -9.554 1.877 746 H3' DT 3 H3' T 3 24.013 -10.648 0.490 747 H2' DT 3 H2' T 3 23.299 -8.729 -0.764 748 H2'' DT 3 H2'' T 3 22.200 -8.660 0.605 749 H1' DT 3 H1' T 3 23.464 -6.991 1.721 750 H3 DT 3 H3 T 3 23.699 -3.034 -0.295 751 H71 DT 3 H71 T 3 22.921 -5.674 -4.306 752 H72 DT 3 H72 T 3 24.251 -6.836 -4.101 753 H73 DT 3 H73 T 3 24.608 -5.124 -4.438 754 H6 DT 3 H6 T 3 24.134 -7.523 -1.859 755 H5' DT 4 H5' T 4 22.972 -8.157 4.163 756 H5'' DT 4 H5'' T 4 22.282 -9.388 5.235 757 H4' DT 4 H4' T 4 21.541 -7.378 6.123 758 H3' DT 4 H3' T 4 19.594 -9.049 5.461 759 H2' DT 4 H2' T 4 19.232 -8.366 3.195 760 H2'' DT 4 H2'' T 4 18.026 -7.393 4.022 761 H1' DT 4 H1' T 4 19.365 -5.440 3.980 762 H3 DT 4 H3 T 4 20.324 -3.765 -0.025 763 H71 DT 4 H71 T 4 21.141 -9.063 -0.371 764 H72 DT 4 H72 T 4 21.390 -7.947 -1.737 765 H73 DT 4 H73 T 4 19.753 -8.508 -1.336 766 H6 DT 4 H6 T 4 20.357 -8.195 1.740 767 H5' DG 5 H5' G 5 18.499 -4.716 6.838 768 H5'' DG 5 H5'' G 5 17.488 -5.067 8.252 769 H4' DG 5 H4' G 5 16.902 -2.899 7.652 770 H3' DG 5 H3' G 5 14.864 -4.596 7.689 771 H2' DG 5 H2' G 5 14.944 -5.375 5.417 772 H2'' DG 5 H2'' G 5 13.793 -4.053 5.260 773 H1' DG 5 H1' G 5 15.377 -2.558 4.392 774 H8 DG 5 H8 G 5 16.615 -6.218 4.227 775 H1 DG 5 H1 G 5 17.133 -2.815 -1.175 776 H21 DG 5 H21 G 5 16.001 -0.163 0.759 777 H22 DG 5 H22 G 5 16.524 -0.707 -0.819 778 H5' DT 6 H5' T 6 14.041 -0.377 5.824 779 H5'' DT 6 H5'' T 6 12.841 0.256 6.969 780 H4' DT 6 H4' T 6 12.501 1.501 5.037 781 H3' DT 6 H3' T 6 10.356 0.207 5.887 782 H2' DT 6 H2' T 6 10.645 -1.859 4.708 783 H2'' DT 6 H2'' T 6 9.583 -0.999 3.611 784 H1' DT 6 H1' T 6 11.362 -0.373 2.163 785 H3 DT 6 H3 T 6 13.618 -3.661 0.127 786 H71 DT 6 H71 T 6 11.884 -6.317 3.805 787 H72 DT 6 H72 T 6 12.488 -5.310 5.140 788 H73 DT 6 H73 T 6 13.633 -6.190 4.099 789 H6 DT 6 H6 T 6 11.899 -3.109 4.541 790 H5' DG 7 H5' G 7 10.318 2.607 1.913 791 H5'' DG 7 H5'' G 7 8.920 3.680 2.113 792 H4' DG 7 H4' G 7 9.296 3.640 -0.180 793 H3' DG 7 H3' G 7 6.864 2.887 0.538 794 H2' DG 7 H2' G 7 7.241 0.537 0.817 795 H2'' DG 7 H2'' G 7 6.661 0.583 -0.841 796 H1' DG 7 H1' G 7 8.843 0.411 -1.761 797 H8 DG 7 H8 G 7 9.059 -0.367 2.026 798 H1 DG 7 H1 G 7 11.049 -4.996 -1.946 799 H21 DG 7 H21 G 7 10.391 -2.698 -4.449 800 H22 DG 7 H22 G 7 10.944 -4.305 -4.031 801 H5' DT 8 H5' T 8 8.020 1.583 -3.769 802 H5'' DT 8 H5'' T 8 6.933 2.663 -4.662 803 H4' DT 8 H4' T 8 7.311 0.932 -6.154 804 H3' DT 8 H3' T 8 4.759 1.277 -5.522 805 H2' DT 8 H2' T 8 4.635 -0.175 -3.607 806 H2'' DT 8 H2'' T 8 4.079 -1.250 -4.881 807 H1' DT 8 H1' T 8 6.192 -2.308 -5.102 808 H3 DT 8 H3 T 8 7.480 -4.763 -1.654 809 H71 DT 8 H71 T 8 6.626 -1.185 1.301 810 H72 DT 8 H72 T 8 5.572 -0.120 0.336 811 H73 DT 8 H73 T 8 4.928 -1.632 1.014 812 H6 DT 8 H6 T 8 5.672 -0.359 -1.993 813 H5' DG 9 H5' G 9 5.141 -3.427 -7.436 814 H5'' DG 9 H5'' G 9 4.360 -2.716 -8.861 815 H4' DG 9 H4' G 9 3.496 -4.830 -8.893 816 H3' DG 9 H3' G 9 1.612 -3.013 -8.466 817 H2' DG 9 H2' G 9 1.642 -2.939 -6.075 818 H2'' DG 9 H2'' G 9 0.373 -4.127 -6.340 819 H1' DG 9 H1' G 9 1.792 -5.967 -5.936 820 H8 DG 9 H8 G 9 2.443 -2.651 -4.296 821 H1 DG 9 H1 G 9 4.500 -7.724 -0.940 822 H21 DG 9 H21 G 9 4.098 -9.465 -3.901 823 H22 DG 9 H22 G 9 4.585 -9.515 -2.227 824 H5' DG 10 H5' G 10 0.830 -7.344 -7.873 825 H5'' DG 10 H5'' G 10 -0.092 -7.567 -9.370 826 H4' DG 10 H4' G 10 -0.454 -9.547 -8.268 827 H3' DG 10 H3' G 10 -2.700 -8.202 -8.681 828 H2' DG 10 H2' G 10 -2.780 -6.907 -6.655 829 H2'' DG 10 H2'' G 10 -3.752 -8.301 -6.185 830 H1' DG 10 H1' G 10 -1.996 -9.343 -5.037 831 H8 DG 10 H8 G 10 -1.644 -5.518 -5.423 832 H1 DG 10 H1 G 10 0.100 -8.084 0.202 833 H21 DG 10 H21 G 10 -0.056 -11.086 -1.490 834 H22 DG 10 H22 G 10 0.298 -10.270 0.008 835 H5' DG 11 H5' G 11 -2.704 -11.541 -5.483 836 H5'' DG 11 H5'' G 11 -3.146 -12.572 -6.859 837 H4' DG 11 H4' G 11 -3.543 -13.982 -5.110 838 H3' DG 11 H3' G 11 -5.772 -13.357 -6.399 839 H2' DG 11 H2' G 11 -6.443 -11.442 -5.155 840 H2'' DG 11 H2'' G 11 -7.338 -12.690 -4.303 841 H1' DG 11 H1' G 11 -5.770 -12.812 -2.526 842 H8 DG 11 H8 G 11 -5.814 -9.567 -4.565 843 H1 DG 11 H1 G 11 -4.797 -8.874 1.749 844 H21 DG 11 H21 G 11 -4.370 -12.304 1.730 845 H22 DG 11 H22 G 11 -4.366 -10.830 2.670 846 H5' DC 12 H5' C 12 -6.116 -16.010 -2.530 847 H5'' DC 12 H5'' C 12 -6.770 -17.454 -3.328 848 H4' DC 12 H4' C 12 -7.303 -17.724 -1.076 849 H3' DC 12 H3' C 12 -9.377 -17.794 -2.722 850 H2' DC 12 H2' C 12 -9.955 -15.484 -2.753 851 H2'' DC 12 H2'' C 12 -11.011 -16.047 -1.465 852 H1' DC 12 H1' C 12 -9.596 -15.237 0.252 853 H41 DC 12 H41 C 12 -9.079 -9.390 -2.775 854 H42 DC 12 H42 C 12 -9.037 -9.087 -1.057 855 H5 DC 12 H5 C 12 -9.054 -11.642 -3.713 856 H6 DC 12 H6 C 12 -9.031 -14.013 -3.181 857 H5' DA 13 H5' A 13 -10.338 -18.218 2.034 858 H5'' DA 13 H5'' A 13 -11.356 -19.668 1.923 859 H4' DA 13 H4' A 13 -11.874 -18.456 3.932 860 H3' DA 13 H3' A 13 -13.845 -19.392 2.434 861 H2' DA 13 H2' A 13 -14.137 -17.542 0.947 862 H2'' DA 13 H2'' A 13 -15.330 -17.150 2.178 863 H1' DA 13 H1' A 13 -13.934 -15.546 3.224 864 H8 DA 13 H8 A 13 -12.941 -16.428 -0.405 865 H61 DA 13 H61 A 13 -12.167 -11.868 -1.903 866 H62 DA 13 H62 A 13 -12.130 -10.318 -1.084 867 H2 DA 13 H2 A 13 -12.982 -11.157 3.243 868 H5' DG 14 H5' G 14 -15.185 -16.717 6.317 869 H5'' DG 14 H5'' G 14 -16.373 -17.861 6.971 870 H4' DG 14 H4' G 14 -16.950 -15.669 7.711 871 H3' DG 14 H3' G 14 -18.852 -17.202 6.683 872 H2' DG 14 H2' G 14 -18.633 -16.613 4.377 873 H2'' DG 14 H2'' G 14 -19.897 -15.501 4.879 874 H1' DG 14 H1' G 14 -18.398 -13.666 5.069 875 H8 DG 14 H8 G 14 -17.096 -16.601 2.944 876 H1 DG 14 H1 G 14 -16.137 -10.727 0.543 877 H21 DG 14 H21 G 14 -17.293 -9.621 3.607 878 H22 DG 14 H22 G 14 -16.670 -9.203 2.030 879 H5' DC 15 H5' C 15 -20.496 -12.674 8.090 880 H5'' DC 15 H5'' C 15 -22.030 -13.243 8.771 881 H4' DC 15 H4' C 15 -22.280 -10.978 8.033 882 H3' DC 15 H3' C 15 -24.111 -12.791 7.386 883 H2' DC 15 H2' C 15 -23.260 -13.561 5.335 884 H2'' DC 15 H2'' C 15 -24.307 -12.281 4.739 885 H1' DC 15 H1' C 15 -22.533 -10.766 4.413 886 H41 DC 15 H41 C 15 -19.344 -15.529 1.193 887 H42 DC 15 H42 C 15 -19.020 -14.045 0.344 888 H5 DC 15 H5 C 15 -20.482 -15.609 3.336 889 H6 DC 15 H6 C 15 -21.657 -14.289 5.013 890 H5' DG 16 H5' G 16 -26.919 -8.411 6.980 891 H5'' DG 16 H5'' G 16 -28.317 -9.087 6.133 892 H4' DG 16 H4' G 16 -27.768 -6.695 5.620 893 H3' DG 16 H3' G 16 -28.853 -8.424 3.915 894 H2' DG 16 H2' G 16 -27.067 -9.332 2.853 895 H2'' DG 16 H2'' G 16 -27.322 -7.974 1.768 896 H1' DG 16 H1' G 16 -25.491 -6.784 2.641 897 H8 DG 16 H8 G 16 -24.770 -9.664 5.021 898 H1 DG 16 H1 G 16 -22.658 -10.672 -0.938 899 H21 DG 16 H21 G 16 -23.989 -7.561 -1.641 900 H22 DG 16 H22 G 16 -23.121 -8.956 -2.224 901 H5' DC 17 H5' C 17 -23.604 -13.512 -8.029 902 H5'' DC 17 H5'' C 17 -22.137 -13.960 -8.913 903 H4' DC 17 H4' C 17 -22.372 -11.544 -8.669 904 H3' DC 17 H3' C 17 -19.998 -12.699 -8.469 905 H2' DC 17 H2' C 17 -20.010 -13.243 -6.131 906 H2'' DC 17 H2'' C 17 -19.186 -11.691 -6.106 907 H1' DC 17 H1' C 17 -21.122 -10.516 -5.412 908 H41 DC 17 H41 C 17 -22.303 -15.001 -0.724 909 H42 DC 17 H42 C 17 -22.743 -13.451 -0.068 910 H5 DC 17 H5 C 17 -21.610 -15.316 -3.033 911 H6 DC 17 H6 C 17 -21.191 -14.185 -5.154 912 H5' DG 18 H5' G 18 -20.374 -8.352 -7.086 913 H5'' DG 18 H5'' G 18 -19.295 -7.448 -8.165 914 H4' DG 18 H4' G 18 -19.571 -6.079 -6.297 915 H3' DG 18 H3' G 18 -17.055 -6.651 -6.890 916 H2' DG 18 H2' G 18 -16.786 -8.656 -5.604 917 H2'' DG 18 H2'' G 18 -16.174 -7.456 -4.476 918 H1' DG 18 H1' G 18 -18.190 -7.396 -3.223 919 H8 DG 18 H8 G 18 -17.680 -10.507 -5.413 920 H1 DG 18 H1 G 18 -19.985 -11.587 0.473 921 H21 DG 18 H21 G 18 -20.294 -8.143 0.644 922 H22 DG 18 H22 G 18 -20.516 -9.680 1.449 923 H5' DC 19 H5' C 19 -17.952 -4.634 -2.909 924 H5'' DC 19 H5'' C 19 -17.150 -3.055 -3.046 925 H4' DC 19 H4' C 19 -17.465 -3.364 -0.758 926 H3' DC 19 H3' C 19 -14.955 -2.926 -1.482 927 H2' DC 19 H2' C 19 -14.248 -5.178 -1.866 928 H2'' DC 19 H2'' C 19 -13.748 -4.968 -0.193 929 H1' DC 19 H1' C 19 -15.617 -6.140 0.669 930 H41 DC 19 H41 C 19 -14.978 -11.083 -3.701 931 H42 DC 19 H42 C 19 -15.443 -11.769 -2.163 932 H5 DC 19 H5 C 19 -14.815 -8.654 -4.045 933 H6 DC 19 H6 C 19 -15.015 -6.478 -2.964 934 H5' DT 20 H5' T 20 -15.494 -3.831 3.323 935 H5'' DT 20 H5'' T 20 -14.596 -2.410 3.889 936 H4' DT 20 H4' T 20 -14.554 -4.165 5.545 937 H3' DT 20 H3' T 20 -12.345 -2.798 5.043 938 H2' DT 20 H2' T 20 -11.479 -4.109 3.223 939 H2'' DT 20 H2'' T 20 -10.640 -4.842 4.583 940 H1' DT 20 H1' T 20 -12.103 -6.699 4.676 941 H3 DT 20 H3 T 20 -12.389 -9.360 1.113 942 H71 DT 20 H71 T 20 -12.395 -5.600 -1.748 943 H72 DT 20 H72 T 20 -11.907 -4.278 -0.663 944 H73 DT 20 H73 T 20 -10.698 -5.453 -1.235 945 H6 DT 20 H6 T 20 -12.108 -4.629 1.647 946 H5' DG 21 H5' G 21 -11.316 -6.907 7.752 947 H5'' DG 21 H5'' G 21 -10.819 -5.880 9.115 948 H4' DG 21 H4' G 21 -9.538 -7.799 9.362 949 H3' DG 21 H3' G 21 -8.111 -5.589 9.107 950 H2' DG 21 H2' G 21 -7.871 -5.537 6.726 951 H2'' DG 21 H2'' G 21 -6.390 -6.367 7.180 952 H1' DG 21 H1' G 21 -7.255 -8.509 6.637 953 H8 DG 21 H8 G 21 -8.664 -5.422 5.002 954 H1 DG 21 H1 G 21 -8.874 -10.670 1.321 955 H21 DG 21 H21 G 21 -8.174 -12.368 4.264 956 H22 DG 21 H22 G 21 -8.518 -12.484 2.554 957 H5' DC 22 H5' C 22 -5.953 -9.537 8.867 958 H5'' DC 22 H5'' C 22 -4.915 -9.535 10.305 959 H4' DC 22 H4' C 22 -3.986 -11.164 8.936 960 H3' DC 22 H3' C 22 -2.337 -9.188 9.587 961 H2' DC 22 H2' C 22 -2.739 -7.702 7.775 962 H2'' DC 22 H2'' C 22 -1.359 -8.588 7.145 963 H1' DC 22 H1' C 22 -2.691 -9.984 5.779 964 H41 DC 22 H41 C 22 -5.597 -4.664 3.151 965 H42 DC 22 H42 C 22 -5.548 -5.938 1.958 966 H5 DC 22 H5 C 22 -5.058 -5.158 5.563 967 H6 DC 22 H6 C 22 -4.118 -6.853 7.057 968 H5' DC 23 H5' C 23 -0.940 -12.327 6.334 969 H5'' DC 23 H5'' C 23 0.082 -13.024 7.606 970 H4' DC 23 H4' C 23 0.898 -14.010 5.693 971 H3' DC 23 H3' C 23 2.721 -12.566 6.961 972 H2' DC 23 H2' C 23 2.380 -10.452 5.894 973 H2'' DC 23 H2'' C 23 3.671 -11.109 4.901 974 H1' DC 23 H1' C 23 2.204 -11.782 3.175 975 H41 DC 23 H41 C 23 -0.520 -5.800 3.035 976 H42 DC 23 H42 C 23 -0.422 -6.370 1.400 977 H5 DC 23 H5 C 23 0.015 -7.214 4.960 978 H6 DC 23 H6 C 23 0.788 -9.407 5.656 979 H5' DC 24 H5' C 24 3.659 -14.082 2.690 980 H5'' DC 24 H5'' C 24 4.801 -15.318 3.251 981 H4' DC 24 H4' C 24 5.213 -15.169 0.977 982 H3' DC 24 H3' C 24 7.333 -14.653 2.483 983 H2' DC 24 H2' C 24 7.080 -12.290 2.748 984 H2'' DC 24 H2'' C 24 8.148 -12.341 1.351 985 H1' DC 24 H1' C 24 6.396 -11.960 -0.189 986 H41 DC 24 H41 C 24 4.198 -6.815 3.293 987 H42 DC 24 H42 C 24 3.993 -6.439 1.595 988 H5 DC 24 H5 C 24 4.926 -9.013 4.073 989 H6 DC 24 H6 C 24 5.663 -11.226 3.366 990 H5' DA 25 H5' A 25 7.695 -13.905 -2.158 991 H5'' DA 25 H5'' A 25 8.919 -15.154 -2.448 992 H4' DA 25 H4' A 25 9.035 -13.772 -4.312 993 H3' DA 25 H3' A 25 11.331 -14.023 -3.021 994 H2' DA 25 H2' A 25 11.126 -12.205 -1.471 995 H2'' DA 25 H2'' A 25 12.017 -11.433 -2.775 996 H1' DA 25 H1' A 25 10.096 -10.374 -3.658 997 H8 DA 25 H8 A 25 9.617 -11.570 -0.002 998 H61 DA 25 H61 A 25 7.865 -7.358 1.709 999 H62 DA 25 H62 A 25 7.438 -5.842 0.949 1000 H2 DA 25 H2 A 25 8.235 -6.343 -3.446 1001 H5' DC 26 H5' C 26 10.824 -10.884 -6.302 1002 H5'' DC 26 H5'' C 26 11.965 -11.530 -7.497 1003 H4' DC 26 H4' C 26 11.573 -9.358 -8.208 1004 H3' DC 26 H3' C 26 14.123 -9.884 -7.713 1005 H2' DC 26 H2' C 26 14.221 -9.273 -5.401 1006 H2'' DC 26 H2'' C 26 14.735 -7.767 -6.151 1007 H1' DC 26 H1' C 26 12.607 -6.756 -5.924 1008 H41 DC 26 H41 C 26 12.093 -8.566 0.425 1009 H42 DC 26 H42 C 26 11.471 -6.945 0.275 1010 H5 DC 26 H5 C 26 12.877 -9.853 -1.506 1011 H6 DC 26 H6 C 26 13.114 -9.846 -3.936 1012 H5' DA 27 H5' A 27 12.996 -5.401 -8.808 1013 H5'' DA 27 H5'' A 27 14.051 -5.171 -10.218 1014 H4' DA 27 H4' A 27 13.570 -3.022 -9.400 1015 H3' DA 27 H3' A 27 16.137 -3.592 -9.716 1016 H2' DA 27 H2' A 27 16.614 -4.518 -7.561 1017 H2'' DA 27 H2'' A 27 17.080 -2.843 -7.305 1018 H1' DA 27 H1' A 27 15.063 -2.307 -6.168 1019 H8 DA 27 H8 A 27 15.774 -6.096 -6.384 1020 H61 DA 27 H61 A 27 14.871 -7.153 -1.738 1021 H62 DA 27 H62 A 27 14.277 -6.227 -0.376 1022 H2 DA 27 H2 A 27 13.548 -2.062 -1.914 1023 H5' DC 28 H5' C 28 14.941 0.162 -7.503 1024 H5'' DC 28 H5'' C 28 15.561 1.467 -8.532 1025 H4' DC 28 H4' C 28 15.225 2.485 -6.478 1026 H3' DC 28 H3' C 28 17.713 2.647 -7.363 1027 H2' DC 28 H2' C 28 18.610 0.646 -6.407 1028 H2'' DC 28 H2'' C 28 19.044 1.817 -5.170 1029 H1' DC 28 H1' C 28 17.231 1.214 -3.758 1030 H41 DC 28 H41 C 28 18.494 -5.250 -4.346 1031 H42 DC 28 H42 C 28 17.930 -4.989 -2.715 1032 H5 DC 28 H5 C 28 18.551 -3.504 -6.033 1033 H6 DC 28 H6 C 28 18.125 -1.135 -6.460 1034 H5' DA 29 H5' A 29 16.774 4.219 -3.063 1035 H5'' DA 29 H5'' A 29 17.305 5.908 -3.189 1036 H4' DA 29 H4' A 29 17.314 5.456 -0.907 1037 H3' DA 29 H3' A 29 19.638 6.301 -1.854 1038 H2' DA 29 H2' A 29 20.608 4.190 -2.457 1039 H2'' DA 29 H2'' A 29 21.273 4.411 -0.847 1040 H1' DA 29 H1' A 29 19.694 2.945 0.156 1041 H8 DA 29 H8 A 29 19.924 2.498 -3.684 1042 H61 DA 29 H61 A 29 20.506 -2.326 -3.659 1043 H62 DA 29 H62 A 29 20.480 -3.537 -2.397 1044 H2 DA 29 H2 A 29 19.680 -1.351 1.448 1045 H5' DA 30 H5' A 30 19.432 4.667 2.453 1046 H5'' DA 30 H5'' A 30 19.853 6.125 3.368 1047 H4' DA 30 H4' A 30 20.211 4.393 4.864 1048 H3' DA 30 H3' A 30 22.356 5.880 4.428 1049 H2' DA 30 H2' A 30 23.303 4.693 2.575 1050 H2'' DA 30 H2'' A 30 24.167 3.944 3.912 1051 H1' DA 30 H1' A 30 22.783 2.024 3.920 1052 H8 DA 30 H8 A 30 22.329 4.019 0.620 1053 H61 DA 30 H61 A 30 23.084 0.278 -2.393 1054 H62 DA 30 H62 A 30 23.395 -1.419 -2.153 1055 H2 DA 30 H2 A 30 23.411 -2.077 2.308 1056 H5' DG 31 H5' G 31 22.828 1.966 6.798 1057 H5'' DG 31 H5'' G 31 23.283 2.587 8.397 1058 H4' DG 31 H4' G 31 23.943 0.359 8.428 1059 H3' DG 31 H3' G 31 25.905 2.069 8.914 1060 H2' DG 31 H2' G 31 26.675 2.443 6.670 1061 H2'' DG 31 H2'' G 31 27.755 1.152 7.181 1062 H1' DG 31 H1' G 31 26.525 -0.527 6.051 1063 H8 DG 31 H8 G 31 25.735 3.044 4.852 1064 H1 DG 31 H1 G 31 26.651 -1.344 0.262 1065 H21 DG 31 H21 G 31 26.861 -3.578 2.908 1066 H22 DG 31 H22 G 31 26.912 -3.354 1.174 1067 H5' DC 32 H5' C 32 27.131 -2.309 8.083 1068 H5'' DC 32 H5'' C 32 27.729 -2.756 9.694 1069 H4' DC 32 H4' C 32 28.691 -4.322 8.274 1070 H3' DC 32 H3' C 32 30.436 -2.915 9.681 1071 HO3' DC 32 H3T C 32 30.965 -4.715 7.550 1072 H2' DC 32 H2' C 32 30.780 -1.087 8.172 1073 H2'' DC 32 H2'' C 32 32.107 -2.142 7.710 1074 H1' DC 32 H1' C 32 30.963 -2.978 5.799 1075 H41 DC 32 H41 C 32 29.149 3.068 3.805 1076 H42 DC 32 H42 C 32 29.335 2.088 2.375 1077 H5 DC 32 H5 C 32 29.389 2.156 6.058 1078 H6 DC 32 H6 C 32 29.778 0.130 7.353 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 -6.269 -1.296 -0.715 2 H2 MET 1 HT2 MET 1 -7.084 -0.882 -2.145 3 H3 MET 1 HT3 MET 1 -5.467 -0.423 -1.926 4 HA MET 1 HA MET 1 -4.677 -2.593 -2.110 5 HB2 MET 1 HB2 MET 1 -6.165 -4.523 -2.340 6 HB3 MET 1 HB1 MET 1 -6.430 -3.706 -0.809 7 HG2 MET 1 HG2 MET 1 -8.542 -3.172 -1.315 8 HG3 MET 1 HG1 MET 1 -8.150 -2.794 -2.990 9 HE1 MET 1 HE1 MET 1 -7.205 -6.129 -1.210 10 HE2 MET 1 HE2 MET 1 -8.597 -7.154 -1.545 11 HE3 MET 1 HE3 MET 1 -8.755 -5.786 -0.440 12 H VAL 2 HN VAL 2 -5.486 -4.282 -4.122 13 HA VAL 2 HA VAL 2 -5.133 -2.600 -6.386 14 HB VAL 2 HB VAL 2 -5.572 -4.844 -7.634 15 HG11 VAL 2 HG11 VAL 2 -3.191 -4.633 -5.817 16 HG12 VAL 2 HG12 VAL 2 -3.420 -3.622 -7.243 17 HG13 VAL 2 HG13 VAL 2 -3.277 -5.368 -7.417 18 HG21 VAL 2 HG21 VAL 2 -4.952 -5.904 -4.882 19 HG22 VAL 2 HG22 VAL 2 -5.251 -6.828 -6.354 20 HG23 VAL 2 HG23 VAL 2 -6.565 -5.926 -5.599 21 H GLN 3 HN GLN 3 -7.865 -4.641 -5.308 22 HA GLN 3 HA GLN 3 -9.575 -4.206 -7.438 23 HB2 GLN 3 HB2 GLN 3 -10.202 -4.568 -4.506 24 HB3 GLN 3 HB1 GLN 3 -11.441 -4.540 -5.754 25 HG2 GLN 3 HG2 GLN 3 -10.775 -6.555 -6.651 26 HG3 GLN 3 HG1 GLN 3 -9.148 -6.436 -5.987 27 HE21 GLN 3 HE21 GLN 3 -12.127 -5.916 -4.182 28 HE22 GLN 3 HE22 GLN 3 -11.943 -7.282 -3.136 29 H SER 4 HN SER 4 -8.797 -2.132 -4.758 30 HA SER 4 HA SER 4 -9.529 0.227 -6.066 31 HB2 SER 4 HB2 SER 4 -11.660 0.700 -5.356 32 HB3 SER 4 HB1 SER 4 -11.745 -1.028 -5.179 33 HG SER 4 HG SER 4 -10.799 0.544 -3.047 34 H CYS 5 HN CYS 5 -9.008 2.080 -4.762 35 HA CYS 5 HA CYS 5 -6.957 1.519 -2.852 36 HB2 CYS 5 HB2 CYS 5 -8.111 4.244 -3.342 37 HB3 CYS 5 HB1 CYS 5 -6.448 3.802 -2.965 38 H SER 6 HN SER 6 -6.934 2.888 -0.766 39 HA SER 6 HA SER 6 -9.100 2.014 0.845 40 HB2 SER 6 HB2 SER 6 -6.879 3.907 1.615 41 HB3 SER 6 HB1 SER 6 -7.839 2.892 2.692 42 HG SER 6 HG SER 6 -6.410 1.405 2.365 43 H ALA 7 HN ALA 7 -9.147 4.461 -1.233 44 HA ALA 7 HA ALA 7 -10.254 6.552 0.407 45 HB1 ALA 7 HB1 ALA 7 -8.998 7.121 -1.589 46 HB2 ALA 7 HB2 ALA 7 -10.661 7.687 -1.741 47 HB3 ALA 7 HB3 ALA 7 -10.143 6.234 -2.594 48 H TYR 8 HN TYR 8 -12.393 7.472 -1.006 49 HA TYR 8 HA TYR 8 -14.375 5.387 -0.447 50 HB2 TYR 8 HB2 TYR 8 -14.505 7.405 0.936 51 HB3 TYR 8 HB1 TYR 8 -14.660 8.396 -0.503 52 HD1 TYR 8 HD1 TYR 8 -16.463 5.241 -0.531 53 HD2 TYR 8 HD2 TYR 8 -16.680 9.346 0.583 54 HE1 TYR 8 HE1 TYR 8 -18.909 5.063 -0.380 55 HE2 TYR 8 HE2 TYR 8 -19.129 9.179 0.719 56 HH TYR 8 HH TYR 8 -20.773 6.151 0.631 57 H GLY 9 HN GLY 9 -14.174 4.399 -2.519 58 HA2 GLY 9 HA2 GLY 9 -15.620 4.089 -4.398 59 HA3 GLY 9 HA1 GLY 9 -15.775 5.831 -4.519 60 H CYS 10 HN CYS 10 -12.548 4.922 -4.021 61 HA CYS 10 HA CYS 10 -11.956 5.628 -6.752 62 HB2 CYS 10 HB2 CYS 10 -10.592 6.562 -4.938 63 HB3 CYS 10 HB1 CYS 10 -10.015 4.944 -4.549 64 H LYS 11 HN LYS 11 -13.021 3.687 -7.608 65 HA LYS 11 HA LYS 11 -11.616 1.169 -7.332 66 HB2 LYS 11 HB2 LYS 11 -13.764 1.875 -9.334 67 HB3 LYS 11 HB1 LYS 11 -13.293 0.271 -8.798 68 HG2 LYS 11 HG2 LYS 11 -14.067 0.987 -6.482 69 HG3 LYS 11 HG1 LYS 11 -14.815 2.368 -7.286 70 HD2 LYS 11 HD2 LYS 11 -16.585 1.032 -7.548 71 HD3 LYS 11 HD1 LYS 11 -15.645 0.257 -8.824 72 HE2 LYS 11 HE2 LYS 11 -14.755 -1.332 -7.161 73 HE3 LYS 11 HE1 LYS 11 -15.765 -0.580 -5.929 74 HZ1 LYS 11 HZ1 LYS 11 -16.695 -2.023 -8.346 75 HZ2 LYS 11 HZ2 LYS 11 -17.712 -1.189 -7.281 76 HZ3 LYS 11 HZ3 LYS 11 -16.839 -2.534 -6.734 77 H ASN 12 HN ASN 12 -9.872 3.067 -8.129 78 HA ASN 12 HA ASN 12 -9.569 2.972 -11.024 79 HB2 ASN 12 HB2 ASN 12 -8.079 4.399 -8.871 80 HB3 ASN 12 HB1 ASN 12 -7.577 4.450 -10.553 81 HD21 ASN 12 HD21 ASN 12 -8.223 6.803 -9.232 82 HD22 ASN 12 HD22 ASN 12 -9.712 7.421 -9.860 83 H ARG 13 HN ARG 13 -9.367 0.556 -10.022 84 HA ARG 13 HA ARG 13 -7.204 -0.749 -9.188 85 HB2 ARG 13 HB2 ARG 13 -9.371 -1.493 -10.629 86 HB3 ARG 13 HB1 ARG 13 -8.134 -1.711 -11.851 87 HG2 ARG 13 HG2 ARG 13 -8.333 -3.085 -9.178 88 HG3 ARG 13 HG1 ARG 13 -8.534 -3.803 -10.772 89 HD2 ARG 13 HD2 ARG 13 -6.128 -3.138 -11.230 90 HD3 ARG 13 HD1 ARG 13 -6.007 -2.770 -9.512 91 HE ARG 13 HE ARG 13 -7.022 -5.336 -9.670 92 HH11 ARG 13 HH11 ARG 13 -4.103 -3.729 -10.760 93 HH12 ARG 13 HH12 ARG 13 -3.092 -5.119 -10.536 94 HH21 ARG 13 HH21 ARG 13 -5.682 -7.174 -9.351 95 HH22 ARG 13 HH22 ARG 13 -3.993 -7.079 -9.747 96 H TYR 14 HN TYR 14 -5.068 -1.135 -9.850 97 HA TYR 14 HA TYR 14 -3.552 0.564 -11.271 98 HB2 TYR 14 HB2 TYR 14 -3.048 -1.839 -10.100 99 HB3 TYR 14 HB1 TYR 14 -2.779 -2.230 -11.793 100 HD1 TYR 14 HD1 TYR 14 -1.405 0.041 -12.936 101 HD2 TYR 14 HD2 TYR 14 -1.043 -1.571 -9.007 102 HE1 TYR 14 HE1 TYR 14 0.843 0.984 -12.761 103 HE2 TYR 14 HE2 TYR 14 1.222 -0.628 -8.836 104 HH TYR 14 HH TYR 14 2.995 0.180 -10.157 105 H ASP 15 HN ASP 15 -3.938 1.393 -13.143 106 HA ASP 15 HA ASP 15 -4.204 -0.328 -15.503 107 HB2 ASP 15 HB2 ASP 15 -6.394 0.457 -15.436 108 HB3 ASP 15 HB1 ASP 15 -5.937 1.980 -14.684 109 H LYS 16 HN LYS 16 -2.436 -0.062 -16.529 110 HA LYS 16 HA LYS 16 -0.517 1.890 -16.096 111 HB2 LYS 16 HB2 LYS 16 0.721 0.747 -17.627 112 HB3 LYS 16 HB1 LYS 16 -0.497 -0.464 -17.257 113 HG2 LYS 16 HG2 LYS 16 -1.494 1.149 -19.369 114 HG3 LYS 16 HG1 LYS 16 0.149 0.657 -19.776 115 HD2 LYS 16 HD2 LYS 16 -0.402 -1.661 -19.448 116 HD3 LYS 16 HD1 LYS 16 -2.004 -1.231 -18.848 117 HE2 LYS 16 HE2 LYS 16 -1.160 -0.372 -21.580 118 HE3 LYS 16 HE1 LYS 16 -1.694 -2.030 -21.315 119 HZ1 LYS 16 HZ1 LYS 16 -3.239 0.472 -20.988 120 HZ2 LYS 16 HZ2 LYS 16 -3.726 -0.969 -20.242 121 HZ3 LYS 16 HZ3 LYS 16 -3.604 -0.890 -21.925 122 H ASP 17 HN ASP 17 -3.300 2.008 -18.170 123 HA ASP 17 HA ASP 17 -2.371 4.014 -19.952 124 HB2 ASP 17 HB2 ASP 17 -4.928 2.733 -19.312 125 HB3 ASP 17 HB1 ASP 17 -5.084 4.401 -19.849 126 H LYS 18 HN LYS 18 -3.851 4.026 -16.814 127 HA LYS 18 HA LYS 18 -4.135 6.922 -16.811 128 HB2 LYS 18 HB2 LYS 18 -5.582 6.661 -15.093 129 HB3 LYS 18 HB1 LYS 18 -5.657 5.011 -15.685 130 HG2 LYS 18 HG2 LYS 18 -3.696 4.644 -13.987 131 HG3 LYS 18 HG1 LYS 18 -4.363 6.094 -13.239 132 HD2 LYS 18 HD2 LYS 18 -5.487 3.361 -13.430 133 HD3 LYS 18 HD1 LYS 18 -5.602 4.535 -12.125 134 HE2 LYS 18 HE2 LYS 18 -7.728 4.752 -12.798 135 HE3 LYS 18 HE1 LYS 18 -7.055 5.748 -14.088 136 HZ1 LYS 18 HZ1 LYS 18 -7.676 2.846 -14.249 137 HZ2 LYS 18 HZ2 LYS 18 -6.939 3.743 -15.483 138 HZ3 LYS 18 HZ3 LYS 18 -8.525 4.098 -15.004 139 HA PRO 19 HA PRO 19 -0.159 7.435 -14.960 140 HB2 PRO 19 HB2 PRO 19 -0.297 10.025 -14.282 141 HB3 PRO 19 HB1 PRO 19 -0.303 9.510 -15.982 142 HG2 PRO 19 HG2 PRO 19 -2.592 10.353 -14.265 143 HG3 PRO 19 HG1 PRO 19 -2.240 10.750 -15.957 144 HD2 PRO 19 HD2 PRO 19 -4.008 8.800 -15.168 145 HD3 PRO 19 HD1 PRO 19 -3.182 8.833 -16.738 146 H VAL 20 HN VAL 20 -0.907 5.930 -13.158 147 HA VAL 20 HA VAL 20 -0.529 7.360 -10.664 148 HB VAL 20 HB VAL 20 -2.296 6.459 -9.422 149 HG11 VAL 20 HG11 VAL 20 -3.320 8.219 -10.448 150 HG12 VAL 20 HG12 VAL 20 -4.409 6.897 -10.871 151 HG13 VAL 20 HG13 VAL 20 -3.234 7.484 -12.050 152 HG21 VAL 20 HG21 VAL 20 -2.824 4.591 -11.709 153 HG22 VAL 20 HG22 VAL 20 -3.943 4.824 -10.365 154 HG23 VAL 20 HG23 VAL 20 -2.320 4.202 -10.061 155 H SER 21 HN SER 21 0.377 6.116 -9.050 156 HA SER 21 HA SER 21 1.260 3.422 -9.847 157 HB2 SER 21 HB2 SER 21 3.252 4.069 -8.242 158 HB3 SER 21 HB1 SER 21 3.264 4.626 -9.916 159 HG SER 21 HG SER 21 3.365 6.555 -9.111 160 H PHE 22 HN PHE 22 1.678 1.997 -7.902 161 HA PHE 22 HA PHE 22 -0.204 2.745 -5.781 162 HB2 PHE 22 HB2 PHE 22 0.313 0.204 -7.190 163 HB3 PHE 22 HB1 PHE 22 0.084 0.056 -5.452 164 HD1 PHE 22 HD1 PHE 22 -1.513 0.909 -8.645 165 HD2 PHE 22 HD2 PHE 22 -2.061 0.579 -4.435 166 HE1 PHE 22 HE1 PHE 22 -3.966 1.009 -8.958 167 HE2 PHE 22 HE2 PHE 22 -4.498 0.684 -4.744 168 HZ PHE 22 HZ PHE 22 -5.448 0.900 -7.002 169 H HIS 23 HN HIS 23 0.258 1.949 -3.659 170 HA HIS 23 HA HIS 23 3.030 1.387 -2.910 171 HB2 HIS 23 HB2 HIS 23 1.952 3.539 -1.265 172 HB3 HIS 23 HB1 HIS 23 3.538 3.404 -1.995 173 HD1 HIS 23 HD1 HIS 23 0.065 4.475 -2.819 174 HD2 HIS 23 HD2 HIS 23 3.944 5.098 -4.124 175 HE1 HIS 23 HE1 HIS 23 -0.127 6.246 -4.543 176 HE2 HIS 23 HE2 HIS 23 2.214 6.444 -5.510 177 H LYS 24 HN LYS 24 3.048 1.318 -0.374 178 HA LYS 24 HA LYS 24 0.467 0.142 0.417 179 HB2 LYS 24 HB2 LYS 24 3.289 -0.559 1.006 180 HB3 LYS 24 HB1 LYS 24 2.171 -0.692 2.360 181 HG2 LYS 24 HG2 LYS 24 0.913 -2.345 1.328 182 HG3 LYS 24 HG1 LYS 24 1.502 -1.925 -0.281 183 HD2 LYS 24 HD2 LYS 24 2.444 -4.041 0.546 184 HD3 LYS 24 HD1 LYS 24 3.683 -2.824 0.242 185 HE2 LYS 24 HE2 LYS 24 3.568 -2.275 2.708 186 HE3 LYS 24 HE1 LYS 24 2.575 -3.721 2.897 187 HZ1 LYS 24 HZ1 LYS 24 4.606 -4.736 1.548 188 HZ2 LYS 24 HZ2 LYS 24 4.585 -4.649 3.239 189 HZ3 LYS 24 HZ3 LYS 24 5.423 -3.484 2.346 190 H PHE 25 HN PHE 25 0.034 0.509 2.899 191 HA PHE 25 HA PHE 25 -0.076 3.256 3.468 192 HB2 PHE 25 HB2 PHE 25 -0.604 0.768 4.952 193 HB3 PHE 25 HB1 PHE 25 -0.089 2.097 5.966 194 HD1 PHE 25 HD2 PHE 25 -2.556 1.391 3.272 195 HD2 PHE 25 HD1 PHE 25 -1.686 3.523 6.830 196 HE1 PHE 25 HE2 PHE 25 -4.855 2.275 3.294 197 HE2 PHE 25 HE1 PHE 25 -3.987 4.393 6.880 198 HZ PHE 25 HZ PHE 25 -5.573 3.772 5.110 199 HA PRO 26 HA PRO 26 3.912 4.223 5.212 200 HB2 PRO 26 HB2 PRO 26 3.222 5.976 7.166 201 HB3 PRO 26 HB1 PRO 26 3.121 6.403 5.446 202 HG2 PRO 26 HG2 PRO 26 0.960 5.459 7.271 203 HG3 PRO 26 HG1 PRO 26 0.949 6.828 6.141 204 HD2 PRO 26 HD2 PRO 26 -0.179 4.513 5.483 205 HD3 PRO 26 HD1 PRO 26 0.716 5.464 4.288 206 H LEU 27 HN LEU 27 3.860 1.913 6.006 207 HA LEU 27 HA LEU 27 2.943 1.322 8.618 208 HB2 LEU 27 HB2 LEU 27 4.703 -0.045 6.623 209 HB3 LEU 27 HB1 LEU 27 4.551 -0.686 8.250 210 HG LEU 27 HG LEU 27 2.302 -0.277 6.267 211 HD11 LEU 27 HD11 LEU 27 3.489 -2.804 7.424 212 HD12 LEU 27 HD12 LEU 27 3.753 -2.204 5.788 213 HD13 LEU 27 HD13 LEU 27 2.140 -2.705 6.294 214 HD21 LEU 27 HD21 LEU 27 2.355 -0.835 9.183 215 HD22 LEU 27 HD22 LEU 27 1.157 -1.680 8.200 216 HD23 LEU 27 HD23 LEU 27 1.197 0.086 8.223 217 H THR 28 HN THR 28 5.765 2.736 7.349 218 HA THR 28 HA THR 28 7.227 2.361 9.825 219 HB THR 28 HB THR 28 9.134 3.272 8.622 220 HG1 THR 28 HG1 THR 28 8.216 3.503 6.137 221 HG21 THR 28 HG21 THR 28 9.210 1.631 6.732 222 HG22 THR 28 HG22 THR 28 7.497 1.298 7.028 223 HG23 THR 28 HG23 THR 28 8.700 0.931 8.271 224 H ARG 29 HN ARG 29 4.811 4.202 9.114 225 HA ARG 29 HA ARG 29 5.686 6.447 10.754 226 HB2 ARG 29 HB2 ARG 29 5.141 6.598 7.901 227 HB3 ARG 29 HB1 ARG 29 4.000 7.574 8.802 228 HG2 ARG 29 HG2 ARG 29 6.919 7.844 9.337 229 HG3 ARG 29 HG1 ARG 29 6.195 8.609 7.922 230 HD2 ARG 29 HD2 ARG 29 5.280 10.219 9.142 231 HD3 ARG 29 HD1 ARG 29 4.626 9.065 10.300 232 HE ARG 29 HE ARG 29 6.418 9.433 11.666 233 HH11 ARG 29 HH11 ARG 29 7.074 10.855 8.533 234 HH12 ARG 29 HH12 ARG 29 8.421 11.783 9.100 235 HH21 ARG 29 HH21 ARG 29 8.204 10.634 12.403 236 HH22 ARG 29 HH22 ARG 29 9.065 11.664 11.302 237 HA PRO 30 HA PRO 30 1.642 4.077 11.604 238 HB2 PRO 30 HB2 PRO 30 2.070 4.518 14.341 239 HB3 PRO 30 HB1 PRO 30 2.314 3.009 13.446 240 HG2 PRO 30 HG2 PRO 30 4.286 5.060 14.272 241 HG3 PRO 30 HG1 PRO 30 4.485 3.308 14.085 242 HD2 PRO 30 HD2 PRO 30 5.484 5.005 12.289 243 HD3 PRO 30 HD1 PRO 30 4.785 3.449 11.801 244 H SER 31 HN SER 31 2.639 6.814 13.771 245 HA SER 31 HA SER 31 0.050 7.640 14.366 246 HB2 SER 31 HB2 SER 31 2.393 9.525 13.990 247 HB3 SER 31 HB1 SER 31 0.989 9.752 15.032 248 HG SER 31 HG SER 31 1.708 8.022 16.299 249 H LEU 32 HN LEU 32 2.139 8.608 11.693 250 HA LEU 32 HA LEU 32 0.267 10.362 10.499 251 HB2 LEU 32 HB2 LEU 32 2.618 10.562 10.018 252 HB3 LEU 32 HB1 LEU 32 2.702 8.905 9.467 253 HG LEU 32 HG LEU 32 2.780 10.835 7.756 254 HD11 LEU 32 HD11 LEU 32 1.924 9.448 6.078 255 HD12 LEU 32 HD12 LEU 32 0.847 8.621 7.204 256 HD13 LEU 32 HD13 LEU 32 2.594 8.391 7.321 257 HD21 LEU 32 HD21 LEU 32 -0.149 10.718 8.391 258 HD22 LEU 32 HD22 LEU 32 0.503 11.383 6.889 259 HD23 LEU 32 HD23 LEU 32 0.927 12.122 8.436 260 H CYS 33 HN CYS 33 0.899 6.928 10.341 261 HA CYS 33 HA CYS 33 -0.584 6.250 8.024 262 HB2 CYS 33 HB2 CYS 33 1.012 4.766 9.276 263 HB3 CYS 33 HB1 CYS 33 -0.159 4.688 10.595 264 HG CYS 33 HG CYS 33 0.161 2.459 8.506 265 H LYS 34 HN LYS 34 -1.301 6.815 11.332 266 HA LYS 34 HA LYS 34 -3.902 5.752 11.406 267 HB2 LYS 34 HB2 LYS 34 -2.847 5.815 13.431 268 HB3 LYS 34 HB1 LYS 34 -2.142 7.395 13.131 269 HG2 LYS 34 HG2 LYS 34 -4.807 7.969 13.212 270 HG3 LYS 34 HG1 LYS 34 -4.648 6.690 14.426 271 HD2 LYS 34 HD2 LYS 34 -2.475 8.155 15.025 272 HD3 LYS 34 HD1 LYS 34 -3.533 9.429 14.398 273 HE2 LYS 34 HE2 LYS 34 -4.012 9.374 16.692 274 HE3 LYS 34 HE1 LYS 34 -5.324 8.461 15.951 275 HZ1 LYS 34 HZ1 LYS 34 -4.451 7.351 17.917 276 HZ2 LYS 34 HZ2 LYS 34 -2.915 7.280 17.219 277 HZ3 LYS 34 HZ3 LYS 34 -4.193 6.415 16.534 278 H GLU 35 HN GLU 35 -2.687 8.986 10.473 279 HA GLU 35 HA GLU 35 -5.332 10.096 10.867 280 HB2 GLU 35 HB2 GLU 35 -4.352 11.906 9.206 281 HB3 GLU 35 HB1 GLU 35 -4.008 11.920 10.917 282 HG2 GLU 35 HG2 GLU 35 -1.944 10.528 10.307 283 HG3 GLU 35 HG1 GLU 35 -2.253 11.090 8.666 284 H TRP 36 HN TRP 36 -3.767 8.235 8.456 285 HA TRP 36 HA TRP 36 -5.293 9.086 6.235 286 HB2 TRP 36 HB2 TRP 36 -4.048 6.395 6.855 287 HB3 TRP 36 HB1 TRP 36 -4.784 6.804 5.306 288 HD1 TRP 36 HD1 TRP 36 -2.628 9.339 7.177 289 HE1 TRP 36 HE1 TRP 36 -0.507 9.816 5.816 290 HE3 TRP 36 HE3 TRP 36 -3.180 5.751 3.558 291 HZ2 TRP 36 HZ2 TRP 36 0.785 8.785 3.527 292 HZ3 TRP 36 HZ3 TRP 36 -1.460 5.585 1.809 293 HH2 TRP 36 HH2 TRP 36 0.487 7.062 1.805 294 H GLU 37 HN GLU 37 -5.906 7.069 8.999 295 HA GLU 37 HA GLU 37 -8.267 5.828 8.033 296 HB2 GLU 37 HB2 GLU 37 -7.825 6.530 10.929 297 HB3 GLU 37 HB1 GLU 37 -8.647 5.130 10.256 298 HG2 GLU 37 HG2 GLU 37 -5.757 5.411 9.682 299 HG3 GLU 37 HG1 GLU 37 -6.238 5.048 11.333 300 H ALA 38 HN ALA 38 -7.505 8.885 9.520 301 HA ALA 38 HA ALA 38 -10.090 9.735 10.206 302 HB1 ALA 38 HB1 ALA 38 -9.056 12.009 10.242 303 HB2 ALA 38 HB2 ALA 38 -7.561 11.262 9.673 304 HB3 ALA 38 HB3 ALA 38 -8.240 10.801 11.234 305 H ALA 39 HN ALA 39 -8.400 9.547 7.213 306 HA ALA 39 HA ALA 39 -10.139 11.470 5.886 307 HB1 ALA 39 HB1 ALA 39 -8.042 9.642 4.706 308 HB2 ALA 39 HB2 ALA 39 -7.754 11.292 5.257 309 HB3 ALA 39 HB3 ALA 39 -8.835 10.995 3.895 310 H VAL 40 HN VAL 40 -9.878 8.086 6.503 311 HA VAL 40 HA VAL 40 -11.831 7.353 4.450 312 HB VAL 40 HB VAL 40 -10.931 5.456 6.563 313 HG11 VAL 40 HG11 VAL 40 -11.412 5.165 3.607 314 HG12 VAL 40 HG12 VAL 40 -12.560 4.771 4.886 315 HG13 VAL 40 HG13 VAL 40 -11.064 3.853 4.731 316 HG21 VAL 40 HG21 VAL 40 -8.879 4.903 5.387 317 HG22 VAL 40 HG22 VAL 40 -8.851 6.602 5.866 318 HG23 VAL 40 HG23 VAL 40 -9.202 6.162 4.193 319 H ARG 41 HN ARG 41 -12.870 9.148 6.020 320 HA ARG 41 HA ARG 41 -14.093 8.440 8.427 321 HB2 ARG 41 HB2 ARG 41 -15.212 10.486 8.312 322 HB3 ARG 41 HB1 ARG 41 -13.737 10.749 7.397 323 HG2 ARG 41 HG2 ARG 41 -16.195 9.911 5.934 324 HG3 ARG 41 HG1 ARG 41 -16.061 11.576 6.502 325 HD2 ARG 41 HD2 ARG 41 -13.723 11.485 5.345 326 HD3 ARG 41 HD1 ARG 41 -14.416 10.119 4.464 327 HE ARG 41 HE ARG 41 -16.298 12.031 4.186 328 HH11 ARG 41 HH11 ARG 41 -12.836 12.040 3.634 329 HH12 ARG 41 HH12 ARG 41 -12.917 13.242 2.384 330 HH21 ARG 41 HH21 ARG 41 -16.408 13.589 2.545 331 HH22 ARG 41 HH22 ARG 41 -14.954 14.118 1.758 332 H ARG 42 HN ARG 42 -14.710 6.650 5.922 333 HA ARG 42 HA ARG 42 -17.628 6.777 6.102 334 HB2 ARG 42 HB2 ARG 42 -15.930 6.356 3.936 335 HB3 ARG 42 HB1 ARG 42 -16.614 4.770 4.277 336 HG2 ARG 42 HG2 ARG 42 -17.956 5.962 2.649 337 HG3 ARG 42 HG1 ARG 42 -18.863 5.707 4.140 338 HD2 ARG 42 HD2 ARG 42 -17.980 8.073 4.760 339 HD3 ARG 42 HD1 ARG 42 -17.702 8.225 3.029 340 HE ARG 42 HE ARG 42 -20.135 7.719 2.775 341 HH11 ARG 42 HH11 ARG 42 -18.903 9.074 5.753 342 HH12 ARG 42 HH12 ARG 42 -20.403 9.815 6.193 343 HH21 ARG 42 HH21 ARG 42 -22.130 8.680 3.362 344 HH22 ARG 42 HH22 ARG 42 -22.245 9.585 4.837 345 H LYS 43 HN LYS 43 -18.876 4.922 6.545 346 HA LYS 43 HA LYS 43 -17.925 3.342 8.670 347 HB2 LYS 43 HB2 LYS 43 -20.059 2.430 8.776 348 HB3 LYS 43 HB1 LYS 43 -20.376 3.958 7.971 349 HG2 LYS 43 HG2 LYS 43 -19.901 2.286 5.860 350 HG3 LYS 43 HG1 LYS 43 -20.695 1.217 7.011 351 HD2 LYS 43 HD2 LYS 43 -21.951 3.852 6.691 352 HD3 LYS 43 HD1 LYS 43 -21.982 2.828 5.255 353 HE2 LYS 43 HE2 LYS 43 -23.981 2.406 6.501 354 HE3 LYS 43 HE1 LYS 43 -22.933 0.999 6.668 355 HZ1 LYS 43 HZ1 LYS 43 -23.927 1.604 8.777 356 HZ2 LYS 43 HZ2 LYS 43 -23.271 3.158 8.678 357 HZ3 LYS 43 HZ3 LYS 43 -22.249 1.819 8.839 358 H ASN 44 HN ASN 44 -18.166 2.849 5.238 359 HA ASN 44 HA ASN 44 -17.320 0.095 5.426 360 HB2 ASN 44 HB2 ASN 44 -17.372 0.329 2.843 361 HB3 ASN 44 HB1 ASN 44 -18.889 0.309 3.729 362 HD21 ASN 44 HD21 ASN 44 -18.138 1.406 1.079 363 HD22 ASN 44 HD22 ASN 44 -18.653 3.057 1.127 364 H PHE 45 HN PHE 45 -15.438 1.035 6.585 365 HA PHE 45 HA PHE 45 -13.354 2.378 5.248 366 HB2 PHE 45 HB2 PHE 45 -13.623 2.127 7.748 367 HB3 PHE 45 HB1 PHE 45 -13.146 0.446 7.581 368 HD1 PHE 45 HD1 PHE 45 -10.838 -0.051 6.676 369 HD2 PHE 45 HD2 PHE 45 -12.009 3.811 8.012 370 HE1 PHE 45 HE1 PHE 45 -8.478 0.563 6.936 371 HE2 PHE 45 HE2 PHE 45 -9.659 4.446 8.260 372 HZ PHE 45 HZ PHE 45 -7.881 2.823 7.728 373 H LYS 46 HN LYS 46 -12.093 1.675 3.705 374 HA LYS 46 HA LYS 46 -12.221 -0.940 2.644 375 HB2 LYS 46 HB2 LYS 46 -11.167 1.615 1.943 376 HB3 LYS 46 HB1 LYS 46 -9.924 0.395 1.672 377 HG2 LYS 46 HG2 LYS 46 -10.943 -0.299 -0.170 378 HG3 LYS 46 HG1 LYS 46 -12.434 -0.577 0.718 379 HD2 LYS 46 HD2 LYS 46 -12.488 2.120 0.493 380 HD3 LYS 46 HD1 LYS 46 -11.675 1.673 -1.010 381 HE2 LYS 46 HE2 LYS 46 -14.381 0.798 -0.023 382 HE3 LYS 46 HE1 LYS 46 -13.999 1.721 -1.477 383 HZ1 LYS 46 HZ1 LYS 46 -14.499 -0.571 -2.014 384 HZ2 LYS 46 HZ2 LYS 46 -13.278 -1.117 -0.982 385 HZ3 LYS 46 HZ3 LYS 46 -12.876 -0.239 -2.369 386 HA PRO 47 HA PRO 47 -9.006 -3.370 4.383 387 HB2 PRO 47 HB2 PRO 47 -7.101 -2.865 2.149 388 HB3 PRO 47 HB1 PRO 47 -7.640 -4.399 2.862 389 HG2 PRO 47 HG2 PRO 47 -8.603 -3.629 0.531 390 HG3 PRO 47 HG1 PRO 47 -9.661 -4.383 1.740 391 HD2 PRO 47 HD2 PRO 47 -9.415 -1.506 0.988 392 HD3 PRO 47 HD1 PRO 47 -10.868 -2.424 1.396 393 H THR 48 HN THR 48 -6.973 -3.416 5.407 394 HA THR 48 HA THR 48 -6.389 -0.877 6.570 395 HB THR 48 HB THR 48 -5.153 -2.096 8.187 396 HG1 THR 48 HG1 THR 48 -4.595 -4.299 7.831 397 HG21 THR 48 HG21 THR 48 -6.798 -3.534 8.989 398 HG22 THR 48 HG22 THR 48 -7.268 -4.035 7.361 399 HG23 THR 48 HG23 THR 48 -7.697 -2.425 7.951 400 H LYS 49 HN LYS 49 -3.906 -0.966 7.332 401 HA LYS 49 HA LYS 49 -2.469 0.229 5.304 402 HB2 LYS 49 HB2 LYS 49 -0.485 -0.342 6.959 403 HB3 LYS 49 HB1 LYS 49 -1.687 0.879 7.331 404 HG2 LYS 49 HG2 LYS 49 -2.617 -1.637 8.284 405 HG3 LYS 49 HG1 LYS 49 -0.964 -1.377 8.845 406 HD2 LYS 49 HD2 LYS 49 -2.270 -0.361 10.498 407 HD3 LYS 49 HD1 LYS 49 -1.763 0.979 9.469 408 HE2 LYS 49 HE2 LYS 49 -3.930 0.775 8.251 409 HE3 LYS 49 HE1 LYS 49 -4.427 -0.416 9.455 410 HZ1 LYS 49 HZ1 LYS 49 -4.997 2.127 9.699 411 HZ2 LYS 49 HZ2 LYS 49 -3.456 2.172 10.416 412 HZ3 LYS 49 HZ3 LYS 49 -4.656 1.163 11.052 413 H TYR 50 HN TYR 50 -2.965 -3.111 5.660 414 HA TYR 50 HA TYR 50 -0.373 -3.837 4.631 415 HB2 TYR 50 HB2 TYR 50 -2.923 -5.345 5.027 416 HB3 TYR 50 HB1 TYR 50 -1.531 -6.063 4.243 417 HD1 TYR 50 HD1 TYR 50 0.639 -6.159 5.567 418 HD2 TYR 50 HD2 TYR 50 -3.139 -5.368 7.341 419 HE1 TYR 50 HE1 TYR 50 1.509 -6.931 7.725 420 HE2 TYR 50 HE2 TYR 50 -2.274 -6.122 9.525 421 HH TYR 50 HH TYR 50 -0.261 -7.911 10.137 422 H SER 51 HN SER 51 -3.541 -3.021 3.381 423 HA SER 51 HA SER 51 -2.988 -4.060 0.770 424 HB2 SER 51 HB2 SER 51 -4.988 -2.632 0.093 425 HB3 SER 51 HB1 SER 51 -5.281 -3.942 1.233 426 HG SER 51 HG SER 51 -5.276 -2.422 2.898 427 H SER 52 HN SER 52 -3.183 -2.404 -1.147 428 HA SER 52 HA SER 52 -1.149 -0.395 -0.586 429 HB2 SER 52 HB2 SER 52 -1.043 -0.732 -3.259 430 HB3 SER 52 HB1 SER 52 -0.123 -1.692 -2.103 431 HG SER 52 HG SER 52 -1.147 -3.336 -3.065 432 H ILE 53 HN ILE 53 -1.231 1.645 -1.517 433 HA ILE 53 HA ILE 53 -3.924 2.563 -2.311 434 HB ILE 53 HB ILE 53 -1.802 4.065 -0.729 435 HG12 ILE 53 HG12 ILE 53 -3.698 4.070 1.013 436 HG13 ILE 53 HG11 ILE 53 -4.390 2.758 0.074 437 HG21 ILE 53 HG21 ILE 53 -2.953 5.654 -2.057 438 HG22 ILE 53 HG22 ILE 53 -3.601 5.767 -0.412 439 HG23 ILE 53 HG23 ILE 53 -4.521 4.933 -1.666 440 HD11 ILE 53 HD11 ILE 53 -1.902 1.808 0.391 441 HD12 ILE 53 HD12 ILE 53 -3.213 1.507 1.535 442 HD13 ILE 53 HD13 ILE 53 -2.039 2.783 1.856 443 H CYS 54 HN CYS 54 -3.785 4.647 -3.735 444 HA CYS 54 HA CYS 54 -1.445 4.369 -5.474 445 HB2 CYS 54 HB2 CYS 54 -2.809 4.789 -7.387 446 HB3 CYS 54 HB1 CYS 54 -3.558 3.522 -6.435 447 H SER 55 HN SER 55 -0.873 6.217 -6.782 448 HA SER 55 HA SER 55 0.088 8.301 -5.320 449 HB2 SER 55 HB2 SER 55 0.408 9.409 -7.593 450 HB3 SER 55 HB1 SER 55 1.065 7.783 -7.389 451 HG SER 55 HG SER 55 -0.702 8.625 -9.182 452 H GLU 56 HN GLU 56 -2.658 8.681 -7.543 453 HA GLU 56 HA GLU 56 -3.225 11.304 -7.412 454 HB2 GLU 56 HB2 GLU 56 -5.734 10.380 -7.448 455 HB3 GLU 56 HB1 GLU 56 -4.639 10.232 -8.821 456 HG2 GLU 56 HG2 GLU 56 -4.358 8.010 -8.543 457 HG3 GLU 56 HG1 GLU 56 -4.540 8.086 -6.802 458 H HIS 57 HN HIS 57 -3.513 9.251 -4.671 459 HA HIS 57 HA HIS 57 -5.515 10.904 -3.387 460 HB2 HIS 57 HB2 HIS 57 -3.936 8.542 -2.386 461 HB3 HIS 57 HB1 HIS 57 -5.204 9.356 -1.468 462 HD1 HIS 57 HD1 HIS 57 -7.553 9.557 -3.115 463 HD2 HIS 57 HD2 HIS 57 -4.902 6.404 -3.658 464 HE1 HIS 57 HE1 HIS 57 -8.833 7.762 -4.351 465 H PHE 58 HN PHE 58 -2.071 10.995 -3.562 466 HA PHE 58 HA PHE 58 -2.151 12.964 -1.381 467 HB2 PHE 58 HB2 PHE 58 0.488 11.891 -1.463 468 HB3 PHE 58 HB1 PHE 58 -0.676 11.837 -0.131 469 HD1 PHE 58 HD1 PHE 58 0.668 10.093 -3.023 470 HD2 PHE 58 HD2 PHE 58 -1.852 9.809 0.380 471 HE1 PHE 58 HE1 PHE 58 0.601 7.669 -3.292 472 HE2 PHE 58 HE2 PHE 58 -1.932 7.365 0.121 473 HZ PHE 58 HZ PHE 58 -0.703 6.288 -1.720 474 H THR 59 HN THR 59 -0.140 14.316 -1.410 475 HA THR 59 HA THR 59 0.153 15.429 -4.045 476 HB THR 59 HB THR 59 1.832 16.896 -2.607 477 HG1 THR 59 HG1 THR 59 1.140 16.908 -0.406 478 HG21 THR 59 HG21 THR 59 -1.169 16.900 -2.596 479 HG22 THR 59 HG22 THR 59 -0.065 17.917 -3.527 480 HG23 THR 59 HG23 THR 59 -0.246 18.171 -1.792 481 HA PRO 60 HA PRO 60 3.770 13.353 -5.464 482 HB2 PRO 60 HB2 PRO 60 5.127 15.732 -6.198 483 HB3 PRO 60 HB1 PRO 60 4.091 14.749 -7.243 484 HG2 PRO 60 HG2 PRO 60 3.420 17.209 -5.713 485 HG3 PRO 60 HG1 PRO 60 2.853 16.673 -7.310 486 HD2 PRO 60 HD2 PRO 60 1.262 16.481 -5.209 487 HD3 PRO 60 HD1 PRO 60 1.352 15.151 -6.386 488 H ASP 61 HN ASP 61 4.057 16.235 -3.502 489 HA ASP 61 HA ASP 61 6.701 15.997 -2.627 490 HB2 ASP 61 HB2 ASP 61 4.404 16.959 -0.921 491 HB3 ASP 61 HB1 ASP 61 6.093 17.433 -0.798 492 H SER 62 HN SER 62 3.729 14.625 -1.351 493 HA SER 62 HA SER 62 5.147 13.240 0.768 494 HB2 SER 62 HB2 SER 62 2.749 14.443 0.749 495 HB3 SER 62 HB1 SER 62 2.252 12.792 0.366 496 HG SER 62 HG SER 62 2.596 12.286 2.367 497 H PHE 63 HN PHE 63 4.573 12.625 -2.380 498 HA PHE 63 HA PHE 63 3.316 10.322 -2.809 499 HB2 PHE 63 HB2 PHE 63 5.737 11.422 -4.048 500 HB3 PHE 63 HB1 PHE 63 5.461 9.713 -4.293 501 HD1 PHE 63 HD2 PHE 63 2.279 10.253 -4.150 502 HD2 PHE 63 HD1 PHE 63 5.529 11.710 -6.480 503 HE1 PHE 63 HE2 PHE 63 0.731 10.752 -5.969 504 HE2 PHE 63 HE1 PHE 63 3.975 12.213 -8.320 505 HZ PHE 63 HZ PHE 63 1.573 11.739 -8.066 506 H LYS 64 HN LYS 64 6.741 10.225 -1.678 507 HA LYS 64 HA LYS 64 6.326 7.888 -0.147 508 HB2 LYS 64 HB2 LYS 64 7.498 6.227 -1.561 509 HB3 LYS 64 HB1 LYS 64 5.990 6.779 -2.270 510 HG2 LYS 64 HG2 LYS 64 7.163 8.200 -3.811 511 HG3 LYS 64 HG1 LYS 64 8.705 7.835 -3.036 512 HD2 LYS 64 HD2 LYS 64 8.641 6.480 -4.963 513 HD3 LYS 64 HD1 LYS 64 8.247 5.400 -3.622 514 HE2 LYS 64 HE2 LYS 64 5.794 6.013 -4.188 515 HE3 LYS 64 HE1 LYS 64 6.452 6.531 -5.734 516 HZ1 LYS 64 HZ1 LYS 64 7.580 4.151 -5.545 517 HZ2 LYS 64 HZ2 LYS 64 6.060 4.382 -6.248 518 HZ3 LYS 64 HZ3 LYS 64 6.179 3.845 -4.643 519 H ARG 65 HN ARG 65 8.998 6.771 -1.175 520 HA ARG 65 HA ARG 65 10.660 7.920 0.753 521 HB2 ARG 65 HB2 ARG 65 12.510 6.688 -0.586 522 HB3 ARG 65 HB1 ARG 65 11.259 5.751 0.213 523 HG2 ARG 65 HG2 ARG 65 10.099 5.966 -2.162 524 HG3 ARG 65 HG1 ARG 65 11.774 6.172 -2.677 525 HD2 ARG 65 HD2 ARG 65 11.120 3.923 -0.828 526 HD3 ARG 65 HD1 ARG 65 10.663 3.774 -2.522 527 HE ARG 65 HE ARG 65 13.235 4.489 -2.711 528 HH11 ARG 65 HH11 ARG 65 11.640 2.018 -0.776 529 HH12 ARG 65 HH12 ARG 65 13.021 0.967 -0.736 530 HH21 ARG 65 HH21 ARG 65 15.056 3.084 -2.687 531 HH22 ARG 65 HH22 ARG 65 14.972 1.579 -1.833 532 H GLU 66 HN GLU 66 9.798 9.151 -2.231 533 HA GLU 66 HA GLU 66 12.247 10.618 -2.709 534 HB2 GLU 66 HB2 GLU 66 9.563 10.670 -4.132 535 HB3 GLU 66 HB1 GLU 66 10.916 11.708 -4.558 536 HG2 GLU 66 HG2 GLU 66 12.267 9.745 -5.066 537 HG3 GLU 66 HG1 GLU 66 10.910 8.702 -4.628 538 H SER 67 HN SER 67 10.086 10.877 -0.401 539 HA SER 67 HA SER 67 9.228 13.587 -0.535 540 HB2 SER 67 HB2 SER 67 7.928 12.043 0.719 541 HB3 SER 67 HB1 SER 67 9.315 11.505 1.649 542 HG SER 67 HG SER 67 8.254 12.844 2.977 543 H ASN 68 HN ASN 68 10.432 13.193 2.551 544 HA ASN 68 HA ASN 68 12.561 15.127 2.007 545 HB2 ASN 68 HB2 ASN 68 10.773 14.591 4.299 546 HB3 ASN 68 HB1 ASN 68 12.410 15.092 4.711 547 HD21 ASN 68 HD21 ASN 68 11.814 17.061 5.510 548 HD22 ASN 68 HD22 ASN 68 11.227 18.345 4.514 549 H ASN 69 HN ASN 69 12.269 12.681 4.588 550 HA ASN 69 HA ASN 69 15.130 12.243 4.413 551 HB2 ASN 69 HB2 ASN 69 14.162 12.423 6.634 552 HB3 ASN 69 HB1 ASN 69 13.042 11.113 6.288 553 HD21 ASN 69 HD21 ASN 69 13.632 9.577 7.675 554 HD22 ASN 69 HD22 ASN 69 15.217 8.904 7.797 555 H LYS 70 HN LYS 70 12.466 9.889 4.759 556 HA LYS 70 HA LYS 70 13.470 8.468 2.436 557 HB2 LYS 70 HB2 LYS 70 14.669 7.693 4.603 558 HB3 LYS 70 HB1 LYS 70 13.150 6.899 4.981 559 HG2 LYS 70 HG2 LYS 70 14.757 5.377 3.932 560 HG3 LYS 70 HG1 LYS 70 13.299 5.569 2.962 561 HD2 LYS 70 HD2 LYS 70 15.213 5.594 1.508 562 HD3 LYS 70 HD1 LYS 70 14.517 7.210 1.549 563 HE2 LYS 70 HE2 LYS 70 16.235 7.877 3.192 564 HE3 LYS 70 HE1 LYS 70 16.945 6.268 3.079 565 HZ1 LYS 70 HZ1 LYS 70 18.139 7.812 1.691 566 HZ2 LYS 70 HZ2 LYS 70 16.727 8.247 0.874 567 HZ3 LYS 70 HZ3 LYS 70 17.349 6.684 0.711 568 H LEU 71 HN LEU 71 10.912 9.484 4.329 569 HA LEU 71 HA LEU 71 9.081 7.879 2.735 570 HB2 LEU 71 HB2 LEU 71 9.523 7.408 5.493 571 HB3 LEU 71 HB1 LEU 71 7.951 8.167 5.348 572 HG LEU 71 HG LEU 71 8.739 5.440 4.780 573 HD11 LEU 71 HD11 LEU 71 6.321 5.098 4.906 574 HD12 LEU 71 HD12 LEU 71 6.081 6.844 4.900 575 HD13 LEU 71 HD13 LEU 71 6.920 6.076 6.246 576 HD21 LEU 71 HD21 LEU 71 8.827 6.010 2.463 577 HD22 LEU 71 HD22 LEU 71 7.336 6.947 2.579 578 HD23 LEU 71 HD23 LEU 71 7.291 5.194 2.759 579 H LEU 72 HN LEU 72 6.701 8.696 3.453 580 HA LEU 72 HA LEU 72 6.455 11.265 2.391 581 HB2 LEU 72 HB2 LEU 72 4.247 10.537 4.140 582 HB3 LEU 72 HB1 LEU 72 4.248 10.894 2.421 583 HG LEU 72 HG LEU 72 5.373 8.391 2.462 584 HD11 LEU 72 HD11 LEU 72 4.284 7.010 3.981 585 HD12 LEU 72 HD12 LEU 72 3.091 8.242 4.389 586 HD13 LEU 72 HD13 LEU 72 4.756 8.406 4.952 587 HD21 LEU 72 HD21 LEU 72 3.594 9.226 0.979 588 HD22 LEU 72 HD22 LEU 72 2.435 9.043 2.297 589 HD23 LEU 72 HD23 LEU 72 3.237 7.623 1.624 590 H LYS 73 HN LYS 73 5.320 13.091 3.405 591 HA LYS 73 HA LYS 73 6.690 13.851 5.819 592 HB2 LYS 73 HB2 LYS 73 4.822 15.838 5.374 593 HB3 LYS 73 HB1 LYS 73 6.492 15.862 4.857 594 HG2 LYS 73 HG2 LYS 73 4.296 14.741 3.143 595 HG3 LYS 73 HG1 LYS 73 4.714 16.452 3.150 596 HD2 LYS 73 HD2 LYS 73 6.541 14.164 2.424 597 HD3 LYS 73 HD1 LYS 73 5.804 15.312 1.307 598 HE2 LYS 73 HE2 LYS 73 7.672 16.136 3.522 599 HE3 LYS 73 HE1 LYS 73 8.225 15.712 1.907 600 HZ1 LYS 73 HZ1 LYS 73 7.093 17.529 0.979 601 HZ2 LYS 73 HZ2 LYS 73 7.870 18.136 2.351 602 HZ3 LYS 73 HZ3 LYS 73 6.208 17.828 2.393 603 H GLU 74 HN GLU 74 5.988 13.526 7.747 604 HA GLU 74 HA GLU 74 3.685 12.149 8.436 605 HB2 GLU 74 HB2 GLU 74 4.154 12.802 10.744 606 HB3 GLU 74 HB1 GLU 74 5.602 12.288 9.894 607 HG2 GLU 74 HG2 GLU 74 5.077 15.157 9.778 608 HG3 GLU 74 HG1 GLU 74 5.409 14.522 11.392 609 H ASN 75 HN ASN 75 4.067 15.455 7.738 610 HA ASN 75 HA ASN 75 1.591 16.246 9.053 611 HB2 ASN 75 HB2 ASN 75 3.843 17.652 7.737 612 HB3 ASN 75 HB1 ASN 75 2.266 18.420 7.638 613 HD21 ASN 75 HD21 ASN 75 3.389 16.423 10.279 614 HD22 ASN 75 HD22 ASN 75 3.440 17.682 11.458 615 H ALA 76 HN ALA 76 2.130 14.537 6.439 616 HA ALA 76 HA ALA 76 -0.041 15.825 4.924 617 HB1 ALA 76 HB1 ALA 76 2.184 14.226 3.661 618 HB2 ALA 76 HB2 ALA 76 2.215 15.981 3.822 619 HB3 ALA 76 HB3 ALA 76 0.962 15.208 2.851 620 H VAL 77 HN VAL 77 -1.771 14.699 4.620 621 HA VAL 77 HA VAL 77 -1.646 11.777 4.552 622 HB VAL 77 HB VAL 77 -2.398 12.025 6.732 623 HG11 VAL 77 HG11 VAL 77 -3.828 13.663 7.622 624 HG12 VAL 77 HG12 VAL 77 -4.318 14.215 6.014 625 HG13 VAL 77 HG13 VAL 77 -2.675 14.512 6.585 626 HG21 VAL 77 HG21 VAL 77 -4.884 11.951 5.030 627 HG22 VAL 77 HG22 VAL 77 -4.839 11.544 6.746 628 HG23 VAL 77 HG23 VAL 77 -3.929 10.578 5.585 629 HA PRO 78 HA PRO 78 -3.721 12.164 0.685 630 HB2 PRO 78 HB2 PRO 78 -5.386 9.917 1.063 631 HB3 PRO 78 HB1 PRO 78 -3.775 9.921 0.324 632 HG2 PRO 78 HG2 PRO 78 -4.569 9.251 3.092 633 HG3 PRO 78 HG1 PRO 78 -3.288 8.560 2.075 634 HD2 PRO 78 HD2 PRO 78 -2.688 10.234 4.042 635 HD3 PRO 78 HD1 PRO 78 -1.826 10.317 2.494 636 H THR 79 HN THR 79 -4.975 13.964 0.810 637 HA THR 79 HA THR 79 -7.637 13.718 2.012 638 HB THR 79 HB THR 79 -6.027 15.666 2.587 639 HG1 THR 79 HG1 THR 79 -8.719 16.118 1.764 640 HG21 THR 79 HG21 THR 79 -7.122 16.723 -0.016 641 HG22 THR 79 HG22 THR 79 -5.457 16.199 0.235 642 HG23 THR 79 HG23 THR 79 -6.090 17.583 1.126 643 H ILE 80 HN ILE 80 -5.995 13.651 -0.907 644 HA ILE 80 HA ILE 80 -7.964 14.795 -2.634 645 HB ILE 80 HB ILE 80 -5.987 12.803 -3.649 646 HG12 ILE 80 HG12 ILE 80 -5.036 14.597 -1.875 647 HG13 ILE 80 HG11 ILE 80 -4.111 14.037 -3.256 648 HG21 ILE 80 HG21 ILE 80 -5.873 14.326 -5.539 649 HG22 ILE 80 HG22 ILE 80 -6.920 15.468 -4.701 650 HG23 ILE 80 HG23 ILE 80 -7.545 13.892 -5.185 651 HD11 ILE 80 HD11 ILE 80 -5.688 16.595 -3.085 652 HD12 ILE 80 HD12 ILE 80 -4.833 16.020 -4.514 653 HD13 ILE 80 HD13 ILE 80 -3.931 16.430 -3.055 654 H PHE 81 HN PHE 81 -8.290 12.217 -0.775 655 HA PHE 81 HA PHE 81 -8.950 9.972 -2.173 656 HB2 PHE 81 HB2 PHE 81 -10.126 11.199 0.285 657 HB3 PHE 81 HB1 PHE 81 -10.867 9.765 -0.404 658 HD1 PHE 81 HD2 PHE 81 -7.532 9.397 -1.201 659 HD2 PHE 81 HD1 PHE 81 -10.130 9.313 2.169 660 HE1 PHE 81 HE2 PHE 81 -5.934 7.969 -0.009 661 HE2 PHE 81 HE1 PHE 81 -8.527 7.881 3.368 662 HZ PHE 81 HZ PHE 81 -6.419 7.211 2.276 663 H LEU 82 HN LEU 82 -11.367 12.474 -1.340 664 HA LEU 82 HA LEU 82 -12.603 12.383 -3.896 665 HB2 LEU 82 HB2 LEU 82 -13.399 10.390 -2.018 666 HB3 LEU 82 HB1 LEU 82 -14.709 11.541 -2.150 667 HG LEU 82 HG LEU 82 -14.214 9.355 -3.813 668 HD11 LEU 82 HD11 LEU 82 -16.377 10.386 -3.244 669 HD12 LEU 82 HD12 LEU 82 -16.194 10.088 -4.973 670 HD13 LEU 82 HD13 LEU 82 -16.007 11.719 -4.336 671 HD21 LEU 82 HD21 LEU 82 -13.785 11.883 -5.406 672 HD22 LEU 82 HD22 LEU 82 -13.858 10.232 -6.015 673 HD23 LEU 82 HD23 LEU 82 -12.509 10.734 -4.997 674 H GLU 83 HN GLU 83 -14.602 13.732 -3.898 675 HA GLU 83 HA GLU 83 -14.218 16.061 -2.310 676 HB2 GLU 83 HB2 GLU 83 -14.991 16.220 -4.620 677 HB3 GLU 83 HB1 GLU 83 -16.431 15.293 -4.225 678 HG2 GLU 83 HG2 GLU 83 -17.472 17.201 -3.846 679 HG3 GLU 83 HG1 GLU 83 -16.423 17.445 -2.450 680 H LEU 84 HN LEU 84 -17.147 14.062 -2.713 681 HA LEU 84 HA LEU 84 -17.598 14.226 0.172 682 HB2 LEU 84 HB2 LEU 84 -18.896 15.938 -1.461 683 HB3 LEU 84 HB1 LEU 84 -19.988 14.568 -1.545 684 HG LEU 84 HG LEU 84 -20.727 16.143 0.146 685 HD11 LEU 84 HD11 LEU 84 -20.717 14.625 2.145 686 HD12 LEU 84 HD12 LEU 84 -19.659 13.549 1.230 687 HD13 LEU 84 HD13 LEU 84 -21.287 13.899 0.645 688 HD21 LEU 84 HD21 LEU 84 -19.395 16.613 2.126 689 HD22 LEU 84 HD22 LEU 84 -18.567 17.151 0.666 690 HD23 LEU 84 HD23 LEU 84 -18.063 15.667 1.472 691 H VAL 85 HN VAL 85 -19.458 13.067 -2.650 692 HA VAL 85 HA VAL 85 -19.012 10.325 -1.914 693 HB VAL 85 HB VAL 85 -20.770 10.700 -0.374 694 HG11 VAL 85 HG11 VAL 85 -22.431 11.938 -2.558 695 HG12 VAL 85 HG12 VAL 85 -21.529 12.860 -1.356 696 HG13 VAL 85 HG13 VAL 85 -22.845 11.800 -0.849 697 HG21 VAL 85 HG21 VAL 85 -22.627 9.335 -1.232 698 HG22 VAL 85 HG22 VAL 85 -21.050 8.644 -1.615 699 HG23 VAL 85 HG23 VAL 85 -21.967 9.492 -2.860 700 HA PRO 86 HA PRO 86 -19.338 10.020 -6.333 701 HB2 PRO 86 HB2 PRO 86 -19.956 7.173 -5.832 702 HB3 PRO 86 HB1 PRO 86 -18.605 7.884 -6.730 703 HG2 PRO 86 HG2 PRO 86 -18.260 6.726 -4.352 704 HG3 PRO 86 HG1 PRO 86 -17.302 8.125 -4.872 705 HD2 PRO 86 HD2 PRO 86 -19.578 8.008 -2.953 706 HD3 PRO 86 HD1 PRO 86 -18.120 9.014 -2.916 707 H ARG 87 HN ARG 87 -20.922 9.473 -7.962 708 HA ARG 87 HA ARG 87 -23.631 9.151 -6.866 709 HB2 ARG 87 HB2 ARG 87 -24.315 10.531 -8.943 710 HB3 ARG 87 HB1 ARG 87 -23.644 11.374 -7.555 711 HG2 ARG 87 HG2 ARG 87 -22.181 12.318 -8.920 712 HG3 ARG 87 HG1 ARG 87 -21.448 10.731 -9.164 713 HD2 ARG 87 HD2 ARG 87 -21.976 11.694 -11.310 714 HD3 ARG 87 HD1 ARG 87 -23.052 10.332 -11.011 715 HE ARG 87 HE ARG 87 -23.834 13.163 -10.710 716 HH11 ARG 87 HH11 ARG 87 -24.590 9.840 -11.535 717 HH12 ARG 87 HH12 ARG 87 -26.238 10.186 -11.942 718 HH21 ARG 87 HH21 ARG 87 -25.997 13.614 -11.261 719 HH22 ARG 87 HH22 ARG 87 -27.038 12.328 -11.777 720 H5' DG 1 H5' G 1 31.290 -0.555 -8.228 721 H5'' DG 1 H5'' G 1 30.214 -1.045 -9.551 722 H4' DG 1 H4' G 1 30.949 -2.998 -8.396 723 H3' DG 1 H3' G 1 28.367 -2.760 -8.936 724 H2' DG 1 H2' G 1 27.662 -1.574 -6.974 725 H2'' DG 1 H2'' G 1 27.340 -3.231 -6.489 726 H1' DG 1 H1' G 1 29.310 -3.378 -5.172 727 H8 DG 1 H8 G 1 28.646 0.314 -6.130 728 H1 DG 1 H1 G 1 29.391 -0.872 0.130 729 H21 DG 1 H21 G 1 29.960 -4.153 -0.856 730 H22 DG 1 H22 G 1 29.826 -3.011 0.459 731 HO5' DG 1 H5T G 1 28.597 -0.066 -8.608 732 H5' DC 2 H5' C 2 29.406 -6.148 -5.915 733 H5'' DC 2 H5'' C 2 28.891 -7.591 -6.807 734 H4' DC 2 H4' C 2 28.830 -8.235 -4.571 735 H3' DC 2 H3' C 2 26.536 -8.518 -5.871 736 H2' DC 2 H2' C 2 25.568 -6.373 -5.454 737 H2'' DC 2 H2'' C 2 24.871 -7.302 -4.134 738 H1' DC 2 H1' C 2 26.413 -6.463 -2.536 739 H41 DC 2 H41 C 2 25.646 -0.209 -4.600 740 H42 DC 2 H42 C 2 25.765 -0.163 -2.861 741 H5 DC 2 H5 C 2 25.852 -2.265 -5.892 742 H6 DC 2 H6 C 2 26.271 -4.665 -5.766 743 H5' DT 3 H5' T 3 26.504 -9.099 -1.353 744 H5'' DT 3 H5'' T 3 26.026 -10.796 -1.154 745 H4' DT 3 H4' T 3 25.570 -9.819 0.907 746 H3' DT 3 H3' T 3 23.483 -10.980 -0.238 747 H2' DT 3 H2' T 3 22.636 -9.127 -1.500 748 H2'' DT 3 H2'' T 3 21.671 -8.997 -0.037 749 H1' DT 3 H1' T 3 23.017 -7.266 0.869 750 H3 DT 3 H3 T 3 23.063 -3.426 -1.377 751 H71 DT 3 H71 T 3 23.526 -7.329 -5.047 752 H72 DT 3 H72 T 3 21.947 -6.509 -5.101 753 H73 DT 3 H73 T 3 23.435 -5.605 -5.471 754 H6 DT 3 H6 T 3 23.349 -7.997 -2.720 755 H5' DT 4 H5' T 4 22.771 -8.376 3.494 756 H5'' DT 4 H5'' T 4 22.141 -9.580 4.635 757 H4' DT 4 H4' T 4 21.485 -7.535 5.525 758 H3' DT 4 H3' T 4 19.488 -9.212 5.059 759 H2' DT 4 H2' T 4 18.966 -8.591 2.802 760 H2'' DT 4 H2'' T 4 17.824 -7.596 3.691 761 H1' DT 4 H1' T 4 19.165 -5.647 3.516 762 H3 DT 4 H3 T 4 19.843 -3.990 -0.547 763 H71 DT 4 H71 T 4 19.029 -8.838 -1.631 764 H72 DT 4 H72 T 4 20.658 -9.239 -1.038 765 H73 DT 4 H73 T 4 20.462 -8.144 -2.428 766 H6 DT 4 H6 T 4 19.934 -8.422 1.213 767 H5' DG 5 H5' G 5 18.477 -4.802 6.434 768 H5'' DG 5 H5'' G 5 17.540 -5.168 7.895 769 H4' DG 5 H4' G 5 16.898 -3.009 7.326 770 H3' DG 5 H3' G 5 14.890 -4.733 7.459 771 H2' DG 5 H2' G 5 14.873 -5.511 5.196 772 H2'' DG 5 H2'' G 5 13.684 -4.217 5.102 773 H1' DG 5 H1' G 5 15.209 -2.683 4.134 774 H8 DG 5 H8 G 5 16.517 -6.318 3.972 775 H1 DG 5 H1 G 5 16.598 -3.043 -1.542 776 H21 DG 5 H21 G 5 15.534 -0.362 0.385 777 H22 DG 5 H22 G 5 15.975 -0.948 -1.200 778 H5' DT 6 H5' T 6 14.030 -0.546 5.744 779 H5'' DT 6 H5'' T 6 12.844 0.094 6.899 780 H4' DT 6 H4' T 6 12.548 1.383 4.982 781 H3' DT 6 H3' T 6 10.373 0.136 5.832 782 H2' DT 6 H2' T 6 10.611 -1.925 4.628 783 H2'' DT 6 H2'' T 6 9.550 -1.027 3.563 784 H1' DT 6 H1' T 6 11.337 -0.404 2.101 785 H3 DT 6 H3 T 6 13.366 -3.708 -0.098 786 H71 DT 6 H71 T 6 13.409 -6.422 3.693 787 H72 DT 6 H72 T 6 12.611 -5.435 4.942 788 H73 DT 6 H73 T 6 11.635 -6.285 3.721 789 H6 DT 6 H6 T 6 11.897 -3.205 4.413 790 H5' DG 7 H5' G 7 10.385 2.438 1.809 791 H5'' DG 7 H5'' G 7 9.025 3.560 2.015 792 H4' DG 7 H4' G 7 9.341 3.481 -0.285 793 H3' DG 7 H3' G 7 6.910 2.783 0.505 794 H2' DG 7 H2' G 7 7.258 0.425 0.809 795 H2'' DG 7 H2'' G 7 6.624 0.465 -0.832 796 H1' DG 7 H1' G 7 8.779 0.257 -1.817 797 H8 DG 7 H8 G 7 9.146 -0.514 1.959 798 H1 DG 7 H1 G 7 10.702 -5.249 -2.086 799 H21 DG 7 H21 G 7 10.016 -2.934 -4.564 800 H22 DG 7 H22 G 7 10.537 -4.557 -4.158 801 H5' DT 8 H5' T 8 7.988 1.384 -3.752 802 H5'' DT 8 H5'' T 8 6.931 2.466 -4.680 803 H4' DT 8 H4' T 8 7.315 0.709 -6.139 804 H3' DT 8 H3' T 8 4.755 1.085 -5.564 805 H2' DT 8 H2' T 8 4.583 -0.341 -3.633 806 H2'' DT 8 H2'' T 8 4.038 -1.423 -4.904 807 H1' DT 8 H1' T 8 6.149 -2.504 -5.078 808 H3 DT 8 H3 T 8 7.284 -5.001 -1.637 809 H71 DT 8 H71 T 8 6.696 -1.006 1.128 810 H72 DT 8 H72 T 8 5.207 -0.436 0.338 811 H73 DT 8 H73 T 8 5.200 -1.960 1.257 812 H6 DT 8 H6 T 8 5.682 -0.515 -1.963 813 H5' DG 9 H5' G 9 5.130 -3.690 -7.551 814 H5'' DG 9 H5'' G 9 4.376 -2.909 -8.954 815 H4' DG 9 H4' G 9 3.437 -4.998 -9.028 816 H3' DG 9 H3' G 9 1.633 -3.102 -8.591 817 H2' DG 9 H2' G 9 1.649 -3.060 -6.201 818 H2'' DG 9 H2'' G 9 0.324 -4.179 -6.491 819 H1' DG 9 H1' G 9 1.658 -6.093 -6.100 820 H8 DG 9 H8 G 9 2.418 -2.836 -4.398 821 H1 DG 9 H1 G 9 4.287 -8.038 -1.130 822 H21 DG 9 H21 G 9 3.847 -9.703 -4.129 823 H22 DG 9 H22 G 9 4.322 -9.815 -2.453 824 H5' DG 10 H5' G 10 0.591 -7.424 -8.181 825 H5'' DG 10 H5'' G 10 -0.430 -7.551 -9.623 826 H4' DG 10 H4' G 10 -0.846 -9.528 -8.534 827 H3' DG 10 H3' G 10 -3.028 -8.053 -8.810 828 H2' DG 10 H2' G 10 -2.938 -6.797 -6.766 829 H2'' DG 10 H2'' G 10 -3.961 -8.142 -6.267 830 H1' DG 10 H1' G 10 -2.217 -9.297 -5.226 831 H8 DG 10 H8 G 10 -1.672 -5.493 -5.578 832 H1 DG 10 H1 G 10 0.070 -8.224 -0.029 833 H21 DG 10 H21 G 10 -0.249 -11.180 -1.794 834 H22 DG 10 H22 G 10 0.169 -10.432 -0.268 835 H5' DG 11 H5' G 11 -3.048 -11.410 -5.647 836 H5'' DG 11 H5'' G 11 -3.572 -12.385 -7.035 837 H4' DG 11 H4' G 11 -3.920 -13.835 -5.300 838 H3' DG 11 H3' G 11 -6.173 -13.151 -6.509 839 H2' DG 11 H2' G 11 -6.783 -11.253 -5.203 840 H2'' DG 11 H2'' G 11 -7.667 -12.509 -4.349 841 H1' DG 11 H1' G 11 -6.052 -12.692 -2.627 842 H8 DG 11 H8 G 11 -6.001 -9.393 -4.605 843 H1 DG 11 H1 G 11 -4.999 -8.891 1.726 844 H21 DG 11 H21 G 11 -4.717 -12.329 1.632 845 H22 DG 11 H22 G 11 -4.652 -10.869 2.600 846 H5' DC 12 H5' C 12 -6.437 -15.735 -2.646 847 H5'' DC 12 H5'' C 12 -7.047 -17.205 -3.432 848 H4' DC 12 H4' C 12 -7.547 -17.510 -1.184 849 H3' DC 12 H3' C 12 -9.653 -17.600 -2.792 850 H2' DC 12 H2' C 12 -10.276 -15.305 -2.783 851 H2'' DC 12 H2'' C 12 -11.295 -15.900 -1.480 852 H1' DC 12 H1' C 12 -9.860 -15.085 0.216 853 H41 DC 12 H41 C 12 -9.386 -9.168 -2.698 854 H42 DC 12 H42 C 12 -9.297 -8.919 -0.974 855 H5 DC 12 H5 C 12 -9.406 -11.401 -3.689 856 H6 DC 12 H6 C 12 -9.372 -13.785 -3.210 857 H5' DA 13 H5' A 13 -10.410 -18.424 1.914 858 H5'' DA 13 H5'' A 13 -11.592 -19.745 1.859 859 H4' DA 13 H4' A 13 -11.770 -18.488 3.926 860 H3' DA 13 H3' A 13 -13.941 -19.307 2.650 861 H2' DA 13 H2' A 13 -14.261 -17.454 1.166 862 H2'' DA 13 H2'' A 13 -15.296 -16.978 2.504 863 H1' DA 13 H1' A 13 -13.704 -15.470 3.393 864 H8 DA 13 H8 A 13 -12.967 -16.423 -0.297 865 H61 DA 13 H61 A 13 -12.311 -11.871 -1.907 866 H62 DA 13 H62 A 13 -12.259 -10.314 -1.118 867 H2 DA 13 H2 A 13 -12.885 -11.097 3.268 868 H5' DG 14 H5' G 14 -14.696 -16.504 6.643 869 H5'' DG 14 H5'' G 14 -15.880 -17.587 7.401 870 H4' DG 14 H4' G 14 -16.247 -15.360 8.190 871 H3' DG 14 H3' G 14 -18.333 -16.785 7.391 872 H2' DG 14 H2' G 14 -18.341 -16.217 5.067 873 H2'' DG 14 H2'' G 14 -19.469 -15.025 5.698 874 H1' DG 14 H1' G 14 -17.858 -13.282 5.688 875 H8 DG 14 H8 G 14 -16.871 -16.330 3.543 876 H1 DG 14 H1 G 14 -16.073 -10.591 0.791 877 H21 DG 14 H21 G 14 -16.952 -9.328 3.907 878 H22 DG 14 H22 G 14 -16.475 -8.980 2.264 879 H5' DC 15 H5' C 15 -19.477 -12.195 8.907 880 H5'' DC 15 H5'' C 15 -20.993 -12.578 9.742 881 H4' DC 15 H4' C 15 -21.036 -10.306 8.942 882 H3' DC 15 H3' C 15 -23.134 -11.904 8.633 883 H2' DC 15 H2' C 15 -22.645 -12.858 6.537 884 H2'' DC 15 H2'' C 15 -23.621 -11.499 6.010 885 H1' DC 15 H1' C 15 -21.747 -10.198 5.391 886 H41 DC 15 H41 C 15 -19.439 -15.316 1.973 887 H42 DC 15 H42 C 15 -19.094 -13.879 1.046 888 H5 DC 15 H5 C 15 -20.316 -15.248 4.239 889 H6 DC 15 H6 C 15 -21.151 -13.783 6.003 890 H5' DG 16 H5' G 16 -25.443 -7.237 8.432 891 H5'' DG 16 H5'' G 16 -27.014 -7.771 7.829 892 H4' DG 16 H4' G 16 -26.274 -5.485 7.113 893 H3' DG 16 H3' G 16 -27.790 -7.133 5.680 894 H2' DG 16 H2' G 16 -26.296 -8.293 4.429 895 H2'' DG 16 H2'' G 16 -26.561 -6.957 3.315 896 H1' DG 16 H1' G 16 -24.499 -5.952 3.852 897 H8 DG 16 H8 G 16 -23.788 -8.836 6.245 898 H1 DG 16 H1 G 16 -22.530 -10.183 0.116 899 H21 DG 16 H21 G 16 -23.621 -6.971 -0.537 900 H22 DG 16 H22 G 16 -22.972 -8.460 -1.171 901 H5' DC 17 H5' C 17 -24.454 -13.343 -6.722 902 H5'' DC 17 H5'' C 17 -23.089 -13.996 -7.645 903 H4' DC 17 H4' C 17 -23.116 -11.546 -7.590 904 H3' DC 17 H3' C 17 -20.844 -12.904 -7.472 905 H2' DC 17 H2' C 17 -20.705 -13.260 -5.110 906 H2'' DC 17 H2'' C 17 -19.745 -11.800 -5.279 907 H1' DC 17 H1' C 17 -21.509 -10.395 -4.531 908 H41 DC 17 H41 C 17 -22.593 -14.464 0.547 909 H42 DC 17 H42 C 17 -22.852 -12.835 1.120 910 H5 DC 17 H5 C 17 -22.200 -14.969 -1.793 911 H6 DC 17 H6 C 17 -21.885 -14.011 -4.011 912 H5' DG 18 H5' G 18 -20.756 -8.353 -6.751 913 H5'' DG 18 H5'' G 18 -19.505 -7.676 -7.811 914 H4' DG 18 H4' G 18 -19.874 -6.167 -5.997 915 H3' DG 18 H3' G 18 -17.381 -6.794 -6.650 916 H2' DG 18 H2' G 18 -17.075 -8.726 -5.273 917 H2'' DG 18 H2'' G 18 -16.424 -7.472 -4.223 918 H1' DG 18 H1' G 18 -18.388 -7.339 -2.913 919 H8 DG 18 H8 G 18 -18.135 -10.554 -5.023 920 H1 DG 18 H1 G 18 -19.782 -11.355 1.128 921 H21 DG 18 H21 G 18 -19.904 -7.889 1.222 922 H22 DG 18 H22 G 18 -20.081 -9.383 2.110 923 H5' DC 19 H5' C 19 -18.084 -4.589 -2.776 924 H5'' DC 19 H5'' C 19 -17.288 -3.015 -2.971 925 H4' DC 19 H4' C 19 -17.526 -3.300 -0.666 926 H3' DC 19 H3' C 19 -15.053 -2.851 -1.502 927 H2' DC 19 H2' C 19 -14.336 -5.110 -1.879 928 H2'' DC 19 H2'' C 19 -13.774 -4.861 -0.230 929 H1' DC 19 H1' C 19 -15.590 -6.019 0.730 930 H41 DC 19 H41 C 19 -15.123 -11.105 -3.494 931 H42 DC 19 H42 C 19 -15.510 -11.740 -1.912 932 H5 DC 19 H5 C 19 -14.930 -8.700 -3.919 933 H6 DC 19 H6 C 19 -15.130 -6.479 -2.917 934 H5' DT 20 H5' T 20 -15.475 -3.789 3.210 935 H5'' DT 20 H5'' T 20 -14.648 -2.351 3.840 936 H4' DT 20 H4' T 20 -14.552 -4.111 5.462 937 H3' DT 20 H3' T 20 -12.348 -2.741 4.959 938 H2' DT 20 H2' T 20 -11.488 -4.039 3.124 939 H2'' DT 20 H2'' T 20 -10.642 -4.781 4.476 940 H1' DT 20 H1' T 20 -12.107 -6.635 4.568 941 H3 DT 20 H3 T 20 -12.425 -9.305 1.028 942 H71 DT 20 H71 T 20 -12.612 -5.415 -1.777 943 H72 DT 20 H72 T 20 -10.860 -5.553 -1.503 944 H73 DT 20 H73 T 20 -11.779 -4.233 -0.742 945 H6 DT 20 H6 T 20 -12.128 -4.570 1.528 946 H5' DG 21 H5' G 21 -11.377 -6.818 7.821 947 H5'' DG 21 H5'' G 21 -10.810 -5.751 9.121 948 H4' DG 21 H4' G 21 -9.601 -7.731 9.392 949 H3' DG 21 H3' G 21 -8.121 -5.559 9.093 950 H2' DG 21 H2' G 21 -7.897 -5.540 6.711 951 H2'' DG 21 H2'' G 21 -6.438 -6.411 7.163 952 H1' DG 21 H1' G 21 -7.366 -8.526 6.630 953 H8 DG 21 H8 G 21 -8.728 -5.385 5.059 954 H1 DG 21 H1 G 21 -9.134 -10.570 1.320 955 H21 DG 21 H21 G 21 -8.404 -12.332 4.206 956 H22 DG 21 H22 G 21 -8.779 -12.405 2.500 957 H5' DC 22 H5' C 22 -6.132 -9.535 8.837 958 H5'' DC 22 H5'' C 22 -5.066 -9.603 10.254 959 H4' DC 22 H4' C 22 -4.251 -11.267 8.855 960 H3' DC 22 H3' C 22 -2.487 -9.387 9.487 961 H2' DC 22 H2' C 22 -2.853 -7.860 7.696 962 H2'' DC 22 H2'' C 22 -1.529 -8.807 7.032 963 H1' DC 22 H1' C 22 -2.958 -10.125 5.681 964 H41 DC 22 H41 C 22 -5.637 -4.606 3.181 965 H42 DC 22 H42 C 22 -5.640 -5.857 1.968 966 H5 DC 22 H5 C 22 -5.122 -5.194 5.591 967 H6 DC 22 H6 C 22 -4.219 -6.953 7.032 968 H5' DC 23 H5' C 23 -1.250 -12.441 6.026 969 H5'' DC 23 H5'' C 23 -0.328 -13.230 7.318 970 H4' DC 23 H4' C 23 0.557 -14.196 5.441 971 H3' DC 23 H3' C 23 2.368 -12.806 6.788 972 H2' DC 23 H2' C 23 2.115 -10.676 5.732 973 H2'' DC 23 H2'' C 23 3.424 -11.353 4.781 974 H1' DC 23 H1' C 23 1.997 -11.973 2.992 975 H41 DC 23 H41 C 23 -0.606 -5.948 2.820 976 H42 DC 23 H42 C 23 -0.513 -6.519 1.181 977 H5 DC 23 H5 C 23 -0.111 -7.359 4.736 978 H6 DC 23 H6 C 23 0.608 -9.565 5.448 979 H5' DC 24 H5' C 24 3.391 -14.368 2.606 980 H5'' DC 24 H5'' C 24 4.509 -15.626 3.170 981 H4' DC 24 H4' C 24 4.942 -15.496 0.901 982 H3' DC 24 H3' C 24 7.047 -14.984 2.432 983 H2' DC 24 H2' C 24 6.812 -12.622 2.666 984 H2'' DC 24 H2'' C 24 7.906 -12.697 1.291 985 H1' DC 24 H1' C 24 6.171 -12.323 -0.286 986 H41 DC 24 H41 C 24 4.063 -7.088 3.111 987 H42 DC 24 H42 C 24 3.823 -6.747 1.407 988 H5 DC 24 H5 C 24 4.800 -9.267 3.918 989 H6 DC 24 H6 C 24 5.462 -11.512 3.248 990 H5' DA 25 H5' A 25 7.308 -14.204 -2.023 991 H5'' DA 25 H5'' A 25 8.457 -15.472 -2.491 992 H4' DA 25 H4' A 25 8.430 -14.040 -4.312 993 H3' DA 25 H3' A 25 10.830 -14.354 -3.237 994 H2' DA 25 H2' A 25 10.784 -12.570 -1.630 995 H2'' DA 25 H2'' A 25 11.572 -11.775 -2.988 996 H1' DA 25 H1' A 25 9.594 -10.689 -3.692 997 H8 DA 25 H8 A 25 9.363 -11.886 0.003 998 H61 DA 25 H61 A 25 7.826 -7.611 1.804 999 H62 DA 25 H62 A 25 7.377 -6.095 1.058 1000 H2 DA 25 H2 A 25 7.846 -6.645 -3.370 1001 H5' DC 26 H5' C 26 10.129 -11.139 -6.419 1002 H5'' DC 26 H5'' C 26 11.154 -11.784 -7.714 1003 H4' DC 26 H4' C 26 10.796 -9.595 -8.356 1004 H3' DC 26 H3' C 26 13.357 -10.181 -8.006 1005 H2' DC 26 H2' C 26 13.587 -9.616 -5.691 1006 H2'' DC 26 H2'' C 26 14.095 -8.108 -6.444 1007 H1' DC 26 H1' C 26 11.999 -7.058 -6.103 1008 H41 DC 26 H41 C 26 11.799 -8.827 0.266 1009 H42 DC 26 H42 C 26 11.195 -7.197 0.137 1010 H5 DC 26 H5 C 26 12.436 -10.153 -1.698 1011 H6 DC 26 H6 C 26 12.565 -10.155 -4.140 1012 H5' DA 27 H5' A 27 12.191 -5.746 -8.875 1013 H5'' DA 27 H5'' A 27 13.067 -5.505 -10.398 1014 H4' DA 27 H4' A 27 12.653 -3.356 -9.606 1015 H3' DA 27 H3' A 27 15.214 -3.873 -10.039 1016 H2' DA 27 H2' A 27 15.813 -4.744 -7.884 1017 H2'' DA 27 H2'' A 27 16.258 -3.055 -7.693 1018 H1' DA 27 H1' A 27 14.287 -2.525 -6.483 1019 H8 DA 27 H8 A 27 15.073 -6.306 -6.594 1020 H61 DA 27 H61 A 27 14.418 -7.167 -1.866 1021 H62 DA 27 H62 A 27 13.877 -6.184 -0.520 1022 H2 DA 27 H2 A 27 13.043 -2.102 -2.192 1023 H5' DC 28 H5' C 28 14.052 -0.014 -7.850 1024 H5'' DC 28 H5'' C 28 14.666 1.252 -8.932 1025 H4' DC 28 H4' C 28 14.414 2.321 -6.884 1026 H3' DC 28 H3' C 28 16.864 2.439 -7.885 1027 H2' DC 28 H2' C 28 17.779 0.439 -6.926 1028 H2'' DC 28 H2'' C 28 18.287 1.633 -5.745 1029 H1' DC 28 H1' C 28 16.537 1.098 -4.237 1030 H41 DC 28 H41 C 28 17.745 -5.392 -4.633 1031 H42 DC 28 H42 C 28 17.259 -5.060 -2.995 1032 H5 DC 28 H5 C 28 17.738 -3.702 -6.393 1033 H6 DC 28 H6 C 28 17.299 -1.349 -6.892 1034 H5' DA 29 H5' A 29 16.203 3.959 -3.518 1035 H5'' DA 29 H5'' A 29 16.722 5.647 -3.669 1036 H4' DA 29 H4' A 29 16.884 5.199 -1.396 1037 H3' DA 29 H3' A 29 19.147 6.019 -2.496 1038 H2' DA 29 H2' A 29 20.054 3.897 -3.159 1039 H2'' DA 29 H2'' A 29 20.828 4.120 -1.601 1040 H1' DA 29 H1' A 29 19.304 2.680 -0.481 1041 H8 DA 29 H8 A 29 19.279 2.164 -4.318 1042 H61 DA 29 H61 A 29 19.780 -2.671 -4.221 1043 H62 DA 29 H62 A 29 19.822 -3.852 -2.928 1044 H2 DA 29 H2 A 29 19.310 -1.571 0.900 1045 H5' DA 30 H5' A 30 19.214 4.412 1.846 1046 H5'' DA 30 H5'' A 30 19.733 5.865 2.719 1047 H4' DA 30 H4' A 30 20.193 4.142 4.193 1048 H3' DA 30 H3' A 30 22.329 5.562 3.542 1049 H2' DA 30 H2' A 30 23.068 4.331 1.630 1050 H2'' DA 30 H2'' A 30 24.028 3.571 2.890 1051 H1' DA 30 H1' A 30 22.595 1.688 3.049 1052 H8 DA 30 H8 A 30 21.886 3.666 -0.218 1053 H61 DA 30 H61 A 30 22.314 -0.111 -3.251 1054 H62 DA 30 H62 A 30 22.616 -1.817 -3.013 1055 H2 DA 30 H2 A 30 23.007 -2.435 1.421 1056 H5' DG 31 H5' G 31 22.922 1.695 5.868 1057 H5'' DG 31 H5'' G 31 23.541 2.288 7.423 1058 H4' DG 31 H4' G 31 24.121 0.041 7.389 1059 H3' DG 31 H3' G 31 26.171 1.685 7.706 1060 H2' DG 31 H2' G 31 26.750 2.048 5.402 1061 H2'' DG 31 H2'' G 31 27.835 0.726 5.814 1062 H1' DG 31 H1' G 31 26.455 -0.917 4.800 1063 H8 DG 31 H8 G 31 25.608 2.674 3.639 1064 H1 DG 31 H1 G 31 26.111 -1.784 -0.952 1065 H21 DG 31 H21 G 31 26.541 -3.983 1.689 1066 H22 DG 31 H22 G 31 26.460 -3.767 -0.045 1067 H5' DC 32 H5' C 32 27.251 -2.721 6.685 1068 H5'' DC 32 H5'' C 32 27.983 -3.207 8.226 1069 H4' DC 32 H4' C 32 28.843 -4.724 6.700 1070 H3' DC 32 H3' C 32 30.698 -3.318 7.962 1071 HO3' DC 32 H3T C 32 30.748 -5.303 6.053 1072 H2' DC 32 H2' C 32 30.874 -1.456 6.462 1073 H2'' DC 32 H2'' C 32 32.164 -2.485 5.852 1074 H1' DC 32 H1' C 32 30.859 -3.313 4.057 1075 H41 DC 32 H41 C 32 28.851 2.719 2.262 1076 H42 DC 32 H42 C 32 28.881 1.738 0.812 1077 H5 DC 32 H5 C 32 29.306 1.818 4.474 1078 H6 DC 32 H6 C 32 29.838 -0.209 5.723 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 -6.123 -1.435 -1.041 2 H2 MET 1 HT2 MET 1 -6.966 -1.043 -2.458 3 H3 MET 1 HT3 MET 1 -5.430 -0.385 -2.172 4 HA MET 1 HA MET 1 -4.325 -2.312 -2.604 5 HB2 MET 1 HB2 MET 1 -5.795 -4.477 -2.943 6 HB3 MET 1 HB1 MET 1 -5.270 -3.987 -1.342 7 HG2 MET 1 HG2 MET 1 -7.384 -4.121 -0.731 8 HG3 MET 1 HG1 MET 1 -7.666 -2.668 -1.689 9 HE1 MET 1 HE1 MET 1 -8.558 -6.999 -2.958 10 HE2 MET 1 HE2 MET 1 -8.165 -6.473 -1.320 11 HE3 MET 1 HE3 MET 1 -6.923 -6.462 -2.573 12 H VAL 2 HN VAL 2 -5.349 -4.252 -4.480 13 HA VAL 2 HA VAL 2 -5.195 -2.655 -6.809 14 HB VAL 2 HB VAL 2 -5.970 -4.986 -7.844 15 HG11 VAL 2 HG11 VAL 2 -3.240 -4.535 -6.651 16 HG12 VAL 2 HG12 VAL 2 -3.822 -3.791 -8.141 17 HG13 VAL 2 HG13 VAL 2 -3.639 -5.541 -8.044 18 HG21 VAL 2 HG21 VAL 2 -4.698 -5.836 -5.247 19 HG22 VAL 2 HG22 VAL 2 -5.398 -6.857 -6.500 20 HG23 VAL 2 HG23 VAL 2 -6.442 -5.845 -5.504 21 H GLN 3 HN GLN 3 -7.886 -4.586 -5.449 22 HA GLN 3 HA GLN 3 -9.742 -4.127 -7.453 23 HB2 GLN 3 HB2 GLN 3 -10.182 -4.426 -4.478 24 HB3 GLN 3 HB1 GLN 3 -11.480 -4.435 -5.666 25 HG2 GLN 3 HG2 GLN 3 -10.764 -6.457 -6.604 26 HG3 GLN 3 HG1 GLN 3 -9.181 -6.346 -5.840 27 HE21 GLN 3 HE21 GLN 3 -12.211 -5.708 -4.187 28 HE22 GLN 3 HE22 GLN 3 -12.130 -7.076 -3.131 29 H SER 4 HN SER 4 -8.814 -2.099 -4.760 30 HA SER 4 HA SER 4 -9.478 0.303 -6.027 31 HB2 SER 4 HB2 SER 4 -11.605 0.815 -5.326 32 HB3 SER 4 HB1 SER 4 -11.728 -0.911 -5.153 33 HG SER 4 HG SER 4 -10.760 0.643 -3.015 34 H CYS 5 HN CYS 5 -8.946 2.128 -4.678 35 HA CYS 5 HA CYS 5 -6.913 1.524 -2.756 36 HB2 CYS 5 HB2 CYS 5 -7.983 4.289 -3.152 37 HB3 CYS 5 HB1 CYS 5 -6.318 3.754 -2.939 38 H SER 6 HN SER 6 -6.938 2.963 -0.690 39 HA SER 6 HA SER 6 -9.106 2.070 0.911 40 HB2 SER 6 HB2 SER 6 -6.967 4.046 1.685 41 HB3 SER 6 HB1 SER 6 -7.871 2.962 2.744 42 HG SER 6 HG SER 6 -6.401 1.526 2.374 43 H ALA 7 HN ALA 7 -9.179 4.484 -1.206 44 HA ALA 7 HA ALA 7 -10.327 6.603 0.371 45 HB1 ALA 7 HB1 ALA 7 -9.114 7.171 -1.635 46 HB2 ALA 7 HB2 ALA 7 -10.806 7.637 -1.823 47 HB3 ALA 7 HB3 ALA 7 -10.197 6.179 -2.612 48 H TYR 8 HN TYR 8 -12.504 7.487 -0.869 49 HA TYR 8 HA TYR 8 -14.423 5.310 -0.442 50 HB2 TYR 8 HB2 TYR 8 -14.704 7.115 1.119 51 HB3 TYR 8 HB1 TYR 8 -14.671 8.311 -0.164 52 HD1 TYR 8 HD1 TYR 8 -16.676 5.255 -0.608 53 HD2 TYR 8 HD2 TYR 8 -16.713 9.309 0.695 54 HE1 TYR 8 HE1 TYR 8 -19.135 5.257 -0.689 55 HE2 TYR 8 HE2 TYR 8 -19.168 9.318 0.605 56 HH TYR 8 HH TYR 8 -20.982 8.204 -0.170 57 H GLY 9 HN GLY 9 -14.270 4.469 -2.542 58 HA2 GLY 9 HA2 GLY 9 -15.700 4.277 -4.450 59 HA3 GLY 9 HA1 GLY 9 -15.828 6.026 -4.485 60 H CYS 10 HN CYS 10 -12.627 4.925 -4.002 61 HA CYS 10 HA CYS 10 -11.997 5.781 -6.694 62 HB2 CYS 10 HB2 CYS 10 -10.640 6.656 -4.842 63 HB3 CYS 10 HB1 CYS 10 -10.087 5.022 -4.479 64 H LYS 11 HN LYS 11 -13.079 3.847 -7.599 65 HA LYS 11 HA LYS 11 -11.596 1.358 -7.386 66 HB2 LYS 11 HB2 LYS 11 -13.995 2.177 -9.034 67 HB3 LYS 11 HB1 LYS 11 -13.257 0.585 -9.133 68 HG2 LYS 11 HG2 LYS 11 -13.650 0.413 -6.628 69 HG3 LYS 11 HG1 LYS 11 -14.683 1.832 -6.808 70 HD2 LYS 11 HD2 LYS 11 -16.254 0.696 -8.056 71 HD3 LYS 11 HD1 LYS 11 -15.098 -0.527 -8.591 72 HE2 LYS 11 HE2 LYS 11 -15.067 -1.522 -6.392 73 HE3 LYS 11 HE1 LYS 11 -16.103 -0.245 -5.761 74 HZ1 LYS 11 HZ1 LYS 11 -16.934 -2.092 -7.924 75 HZ2 LYS 11 HZ2 LYS 11 -17.910 -1.029 -7.046 76 HZ3 LYS 11 HZ3 LYS 11 -17.236 -2.386 -6.284 77 H ASN 12 HN ASN 12 -9.857 3.119 -8.107 78 HA ASN 12 HA ASN 12 -9.599 3.202 -11.018 79 HB2 ASN 12 HB2 ASN 12 -8.132 4.565 -8.802 80 HB3 ASN 12 HB1 ASN 12 -7.637 4.697 -10.483 81 HD21 ASN 12 HD21 ASN 12 -8.278 7.002 -9.162 82 HD22 ASN 12 HD22 ASN 12 -9.791 7.609 -9.742 83 H ARG 13 HN ARG 13 -9.403 0.782 -10.122 84 HA ARG 13 HA ARG 13 -7.272 -0.572 -9.278 85 HB2 ARG 13 HB2 ARG 13 -9.453 -1.259 -10.657 86 HB3 ARG 13 HB1 ARG 13 -8.305 -1.387 -11.969 87 HG2 ARG 13 HG2 ARG 13 -8.412 -2.986 -9.427 88 HG3 ARG 13 HG1 ARG 13 -8.574 -3.551 -11.088 89 HD2 ARG 13 HD2 ARG 13 -6.157 -2.620 -11.355 90 HD3 ARG 13 HD1 ARG 13 -6.120 -2.723 -9.601 91 HE ARG 13 HE ARG 13 -6.852 -5.174 -10.086 92 HH11 ARG 13 HH11 ARG 13 -4.632 -3.282 -12.027 93 HH12 ARG 13 HH12 ARG 13 -3.652 -4.640 -12.465 94 HH21 ARG 13 HH21 ARG 13 -5.556 -6.970 -10.666 95 HH22 ARG 13 HH22 ARG 13 -4.175 -6.739 -11.691 96 H TYR 14 HN TYR 14 -5.156 -1.035 -9.947 97 HA TYR 14 HA TYR 14 -3.578 0.633 -11.362 98 HB2 TYR 14 HB2 TYR 14 -3.122 -1.737 -10.132 99 HB3 TYR 14 HB1 TYR 14 -2.915 -2.213 -11.812 100 HD1 TYR 14 HD1 TYR 14 -1.223 -0.806 -13.233 101 HD2 TYR 14 HD2 TYR 14 -1.357 -0.750 -8.982 102 HE1 TYR 14 HE1 TYR 14 1.059 0.082 -13.186 103 HE2 TYR 14 HE2 TYR 14 0.934 0.133 -8.928 104 HH TYR 14 HH TYR 14 2.920 0.233 -10.323 105 H ASP 15 HN ASP 15 -3.876 1.426 -13.270 106 HA ASP 15 HA ASP 15 -4.209 -0.334 -15.603 107 HB2 ASP 15 HB2 ASP 15 -6.394 0.780 -15.138 108 HB3 ASP 15 HB1 ASP 15 -5.588 2.340 -15.204 109 H LYS 16 HN LYS 16 -2.400 -0.144 -16.647 110 HA LYS 16 HA LYS 16 -0.427 1.762 -16.223 111 HB2 LYS 16 HB2 LYS 16 0.781 0.554 -17.732 112 HB3 LYS 16 HB1 LYS 16 -0.502 -0.602 -17.396 113 HG2 LYS 16 HG2 LYS 16 -1.425 1.025 -19.498 114 HG3 LYS 16 HG1 LYS 16 0.239 0.576 -19.883 115 HD2 LYS 16 HD2 LYS 16 -0.370 -1.800 -19.388 116 HD3 LYS 16 HD1 LYS 16 -2.048 -1.277 -19.233 117 HE2 LYS 16 HE2 LYS 16 -0.539 -0.561 -21.692 118 HE3 LYS 16 HE1 LYS 16 -1.122 -2.213 -21.507 119 HZ1 LYS 16 HZ1 LYS 16 -2.778 0.262 -21.440 120 HZ2 LYS 16 HZ2 LYS 16 -3.363 -1.310 -21.175 121 HZ3 LYS 16 HZ3 LYS 16 -2.730 -0.890 -22.683 122 H ASP 17 HN ASP 17 -3.205 1.890 -18.280 123 HA ASP 17 HA ASP 17 -2.241 3.935 -20.020 124 HB2 ASP 17 HB2 ASP 17 -4.831 2.615 -19.481 125 HB3 ASP 17 HB1 ASP 17 -4.910 4.225 -20.187 126 H LYS 18 HN LYS 18 -3.800 3.843 -16.927 127 HA LYS 18 HA LYS 18 -4.243 6.724 -16.917 128 HB2 LYS 18 HB2 LYS 18 -5.773 6.365 -15.294 129 HB3 LYS 18 HB1 LYS 18 -5.682 4.693 -15.817 130 HG2 LYS 18 HG2 LYS 18 -3.805 4.505 -14.042 131 HG3 LYS 18 HG1 LYS 18 -4.514 5.981 -13.392 132 HD2 LYS 18 HD2 LYS 18 -5.659 3.226 -13.539 133 HD3 LYS 18 HD1 LYS 18 -5.631 4.354 -12.194 134 HE2 LYS 18 HE2 LYS 18 -7.681 5.038 -12.695 135 HE3 LYS 18 HE1 LYS 18 -7.157 5.510 -14.308 136 HZ1 LYS 18 HZ1 LYS 18 -7.845 2.708 -13.658 137 HZ2 LYS 18 HZ2 LYS 18 -7.745 3.439 -15.179 138 HZ3 LYS 18 HZ3 LYS 18 -9.018 3.825 -14.139 139 HA PRO 19 HA PRO 19 -0.331 7.346 -14.969 140 HB2 PRO 19 HB2 PRO 19 -0.517 9.963 -14.383 141 HB3 PRO 19 HB1 PRO 19 -0.443 9.378 -16.056 142 HG2 PRO 19 HG2 PRO 19 -2.772 10.337 -14.498 143 HG3 PRO 19 HG1 PRO 19 -2.398 10.549 -16.218 144 HD2 PRO 19 HD2 PRO 19 -4.158 8.667 -15.160 145 HD3 PRO 19 HD1 PRO 19 -3.450 8.624 -16.785 146 H VAL 20 HN VAL 20 -1.037 5.898 -13.119 147 HA VAL 20 HA VAL 20 -0.695 7.426 -10.676 148 HB VAL 20 HB VAL 20 -2.430 6.500 -9.387 149 HG11 VAL 20 HG11 VAL 20 -3.234 8.335 -10.714 150 HG12 VAL 20 HG12 VAL 20 -4.517 7.143 -10.498 151 HG13 VAL 20 HG13 VAL 20 -3.650 7.242 -12.032 152 HG21 VAL 20 HG21 VAL 20 -3.045 4.657 -11.681 153 HG22 VAL 20 HG22 VAL 20 -4.045 4.830 -10.239 154 HG23 VAL 20 HG23 VAL 20 -2.392 4.230 -10.097 155 H SER 21 HN SER 21 0.320 6.304 -9.052 156 HA SER 21 HA SER 21 1.253 3.600 -9.753 157 HB2 SER 21 HB2 SER 21 3.211 4.336 -8.142 158 HB3 SER 21 HB1 SER 21 3.226 4.849 -9.829 159 HG SER 21 HG SER 21 2.556 6.857 -9.242 160 H PHE 22 HN PHE 22 1.680 2.206 -7.794 161 HA PHE 22 HA PHE 22 -0.217 2.951 -5.688 162 HB2 PHE 22 HB2 PHE 22 0.311 0.410 -7.086 163 HB3 PHE 22 HB1 PHE 22 0.089 0.262 -5.348 164 HD1 PHE 22 HD1 PHE 22 -1.524 1.254 -8.514 165 HD2 PHE 22 HD2 PHE 22 -2.048 0.645 -4.335 166 HE1 PHE 22 HE1 PHE 22 -3.975 1.339 -8.812 167 HE2 PHE 22 HE2 PHE 22 -4.488 0.733 -4.625 168 HZ PHE 22 HZ PHE 22 -5.451 1.080 -6.862 169 H HIS 23 HN HIS 23 0.244 2.112 -3.556 170 HA HIS 23 HA HIS 23 3.017 1.583 -2.798 171 HB2 HIS 23 HB2 HIS 23 1.897 3.698 -1.129 172 HB3 HIS 23 HB1 HIS 23 3.492 3.583 -1.838 173 HD1 HIS 23 HD1 HIS 23 0.006 4.477 -2.939 174 HD2 HIS 23 HD2 HIS 23 3.950 5.512 -3.694 175 HE1 HIS 23 HE1 HIS 23 -0.121 6.364 -4.547 176 HE2 HIS 23 HE2 HIS 23 2.292 7.035 -4.964 177 H LYS 24 HN LYS 24 3.040 1.426 -0.290 178 HA LYS 24 HA LYS 24 0.461 0.265 0.511 179 HB2 LYS 24 HB2 LYS 24 3.248 -0.547 0.963 180 HB3 LYS 24 HB1 LYS 24 2.282 -0.547 2.434 181 HG2 LYS 24 HG2 LYS 24 0.858 -2.189 1.659 182 HG3 LYS 24 HG1 LYS 24 1.210 -1.838 -0.034 183 HD2 LYS 24 HD2 LYS 24 2.217 -3.935 0.536 184 HD3 LYS 24 HD1 LYS 24 3.495 -2.742 0.315 185 HE2 LYS 24 HE2 LYS 24 3.217 -2.437 2.909 186 HE3 LYS 24 HE1 LYS 24 2.525 -4.056 2.810 187 HZ1 LYS 24 HZ1 LYS 24 4.678 -4.517 1.441 188 HZ2 LYS 24 HZ2 LYS 24 4.727 -4.525 3.134 189 HZ3 LYS 24 HZ3 LYS 24 5.269 -3.168 2.280 190 H PHE 25 HN PHE 25 0.050 0.598 3.014 191 HA PHE 25 HA PHE 25 -0.058 3.342 3.597 192 HB2 PHE 25 HB2 PHE 25 -0.583 0.848 5.077 193 HB3 PHE 25 HB1 PHE 25 -0.101 2.194 6.086 194 HD1 PHE 25 HD2 PHE 25 -2.495 1.467 3.332 195 HD2 PHE 25 HD1 PHE 25 -1.732 3.567 6.931 196 HE1 PHE 25 HE2 PHE 25 -4.807 2.326 3.311 197 HE2 PHE 25 HE1 PHE 25 -4.042 4.407 6.942 198 HZ PHE 25 HZ PHE 25 -5.586 3.791 5.128 199 HA PRO 26 HA PRO 26 3.923 4.318 5.377 200 HB2 PRO 26 HB2 PRO 26 3.216 6.064 7.336 201 HB3 PRO 26 HB1 PRO 26 3.127 6.499 5.617 202 HG2 PRO 26 HG2 PRO 26 0.955 5.544 7.425 203 HG3 PRO 26 HG1 PRO 26 0.948 6.915 6.299 204 HD2 PRO 26 HD2 PRO 26 -0.171 4.596 5.624 205 HD3 PRO 26 HD1 PRO 26 0.728 5.555 4.441 206 H LEU 27 HN LEU 27 3.871 2.002 6.171 207 HA LEU 27 HA LEU 27 2.930 1.397 8.778 208 HB2 LEU 27 HB2 LEU 27 4.730 0.050 6.799 209 HB3 LEU 27 HB1 LEU 27 4.541 -0.605 8.415 210 HG LEU 27 HG LEU 27 2.328 -0.178 6.388 211 HD11 LEU 27 HD11 LEU 27 3.633 -2.671 7.478 212 HD12 LEU 27 HD12 LEU 27 3.697 -2.078 5.819 213 HD13 LEU 27 HD13 LEU 27 2.171 -2.651 6.492 214 HD21 LEU 27 HD21 LEU 27 1.189 0.132 8.333 215 HD22 LEU 27 HD22 LEU 27 2.333 -0.814 9.287 216 HD23 LEU 27 HD23 LEU 27 1.155 -1.629 8.254 217 H THR 28 HN THR 28 5.755 2.840 7.550 218 HA THR 28 HA THR 28 7.209 2.428 10.019 219 HB THR 28 HB THR 28 9.098 3.417 8.843 220 HG1 THR 28 HG1 THR 28 8.139 3.645 6.361 221 HG21 THR 28 HG21 THR 28 9.201 1.806 6.921 222 HG22 THR 28 HG22 THR 28 7.499 1.417 7.238 223 HG23 THR 28 HG23 THR 28 8.733 1.074 8.459 224 H ARG 29 HN ARG 29 4.782 4.296 9.303 225 HA ARG 29 HA ARG 29 5.625 6.475 11.048 226 HB2 ARG 29 HB2 ARG 29 5.182 6.719 8.189 227 HB3 ARG 29 HB1 ARG 29 3.983 7.653 9.064 228 HG2 ARG 29 HG2 ARG 29 6.889 7.928 9.710 229 HG3 ARG 29 HG1 ARG 29 6.180 8.773 8.331 230 HD2 ARG 29 HD2 ARG 29 5.360 10.338 9.663 231 HD3 ARG 29 HD1 ARG 29 4.492 9.124 10.599 232 HE ARG 29 HE ARG 29 6.070 9.285 12.228 233 HH11 ARG 29 HH11 ARG 29 7.425 10.676 9.304 234 HH12 ARG 29 HH12 ARG 29 8.793 11.363 10.118 235 HH21 ARG 29 HH21 ARG 29 7.870 10.203 13.291 236 HH22 ARG 29 HH22 ARG 29 9.052 11.088 12.375 237 HA PRO 30 HA PRO 30 1.535 4.079 11.686 238 HB2 PRO 30 HB2 PRO 30 1.886 4.390 14.448 239 HB3 PRO 30 HB1 PRO 30 2.147 2.920 13.494 240 HG2 PRO 30 HG2 PRO 30 4.116 4.911 14.461 241 HG3 PRO 30 HG1 PRO 30 4.305 3.172 14.194 242 HD2 PRO 30 HD2 PRO 30 5.359 4.943 12.516 243 HD3 PRO 30 HD1 PRO 30 4.667 3.414 11.935 244 H SER 31 HN SER 31 2.543 6.740 13.918 245 HA SER 31 HA SER 31 0.003 7.634 14.574 246 HB2 SER 31 HB2 SER 31 1.541 9.954 14.359 247 HB3 SER 31 HB1 SER 31 1.396 8.925 15.786 248 HG SER 31 HG SER 31 3.576 9.178 15.194 249 H LEU 32 HN LEU 32 2.061 8.689 11.918 250 HA LEU 32 HA LEU 32 0.175 10.413 10.717 251 HB2 LEU 32 HB2 LEU 32 2.545 10.644 10.318 252 HB3 LEU 32 HB1 LEU 32 2.655 9.010 9.712 253 HG LEU 32 HG LEU 32 2.754 11.025 8.087 254 HD11 LEU 32 HD11 LEU 32 1.815 9.670 6.318 255 HD12 LEU 32 HD12 LEU 32 1.029 8.640 7.517 256 HD13 LEU 32 HD13 LEU 32 2.793 8.705 7.427 257 HD21 LEU 32 HD21 LEU 32 -0.185 10.775 8.603 258 HD22 LEU 32 HD22 LEU 32 0.485 11.480 7.126 259 HD23 LEU 32 HD23 LEU 32 0.833 12.221 8.691 260 H CYS 33 HN CYS 33 0.829 6.985 10.537 261 HA CYS 33 HA CYS 33 -0.591 6.346 8.157 262 HB2 CYS 33 HB2 CYS 33 0.998 4.858 9.454 263 HB3 CYS 33 HB1 CYS 33 -0.260 4.696 10.683 264 HG CYS 33 HG CYS 33 0.285 2.653 8.384 265 H LYS 34 HN LYS 34 -1.376 6.839 11.451 266 HA LYS 34 HA LYS 34 -3.978 5.774 11.461 267 HB2 LYS 34 HB2 LYS 34 -2.987 5.818 13.509 268 HB3 LYS 34 HB1 LYS 34 -2.218 7.366 13.223 269 HG2 LYS 34 HG2 LYS 34 -4.877 8.035 13.297 270 HG3 LYS 34 HG1 LYS 34 -4.737 6.769 14.527 271 HD2 LYS 34 HD2 LYS 34 -2.524 8.169 15.105 272 HD3 LYS 34 HD1 LYS 34 -3.517 9.473 14.433 273 HE2 LYS 34 HE2 LYS 34 -3.997 9.505 16.728 274 HE3 LYS 34 HE1 LYS 34 -5.358 8.653 16.001 275 HZ1 LYS 34 HZ1 LYS 34 -4.646 7.484 17.942 276 HZ2 LYS 34 HZ2 LYS 34 -3.047 7.424 17.394 277 HZ3 LYS 34 HZ3 LYS 34 -4.249 6.550 16.590 278 H GLU 35 HN GLU 35 -2.755 9.004 10.565 279 HA GLU 35 HA GLU 35 -5.397 10.117 10.949 280 HB2 GLU 35 HB2 GLU 35 -4.405 11.918 9.270 281 HB3 GLU 35 HB1 GLU 35 -4.105 11.960 10.985 282 HG2 GLU 35 HG2 GLU 35 -2.016 10.580 10.436 283 HG3 GLU 35 HG1 GLU 35 -2.288 11.154 8.788 284 H TRP 36 HN TRP 36 -3.813 8.258 8.559 285 HA TRP 36 HA TRP 36 -5.303 9.127 6.325 286 HB2 TRP 36 HB2 TRP 36 -4.066 6.435 6.951 287 HB3 TRP 36 HB1 TRP 36 -4.792 6.843 5.397 288 HD1 TRP 36 HD1 TRP 36 -2.604 9.351 7.294 289 HE1 TRP 36 HE1 TRP 36 -0.478 9.796 5.926 290 HE3 TRP 36 HE3 TRP 36 -3.222 5.802 3.645 291 HZ2 TRP 36 HZ2 TRP 36 0.782 8.774 3.625 292 HZ3 TRP 36 HZ3 TRP 36 -1.504 5.619 1.889 293 HH2 TRP 36 HH2 TRP 36 0.459 7.073 1.886 294 H GLU 37 HN GLU 37 -5.950 7.068 9.058 295 HA GLU 37 HA GLU 37 -8.316 5.840 8.093 296 HB2 GLU 37 HB2 GLU 37 -7.842 6.596 10.978 297 HB3 GLU 37 HB1 GLU 37 -8.731 5.216 10.347 298 HG2 GLU 37 HG2 GLU 37 -5.823 5.406 9.759 299 HG3 GLU 37 HG1 GLU 37 -6.336 4.993 11.392 300 H ALA 38 HN ALA 38 -7.559 8.887 9.602 301 HA ALA 38 HA ALA 38 -10.155 9.754 10.225 302 HB1 ALA 38 HB1 ALA 38 -9.146 11.998 10.378 303 HB2 ALA 38 HB2 ALA 38 -7.647 11.336 9.719 304 HB3 ALA 38 HB3 ALA 38 -8.254 10.773 11.278 305 H ALA 39 HN ALA 39 -8.292 9.693 7.317 306 HA ALA 39 HA ALA 39 -10.004 11.580 5.940 307 HB1 ALA 39 HB1 ALA 39 -7.792 9.793 4.926 308 HB2 ALA 39 HB2 ALA 39 -7.666 11.505 5.330 309 HB3 ALA 39 HB3 ALA 39 -8.650 10.995 3.959 310 H VAL 40 HN VAL 40 -9.764 8.185 6.508 311 HA VAL 40 HA VAL 40 -11.682 7.490 4.411 312 HB VAL 40 HB VAL 40 -10.744 5.598 6.528 313 HG11 VAL 40 HG11 VAL 40 -11.358 5.193 3.614 314 HG12 VAL 40 HG12 VAL 40 -12.499 4.940 4.934 315 HG13 VAL 40 HG13 VAL 40 -11.053 3.938 4.813 316 HG21 VAL 40 HG21 VAL 40 -8.818 4.969 5.076 317 HG22 VAL 40 HG22 VAL 40 -8.671 6.580 5.780 318 HG23 VAL 40 HG23 VAL 40 -9.150 6.396 4.093 319 H ARG 41 HN ARG 41 -12.748 9.258 6.005 320 HA ARG 41 HA ARG 41 -14.030 8.428 8.353 321 HB2 ARG 41 HB2 ARG 41 -15.200 10.479 8.290 322 HB3 ARG 41 HB1 ARG 41 -13.623 10.792 7.585 323 HG2 ARG 41 HG2 ARG 41 -16.004 10.200 5.859 324 HG3 ARG 41 HG1 ARG 41 -15.693 11.822 6.475 325 HD2 ARG 41 HD2 ARG 41 -13.252 11.133 5.475 326 HD3 ARG 41 HD1 ARG 41 -14.334 10.307 4.356 327 HE ARG 41 HE ARG 41 -15.317 12.876 4.631 328 HH11 ARG 41 HH11 ARG 41 -12.331 11.416 3.509 329 HH12 ARG 41 HH12 ARG 41 -12.001 12.684 2.370 330 HH21 ARG 41 HH21 ARG 41 -14.870 14.536 3.154 331 HH22 ARG 41 HH22 ARG 41 -13.434 14.467 2.182 332 H ARG 42 HN ARG 42 -14.552 6.817 5.726 333 HA ARG 42 HA ARG 42 -17.443 6.997 5.599 334 HB2 ARG 42 HB2 ARG 42 -15.883 6.645 3.578 335 HB3 ARG 42 HB1 ARG 42 -15.764 4.986 4.130 336 HG2 ARG 42 HG2 ARG 42 -17.444 5.282 2.357 337 HG3 ARG 42 HG1 ARG 42 -18.135 4.671 3.857 338 HD2 ARG 42 HD2 ARG 42 -18.780 7.046 4.394 339 HD3 ARG 42 HD1 ARG 42 -18.301 7.467 2.749 340 HE ARG 42 HE ARG 42 -20.012 5.633 2.141 341 HH11 ARG 42 HH11 ARG 42 -20.304 7.811 4.883 342 HH12 ARG 42 HH12 ARG 42 -22.037 7.802 4.856 343 HH21 ARG 42 HH21 ARG 42 -22.285 5.651 2.103 344 HH22 ARG 42 HH22 ARG 42 -23.164 6.587 3.269 345 H LYS 43 HN LYS 43 -18.847 5.325 6.120 346 HA LYS 43 HA LYS 43 -18.309 3.843 8.407 347 HB2 LYS 43 HB2 LYS 43 -20.564 4.065 8.141 348 HB3 LYS 43 HB1 LYS 43 -20.473 3.947 6.392 349 HG2 LYS 43 HG2 LYS 43 -20.223 1.526 6.558 350 HG3 LYS 43 HG1 LYS 43 -20.305 1.633 8.315 351 HD2 LYS 43 HD2 LYS 43 -22.560 2.734 8.010 352 HD3 LYS 43 HD1 LYS 43 -22.453 2.281 6.312 353 HE2 LYS 43 HE2 LYS 43 -22.434 -0.038 6.850 354 HE3 LYS 43 HE1 LYS 43 -22.232 0.301 8.568 355 HZ1 LYS 43 HZ1 LYS 43 -24.514 -0.307 8.035 356 HZ2 LYS 43 HZ2 LYS 43 -24.628 0.986 6.949 357 HZ3 LYS 43 HZ3 LYS 43 -24.435 1.287 8.599 358 H ASN 44 HN ASN 44 -18.466 2.752 5.029 359 HA ASN 44 HA ASN 44 -17.518 0.144 5.806 360 HB2 ASN 44 HB2 ASN 44 -17.494 -0.089 3.156 361 HB3 ASN 44 HB1 ASN 44 -18.989 -0.190 4.072 362 HD21 ASN 44 HD21 ASN 44 -20.290 0.479 2.410 363 HD22 ASN 44 HD22 ASN 44 -20.283 2.100 1.809 364 H PHE 45 HN PHE 45 -15.624 1.391 6.716 365 HA PHE 45 HA PHE 45 -13.539 2.476 5.282 366 HB2 PHE 45 HB2 PHE 45 -13.738 2.234 7.800 367 HB3 PHE 45 HB1 PHE 45 -13.243 0.561 7.621 368 HD1 PHE 45 HD1 PHE 45 -10.969 0.181 6.441 369 HD2 PHE 45 HD2 PHE 45 -12.118 3.865 8.204 370 HE1 PHE 45 HE1 PHE 45 -8.611 0.809 6.608 371 HE2 PHE 45 HE2 PHE 45 -9.760 4.521 8.377 372 HZ PHE 45 HZ PHE 45 -7.996 2.996 7.577 373 H LYS 46 HN LYS 46 -12.212 1.755 3.795 374 HA LYS 46 HA LYS 46 -12.415 -0.854 2.682 375 HB2 LYS 46 HB2 LYS 46 -11.362 1.696 1.969 376 HB3 LYS 46 HB1 LYS 46 -10.109 0.493 1.707 377 HG2 LYS 46 HG2 LYS 46 -11.107 -0.235 -0.132 378 HG3 LYS 46 HG1 LYS 46 -12.617 -0.488 0.738 379 HD2 LYS 46 HD2 LYS 46 -12.670 2.191 0.491 380 HD3 LYS 46 HD1 LYS 46 -11.766 1.768 -0.962 381 HE2 LYS 46 HE2 LYS 46 -14.516 0.835 -0.162 382 HE3 LYS 46 HE1 LYS 46 -14.080 1.838 -1.544 383 HZ1 LYS 46 HZ1 LYS 46 -13.418 -1.031 -1.150 384 HZ2 LYS 46 HZ2 LYS 46 -12.827 -0.087 -2.426 385 HZ3 LYS 46 HZ3 LYS 46 -14.490 -0.382 -2.288 386 HA PRO 47 HA PRO 47 -9.136 -3.316 4.296 387 HB2 PRO 47 HB2 PRO 47 -7.232 -2.691 2.100 388 HB3 PRO 47 HB1 PRO 47 -7.754 -4.260 2.739 389 HG2 PRO 47 HG2 PRO 47 -8.701 -3.370 0.429 390 HG3 PRO 47 HG1 PRO 47 -9.739 -4.246 1.575 391 HD2 PRO 47 HD2 PRO 47 -9.630 -1.330 0.972 392 HD3 PRO 47 HD1 PRO 47 -11.029 -2.333 1.373 393 H THR 48 HN THR 48 -7.124 -3.379 5.338 394 HA THR 48 HA THR 48 -6.534 -0.885 6.597 395 HB THR 48 HB THR 48 -5.323 -2.172 8.173 396 HG1 THR 48 HG1 THR 48 -4.862 -4.435 7.685 397 HG21 THR 48 HG21 THR 48 -6.960 -3.665 8.886 398 HG22 THR 48 HG22 THR 48 -7.394 -4.097 7.227 399 HG23 THR 48 HG23 THR 48 -7.857 -2.522 7.881 400 H LYS 49 HN LYS 49 -4.071 -0.950 7.357 401 HA LYS 49 HA LYS 49 -2.628 0.256 5.330 402 HB2 LYS 49 HB2 LYS 49 -0.655 -0.246 7.007 403 HB3 LYS 49 HB1 LYS 49 -1.891 0.950 7.358 404 HG2 LYS 49 HG2 LYS 49 -2.789 -1.562 8.329 405 HG3 LYS 49 HG1 LYS 49 -1.135 -1.294 8.889 406 HD2 LYS 49 HD2 LYS 49 -2.399 -0.253 10.534 407 HD3 LYS 49 HD1 LYS 49 -1.972 1.085 9.466 408 HE2 LYS 49 HE2 LYS 49 -4.140 0.906 8.367 409 HE3 LYS 49 HE1 LYS 49 -4.571 -0.444 9.415 410 HZ1 LYS 49 HZ1 LYS 49 -4.964 0.920 11.155 411 HZ2 LYS 49 HZ2 LYS 49 -5.257 2.054 9.928 412 HZ3 LYS 49 HZ3 LYS 49 -3.764 2.032 10.728 413 H TYR 50 HN TYR 50 -3.131 -3.074 5.611 414 HA TYR 50 HA TYR 50 -0.488 -3.772 4.653 415 HB2 TYR 50 HB2 TYR 50 -3.035 -5.325 4.950 416 HB3 TYR 50 HB1 TYR 50 -1.596 -6.006 4.218 417 HD1 TYR 50 HD1 TYR 50 0.526 -6.040 5.616 418 HD2 TYR 50 HD2 TYR 50 -3.344 -5.403 7.256 419 HE1 TYR 50 HE1 TYR 50 1.341 -6.811 7.793 420 HE2 TYR 50 HE2 TYR 50 -2.532 -6.159 9.461 421 HH TYR 50 HH TYR 50 -0.417 -7.914 10.077 422 H SER 51 HN SER 51 -3.652 -2.993 3.348 423 HA SER 51 HA SER 51 -3.032 -3.968 0.725 424 HB2 SER 51 HB2 SER 51 -5.037 -2.508 0.056 425 HB3 SER 51 HB1 SER 51 -5.333 -3.877 1.124 426 HG SER 51 HG SER 51 -5.407 -2.462 2.857 427 H SER 52 HN SER 52 -3.200 -2.280 -1.161 428 HA SER 52 HA SER 52 -1.188 -0.261 -0.533 429 HB2 SER 52 HB2 SER 52 -0.999 -0.563 -3.197 430 HB3 SER 52 HB1 SER 52 -0.125 -1.555 -2.031 431 HG SER 52 HG SER 52 -1.124 -3.164 -3.066 432 H ILE 53 HN ILE 53 -1.271 1.787 -1.412 433 HA ILE 53 HA ILE 53 -3.954 2.698 -2.254 434 HB ILE 53 HB ILE 53 -1.826 4.148 -0.637 435 HG12 ILE 53 HG12 ILE 53 -3.752 4.205 1.068 436 HG13 ILE 53 HG11 ILE 53 -4.487 2.943 0.089 437 HG21 ILE 53 HG21 ILE 53 -2.899 5.779 -2.001 438 HG22 ILE 53 HG22 ILE 53 -3.537 5.923 -0.356 439 HG23 ILE 53 HG23 ILE 53 -4.498 5.129 -1.604 440 HD11 ILE 53 HD11 ILE 53 -2.245 1.705 0.413 441 HD12 ILE 53 HD12 ILE 53 -3.393 1.763 1.749 442 HD13 ILE 53 HD13 ILE 53 -1.999 2.841 1.742 443 H CYS 54 HN CYS 54 -3.791 4.786 -3.668 444 HA CYS 54 HA CYS 54 -1.452 4.496 -5.397 445 HB2 CYS 54 HB2 CYS 54 -2.823 4.910 -7.326 446 HB3 CYS 54 HB1 CYS 54 -3.517 3.607 -6.389 447 H SER 55 HN SER 55 -0.874 6.307 -6.698 448 HA SER 55 HA SER 55 0.076 8.423 -5.313 449 HB2 SER 55 HB2 SER 55 0.361 9.492 -7.600 450 HB3 SER 55 HB1 SER 55 0.982 7.851 -7.416 451 HG SER 55 HG SER 55 -0.567 8.588 -9.281 452 H GLU 56 HN GLU 56 -2.656 8.799 -7.524 453 HA GLU 56 HA GLU 56 -3.275 11.399 -7.376 454 HB2 GLU 56 HB2 GLU 56 -5.763 10.449 -7.423 455 HB3 GLU 56 HB1 GLU 56 -4.661 10.279 -8.784 456 HG2 GLU 56 HG2 GLU 56 -4.405 8.058 -8.481 457 HG3 GLU 56 HG1 GLU 56 -4.546 8.167 -6.741 458 H HIS 57 HN HIS 57 -3.526 9.339 -4.637 459 HA HIS 57 HA HIS 57 -5.546 10.963 -3.350 460 HB2 HIS 57 HB2 HIS 57 -3.943 8.615 -2.350 461 HB3 HIS 57 HB1 HIS 57 -5.206 9.429 -1.423 462 HD1 HIS 57 HD1 HIS 57 -7.566 9.618 -3.085 463 HD2 HIS 57 HD2 HIS 57 -4.914 6.456 -3.567 464 HE1 HIS 57 HE1 HIS 57 -8.857 7.788 -4.262 465 H PHE 58 HN PHE 58 -2.109 11.105 -3.538 466 HA PHE 58 HA PHE 58 -2.184 13.091 -1.367 467 HB2 PHE 58 HB2 PHE 58 0.456 12.029 -1.401 468 HB3 PHE 58 HB1 PHE 58 -0.730 11.966 -0.088 469 HD1 PHE 58 HD1 PHE 58 0.569 10.250 -3.025 470 HD2 PHE 58 HD2 PHE 58 -1.785 9.924 0.490 471 HE1 PHE 58 HE1 PHE 58 0.533 7.832 -3.291 472 HE2 PHE 58 HE2 PHE 58 -1.833 7.479 0.239 473 HZ PHE 58 HZ PHE 58 -0.665 6.424 -1.659 474 H THR 59 HN THR 59 -0.201 14.459 -1.419 475 HA THR 59 HA THR 59 0.103 15.526 -4.062 476 HB THR 59 HB THR 59 1.815 16.992 -2.668 477 HG1 THR 59 HG1 THR 59 0.914 17.077 -0.448 478 HG21 THR 59 HG21 THR 59 -1.187 17.031 -2.517 479 HG22 THR 59 HG22 THR 59 -0.135 17.948 -3.597 480 HG23 THR 59 HG23 THR 59 -0.183 18.336 -1.880 481 HA PRO 60 HA PRO 60 3.660 13.363 -5.519 482 HB2 PRO 60 HB2 PRO 60 5.062 15.718 -6.280 483 HB3 PRO 60 HB1 PRO 60 3.993 14.752 -7.308 484 HG2 PRO 60 HG2 PRO 60 3.391 17.220 -5.767 485 HG3 PRO 60 HG1 PRO 60 2.791 16.708 -7.357 486 HD2 PRO 60 HD2 PRO 60 1.222 16.540 -5.242 487 HD3 PRO 60 HD1 PRO 60 1.269 15.208 -6.415 488 H ASP 61 HN ASP 61 4.024 16.229 -3.560 489 HA ASP 61 HA ASP 61 6.678 15.944 -2.715 490 HB2 ASP 61 HB2 ASP 61 4.481 16.941 -0.915 491 HB3 ASP 61 HB1 ASP 61 6.163 17.457 -0.969 492 H SER 62 HN SER 62 3.695 14.605 -1.409 493 HA SER 62 HA SER 62 5.146 13.223 0.707 494 HB2 SER 62 HB2 SER 62 2.765 14.450 0.773 495 HB3 SER 62 HB1 SER 62 2.234 12.815 0.370 496 HG SER 62 HG SER 62 2.665 12.227 2.331 497 H PHE 63 HN PHE 63 4.471 12.612 -2.412 498 HA PHE 63 HA PHE 63 3.191 10.346 -2.844 499 HB2 PHE 63 HB2 PHE 63 5.657 11.369 -4.052 500 HB3 PHE 63 HB1 PHE 63 5.326 9.673 -4.302 501 HD1 PHE 63 HD2 PHE 63 2.165 10.327 -4.198 502 HD2 PHE 63 HD1 PHE 63 5.496 11.666 -6.483 503 HE1 PHE 63 HE2 PHE 63 0.664 10.872 -6.034 504 HE2 PHE 63 HE1 PHE 63 3.988 12.211 -8.349 505 HZ PHE 63 HZ PHE 63 1.564 11.815 -8.127 506 H LYS 64 HN LYS 64 6.594 10.117 -1.654 507 HA LYS 64 HA LYS 64 6.084 7.823 -0.119 508 HB2 LYS 64 HB2 LYS 64 7.164 6.066 -1.485 509 HB3 LYS 64 HB1 LYS 64 5.678 6.663 -2.204 510 HG2 LYS 64 HG2 LYS 64 6.890 7.936 -3.826 511 HG3 LYS 64 HG1 LYS 64 8.422 7.591 -3.022 512 HD2 LYS 64 HD2 LYS 64 8.562 5.960 -4.589 513 HD3 LYS 64 HD1 LYS 64 7.537 5.081 -3.455 514 HE2 LYS 64 HE2 LYS 64 5.634 6.358 -4.802 515 HE3 LYS 64 HE1 LYS 64 6.865 6.317 -6.062 516 HZ1 LYS 64 HZ1 LYS 64 6.997 3.916 -5.811 517 HZ2 LYS 64 HZ2 LYS 64 5.418 4.383 -6.182 518 HZ3 LYS 64 HZ3 LYS 64 5.817 3.947 -4.595 519 H ARG 65 HN ARG 65 8.712 6.551 -1.087 520 HA ARG 65 HA ARG 65 10.410 7.722 0.805 521 HB2 ARG 65 HB2 ARG 65 12.215 6.351 -0.364 522 HB3 ARG 65 HB1 ARG 65 10.853 5.478 0.315 523 HG2 ARG 65 HG2 ARG 65 9.913 5.721 -2.137 524 HG3 ARG 65 HG1 ARG 65 11.627 5.888 -2.527 525 HD2 ARG 65 HD2 ARG 65 10.871 3.671 -0.709 526 HD3 ARG 65 HD1 ARG 65 10.375 3.518 -2.391 527 HE ARG 65 HE ARG 65 12.923 4.051 -2.756 528 HH11 ARG 65 HH11 ARG 65 11.490 1.977 -0.316 529 HH12 ARG 65 HH12 ARG 65 12.853 0.908 -0.240 530 HH21 ARG 65 HH21 ARG 65 14.707 2.627 -2.683 531 HH22 ARG 65 HH22 ARG 65 14.686 1.270 -1.603 532 H GLU 66 HN GLU 66 9.653 8.772 -2.290 533 HA GLU 66 HA GLU 66 12.155 10.134 -2.769 534 HB2 GLU 66 HB2 GLU 66 9.560 10.386 -4.331 535 HB3 GLU 66 HB1 GLU 66 11.164 10.906 -4.834 536 HG2 GLU 66 HG2 GLU 66 11.912 8.731 -5.149 537 HG3 GLU 66 HG1 GLU 66 10.612 8.043 -4.177 538 H SER 67 HN SER 67 9.930 10.604 -0.577 539 HA SER 67 HA SER 67 9.116 13.305 -0.901 540 HB2 SER 67 HB2 SER 67 7.760 12.005 0.502 541 HB3 SER 67 HB1 SER 67 9.124 11.315 1.357 542 HG SER 67 HG SER 67 8.479 12.756 2.773 543 H ASN 68 HN ASN 68 10.598 12.738 2.155 544 HA ASN 68 HA ASN 68 12.581 14.790 1.520 545 HB2 ASN 68 HB2 ASN 68 11.055 14.108 3.944 546 HB3 ASN 68 HB1 ASN 68 12.744 14.525 4.228 547 HD21 ASN 68 HD21 ASN 68 13.499 16.578 3.530 548 HD22 ASN 68 HD22 ASN 68 12.397 17.901 3.352 549 H ASN 69 HN ASN 69 12.582 12.051 3.817 550 HA ASN 69 HA ASN 69 15.390 11.628 3.076 551 HB2 ASN 69 HB2 ASN 69 15.171 11.953 5.424 552 HB3 ASN 69 HB1 ASN 69 13.826 10.826 5.522 553 HD21 ASN 69 HD21 ASN 69 14.497 9.205 6.719 554 HD22 ASN 69 HD22 ASN 69 15.958 8.313 6.488 555 H LYS 70 HN LYS 70 12.742 9.484 4.187 556 HA LYS 70 HA LYS 70 13.256 7.792 1.874 557 HB2 LYS 70 HB2 LYS 70 14.587 7.203 4.131 558 HB3 LYS 70 HB1 LYS 70 13.099 6.328 4.446 559 HG2 LYS 70 HG2 LYS 70 14.636 4.824 3.420 560 HG3 LYS 70 HG1 LYS 70 13.381 5.196 2.238 561 HD2 LYS 70 HD2 LYS 70 15.391 5.315 1.028 562 HD3 LYS 70 HD1 LYS 70 14.972 6.993 1.367 563 HE2 LYS 70 HE2 LYS 70 16.495 6.871 3.357 564 HE3 LYS 70 HE1 LYS 70 17.019 5.293 2.776 565 HZ1 LYS 70 HZ1 LYS 70 18.489 7.152 2.109 566 HZ2 LYS 70 HZ2 LYS 70 17.224 7.805 1.203 567 HZ3 LYS 70 HZ3 LYS 70 17.869 6.293 0.788 568 H LEU 71 HN LEU 71 11.006 9.295 3.726 569 HA LEU 71 HA LEU 71 8.934 7.644 2.580 570 HB2 LEU 71 HB2 LEU 71 9.690 7.217 5.243 571 HB3 LEU 71 HB1 LEU 71 8.198 8.131 5.327 572 HG LEU 71 HG LEU 71 8.571 5.336 4.809 573 HD11 LEU 71 HD11 LEU 71 6.008 5.483 4.896 574 HD12 LEU 71 HD12 LEU 71 6.268 7.191 5.247 575 HD13 LEU 71 HD13 LEU 71 6.927 5.962 6.323 576 HD21 LEU 71 HD21 LEU 71 8.562 5.771 2.458 577 HD22 LEU 71 HD22 LEU 71 7.186 6.865 2.611 578 HD23 LEU 71 HD23 LEU 71 6.977 5.137 2.901 579 H LEU 72 HN LEU 72 6.694 8.586 3.357 580 HA LEU 72 HA LEU 72 6.488 11.156 2.275 581 HB2 LEU 72 HB2 LEU 72 4.325 10.501 4.113 582 HB3 LEU 72 HB1 LEU 72 4.265 10.851 2.395 583 HG LEU 72 HG LEU 72 5.317 8.315 2.419 584 HD11 LEU 72 HD11 LEU 72 4.752 8.412 4.939 585 HD12 LEU 72 HD12 LEU 72 4.282 6.991 4.005 586 HD13 LEU 72 HD13 LEU 72 3.083 8.221 4.399 587 HD21 LEU 72 HD21 LEU 72 3.495 9.234 0.994 588 HD22 LEU 72 HD22 LEU 72 2.383 8.991 2.342 589 HD23 LEU 72 HD23 LEU 72 3.181 7.606 1.598 590 H LYS 73 HN LYS 73 5.264 12.950 3.437 591 HA LYS 73 HA LYS 73 6.867 13.691 5.718 592 HB2 LYS 73 HB2 LYS 73 5.080 15.748 5.445 593 HB3 LYS 73 HB1 LYS 73 6.666 15.681 4.706 594 HG2 LYS 73 HG2 LYS 73 4.234 14.626 3.319 595 HG3 LYS 73 HG1 LYS 73 4.677 16.325 3.247 596 HD2 LYS 73 HD2 LYS 73 6.261 13.966 2.254 597 HD3 LYS 73 HD1 LYS 73 5.547 15.258 1.295 598 HE2 LYS 73 HE2 LYS 73 7.165 16.643 3.005 599 HE3 LYS 73 HE1 LYS 73 8.074 15.152 2.749 600 HZ1 LYS 73 HZ1 LYS 73 7.682 15.555 0.306 601 HZ2 LYS 73 HZ2 LYS 73 8.770 16.597 1.077 602 HZ3 LYS 73 HZ3 LYS 73 7.201 17.124 0.731 603 H GLU 74 HN GLU 74 6.317 13.355 7.666 604 HA GLU 74 HA GLU 74 4.160 12.003 8.634 605 HB2 GLU 74 HB2 GLU 74 4.867 12.567 10.787 606 HB3 GLU 74 HB1 GLU 74 6.326 12.604 9.814 607 HG2 GLU 74 HG2 GLU 74 4.710 15.021 10.581 608 HG3 GLU 74 HG1 GLU 74 6.141 14.463 11.447 609 H ASN 75 HN ASN 75 4.255 15.341 7.790 610 HA ASN 75 HA ASN 75 1.770 15.901 9.210 611 HB2 ASN 75 HB2 ASN 75 3.963 17.518 8.144 612 HB3 ASN 75 HB1 ASN 75 2.361 18.201 7.880 613 HD21 ASN 75 HD21 ASN 75 3.201 16.150 10.572 614 HD22 ASN 75 HD22 ASN 75 3.060 17.359 11.789 615 H ALA 76 HN ALA 76 2.319 14.396 6.489 616 HA ALA 76 HA ALA 76 0.116 15.745 5.067 617 HB1 ALA 76 HB1 ALA 76 2.353 14.185 3.780 618 HB2 ALA 76 HB2 ALA 76 2.279 15.942 3.888 619 HB3 ALA 76 HB3 ALA 76 1.067 15.067 2.952 620 H VAL 77 HN VAL 77 -1.646 14.671 4.706 621 HA VAL 77 HA VAL 77 -1.593 11.739 4.611 622 HB VAL 77 HB VAL 77 -2.362 11.991 6.786 623 HG11 VAL 77 HG11 VAL 77 -3.769 13.659 7.668 624 HG12 VAL 77 HG12 VAL 77 -4.228 14.224 6.055 625 HG13 VAL 77 HG13 VAL 77 -2.586 14.478 6.641 626 HG21 VAL 77 HG21 VAL 77 -4.782 11.910 5.004 627 HG22 VAL 77 HG22 VAL 77 -4.856 11.632 6.743 628 HG23 VAL 77 HG23 VAL 77 -3.908 10.555 5.719 629 HA PRO 78 HA PRO 78 -3.695 12.199 0.751 630 HB2 PRO 78 HB2 PRO 78 -5.389 9.979 1.065 631 HB3 PRO 78 HB1 PRO 78 -3.756 9.956 0.375 632 HG2 PRO 78 HG2 PRO 78 -4.650 9.299 3.123 633 HG3 PRO 78 HG1 PRO 78 -3.379 8.554 2.129 634 HD2 PRO 78 HD2 PRO 78 -2.751 10.202 4.113 635 HD3 PRO 78 HD1 PRO 78 -1.853 10.253 2.583 636 H THR 79 HN THR 79 -4.956 13.987 0.830 637 HA THR 79 HA THR 79 -7.598 13.769 2.092 638 HB THR 79 HB THR 79 -6.000 15.703 2.654 639 HG1 THR 79 HG1 THR 79 -8.632 16.318 1.725 640 HG21 THR 79 HG21 THR 79 -7.064 16.866 0.091 641 HG22 THR 79 HG22 THR 79 -5.462 16.141 0.218 642 HG23 THR 79 HG23 THR 79 -5.869 17.553 1.190 643 H ILE 80 HN ILE 80 -6.003 13.689 -0.855 644 HA ILE 80 HA ILE 80 -8.006 14.841 -2.542 645 HB ILE 80 HB ILE 80 -6.044 12.858 -3.598 646 HG12 ILE 80 HG12 ILE 80 -5.057 14.643 -1.839 647 HG13 ILE 80 HG11 ILE 80 -4.164 14.102 -3.252 648 HG21 ILE 80 HG21 ILE 80 -5.943 14.476 -5.460 649 HG22 ILE 80 HG22 ILE 80 -7.115 15.484 -4.609 650 HG23 ILE 80 HG23 ILE 80 -7.572 13.870 -5.152 651 HD11 ILE 80 HD11 ILE 80 -5.653 16.685 -2.887 652 HD12 ILE 80 HD12 ILE 80 -5.067 16.122 -4.452 653 HD13 ILE 80 HD13 ILE 80 -3.924 16.443 -3.149 654 H PHE 81 HN PHE 81 -8.284 12.227 -0.689 655 HA PHE 81 HA PHE 81 -8.945 10.002 -2.111 656 HB2 PHE 81 HB2 PHE 81 -10.125 11.162 0.385 657 HB3 PHE 81 HB1 PHE 81 -10.834 9.721 -0.321 658 HD1 PHE 81 HD2 PHE 81 -7.712 9.070 -1.261 659 HD2 PHE 81 HD1 PHE 81 -9.858 9.625 2.370 660 HE1 PHE 81 HE2 PHE 81 -6.077 7.671 -0.090 661 HE2 PHE 81 HE1 PHE 81 -8.221 8.222 3.550 662 HZ PHE 81 HZ PHE 81 -6.324 7.243 2.318 663 H LEU 82 HN LEU 82 -11.315 12.557 -1.323 664 HA LEU 82 HA LEU 82 -12.561 12.415 -3.876 665 HB2 LEU 82 HB2 LEU 82 -13.426 10.527 -1.902 666 HB3 LEU 82 HB1 LEU 82 -14.706 11.693 -2.147 667 HG LEU 82 HG LEU 82 -14.119 9.406 -3.691 668 HD11 LEU 82 HD11 LEU 82 -16.323 10.313 -3.121 669 HD12 LEU 82 HD12 LEU 82 -16.148 9.997 -4.846 670 HD13 LEU 82 HD13 LEU 82 -16.050 11.648 -4.241 671 HD21 LEU 82 HD21 LEU 82 -13.829 11.908 -5.349 672 HD22 LEU 82 HD22 LEU 82 -13.886 10.249 -5.933 673 HD23 LEU 82 HD23 LEU 82 -12.520 10.793 -4.962 674 H GLU 83 HN GLU 83 -14.689 13.715 -3.814 675 HA GLU 83 HA GLU 83 -14.197 16.134 -2.377 676 HB2 GLU 83 HB2 GLU 83 -15.166 16.115 -4.658 677 HB3 GLU 83 HB1 GLU 83 -16.608 15.338 -4.029 678 HG2 GLU 83 HG2 GLU 83 -17.127 17.619 -4.277 679 HG3 GLU 83 HG1 GLU 83 -16.912 17.348 -2.548 680 H LEU 84 HN LEU 84 -16.963 13.874 -2.420 681 HA LEU 84 HA LEU 84 -17.186 14.002 0.455 682 HB2 LEU 84 HB2 LEU 84 -18.515 15.963 -0.829 683 HB3 LEU 84 HB1 LEU 84 -19.728 14.703 -0.910 684 HG LEU 84 HG LEU 84 -20.034 16.225 1.019 685 HD11 LEU 84 HD11 LEU 84 -20.376 14.509 2.704 686 HD12 LEU 84 HD12 LEU 84 -19.340 13.400 1.805 687 HD13 LEU 84 HD13 LEU 84 -20.875 13.928 1.116 688 HD21 LEU 84 HD21 LEU 84 -18.516 16.267 2.846 689 HD22 LEU 84 HD22 LEU 84 -17.591 16.606 1.384 690 HD23 LEU 84 HD23 LEU 84 -17.515 15.009 2.125 691 H VAL 85 HN VAL 85 -19.294 13.213 -2.313 692 HA VAL 85 HA VAL 85 -19.171 10.408 -1.635 693 HB VAL 85 HB VAL 85 -20.954 10.932 -0.196 694 HG11 VAL 85 HG11 VAL 85 -22.131 12.607 -2.414 695 HG12 VAL 85 HG12 VAL 85 -21.403 13.205 -0.922 696 HG13 VAL 85 HG13 VAL 85 -22.903 12.282 -0.863 697 HG21 VAL 85 HG21 VAL 85 -22.895 9.840 -1.159 698 HG22 VAL 85 HG22 VAL 85 -21.422 9.015 -1.667 699 HG23 VAL 85 HG23 VAL 85 -22.258 10.092 -2.783 700 HA PRO 86 HA PRO 86 -19.430 10.350 -6.095 701 HB2 PRO 86 HB2 PRO 86 -19.613 7.474 -5.990 702 HB3 PRO 86 HB1 PRO 86 -18.221 8.468 -6.445 703 HG2 PRO 86 HG2 PRO 86 -18.388 6.912 -4.186 704 HG3 PRO 86 HG1 PRO 86 -17.258 8.251 -4.441 705 HD2 PRO 86 HD2 PRO 86 -19.729 8.167 -2.814 706 HD3 PRO 86 HD1 PRO 86 -18.269 9.145 -2.605 707 H ARG 87 HN ARG 87 -20.928 9.622 -7.730 708 HA ARG 87 HA ARG 87 -23.576 8.992 -6.610 709 HB2 ARG 87 HB2 ARG 87 -24.442 10.112 -8.731 710 HB3 ARG 87 HB1 ARG 87 -23.738 11.157 -7.512 711 HG2 ARG 87 HG2 ARG 87 -22.721 12.039 -9.314 712 HG3 ARG 87 HG1 ARG 87 -21.563 10.748 -8.990 713 HD2 ARG 87 HD2 ARG 87 -22.095 10.765 -11.336 714 HD3 ARG 87 HD1 ARG 87 -22.778 9.313 -10.605 715 HE ARG 87 HE ARG 87 -24.342 11.725 -11.294 716 HH11 ARG 87 HH11 ARG 87 -24.088 8.241 -10.904 717 HH12 ARG 87 HH12 ARG 87 -25.691 7.938 -11.487 718 HH21 ARG 87 HH21 ARG 87 -26.452 11.314 -12.050 719 HH22 ARG 87 HH22 ARG 87 -27.037 9.679 -12.125 720 H5' DG 1 H5' G 1 31.758 -0.414 -7.221 721 H5'' DG 1 H5'' G 1 30.671 -0.830 -8.560 722 H4' DG 1 H4' G 1 31.422 -2.822 -7.416 723 H3' DG 1 H3' G 1 28.894 -2.576 -8.162 724 H2' DG 1 H2' G 1 28.012 -1.469 -6.229 725 H2'' DG 1 H2'' G 1 27.669 -3.145 -5.826 726 H1' DG 1 H1' G 1 29.520 -3.325 -4.357 727 H8 DG 1 H8 G 1 28.805 0.375 -5.242 728 H1 DG 1 H1 G 1 29.364 -0.970 1.009 729 H21 DG 1 H21 G 1 30.044 -4.194 -0.046 730 H22 DG 1 H22 G 1 29.843 -3.092 1.295 731 HO5' DG 1 H5T G 1 28.957 -0.087 -7.426 732 H5' DC 2 H5' C 2 29.762 -6.014 -5.199 733 H5'' DC 2 H5'' C 2 29.345 -7.455 -6.148 734 H4' DC 2 H4' C 2 29.141 -8.142 -3.934 735 H3' DC 2 H3' C 2 26.943 -8.435 -5.387 736 H2' DC 2 H2' C 2 25.915 -6.307 -4.994 737 H2'' DC 2 H2'' C 2 25.146 -7.274 -3.742 738 H1' DC 2 H1' C 2 26.566 -6.461 -2.031 739 H41 DC 2 H41 C 2 25.759 -0.181 -3.935 740 H42 DC 2 H42 C 2 25.835 -0.172 -2.190 741 H5 DC 2 H5 C 2 26.064 -2.173 -5.276 742 H6 DC 2 H6 C 2 26.521 -4.571 -5.204 743 H5' DT 3 H5' T 3 26.564 -9.137 -0.832 744 H5'' DT 3 H5'' T 3 26.053 -10.834 -0.772 745 H4' DT 3 H4' T 3 25.394 -9.960 1.281 746 H3' DT 3 H3' T 3 23.416 -11.008 -0.149 747 H2' DT 3 H2' T 3 22.738 -9.070 -1.377 748 H2'' DT 3 H2'' T 3 21.630 -9.000 -0.017 749 H1' DT 3 H1' T 3 22.900 -7.352 1.117 750 H3 DT 3 H3 T 3 23.281 -3.392 -0.897 751 H71 DT 3 H71 T 3 23.766 -7.156 -4.724 752 H72 DT 3 H72 T 3 23.892 -5.413 -5.068 753 H73 DT 3 H73 T 3 22.295 -6.163 -4.848 754 H6 DT 3 H6 T 3 23.513 -7.893 -2.460 755 H5' DT 4 H5' T 4 22.542 -8.567 3.479 756 H5'' DT 4 H5'' T 4 21.845 -9.738 4.613 757 H4' DT 4 H4' T 4 21.287 -7.679 5.512 758 H3' DT 4 H3' T 4 19.193 -9.213 4.997 759 H2' DT 4 H2' T 4 18.748 -8.532 2.739 760 H2'' DT 4 H2'' T 4 17.661 -7.473 3.624 761 H1' DT 4 H1' T 4 19.129 -5.612 3.482 762 H3 DT 4 H3 T 4 19.961 -3.997 -0.567 763 H71 DT 4 H71 T 4 20.487 -9.325 -0.947 764 H72 DT 4 H72 T 4 20.720 -8.223 -2.324 765 H73 DT 4 H73 T 4 19.078 -8.715 -1.846 766 H6 DT 4 H6 T 4 19.809 -8.431 1.194 767 H5' DG 5 H5' G 5 18.402 -4.734 6.371 768 H5'' DG 5 H5'' G 5 17.485 -5.106 7.844 769 H4' DG 5 H4' G 5 16.871 -2.927 7.328 770 H3' DG 5 H3' G 5 14.842 -4.625 7.453 771 H2' DG 5 H2' G 5 14.788 -5.355 5.173 772 H2'' DG 5 H2'' G 5 13.617 -4.041 5.118 773 H1' DG 5 H1' G 5 15.151 -2.513 4.162 774 H8 DG 5 H8 G 5 16.321 -6.180 3.898 775 H1 DG 5 H1 G 5 16.680 -2.743 -1.507 776 H21 DG 5 H21 G 5 15.710 -0.074 0.478 777 H22 DG 5 H22 G 5 16.168 -0.639 -1.114 778 H5' DT 6 H5' T 6 13.933 -0.444 5.794 779 H5'' DT 6 H5'' T 6 12.770 0.209 6.967 780 H4' DT 6 H4' T 6 12.394 1.452 5.039 781 H3' DT 6 H3' T 6 10.272 0.153 5.952 782 H2' DT 6 H2' T 6 10.534 -1.911 4.771 783 H2'' DT 6 H2'' T 6 9.440 -1.056 3.701 784 H1' DT 6 H1' T 6 11.182 -0.423 2.207 785 H3 DT 6 H3 T 6 13.341 -3.699 0.077 786 H71 DT 6 H71 T 6 13.386 -6.372 3.877 787 H72 DT 6 H72 T 6 12.596 -5.379 5.125 788 H73 DT 6 H73 T 6 11.610 -6.266 3.938 789 H6 DT 6 H6 T 6 11.777 -3.181 4.554 790 H5' DG 7 H5' G 7 10.186 2.537 2.042 791 H5'' DG 7 H5'' G 7 8.798 3.630 2.207 792 H4' DG 7 H4' G 7 9.216 3.572 -0.079 793 H3' DG 7 H3' G 7 6.760 2.858 0.600 794 H2' DG 7 H2' G 7 7.105 0.500 0.902 795 H2'' DG 7 H2'' G 7 6.540 0.550 -0.761 796 H1' DG 7 H1' G 7 8.737 0.360 -1.659 797 H8 DG 7 H8 G 7 8.891 -0.473 2.124 798 H1 DG 7 H1 G 7 10.806 -5.081 -1.910 799 H21 DG 7 H21 G 7 10.227 -2.725 -4.379 800 H22 DG 7 H22 G 7 10.740 -4.347 -3.997 801 H5' DT 8 H5' T 8 8.008 1.504 -3.680 802 H5'' DT 8 H5'' T 8 6.965 2.625 -4.575 803 H4' DT 8 H4' T 8 7.363 0.917 -6.091 804 H3' DT 8 H3' T 8 4.798 1.301 -5.534 805 H2' DT 8 H2' T 8 4.584 -0.188 -3.656 806 H2'' DT 8 H2'' T 8 4.047 -1.225 -4.972 807 H1' DT 8 H1' T 8 6.147 -2.321 -5.151 808 H3 DT 8 H3 T 8 7.259 -4.896 -1.728 809 H71 DT 8 H71 T 8 5.421 -0.239 0.304 810 H72 DT 8 H72 T 8 6.503 -1.287 1.255 811 H73 DT 8 H73 T 8 4.809 -1.762 0.989 812 H6 DT 8 H6 T 8 5.622 -0.422 -2.009 813 H5' DG 9 H5' G 9 5.127 -3.350 -7.656 814 H5'' DG 9 H5'' G 9 4.338 -2.588 -9.049 815 H4' DG 9 H4' G 9 3.453 -4.700 -9.115 816 H3' DG 9 H3' G 9 1.609 -2.846 -8.669 817 H2' DG 9 H2' G 9 1.641 -2.802 -6.275 818 H2'' DG 9 H2'' G 9 0.339 -3.947 -6.558 819 H1' DG 9 H1' G 9 1.713 -5.833 -6.190 820 H8 DG 9 H8 G 9 2.461 -2.576 -4.462 821 H1 DG 9 H1 G 9 4.292 -7.813 -1.229 822 H21 DG 9 H21 G 9 3.856 -9.457 -4.248 823 H22 DG 9 H22 G 9 4.319 -9.566 -2.567 824 H5' DG 10 H5' G 10 0.663 -7.189 -8.133 825 H5'' DG 10 H5'' G 10 -0.292 -7.328 -9.619 826 H4' DG 10 H4' G 10 -0.742 -9.308 -8.557 827 H3' DG 10 H3' G 10 -2.920 -7.835 -8.881 828 H2' DG 10 H2' G 10 -2.897 -6.601 -6.824 829 H2'' DG 10 H2'' G 10 -3.926 -7.957 -6.368 830 H1' DG 10 H1' G 10 -2.205 -9.109 -5.284 831 H8 DG 10 H8 G 10 -1.684 -5.299 -5.600 832 H1 DG 10 H1 G 10 0.007 -8.053 -0.046 833 H21 DG 10 H21 G 10 -0.284 -11.016 -1.805 834 H22 DG 10 H22 G 10 0.097 -10.246 -0.282 835 H5' DG 11 H5' G 11 -2.905 -11.314 -5.954 836 H5'' DG 11 H5'' G 11 -3.453 -12.280 -7.336 837 H4' DG 11 H4' G 11 -3.678 -13.766 -5.612 838 H3' DG 11 H3' G 11 -5.993 -13.165 -6.748 839 H2' DG 11 H2' G 11 -6.652 -11.317 -5.397 840 H2'' DG 11 H2'' G 11 -7.453 -12.626 -4.535 841 H1' DG 11 H1' G 11 -5.789 -12.755 -2.862 842 H8 DG 11 H8 G 11 -5.847 -9.438 -4.820 843 H1 DG 11 H1 G 11 -4.997 -8.938 1.533 844 H21 DG 11 H21 G 11 -4.602 -12.367 1.436 845 H22 DG 11 H22 G 11 -4.596 -10.916 2.412 846 H5' DC 12 H5' C 12 -5.919 -15.876 -3.033 847 H5'' DC 12 H5'' C 12 -6.580 -17.372 -3.722 848 H4' DC 12 H4' C 12 -6.834 -17.605 -1.415 849 H3' DC 12 H3' C 12 -9.060 -17.847 -2.834 850 H2' DC 12 H2' C 12 -9.773 -15.571 -2.859 851 H2'' DC 12 H2'' C 12 -10.668 -16.169 -1.473 852 H1' DC 12 H1' C 12 -9.130 -15.243 0.091 853 H41 DC 12 H41 C 12 -9.120 -9.393 -2.993 854 H42 DC 12 H42 C 12 -9.044 -9.093 -1.272 855 H5 DC 12 H5 C 12 -9.026 -11.644 -3.932 856 H6 DC 12 H6 C 12 -8.861 -14.013 -3.394 857 H5' DA 13 H5' A 13 -9.429 -17.895 1.859 858 H5'' DA 13 H5'' A 13 -10.178 -19.489 2.080 859 H4' DA 13 H4' A 13 -10.651 -18.273 4.028 860 H3' DA 13 H3' A 13 -12.748 -19.320 2.797 861 H2' DA 13 H2' A 13 -13.293 -17.521 1.319 862 H2'' DA 13 H2'' A 13 -14.340 -17.142 2.676 863 H1' DA 13 H1' A 13 -12.892 -15.460 3.509 864 H8 DA 13 H8 A 13 -12.179 -16.426 -0.170 865 H61 DA 13 H61 A 13 -11.909 -11.877 -1.909 866 H62 DA 13 H62 A 13 -11.969 -10.299 -1.154 867 H2 DA 13 H2 A 13 -12.456 -11.014 3.250 868 H5' DG 14 H5' G 14 -13.705 -16.549 6.639 869 H5'' DG 14 H5'' G 14 -14.681 -17.719 7.550 870 H4' DG 14 H4' G 14 -15.333 -15.577 8.289 871 H3' DG 14 H3' G 14 -17.265 -17.205 7.482 872 H2' DG 14 H2' G 14 -17.334 -16.634 5.164 873 H2'' DG 14 H2'' G 14 -18.572 -15.559 5.795 874 H1' DG 14 H1' G 14 -17.144 -13.670 5.790 875 H8 DG 14 H8 G 14 -15.915 -16.609 3.634 876 H1 DG 14 H1 G 14 -15.588 -10.811 0.899 877 H21 DG 14 H21 G 14 -16.514 -9.627 4.018 878 H22 DG 14 H22 G 14 -16.091 -9.244 2.367 879 H5' DC 15 H5' C 15 -18.762 -12.775 8.991 880 H5'' DC 15 H5'' C 15 -20.260 -13.222 9.829 881 H4' DC 15 H4' C 15 -20.420 -10.963 9.022 882 H3' DC 15 H3' C 15 -22.434 -12.658 8.680 883 H2' DC 15 H2' C 15 -21.865 -13.584 6.589 884 H2'' DC 15 H2'' C 15 -22.900 -12.271 6.050 885 H1' DC 15 H1' C 15 -21.080 -10.881 5.460 886 H41 DC 15 H41 C 15 -18.509 -15.925 2.108 887 H42 DC 15 H42 C 15 -18.199 -14.481 1.173 888 H5 DC 15 H5 C 15 -19.429 -15.871 4.344 889 H6 DC 15 H6 C 15 -20.343 -14.428 6.087 890 H5' DG 16 H5' G 16 -25.059 -8.126 8.383 891 H5'' DG 16 H5'' G 16 -26.569 -8.843 7.810 892 H4' DG 16 H4' G 16 -26.071 -6.525 6.996 893 H3' DG 16 H3' G 16 -27.396 -8.395 5.644 894 H2' DG 16 H2' G 16 -25.792 -9.433 4.429 895 H2'' DG 16 H2'' G 16 -26.198 -8.179 3.265 896 H1' DG 16 H1' G 16 -24.267 -6.932 3.749 897 H8 DG 16 H8 G 16 -23.199 -9.619 6.230 898 H1 DG 16 H1 G 16 -21.917 -11.087 0.126 899 H21 DG 16 H21 G 16 -23.411 -8.061 -0.629 900 H22 DG 16 H22 G 16 -22.617 -9.497 -1.223 901 H5' DC 17 H5' C 17 -23.529 -14.557 -6.654 902 H5'' DC 17 H5'' C 17 -22.117 -14.993 -7.632 903 H4' DC 17 H4' C 17 -22.490 -12.575 -7.537 904 H3' DC 17 H3' C 17 -20.043 -13.594 -7.510 905 H2' DC 17 H2' C 17 -19.786 -13.962 -5.155 906 H2'' DC 17 H2'' C 17 -19.055 -12.371 -5.323 907 H1' DC 17 H1' C 17 -20.976 -11.247 -4.512 908 H41 DC 17 H41 C 17 -21.266 -15.398 0.599 909 H42 DC 17 H42 C 17 -21.763 -13.840 1.197 910 H5 DC 17 H5 C 17 -20.875 -15.862 -1.750 911 H6 DC 17 H6 C 17 -20.806 -14.889 -3.988 912 H5' DG 18 H5' G 18 -20.604 -9.297 -6.316 913 H5'' DG 18 H5'' G 18 -19.773 -8.352 -7.565 914 H4' DG 18 H4' G 18 -19.968 -6.891 -5.765 915 H3' DG 18 H3' G 18 -17.483 -7.289 -6.593 916 H2' DG 18 H2' G 18 -16.894 -9.160 -5.220 917 H2'' DG 18 H2'' G 18 -16.292 -7.833 -4.236 918 H1' DG 18 H1' G 18 -18.163 -7.872 -2.782 919 H8 DG 18 H8 G 18 -17.678 -11.060 -4.870 920 H1 DG 18 H1 G 18 -19.091 -11.984 1.313 921 H21 DG 18 H21 G 18 -19.552 -8.545 1.404 922 H22 DG 18 H22 G 18 -19.568 -10.055 2.288 923 H5' DC 19 H5' C 19 -18.181 -5.105 -2.730 924 H5'' DC 19 H5'' C 19 -17.582 -3.456 -3.005 925 H4' DC 19 H4' C 19 -17.662 -3.658 -0.691 926 H3' DC 19 H3' C 19 -15.269 -3.048 -1.648 927 H2' DC 19 H2' C 19 -14.394 -5.247 -1.977 928 H2'' DC 19 H2'' C 19 -13.776 -4.891 -0.371 929 H1' DC 19 H1' C 19 -15.457 -6.165 0.717 930 H41 DC 19 H41 C 19 -14.690 -11.313 -3.394 931 H42 DC 19 H42 C 19 -15.017 -11.933 -1.794 932 H5 DC 19 H5 C 19 -14.729 -8.900 -3.880 933 H6 DC 19 H6 C 19 -15.067 -6.684 -2.917 934 H5' DT 20 H5' T 20 -15.532 -3.635 3.095 935 H5'' DT 20 H5'' T 20 -14.632 -2.237 3.711 936 H4' DT 20 H4' T 20 -14.605 -4.043 5.314 937 H3' DT 20 H3' T 20 -12.399 -2.653 4.858 938 H2' DT 20 H2' T 20 -11.521 -3.914 3.005 939 H2'' DT 20 H2'' T 20 -10.674 -4.662 4.352 940 H1' DT 20 H1' T 20 -12.142 -6.525 4.425 941 H3 DT 20 H3 T 20 -12.232 -9.224 0.930 942 H71 DT 20 H71 T 20 -11.631 -4.179 -0.890 943 H72 DT 20 H72 T 20 -10.976 -5.584 -1.766 944 H73 DT 20 H73 T 20 -12.716 -5.219 -1.840 945 H6 DT 20 H6 T 20 -12.231 -4.474 1.356 946 H5' DG 21 H5' G 21 -11.502 -6.874 7.446 947 H5'' DG 21 H5'' G 21 -11.014 -5.883 8.837 948 H4' DG 21 H4' G 21 -9.792 -7.839 9.094 949 H3' DG 21 H3' G 21 -8.313 -5.654 8.902 950 H2' DG 21 H2' G 21 -8.002 -5.581 6.530 951 H2'' DG 21 H2'' G 21 -6.554 -6.449 7.015 952 H1' DG 21 H1' G 21 -7.449 -8.565 6.433 953 H8 DG 21 H8 G 21 -8.798 -5.437 4.774 954 H1 DG 21 H1 G 21 -8.810 -10.672 1.062 955 H21 DG 21 H21 G 21 -8.176 -12.390 4.004 956 H22 DG 21 H22 G 21 -8.452 -12.476 2.283 957 H5' DC 22 H5' C 22 -6.294 -9.624 8.592 958 H5'' DC 22 H5'' C 22 -5.286 -9.705 10.052 959 H4' DC 22 H4' C 22 -4.382 -11.327 8.661 960 H3' DC 22 H3' C 22 -2.683 -9.419 9.382 961 H2' DC 22 H2' C 22 -3.017 -7.879 7.594 962 H2'' DC 22 H2'' C 22 -1.652 -8.792 6.967 963 H1' DC 22 H1' C 22 -3.004 -10.122 5.550 964 H41 DC 22 H41 C 22 -5.742 -4.657 3.001 965 H42 DC 22 H42 C 22 -5.690 -5.909 1.785 966 H5 DC 22 H5 C 22 -5.241 -5.227 5.415 967 H6 DC 22 H6 C 22 -4.357 -6.979 6.879 968 H5' DC 23 H5' C 23 -1.333 -12.386 5.968 969 H5'' DC 23 H5'' C 23 -0.407 -13.200 7.242 970 H4' DC 23 H4' C 23 0.467 -14.128 5.341 971 H3' DC 23 H3' C 23 2.297 -12.791 6.709 972 H2' DC 23 H2' C 23 2.057 -10.626 5.701 973 H2'' DC 23 H2'' C 23 3.353 -11.296 4.725 974 H1' DC 23 H1' C 23 1.916 -11.867 2.939 975 H41 DC 23 H41 C 23 -0.632 -5.811 2.866 976 H42 DC 23 H42 C 23 -0.533 -6.362 1.222 977 H5 DC 23 H5 C 23 -0.159 -7.271 4.768 978 H6 DC 23 H6 C 23 0.536 -9.498 5.438 979 H5' DC 24 H5' C 24 3.272 -14.212 2.398 980 H5'' DC 24 H5'' C 24 4.360 -15.492 2.966 981 H4' DC 24 H4' C 24 4.850 -15.328 0.710 982 H3' DC 24 H3' C 24 6.929 -14.878 2.294 983 H2' DC 24 H2' C 24 6.717 -12.513 2.577 984 H2'' DC 24 H2'' C 24 7.838 -12.575 1.224 985 H1' DC 24 H1' C 24 6.146 -12.147 -0.383 986 H41 DC 24 H41 C 24 4.085 -6.921 3.036 987 H42 DC 24 H42 C 24 3.865 -6.567 1.331 988 H5 DC 24 H5 C 24 4.779 -9.121 3.836 989 H6 DC 24 H6 C 24 5.387 -11.379 3.151 990 H5' DA 25 H5' A 25 7.475 -14.084 -2.299 991 H5'' DA 25 H5'' A 25 8.704 -15.332 -2.585 992 H4' DA 25 H4' A 25 8.886 -13.914 -4.415 993 H3' DA 25 H3' A 25 11.133 -14.190 -3.036 994 H2' DA 25 H2' A 25 10.874 -12.399 -1.471 995 H2'' DA 25 H2'' A 25 11.815 -11.608 -2.726 996 H1' DA 25 H1' A 25 9.926 -10.534 -3.667 997 H8 DA 25 H8 A 25 9.336 -11.760 -0.038 998 H61 DA 25 H61 A 25 7.534 -7.565 1.650 999 H62 DA 25 H62 A 25 7.119 -6.044 0.888 1000 H2 DA 25 H2 A 25 8.005 -6.518 -3.488 1001 H5' DC 26 H5' C 26 10.649 -11.088 -6.223 1002 H5'' DC 26 H5'' C 26 11.770 -11.713 -7.445 1003 H4' DC 26 H4' C 26 11.293 -9.582 -8.190 1004 H3' DC 26 H3' C 26 13.871 -9.977 -7.741 1005 H2' DC 26 H2' C 26 13.981 -9.317 -5.442 1006 H2'' DC 26 H2'' C 26 14.420 -7.811 -6.233 1007 H1' DC 26 H1' C 26 12.245 -6.885 -5.989 1008 H41 DC 26 H41 C 26 11.775 -8.564 0.404 1009 H42 DC 26 H42 C 26 11.195 -6.934 0.233 1010 H5 DC 26 H5 C 26 12.502 -9.910 -1.506 1011 H6 DC 26 H6 C 26 12.787 -9.938 -3.934 1012 H5' DA 27 H5' A 27 12.552 -5.546 -8.770 1013 H5'' DA 27 H5'' A 27 13.476 -5.331 -10.272 1014 H4' DA 27 H4' A 27 13.083 -3.168 -9.512 1015 H3' DA 27 H3' A 27 15.642 -3.762 -9.847 1016 H2' DA 27 H2' A 27 16.149 -4.614 -7.670 1017 H2'' DA 27 H2'' A 27 16.621 -2.933 -7.475 1018 H1' DA 27 H1' A 27 14.628 -2.353 -6.329 1019 H8 DA 27 H8 A 27 15.363 -6.137 -6.444 1020 H61 DA 27 H61 A 27 14.547 -7.070 -1.747 1021 H62 DA 27 H62 A 27 13.966 -6.103 -0.407 1022 H2 DA 27 H2 A 27 13.175 -1.997 -2.050 1023 H5' DC 28 H5' C 28 14.571 0.211 -7.820 1024 H5'' DC 28 H5'' C 28 15.268 1.426 -8.908 1025 H4' DC 28 H4' C 28 15.012 2.538 -6.883 1026 H3' DC 28 H3' C 28 17.498 2.526 -7.801 1027 H2' DC 28 H2' C 28 18.289 0.506 -6.786 1028 H2'' DC 28 H2'' C 28 18.801 1.690 -5.594 1029 H1' DC 28 H1' C 28 16.988 1.227 -4.142 1030 H41 DC 28 H41 C 28 17.882 -5.311 -4.628 1031 H42 DC 28 H42 C 28 17.402 -4.979 -2.984 1032 H5 DC 28 H5 C 28 18.011 -3.589 -6.344 1033 H6 DC 28 H6 C 28 17.674 -1.220 -6.813 1034 H5' DA 29 H5' A 29 16.741 4.136 -3.539 1035 H5'' DA 29 H5'' A 29 17.319 5.809 -3.637 1036 H4' DA 29 H4' A 29 17.336 5.309 -1.366 1037 H3' DA 29 H3' A 29 19.679 6.102 -2.313 1038 H2' DA 29 H2' A 29 20.585 3.981 -2.964 1039 H2'' DA 29 H2'' A 29 21.261 4.147 -1.353 1040 H1' DA 29 H1' A 29 19.650 2.701 -0.377 1041 H8 DA 29 H8 A 29 19.816 2.341 -4.227 1042 H61 DA 29 H61 A 29 20.166 -2.509 -4.329 1043 H62 DA 29 H62 A 29 20.118 -3.745 -3.093 1044 H2 DA 29 H2 A 29 19.544 -1.611 0.820 1045 H5' DA 30 H5' A 30 19.386 4.465 2.042 1046 H5'' DA 30 H5'' A 30 19.915 5.900 2.935 1047 H4' DA 30 H4' A 30 20.197 4.159 4.441 1048 H3' DA 30 H3' A 30 22.417 5.514 3.946 1049 H2' DA 30 H2' A 30 23.247 4.255 2.086 1050 H2'' DA 30 H2'' A 30 24.096 3.472 3.409 1051 H1' DA 30 H1' A 30 22.595 1.630 3.472 1052 H8 DA 30 H8 A 30 22.143 3.617 0.168 1053 H61 DA 30 H61 A 30 22.734 -0.148 -2.841 1054 H62 DA 30 H62 A 30 22.994 -1.864 -2.597 1055 H2 DA 30 H2 A 30 23.074 -2.502 1.855 1056 H5' DG 31 H5' G 31 22.780 1.600 6.364 1057 H5'' DG 31 H5'' G 31 23.329 2.203 7.940 1058 H4' DG 31 H4' G 31 23.911 -0.046 7.954 1059 H3' DG 31 H3' G 31 25.952 1.601 8.333 1060 H2' DG 31 H2' G 31 26.619 1.933 6.051 1061 H2'' DG 31 H2'' G 31 27.683 0.614 6.516 1062 H1' DG 31 H1' G 31 26.338 -1.033 5.459 1063 H8 DG 31 H8 G 31 25.556 2.557 4.277 1064 H1 DG 31 H1 G 31 26.219 -1.864 -0.326 1065 H21 DG 31 H21 G 31 26.549 -4.082 2.324 1066 H22 DG 31 H22 G 31 26.518 -3.881 0.586 1067 H5' DC 32 H5' C 32 27.030 -2.773 7.395 1068 H5'' DC 32 H5'' C 32 27.710 -3.278 8.954 1069 H4' DC 32 H4' C 32 28.570 -4.810 7.439 1070 H3' DC 32 H3' C 32 30.420 -3.466 8.775 1071 HO3' DC 32 H3T C 32 30.375 -5.553 7.135 1072 H2' DC 32 H2' C 32 30.698 -1.597 7.302 1073 H2'' DC 32 H2'' C 32 31.974 -2.657 6.722 1074 H1' DC 32 H1' C 32 30.703 -3.412 4.865 1075 H41 DC 32 H41 C 32 28.813 2.693 3.171 1076 H42 DC 32 H42 C 32 28.863 1.747 1.702 1077 H5 DC 32 H5 C 32 29.258 1.740 5.364 1078 H6 DC 32 H6 C 32 29.712 -0.326 6.578 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 -3.181 -2.346 -5.376 2 H2 MET 1 HT2 MET 1 -2.362 -3.748 -5.841 3 H3 MET 1 HT3 MET 1 -2.477 -3.338 -4.201 4 HA MET 1 HA MET 1 -4.013 -5.148 -4.986 5 HB2 MET 1 HB2 MET 1 -4.289 -3.528 -2.954 6 HB3 MET 1 HB1 MET 1 -5.547 -2.789 -3.935 7 HG2 MET 1 HG2 MET 1 -6.688 -4.968 -4.070 8 HG3 MET 1 HG1 MET 1 -5.452 -5.650 -3.014 9 HE1 MET 1 HE1 MET 1 -8.402 -5.541 -0.513 10 HE2 MET 1 HE2 MET 1 -7.079 -6.494 -1.181 11 HE3 MET 1 HE3 MET 1 -8.428 -6.017 -2.211 12 H VAL 2 HN VAL 2 -5.682 -5.720 -6.389 13 HA VAL 2 HA VAL 2 -6.218 -3.741 -8.474 14 HB VAL 2 HB VAL 2 -6.828 -5.502 -9.929 15 HG11 VAL 2 HG11 VAL 2 -4.466 -6.359 -8.264 16 HG12 VAL 2 HG12 VAL 2 -4.446 -5.267 -9.649 17 HG13 VAL 2 HG13 VAL 2 -4.844 -6.970 -9.874 18 HG21 VAL 2 HG21 VAL 2 -6.929 -7.230 -7.468 19 HG22 VAL 2 HG22 VAL 2 -6.867 -7.898 -9.099 20 HG23 VAL 2 HG23 VAL 2 -8.222 -6.879 -8.612 21 H GLN 3 HN GLN 3 -7.696 -4.189 -5.717 22 HA GLN 3 HA GLN 3 -10.362 -4.485 -6.867 23 HB2 GLN 3 HB2 GLN 3 -9.312 -4.682 -4.066 24 HB3 GLN 3 HB1 GLN 3 -11.024 -4.377 -4.347 25 HG2 GLN 3 HG2 GLN 3 -11.163 -6.414 -5.697 26 HG3 GLN 3 HG1 GLN 3 -9.453 -6.720 -5.409 27 HE21 GLN 3 HE21 GLN 3 -12.640 -6.672 -4.023 28 HE22 GLN 3 HE22 GLN 3 -12.244 -7.575 -2.597 29 H SER 4 HN SER 4 -8.805 -2.256 -4.507 30 HA SER 4 HA SER 4 -9.548 0.071 -5.883 31 HB2 SER 4 HB2 SER 4 -11.605 0.710 -4.979 32 HB3 SER 4 HB1 SER 4 -11.768 -1.018 -4.962 33 HG SER 4 HG SER 4 -10.569 -0.085 -2.697 34 H CYS 5 HN CYS 5 -8.931 2.009 -4.698 35 HA CYS 5 HA CYS 5 -6.851 1.549 -2.791 36 HB2 CYS 5 HB2 CYS 5 -7.868 4.305 -3.145 37 HB3 CYS 5 HB1 CYS 5 -6.222 3.693 -3.270 38 H SER 6 HN SER 6 -6.824 2.976 -0.744 39 HA SER 6 HA SER 6 -8.975 2.172 0.915 40 HB2 SER 6 HB2 SER 6 -6.352 2.854 1.326 41 HB3 SER 6 HB1 SER 6 -7.203 4.234 2.016 42 HG SER 6 HG SER 6 -7.367 1.506 2.741 43 H ALA 7 HN ALA 7 -9.134 4.551 -1.257 44 HA ALA 7 HA ALA 7 -10.213 6.676 0.365 45 HB1 ALA 7 HB1 ALA 7 -9.022 6.994 -1.831 46 HB2 ALA 7 HB2 ALA 7 -10.553 7.855 -1.660 47 HB3 ALA 7 HB3 ALA 7 -10.476 6.374 -2.613 48 H TYR 8 HN TYR 8 -12.410 7.550 -0.905 49 HA TYR 8 HA TYR 8 -14.362 5.462 -0.256 50 HB2 TYR 8 HB2 TYR 8 -14.562 7.414 1.147 51 HB3 TYR 8 HB1 TYR 8 -14.571 8.480 -0.249 52 HD1 TYR 8 HD1 TYR 8 -16.525 5.357 -0.206 53 HD2 TYR 8 HD2 TYR 8 -16.615 9.567 0.405 54 HE1 TYR 8 HE1 TYR 8 -18.978 5.301 -0.246 55 HE2 TYR 8 HE2 TYR 8 -19.076 9.523 0.355 56 HH TYR 8 HH TYR 8 -20.850 6.487 0.272 57 H GLY 9 HN GLY 9 -14.343 4.436 -2.292 58 HA2 GLY 9 HA2 GLY 9 -15.820 4.132 -4.134 59 HA3 GLY 9 HA1 GLY 9 -15.966 5.875 -4.265 60 H CYS 10 HN CYS 10 -12.744 5.238 -3.856 61 HA CYS 10 HA CYS 10 -12.202 5.778 -6.619 62 HB2 CYS 10 HB2 CYS 10 -10.864 6.795 -4.780 63 HB3 CYS 10 HB1 CYS 10 -10.211 5.200 -4.416 64 H LYS 11 HN LYS 11 -13.241 3.734 -7.349 65 HA LYS 11 HA LYS 11 -11.705 1.300 -6.966 66 HB2 LYS 11 HB2 LYS 11 -13.976 1.792 -8.906 67 HB3 LYS 11 HB1 LYS 11 -13.370 0.239 -8.351 68 HG2 LYS 11 HG2 LYS 11 -14.103 0.868 -6.046 69 HG3 LYS 11 HG1 LYS 11 -14.881 2.287 -6.746 70 HD2 LYS 11 HD2 LYS 11 -16.672 1.047 -7.193 71 HD3 LYS 11 HD1 LYS 11 -15.695 0.069 -8.291 72 HE2 LYS 11 HE2 LYS 11 -15.000 -0.896 -5.807 73 HE3 LYS 11 HE1 LYS 11 -16.717 -0.542 -5.627 74 HZ1 LYS 11 HZ1 LYS 11 -15.582 -2.180 -7.829 75 HZ2 LYS 11 HZ2 LYS 11 -17.221 -1.953 -7.474 76 HZ3 LYS 11 HZ3 LYS 11 -16.234 -2.823 -6.408 77 H ASN 12 HN ASN 12 -10.176 3.315 -7.922 78 HA ASN 12 HA ASN 12 -9.908 3.256 -10.789 79 HB2 ASN 12 HB2 ASN 12 -8.270 4.507 -8.625 80 HB3 ASN 12 HB1 ASN 12 -7.925 4.711 -10.335 81 HD21 ASN 12 HD21 ASN 12 -8.226 7.011 -9.945 82 HD22 ASN 12 HD22 ASN 12 -9.824 7.665 -9.928 83 H ARG 13 HN ARG 13 -9.692 0.792 -9.977 84 HA ARG 13 HA ARG 13 -7.552 -0.615 -9.281 85 HB2 ARG 13 HB2 ARG 13 -9.702 -1.327 -10.552 86 HB3 ARG 13 HB1 ARG 13 -8.746 -1.141 -12.005 87 HG2 ARG 13 HG2 ARG 13 -8.205 -3.065 -9.744 88 HG3 ARG 13 HG1 ARG 13 -8.899 -3.456 -11.310 89 HD2 ARG 13 HD2 ARG 13 -6.556 -2.222 -12.028 90 HD3 ARG 13 HD1 ARG 13 -6.104 -3.061 -10.547 91 HE ARG 13 HE ARG 13 -7.455 -4.964 -11.918 92 HH11 ARG 13 HH11 ARG 13 -4.792 -2.880 -12.865 93 HH12 ARG 13 HH12 ARG 13 -4.068 -4.081 -13.887 94 HH21 ARG 13 HH21 ARG 13 -6.497 -6.517 -13.272 95 HH22 ARG 13 HH22 ARG 13 -5.038 -6.132 -14.131 96 H TYR 14 HN TYR 14 -5.399 -0.692 -9.795 97 HA TYR 14 HA TYR 14 -3.847 0.952 -11.141 98 HB2 TYR 14 HB2 TYR 14 -3.411 -1.532 -10.113 99 HB3 TYR 14 HB1 TYR 14 -3.126 -1.825 -11.825 100 HD1 TYR 14 HD1 TYR 14 -1.805 0.709 -12.671 101 HD2 TYR 14 HD2 TYR 14 -1.320 -1.614 -9.132 102 HE1 TYR 14 HE1 TYR 14 0.460 1.602 -12.400 103 HE2 TYR 14 HE2 TYR 14 0.955 -0.728 -8.862 104 HH TYR 14 HH TYR 14 2.665 0.362 -9.985 105 H ASP 15 HN ASP 15 -4.163 1.893 -13.007 106 HA ASP 15 HA ASP 15 -4.571 0.230 -15.389 107 HB2 ASP 15 HB2 ASP 15 -6.664 1.411 -14.900 108 HB3 ASP 15 HB1 ASP 15 -5.793 2.942 -14.840 109 H LYS 16 HN LYS 16 -2.789 0.317 -16.461 110 HA LYS 16 HA LYS 16 -0.730 2.148 -16.109 111 HB2 LYS 16 HB2 LYS 16 0.366 0.673 -17.369 112 HB3 LYS 16 HB1 LYS 16 -1.139 -0.225 -17.476 113 HG2 LYS 16 HG2 LYS 16 -1.593 1.474 -19.453 114 HG3 LYS 16 HG1 LYS 16 0.174 1.501 -19.495 115 HD2 LYS 16 HD2 LYS 16 0.298 -0.806 -19.919 116 HD3 LYS 16 HD1 LYS 16 -1.389 -1.063 -19.474 117 HE2 LYS 16 HE2 LYS 16 -0.611 0.676 -21.789 118 HE3 LYS 16 HE1 LYS 16 -0.798 -1.067 -21.968 119 HZ1 LYS 16 HZ1 LYS 16 -2.847 0.965 -21.324 120 HZ2 LYS 16 HZ2 LYS 16 -3.091 -0.662 -20.919 121 HZ3 LYS 16 HZ3 LYS 16 -2.864 -0.218 -22.534 122 H ASP 17 HN ASP 17 -3.524 2.293 -18.183 123 HA ASP 17 HA ASP 17 -2.559 4.279 -19.963 124 HB2 ASP 17 HB2 ASP 17 -5.204 3.120 -19.288 125 HB3 ASP 17 HB1 ASP 17 -5.208 4.708 -20.051 126 H LYS 18 HN LYS 18 -4.052 4.325 -16.833 127 HA LYS 18 HA LYS 18 -4.352 7.218 -16.860 128 HB2 LYS 18 HB2 LYS 18 -5.772 6.979 -15.085 129 HB3 LYS 18 HB1 LYS 18 -5.910 5.357 -15.737 130 HG2 LYS 18 HG2 LYS 18 -4.167 4.632 -14.109 131 HG3 LYS 18 HG1 LYS 18 -4.249 6.242 -13.394 132 HD2 LYS 18 HD2 LYS 18 -6.489 4.233 -13.593 133 HD3 LYS 18 HD1 LYS 18 -5.641 4.715 -12.128 134 HE2 LYS 18 HE2 LYS 18 -7.255 6.221 -11.842 135 HE3 LYS 18 HE1 LYS 18 -6.534 7.102 -13.190 136 HZ1 LYS 18 HZ1 LYS 18 -8.661 5.041 -13.443 137 HZ2 LYS 18 HZ2 LYS 18 -7.999 5.942 -14.706 138 HZ3 LYS 18 HZ3 LYS 18 -8.914 6.710 -13.511 139 HA PRO 19 HA PRO 19 -0.429 7.694 -14.919 140 HB2 PRO 19 HB2 PRO 19 -0.562 10.301 -14.230 141 HB3 PRO 19 HB1 PRO 19 -0.450 9.766 -15.916 142 HG2 PRO 19 HG2 PRO 19 -2.757 10.850 -14.443 143 HG3 PRO 19 HG1 PRO 19 -2.382 10.912 -16.174 144 HD2 PRO 19 HD2 PRO 19 -4.181 9.147 -14.889 145 HD3 PRO 19 HD1 PRO 19 -3.646 9.090 -16.578 146 H VAL 20 HN VAL 20 -1.210 6.211 -13.118 147 HA VAL 20 HA VAL 20 -0.860 7.661 -10.618 148 HB VAL 20 HB VAL 20 -2.592 6.672 -9.386 149 HG11 VAL 20 HG11 VAL 20 -3.533 8.486 -10.494 150 HG12 VAL 20 HG12 VAL 20 -4.709 7.184 -10.652 151 HG13 VAL 20 HG13 VAL 20 -3.670 7.606 -12.017 152 HG21 VAL 20 HG21 VAL 20 -2.962 4.796 -11.682 153 HG22 VAL 20 HG22 VAL 20 -4.232 5.043 -10.480 154 HG23 VAL 20 HG23 VAL 20 -2.647 4.442 -9.981 155 H SER 21 HN SER 21 0.144 6.489 -9.030 156 HA SER 21 HA SER 21 1.126 3.835 -9.840 157 HB2 SER 21 HB2 SER 21 3.046 4.617 -8.138 158 HB3 SER 21 HB1 SER 21 3.105 5.025 -9.852 159 HG SER 21 HG SER 21 2.608 7.059 -9.418 160 H PHE 22 HN PHE 22 1.599 2.380 -7.930 161 HA PHE 22 HA PHE 22 -0.306 3.020 -5.794 162 HB2 PHE 22 HB2 PHE 22 0.268 0.543 -7.279 163 HB3 PHE 22 HB1 PHE 22 0.099 0.321 -5.545 164 HD1 PHE 22 HD2 PHE 22 -2.033 0.725 -4.442 165 HD2 PHE 22 HD1 PHE 22 -1.634 1.216 -8.653 166 HE1 PHE 22 HE2 PHE 22 -4.482 0.715 -4.677 167 HE2 PHE 22 HE1 PHE 22 -4.099 1.194 -8.893 168 HZ PHE 22 HZ PHE 22 -5.511 0.947 -6.895 169 H HIS 23 HN HIS 23 0.199 2.103 -3.683 170 HA HIS 23 HA HIS 23 2.976 1.620 -2.943 171 HB2 HIS 23 HB2 HIS 23 1.912 3.682 -1.213 172 HB3 HIS 23 HB1 HIS 23 3.476 3.603 -1.990 173 HD1 HIS 23 HD1 HIS 23 -0.039 4.333 -3.119 174 HD2 HIS 23 HD2 HIS 23 3.811 5.810 -3.545 175 HE1 HIS 23 HE1 HIS 23 -0.290 6.359 -4.524 176 HE2 HIS 23 HE2 HIS 23 2.041 7.348 -4.645 177 H LYS 24 HN LYS 24 2.998 1.556 -0.391 178 HA LYS 24 HA LYS 24 0.459 0.287 0.408 179 HB2 LYS 24 HB2 LYS 24 3.297 -0.362 0.929 180 HB3 LYS 24 HB1 LYS 24 2.251 -0.467 2.337 181 HG2 LYS 24 HG2 LYS 24 0.956 -2.161 1.398 182 HG3 LYS 24 HG1 LYS 24 1.515 -1.807 -0.238 183 HD2 LYS 24 HD2 LYS 24 2.509 -3.865 0.628 184 HD3 LYS 24 HD1 LYS 24 3.735 -2.635 0.330 185 HE2 LYS 24 HE2 LYS 24 3.426 -2.061 2.830 186 HE3 LYS 24 HE1 LYS 24 2.658 -3.644 2.938 187 HZ1 LYS 24 HZ1 LYS 24 4.821 -4.380 1.701 188 HZ2 LYS 24 HZ2 LYS 24 4.817 -4.175 3.381 189 HZ3 LYS 24 HZ3 LYS 24 5.459 -2.968 2.390 190 H PHE 25 HN PHE 25 0.006 0.637 2.877 191 HA PHE 25 HA PHE 25 -0.118 3.387 3.482 192 HB2 PHE 25 HB2 PHE 25 -0.672 0.877 4.924 193 HB3 PHE 25 HB1 PHE 25 -0.169 2.193 5.961 194 HD1 PHE 25 HD2 PHE 25 -2.657 1.425 3.299 195 HD2 PHE 25 HD1 PHE 25 -1.749 3.680 6.779 196 HE1 PHE 25 HE2 PHE 25 -4.964 2.283 3.342 197 HE2 PHE 25 HE1 PHE 25 -4.058 4.509 6.842 198 HZ PHE 25 HZ PHE 25 -5.666 3.818 5.124 199 HA PRO 26 HA PRO 26 3.880 4.263 5.273 200 HB2 PRO 26 HB2 PRO 26 3.202 6.000 7.260 201 HB3 PRO 26 HB1 PRO 26 3.132 6.459 5.547 202 HG2 PRO 26 HG2 PRO 26 0.930 5.517 7.323 203 HG3 PRO 26 HG1 PRO 26 0.956 6.911 6.226 204 HD2 PRO 26 HD2 PRO 26 -0.205 4.632 5.492 205 HD3 PRO 26 HD1 PRO 26 0.735 5.587 4.331 206 H LEU 27 HN LEU 27 3.760 1.931 6.021 207 HA LEU 27 HA LEU 27 2.832 1.297 8.616 208 HB2 LEU 27 HB2 LEU 27 4.619 -0.039 6.623 209 HB3 LEU 27 HB1 LEU 27 4.391 -0.728 8.222 210 HG LEU 27 HG LEU 27 2.190 -0.165 6.213 211 HD11 LEU 27 HD11 LEU 27 3.211 -2.832 7.185 212 HD12 LEU 27 HD12 LEU 27 3.715 -2.083 5.668 213 HD13 LEU 27 HD13 LEU 27 2.025 -2.523 5.917 214 HD21 LEU 27 HD21 LEU 27 2.167 -1.286 9.000 215 HD22 LEU 27 HD22 LEU 27 0.837 -1.491 7.855 216 HD23 LEU 27 HD23 LEU 27 1.311 0.128 8.381 217 H THR 28 HN THR 28 5.664 2.715 7.407 218 HA THR 28 HA THR 28 7.129 2.248 9.862 219 HB THR 28 HB THR 28 9.032 3.200 8.672 220 HG1 THR 28 HG1 THR 28 8.160 3.522 6.211 221 HG21 THR 28 HG21 THR 28 9.039 1.634 6.682 222 HG22 THR 28 HG22 THR 28 7.366 1.235 7.101 223 HG23 THR 28 HG23 THR 28 8.673 0.883 8.239 224 H ARG 29 HN ARG 29 4.723 4.154 9.183 225 HA ARG 29 HA ARG 29 5.619 6.346 10.884 226 HB2 ARG 29 HB2 ARG 29 5.147 6.571 8.029 227 HB3 ARG 29 HB1 ARG 29 3.963 7.516 8.907 228 HG2 ARG 29 HG2 ARG 29 6.869 7.791 9.530 229 HG3 ARG 29 HG1 ARG 29 6.158 8.613 8.138 230 HD2 ARG 29 HD2 ARG 29 5.319 10.188 9.434 231 HD3 ARG 29 HD1 ARG 29 4.476 8.985 10.405 232 HE ARG 29 HE ARG 29 6.104 9.130 11.996 233 HH11 ARG 29 HH11 ARG 29 7.238 10.741 9.092 234 HH12 ARG 29 HH12 ARG 29 8.578 11.499 9.886 235 HH21 ARG 29 HH21 ARG 29 7.874 10.146 13.038 236 HH22 ARG 29 HH22 ARG 29 8.943 11.158 12.118 237 HA PRO 30 HA PRO 30 1.510 4.002 11.593 238 HB2 PRO 30 HB2 PRO 30 1.896 4.374 14.345 239 HB3 PRO 30 HB1 PRO 30 2.118 2.879 13.423 240 HG2 PRO 30 HG2 PRO 30 4.128 4.860 14.320 241 HG3 PRO 30 HG1 PRO 30 4.289 3.112 14.092 242 HD2 PRO 30 HD2 PRO 30 5.353 4.824 12.358 243 HD3 PRO 30 HD1 PRO 30 4.614 3.299 11.817 244 H SER 31 HN SER 31 2.536 6.678 13.806 245 HA SER 31 HA SER 31 -0.013 7.581 14.430 246 HB2 SER 31 HB2 SER 31 2.058 9.673 13.983 247 HB3 SER 31 HB1 SER 31 1.060 9.358 15.404 248 HG SER 31 HG SER 31 2.454 7.824 16.070 249 H LEU 32 HN LEU 32 2.073 8.558 11.755 250 HA LEU 32 HA LEU 32 0.224 10.328 10.565 251 HB2 LEU 32 HB2 LEU 32 2.611 10.458 10.143 252 HB3 LEU 32 HB1 LEU 32 2.627 8.838 9.489 253 HG LEU 32 HG LEU 32 2.747 10.924 7.927 254 HD11 LEU 32 HD11 LEU 32 1.763 9.642 6.145 255 HD12 LEU 32 HD12 LEU 32 0.986 8.588 7.328 256 HD13 LEU 32 HD13 LEU 32 2.748 8.627 7.205 257 HD21 LEU 32 HD21 LEU 32 -0.188 10.669 8.451 258 HD22 LEU 32 HD22 LEU 32 0.491 11.449 7.018 259 HD23 LEU 32 HD23 LEU 32 0.829 12.102 8.623 260 H CYS 33 HN CYS 33 0.815 6.888 10.379 261 HA CYS 33 HA CYS 33 -0.652 6.254 8.039 262 HB2 CYS 33 HB2 CYS 33 0.924 4.737 9.269 263 HB3 CYS 33 HB1 CYS 33 -0.248 4.656 10.589 264 HG CYS 33 HG CYS 33 0.060 2.519 8.323 265 H LYS 34 HN LYS 34 -1.386 6.783 11.342 266 HA LYS 34 HA LYS 34 -4.005 5.757 11.386 267 HB2 LYS 34 HB2 LYS 34 -2.966 5.791 13.412 268 HB3 LYS 34 HB1 LYS 34 -2.225 7.353 13.130 269 HG2 LYS 34 HG2 LYS 34 -4.845 8.039 13.216 270 HG3 LYS 34 HG1 LYS 34 -4.779 6.698 14.371 271 HD2 LYS 34 HD2 LYS 34 -2.555 7.984 15.101 272 HD3 LYS 34 HD1 LYS 34 -3.483 9.356 14.473 273 HE2 LYS 34 HE2 LYS 34 -3.837 9.008 16.892 274 HE3 LYS 34 HE1 LYS 34 -5.321 8.858 15.953 275 HZ1 LYS 34 HZ1 LYS 34 -5.025 7.125 17.680 276 HZ2 LYS 34 HZ2 LYS 34 -3.686 6.539 16.830 277 HZ3 LYS 34 HZ3 LYS 34 -5.220 6.494 16.124 278 H GLU 35 HN GLU 35 -2.741 8.981 10.511 279 HA GLU 35 HA GLU 35 -5.380 10.107 10.889 280 HB2 GLU 35 HB2 GLU 35 -4.359 11.940 9.272 281 HB3 GLU 35 HB1 GLU 35 -4.051 11.921 10.988 282 HG2 GLU 35 HG2 GLU 35 -2.005 10.458 10.306 283 HG3 GLU 35 HG1 GLU 35 -2.254 11.241 8.747 284 H TRP 36 HN TRP 36 -3.817 8.252 8.490 285 HA TRP 36 HA TRP 36 -5.300 9.172 6.270 286 HB2 TRP 36 HB2 TRP 36 -4.095 6.447 6.823 287 HB3 TRP 36 HB1 TRP 36 -4.816 6.916 5.284 288 HD1 TRP 36 HD1 TRP 36 -2.639 9.394 7.208 289 HE1 TRP 36 HE1 TRP 36 -0.498 9.848 5.868 290 HE3 TRP 36 HE3 TRP 36 -3.199 5.840 3.560 291 HZ2 TRP 36 HZ2 TRP 36 0.807 8.816 3.593 292 HZ3 TRP 36 HZ3 TRP 36 -1.454 5.651 1.831 293 HH2 TRP 36 HH2 TRP 36 0.518 7.102 1.855 294 H GLU 37 HN GLU 37 -5.972 7.135 8.994 295 HA GLU 37 HA GLU 37 -8.338 5.900 8.032 296 HB2 GLU 37 HB2 GLU 37 -7.884 6.689 10.910 297 HB3 GLU 37 HB1 GLU 37 -8.780 5.310 10.285 298 HG2 GLU 37 HG2 GLU 37 -5.863 5.454 9.732 299 HG3 GLU 37 HG1 GLU 37 -6.398 5.082 11.365 300 H ALA 38 HN ALA 38 -7.563 8.978 9.462 301 HA ALA 38 HA ALA 38 -10.146 9.886 10.090 302 HB1 ALA 38 HB1 ALA 38 -9.137 12.095 10.244 303 HB2 ALA 38 HB2 ALA 38 -7.687 11.501 9.433 304 HB3 ALA 38 HB3 ALA 38 -8.120 10.890 11.030 305 H ALA 39 HN ALA 39 -8.374 9.642 7.144 306 HA ALA 39 HA ALA 39 -10.056 11.537 5.733 307 HB1 ALA 39 HB1 ALA 39 -7.956 9.638 4.689 308 HB2 ALA 39 HB2 ALA 39 -7.693 11.323 5.139 309 HB3 ALA 39 HB3 ALA 39 -8.738 10.929 3.774 310 H VAL 40 HN VAL 40 -9.926 8.163 6.443 311 HA VAL 40 HA VAL 40 -11.843 7.440 4.353 312 HB VAL 40 HB VAL 40 -11.072 5.553 6.516 313 HG11 VAL 40 HG11 VAL 40 -11.330 5.231 3.539 314 HG12 VAL 40 HG12 VAL 40 -12.620 4.931 4.706 315 HG13 VAL 40 HG13 VAL 40 -11.163 3.936 4.722 316 HG21 VAL 40 HG21 VAL 40 -8.963 4.976 5.521 317 HG22 VAL 40 HG22 VAL 40 -8.947 6.700 5.894 318 HG23 VAL 40 HG23 VAL 40 -9.203 6.157 4.234 319 H ARG 41 HN ARG 41 -12.804 9.304 5.917 320 HA ARG 41 HA ARG 41 -14.176 8.680 8.258 321 HB2 ARG 41 HB2 ARG 41 -15.210 10.783 8.061 322 HB3 ARG 41 HB1 ARG 41 -13.644 10.967 7.284 323 HG2 ARG 41 HG2 ARG 41 -16.161 10.396 5.729 324 HG3 ARG 41 HG1 ARG 41 -15.641 12.032 6.127 325 HD2 ARG 41 HD2 ARG 41 -13.408 11.362 5.045 326 HD3 ARG 41 HD1 ARG 41 -14.304 10.004 4.365 327 HE ARG 41 HE ARG 41 -15.830 12.123 3.682 328 HH11 ARG 41 HH11 ARG 41 -12.415 11.436 3.309 329 HH12 ARG 41 HH12 ARG 41 -12.245 12.414 1.888 330 HH21 ARG 41 HH21 ARG 41 -15.625 13.392 1.806 331 HH22 ARG 41 HH22 ARG 41 -14.084 13.534 1.019 332 H ARG 42 HN ARG 42 -14.789 6.879 5.765 333 HA ARG 42 HA ARG 42 -17.703 7.162 5.919 334 HB2 ARG 42 HB2 ARG 42 -15.984 6.798 3.711 335 HB3 ARG 42 HB1 ARG 42 -16.941 5.331 3.869 336 HG2 ARG 42 HG2 ARG 42 -18.009 6.971 2.398 337 HG3 ARG 42 HG1 ARG 42 -18.991 6.626 3.826 338 HD2 ARG 42 HD2 ARG 42 -17.576 8.716 4.745 339 HD3 ARG 42 HD1 ARG 42 -17.591 9.109 3.031 340 HE ARG 42 HE ARG 42 -20.011 9.115 3.120 341 HH11 ARG 42 HH11 ARG 42 -18.354 9.143 6.223 342 HH12 ARG 42 HH12 ARG 42 -19.698 9.835 7.070 343 HH21 ARG 42 HH21 ARG 42 -21.776 10.009 4.239 344 HH22 ARG 42 HH22 ARG 42 -21.656 10.323 5.942 345 H LYS 43 HN LYS 43 -19.001 5.241 6.000 346 HA LYS 43 HA LYS 43 -18.243 3.481 8.051 347 HB2 LYS 43 HB2 LYS 43 -20.446 3.078 8.050 348 HB3 LYS 43 HB1 LYS 43 -20.596 4.086 6.620 349 HG2 LYS 43 HG2 LYS 43 -19.882 1.819 5.421 350 HG3 LYS 43 HG1 LYS 43 -20.599 1.131 6.878 351 HD2 LYS 43 HD2 LYS 43 -22.693 2.134 6.433 352 HD3 LYS 43 HD1 LYS 43 -22.008 3.176 5.184 353 HE2 LYS 43 HE2 LYS 43 -22.953 1.575 3.859 354 HE3 LYS 43 HE1 LYS 43 -21.367 0.851 4.101 355 HZ1 LYS 43 HZ1 LYS 43 -23.023 -0.799 4.452 356 HZ2 LYS 43 HZ2 LYS 43 -23.873 0.183 5.531 357 HZ3 LYS 43 HZ3 LYS 43 -22.357 -0.428 5.963 358 H ASN 44 HN ASN 44 -18.111 3.218 4.563 359 HA ASN 44 HA ASN 44 -17.333 0.440 4.697 360 HB2 ASN 44 HB2 ASN 44 -17.005 0.841 2.145 361 HB3 ASN 44 HB1 ASN 44 -18.631 0.777 2.814 362 HD21 ASN 44 HD21 ASN 44 -19.398 1.927 1.035 363 HD22 ASN 44 HD22 ASN 44 -19.162 3.632 0.893 364 H PHE 45 HN PHE 45 -15.546 1.312 6.155 365 HA PHE 45 HA PHE 45 -13.278 2.560 5.028 366 HB2 PHE 45 HB2 PHE 45 -13.786 2.303 7.504 367 HB3 PHE 45 HB1 PHE 45 -13.301 0.619 7.360 368 HD1 PHE 45 HD1 PHE 45 -10.936 0.174 6.471 369 HD2 PHE 45 HD2 PHE 45 -12.177 3.938 8.007 370 HE1 PHE 45 HE1 PHE 45 -8.595 0.778 6.837 371 HE2 PHE 45 HE2 PHE 45 -9.837 4.562 8.372 372 HZ PHE 45 HZ PHE 45 -8.033 2.984 7.789 373 H LYS 46 HN LYS 46 -11.950 1.805 3.582 374 HA LYS 46 HA LYS 46 -12.104 -0.833 2.541 375 HB2 LYS 46 HB2 LYS 46 -10.968 1.702 1.840 376 HB3 LYS 46 HB1 LYS 46 -9.787 0.425 1.576 377 HG2 LYS 46 HG2 LYS 46 -10.820 -0.163 -0.289 378 HG3 LYS 46 HG1 LYS 46 -12.276 -0.514 0.634 379 HD2 LYS 46 HD2 LYS 46 -12.358 2.215 0.469 380 HD3 LYS 46 HD1 LYS 46 -11.670 1.764 -1.091 381 HE2 LYS 46 HE2 LYS 46 -14.309 0.981 0.096 382 HE3 LYS 46 HE1 LYS 46 -13.984 1.770 -1.447 383 HZ1 LYS 46 HZ1 LYS 46 -13.346 -1.040 -0.743 384 HZ2 LYS 46 HZ2 LYS 46 -12.926 -0.296 -2.202 385 HZ3 LYS 46 HZ3 LYS 46 -14.558 -0.523 -1.804 386 HA PRO 47 HA PRO 47 -8.928 -3.246 4.382 387 HB2 PRO 47 HB2 PRO 47 -6.952 -2.752 2.213 388 HB3 PRO 47 HB1 PRO 47 -7.521 -4.284 2.907 389 HG2 PRO 47 HG2 PRO 47 -8.379 -3.505 0.527 390 HG3 PRO 47 HG1 PRO 47 -9.489 -4.268 1.685 391 HD2 PRO 47 HD2 PRO 47 -9.215 -1.383 0.959 392 HD3 PRO 47 HD1 PRO 47 -10.680 -2.311 1.295 393 H THR 48 HN THR 48 -6.917 -3.259 5.441 394 HA THR 48 HA THR 48 -6.380 -0.711 6.599 395 HB THR 48 HB THR 48 -5.152 -1.923 8.238 396 HG1 THR 48 HG1 THR 48 -4.670 -4.159 7.906 397 HG21 THR 48 HG21 THR 48 -6.845 -3.281 9.034 398 HG22 THR 48 HG22 THR 48 -7.262 -3.849 7.414 399 HG23 THR 48 HG23 THR 48 -7.702 -2.215 7.919 400 H LYS 49 HN LYS 49 -3.932 -0.748 7.420 401 HA LYS 49 HA LYS 49 -2.461 0.437 5.423 402 HB2 LYS 49 HB2 LYS 49 -0.518 -0.077 7.121 403 HB3 LYS 49 HB1 LYS 49 -1.770 1.097 7.478 404 HG2 LYS 49 HG2 LYS 49 -2.699 -1.407 8.394 405 HG3 LYS 49 HG1 LYS 49 -1.031 -1.217 8.941 406 HD2 LYS 49 HD2 LYS 49 -2.218 -0.184 10.640 407 HD3 LYS 49 HD1 LYS 49 -1.787 1.176 9.596 408 HE2 LYS 49 HE2 LYS 49 -4.006 0.987 8.517 409 HE3 LYS 49 HE1 LYS 49 -4.428 -0.273 9.674 410 HZ1 LYS 49 HZ1 LYS 49 -5.098 2.170 10.114 411 HZ2 LYS 49 HZ2 LYS 49 -3.501 2.329 10.662 412 HZ3 LYS 49 HZ3 LYS 49 -4.534 1.208 11.395 413 H TYR 50 HN TYR 50 -2.933 -2.897 5.713 414 HA TYR 50 HA TYR 50 -0.293 -3.549 4.726 415 HB2 TYR 50 HB2 TYR 50 -2.774 -5.154 5.162 416 HB3 TYR 50 HB1 TYR 50 -1.334 -5.829 4.427 417 HD1 TYR 50 HD1 TYR 50 0.844 -5.655 5.778 418 HD2 TYR 50 HD2 TYR 50 -3.024 -5.159 7.472 419 HE1 TYR 50 HE1 TYR 50 1.751 -6.256 7.975 420 HE2 TYR 50 HE2 TYR 50 -2.121 -5.756 9.696 421 HH TYR 50 HH TYR 50 0.015 -7.297 10.420 422 H SER 51 HN SER 51 -3.471 -2.844 3.448 423 HA SER 51 HA SER 51 -2.935 -3.945 0.856 424 HB2 SER 51 HB2 SER 51 -4.946 -2.488 0.196 425 HB3 SER 51 HB1 SER 51 -5.215 -3.814 1.328 426 HG SER 51 HG SER 51 -5.326 -2.386 2.985 427 H SER 52 HN SER 52 -3.208 -2.284 -1.085 428 HA SER 52 HA SER 52 -1.156 -0.267 -0.580 429 HB2 SER 52 HB2 SER 52 -1.057 -0.633 -3.257 430 HB3 SER 52 HB1 SER 52 -0.084 -1.522 -2.090 431 HG SER 52 HG SER 52 -1.112 -3.301 -2.623 432 H ILE 53 HN ILE 53 -1.283 1.766 -1.444 433 HA ILE 53 HA ILE 53 -3.992 2.643 -2.227 434 HB ILE 53 HB ILE 53 -1.846 4.179 -0.722 435 HG12 ILE 53 HG12 ILE 53 -3.728 4.127 1.077 436 HG13 ILE 53 HG11 ILE 53 -4.335 2.748 0.172 437 HG21 ILE 53 HG21 ILE 53 -3.101 5.741 -2.010 438 HG22 ILE 53 HG22 ILE 53 -3.657 5.845 -0.332 439 HG23 ILE 53 HG23 ILE 53 -4.629 4.987 -1.526 440 HD11 ILE 53 HD11 ILE 53 -1.656 2.174 0.515 441 HD12 ILE 53 HD12 ILE 53 -2.999 1.510 1.445 442 HD13 ILE 53 HD13 ILE 53 -2.128 2.922 2.044 443 H CYS 54 HN CYS 54 -3.920 4.716 -3.659 444 HA CYS 54 HA CYS 54 -1.621 4.470 -5.454 445 HB2 CYS 54 HB2 CYS 54 -3.046 4.964 -7.323 446 HB3 CYS 54 HB1 CYS 54 -3.713 3.630 -6.414 447 H SER 55 HN SER 55 -1.062 6.330 -6.727 448 HA SER 55 HA SER 55 -0.090 8.403 -5.247 449 HB2 SER 55 HB2 SER 55 0.271 9.512 -7.492 450 HB3 SER 55 HB1 SER 55 0.869 7.861 -7.331 451 HG SER 55 HG SER 55 -0.982 8.858 -9.025 452 H GLU 56 HN GLU 56 -2.785 8.818 -7.508 453 HA GLU 56 HA GLU 56 -3.382 11.419 -7.379 454 HB2 GLU 56 HB2 GLU 56 -5.883 10.469 -7.388 455 HB3 GLU 56 HB1 GLU 56 -4.796 10.326 -8.769 456 HG2 GLU 56 HG2 GLU 56 -4.436 8.097 -8.426 457 HG3 GLU 56 HG1 GLU 56 -4.733 8.199 -6.706 458 H HIS 57 HN HIS 57 -3.636 9.398 -4.616 459 HA HIS 57 HA HIS 57 -5.634 11.065 -3.342 460 HB2 HIS 57 HB2 HIS 57 -4.083 8.685 -2.328 461 HB3 HIS 57 HB1 HIS 57 -5.350 9.517 -1.420 462 HD1 HIS 57 HD1 HIS 57 -7.635 9.784 -3.231 463 HD2 HIS 57 HD2 HIS 57 -5.099 6.503 -3.461 464 HE1 HIS 57 HE1 HIS 57 -8.939 7.967 -4.412 465 H PHE 58 HN PHE 58 -2.195 11.157 -3.540 466 HA PHE 58 HA PHE 58 -2.238 13.117 -1.347 467 HB2 PHE 58 HB2 PHE 58 0.392 12.008 -1.450 468 HB3 PHE 58 HB1 PHE 58 -0.749 12.011 -0.098 469 HD1 PHE 58 HD1 PHE 58 0.464 10.169 -2.996 470 HD2 PHE 58 HD2 PHE 58 -1.919 10.036 0.507 471 HE1 PHE 58 HE1 PHE 58 0.340 7.740 -3.190 472 HE2 PHE 58 HE2 PHE 58 -2.064 7.588 0.329 473 HZ PHE 58 HZ PHE 58 -0.926 6.430 -1.524 474 H THR 59 HN THR 59 -0.212 14.440 -1.366 475 HA THR 59 HA THR 59 0.138 15.551 -4.001 476 HB THR 59 HB THR 59 1.773 17.038 -2.566 477 HG1 THR 59 HG1 THR 59 0.697 17.050 -0.349 478 HG21 THR 59 HG21 THR 59 -1.230 17.033 -2.432 479 HG22 THR 59 HG22 THR 59 -0.178 17.973 -3.493 480 HG23 THR 59 HG23 THR 59 -0.244 18.340 -1.771 481 HA PRO 60 HA PRO 60 3.776 13.502 -5.359 482 HB2 PRO 60 HB2 PRO 60 5.191 15.891 -5.976 483 HB3 PRO 60 HB1 PRO 60 4.166 14.957 -7.081 484 HG2 PRO 60 HG2 PRO 60 3.485 17.360 -5.471 485 HG3 PRO 60 HG1 PRO 60 2.965 16.905 -7.104 486 HD2 PRO 60 HD2 PRO 60 1.295 16.635 -5.087 487 HD3 PRO 60 HD1 PRO 60 1.432 15.342 -6.297 488 H ASP 61 HN ASP 61 4.043 16.296 -3.276 489 HA ASP 61 HA ASP 61 6.683 15.972 -2.370 490 HB2 ASP 61 HB2 ASP 61 4.347 16.940 -0.713 491 HB3 ASP 61 HB1 ASP 61 6.047 17.283 -0.427 492 H SER 62 HN SER 62 3.655 14.642 -1.211 493 HA SER 62 HA SER 62 4.979 13.140 0.887 494 HB2 SER 62 HB2 SER 62 2.600 14.417 0.819 495 HB3 SER 62 HB1 SER 62 2.090 12.772 0.431 496 HG SER 62 HG SER 62 2.469 12.210 2.416 497 H PHE 63 HN PHE 63 4.498 12.663 -2.282 498 HA PHE 63 HA PHE 63 3.181 10.399 -2.793 499 HB2 PHE 63 HB2 PHE 63 5.572 11.546 -4.014 500 HB3 PHE 63 HB1 PHE 63 5.340 9.837 -4.300 501 HD1 PHE 63 HD2 PHE 63 2.160 10.252 -4.141 502 HD2 PHE 63 HD1 PHE 63 5.336 11.940 -6.420 503 HE1 PHE 63 HE2 PHE 63 0.591 10.746 -5.936 504 HE2 PHE 63 HE1 PHE 63 3.755 12.437 -8.239 505 HZ PHE 63 HZ PHE 63 1.379 11.837 -7.997 506 H LYS 64 HN LYS 64 6.596 10.211 -1.588 507 HA LYS 64 HA LYS 64 6.112 7.808 -0.191 508 HB2 LYS 64 HB2 LYS 64 7.297 6.179 -1.645 509 HB3 LYS 64 HB1 LYS 64 5.793 6.764 -2.332 510 HG2 LYS 64 HG2 LYS 64 6.985 8.242 -3.821 511 HG3 LYS 64 HG1 LYS 64 8.520 7.793 -3.074 512 HD2 LYS 64 HD2 LYS 64 8.451 6.494 -5.007 513 HD3 LYS 64 HD1 LYS 64 7.902 5.387 -3.749 514 HE2 LYS 64 HE2 LYS 64 5.541 6.372 -4.478 515 HE3 LYS 64 HE1 LYS 64 6.409 6.625 -5.990 516 HZ1 LYS 64 HZ1 LYS 64 7.051 4.240 -5.887 517 HZ2 LYS 64 HZ2 LYS 64 5.393 4.491 -6.076 518 HZ3 LYS 64 HZ3 LYS 64 6.010 4.050 -4.562 519 H ARG 65 HN ARG 65 8.737 6.583 -0.997 520 HA ARG 65 HA ARG 65 10.360 7.708 0.979 521 HB2 ARG 65 HB2 ARG 65 12.191 6.325 -0.061 522 HB3 ARG 65 HB1 ARG 65 10.746 5.446 0.404 523 HG2 ARG 65 HG2 ARG 65 10.080 5.825 -2.106 524 HG3 ARG 65 HG1 ARG 65 11.820 6.040 -2.311 525 HD2 ARG 65 HD2 ARG 65 11.277 3.744 -0.661 526 HD3 ARG 65 HD1 ARG 65 10.392 3.627 -2.178 527 HE ARG 65 HE ARG 65 12.878 4.273 -3.003 528 HH11 ARG 65 HH11 ARG 65 11.678 1.803 -0.826 529 HH12 ARG 65 HH12 ARG 65 12.947 0.677 -1.183 530 HH21 ARG 65 HH21 ARG 65 14.553 2.803 -3.500 531 HH22 ARG 65 HH22 ARG 65 14.609 1.246 -2.725 532 H GLU 66 HN GLU 66 9.791 8.799 -2.151 533 HA GLU 66 HA GLU 66 12.321 10.117 -2.552 534 HB2 GLU 66 HB2 GLU 66 10.141 9.382 -4.183 535 HB3 GLU 66 HB1 GLU 66 10.188 11.140 -4.210 536 HG2 GLU 66 HG2 GLU 66 12.428 11.135 -5.011 537 HG3 GLU 66 HG1 GLU 66 12.566 9.393 -4.780 538 H SER 67 HN SER 67 9.993 10.633 -0.429 539 HA SER 67 HA SER 67 9.376 13.383 -0.743 540 HB2 SER 67 HB2 SER 67 7.890 11.883 0.444 541 HB3 SER 67 HB1 SER 67 9.118 11.528 1.640 542 HG SER 67 HG SER 67 7.720 13.947 1.177 543 H ASN 68 HN ASN 68 10.246 13.086 2.475 544 HA ASN 68 HA ASN 68 12.471 14.895 2.037 545 HB2 ASN 68 HB2 ASN 68 10.676 14.292 4.317 546 HB3 ASN 68 HB1 ASN 68 12.307 14.836 4.713 547 HD21 ASN 68 HD21 ASN 68 13.011 16.874 3.758 548 HD22 ASN 68 HD22 ASN 68 11.836 18.098 3.440 549 H ASN 69 HN ASN 69 12.151 12.353 4.531 550 HA ASN 69 HA ASN 69 15.020 11.926 4.315 551 HB2 ASN 69 HB2 ASN 69 14.159 12.103 6.558 552 HB3 ASN 69 HB1 ASN 69 12.969 10.845 6.247 553 HD21 ASN 69 HD21 ASN 69 13.602 9.372 7.729 554 HD22 ASN 69 HD22 ASN 69 15.136 8.566 7.698 555 H LYS 70 HN LYS 70 12.363 9.591 4.751 556 HA LYS 70 HA LYS 70 13.323 8.093 2.454 557 HB2 LYS 70 HB2 LYS 70 14.453 7.402 4.737 558 HB3 LYS 70 HB1 LYS 70 12.931 6.570 5.006 559 HG2 LYS 70 HG2 LYS 70 14.610 5.072 4.071 560 HG3 LYS 70 HG1 LYS 70 13.254 5.280 2.965 561 HD2 LYS 70 HD2 LYS 70 15.305 5.345 1.706 562 HD3 LYS 70 HD1 LYS 70 14.597 6.956 1.714 563 HE2 LYS 70 HE2 LYS 70 16.154 7.233 3.838 564 HE3 LYS 70 HE1 LYS 70 17.061 5.950 3.044 565 HZ1 LYS 70 HZ1 LYS 70 17.838 8.170 2.428 566 HZ2 LYS 70 HZ2 LYS 70 16.316 8.537 1.795 567 HZ3 LYS 70 HZ3 LYS 70 17.255 7.324 1.084 568 H LEU 71 HN LEU 71 10.842 9.417 4.053 569 HA LEU 71 HA LEU 71 8.922 7.787 2.662 570 HB2 LEU 71 HB2 LEU 71 9.415 7.348 5.418 571 HB3 LEU 71 HB1 LEU 71 7.858 8.140 5.290 572 HG LEU 71 HG LEU 71 8.584 5.391 4.734 573 HD11 LEU 71 HD11 LEU 71 6.091 5.173 4.811 574 HD12 LEU 71 HD12 LEU 71 6.016 6.921 5.017 575 HD13 LEU 71 HD13 LEU 71 6.822 5.929 6.231 576 HD21 LEU 71 HD21 LEU 71 8.630 5.913 2.417 577 HD22 LEU 71 HD22 LEU 71 7.195 6.934 2.547 578 HD23 LEU 71 HD23 LEU 71 7.057 5.185 2.743 579 H LEU 72 HN LEU 72 6.614 8.698 3.400 580 HA LEU 72 HA LEU 72 6.448 11.287 2.356 581 HB2 LEU 72 HB2 LEU 72 4.200 10.628 4.061 582 HB3 LEU 72 HB1 LEU 72 4.242 10.920 2.330 583 HG LEU 72 HG LEU 72 5.276 8.407 2.416 584 HD11 LEU 72 HD11 LEU 72 4.283 7.083 4.042 585 HD12 LEU 72 HD12 LEU 72 3.111 8.325 4.477 586 HD13 LEU 72 HD13 LEU 72 4.806 8.511 4.939 587 HD21 LEU 72 HD21 LEU 72 3.485 9.104 0.958 588 HD22 LEU 72 HD22 LEU 72 2.371 9.203 2.321 589 HD23 LEU 72 HD23 LEU 72 3.005 7.638 1.816 590 H LYS 73 HN LYS 73 5.259 13.066 3.439 591 HA LYS 73 HA LYS 73 6.706 13.853 5.782 592 HB2 LYS 73 HB2 LYS 73 4.729 15.751 5.482 593 HB3 LYS 73 HB1 LYS 73 6.345 15.850 4.820 594 HG2 LYS 73 HG2 LYS 73 4.131 14.553 3.284 595 HG3 LYS 73 HG1 LYS 73 4.344 16.302 3.291 596 HD2 LYS 73 HD2 LYS 73 6.361 14.249 2.406 597 HD3 LYS 73 HD1 LYS 73 5.452 15.344 1.367 598 HE2 LYS 73 HE2 LYS 73 7.565 16.053 3.390 599 HE3 LYS 73 HE1 LYS 73 7.657 16.208 1.637 600 HZ1 LYS 73 HZ1 LYS 73 6.078 17.951 1.664 601 HZ2 LYS 73 HZ2 LYS 73 7.201 18.317 2.871 602 HZ3 LYS 73 HZ3 LYS 73 5.687 17.695 3.288 603 H GLU 74 HN GLU 74 6.135 13.451 7.728 604 HA GLU 74 HA GLU 74 3.930 12.010 8.551 605 HB2 GLU 74 HB2 GLU 74 4.614 12.374 10.747 606 HB3 GLU 74 HB1 GLU 74 6.095 12.454 9.816 607 HG2 GLU 74 HG2 GLU 74 4.516 14.816 10.787 608 HG3 GLU 74 HG1 GLU 74 5.943 14.156 11.580 609 H ASN 75 HN ASN 75 4.152 15.309 7.808 610 HA ASN 75 HA ASN 75 1.684 15.980 9.220 611 HB2 ASN 75 HB2 ASN 75 4.014 17.458 8.309 612 HB3 ASN 75 HB1 ASN 75 2.502 18.234 7.852 613 HD21 ASN 75 HD21 ASN 75 3.028 16.233 10.678 614 HD22 ASN 75 HD22 ASN 75 2.756 17.478 11.839 615 H ALA 76 HN ALA 76 2.087 14.389 6.600 616 HA ALA 76 HA ALA 76 -0.028 15.829 5.140 617 HB1 ALA 76 HB1 ALA 76 2.101 14.258 3.710 618 HB2 ALA 76 HB2 ALA 76 2.264 15.981 4.048 619 HB3 ALA 76 HB3 ALA 76 0.940 15.405 3.037 620 H VAL 77 HN VAL 77 -1.761 14.740 4.756 621 HA VAL 77 HA VAL 77 -1.653 11.817 4.607 622 HB VAL 77 HB VAL 77 -2.451 11.987 6.765 623 HG11 VAL 77 HG11 VAL 77 -3.812 13.660 7.710 624 HG12 VAL 77 HG12 VAL 77 -4.244 14.302 6.120 625 HG13 VAL 77 HG13 VAL 77 -2.597 14.482 6.727 626 HG21 VAL 77 HG21 VAL 77 -4.922 12.106 5.047 627 HG22 VAL 77 HG22 VAL 77 -4.919 11.643 6.748 628 HG23 VAL 77 HG23 VAL 77 -4.051 10.665 5.566 629 HA PRO 78 HA PRO 78 -3.740 12.231 0.745 630 HB2 PRO 78 HB2 PRO 78 -5.416 9.996 1.089 631 HB3 PRO 78 HB1 PRO 78 -3.786 9.978 0.390 632 HG2 PRO 78 HG2 PRO 78 -4.661 9.333 3.144 633 HG3 PRO 78 HG1 PRO 78 -3.380 8.603 2.151 634 HD2 PRO 78 HD2 PRO 78 -2.765 10.272 4.118 635 HD3 PRO 78 HD1 PRO 78 -1.882 10.327 2.581 636 H THR 79 HN THR 79 -4.984 14.042 0.902 637 HA THR 79 HA THR 79 -7.639 13.780 2.110 638 HB THR 79 HB THR 79 -6.135 15.732 2.704 639 HG1 THR 79 HG1 THR 79 -8.790 15.866 1.826 640 HG21 THR 79 HG21 THR 79 -6.903 16.668 -0.065 641 HG22 THR 79 HG22 THR 79 -5.280 16.194 0.439 642 HG23 THR 79 HG23 THR 79 -6.046 17.615 1.152 643 H ILE 80 HN ILE 80 -6.034 13.726 -0.838 644 HA ILE 80 HA ILE 80 -8.072 14.824 -2.517 645 HB ILE 80 HB ILE 80 -6.075 12.927 -3.643 646 HG12 ILE 80 HG12 ILE 80 -5.165 14.745 -1.802 647 HG13 ILE 80 HG11 ILE 80 -4.212 14.086 -3.119 648 HG21 ILE 80 HG21 ILE 80 -5.992 14.690 -5.398 649 HG22 ILE 80 HG22 ILE 80 -7.225 15.575 -4.498 650 HG23 ILE 80 HG23 ILE 80 -7.587 13.978 -5.155 651 HD11 ILE 80 HD11 ILE 80 -5.675 16.717 -3.087 652 HD12 ILE 80 HD12 ILE 80 -4.842 16.048 -4.490 653 HD13 ILE 80 HD13 ILE 80 -3.930 16.463 -3.038 654 H PHE 81 HN PHE 81 -8.268 12.207 -0.684 655 HA PHE 81 HA PHE 81 -8.907 9.958 -2.074 656 HB2 PHE 81 HB2 PHE 81 -10.046 11.158 0.408 657 HB3 PHE 81 HB1 PHE 81 -10.819 9.737 -0.274 658 HD1 PHE 81 HD2 PHE 81 -7.490 9.363 -1.139 659 HD2 PHE 81 HD1 PHE 81 -10.036 9.231 2.271 660 HE1 PHE 81 HE2 PHE 81 -5.874 7.921 0.009 661 HE2 PHE 81 HE1 PHE 81 -8.413 7.788 3.421 662 HZ PHE 81 HZ PHE 81 -6.328 7.138 2.291 663 H LEU 82 HN LEU 82 -11.238 12.560 -1.356 664 HA LEU 82 HA LEU 82 -12.562 12.324 -3.849 665 HB2 LEU 82 HB2 LEU 82 -13.366 10.476 -1.852 666 HB3 LEU 82 HB1 LEU 82 -14.635 11.668 -1.974 667 HG LEU 82 HG LEU 82 -14.348 9.387 -3.521 668 HD11 LEU 82 HD11 LEU 82 -16.429 10.508 -3.008 669 HD12 LEU 82 HD12 LEU 82 -16.276 10.253 -4.746 670 HD13 LEU 82 HD13 LEU 82 -15.991 11.852 -4.062 671 HD21 LEU 82 HD21 LEU 82 -13.796 11.748 -5.311 672 HD22 LEU 82 HD22 LEU 82 -13.981 10.061 -5.779 673 HD23 LEU 82 HD23 LEU 82 -12.583 10.558 -4.830 674 H GLU 83 HN GLU 83 -14.395 13.787 -3.968 675 HA GLU 83 HA GLU 83 -13.954 16.185 -2.541 676 HB2 GLU 83 HB2 GLU 83 -14.895 15.935 -4.890 677 HB3 GLU 83 HB1 GLU 83 -16.417 15.488 -4.138 678 HG2 GLU 83 HG2 GLU 83 -16.571 17.774 -4.683 679 HG3 GLU 83 HG1 GLU 83 -16.364 17.678 -2.936 680 H LEU 84 HN LEU 84 -16.948 14.223 -2.656 681 HA LEU 84 HA LEU 84 -17.201 14.489 0.232 682 HB2 LEU 84 HB2 LEU 84 -18.442 16.345 -1.294 683 HB3 LEU 84 HB1 LEU 84 -19.681 15.108 -1.271 684 HG LEU 84 HG LEU 84 -20.016 16.815 0.472 685 HD11 LEU 84 HD11 LEU 84 -20.281 15.277 2.387 686 HD12 LEU 84 HD12 LEU 84 -19.373 14.056 1.494 687 HD13 LEU 84 HD13 LEU 84 -20.924 14.630 0.880 688 HD21 LEU 84 HD21 LEU 84 -18.533 17.147 2.264 689 HD22 LEU 84 HD22 LEU 84 -17.537 17.193 0.811 690 HD23 LEU 84 HD23 LEU 84 -17.555 15.749 1.823 691 H VAL 85 HN VAL 85 -19.345 13.533 -2.458 692 HA VAL 85 HA VAL 85 -19.171 10.762 -1.728 693 HB VAL 85 HB VAL 85 -20.763 11.385 -0.070 694 HG11 VAL 85 HG11 VAL 85 -22.290 12.788 -2.259 695 HG12 VAL 85 HG12 VAL 85 -21.456 13.539 -0.899 696 HG13 VAL 85 HG13 VAL 85 -22.881 12.540 -0.614 697 HG21 VAL 85 HG21 VAL 85 -22.797 10.164 -0.780 698 HG22 VAL 85 HG22 VAL 85 -21.301 9.305 -1.145 699 HG23 VAL 85 HG23 VAL 85 -22.169 10.149 -2.427 700 HA PRO 86 HA PRO 86 -19.871 10.534 -6.125 701 HB2 PRO 86 HB2 PRO 86 -20.606 7.725 -5.609 702 HB3 PRO 86 HB1 PRO 86 -19.270 8.375 -6.575 703 HG2 PRO 86 HG2 PRO 86 -18.853 7.161 -4.233 704 HG3 PRO 86 HG1 PRO 86 -17.854 8.516 -4.792 705 HD2 PRO 86 HD2 PRO 86 -20.039 8.503 -2.761 706 HD3 PRO 86 HD1 PRO 86 -18.510 9.397 -2.771 707 H ARG 87 HN ARG 87 -21.558 10.123 -7.629 708 HA ARG 87 HA ARG 87 -24.228 9.816 -6.434 709 HB2 ARG 87 HB2 ARG 87 -25.035 11.504 -8.110 710 HB3 ARG 87 HB1 ARG 87 -23.975 12.163 -6.872 711 HG2 ARG 87 HG2 ARG 87 -23.025 13.155 -8.675 712 HG3 ARG 87 HG1 ARG 87 -22.142 11.629 -8.740 713 HD2 ARG 87 HD2 ARG 87 -22.877 11.953 -10.936 714 HD3 ARG 87 HD1 ARG 87 -24.038 10.813 -10.258 715 HE ARG 87 HE ARG 87 -24.512 13.664 -10.790 716 HH11 ARG 87 HH11 ARG 87 -25.762 10.495 -9.926 717 HH12 ARG 87 HH12 ARG 87 -27.418 10.942 -10.221 718 HH21 ARG 87 HH21 ARG 87 -26.686 14.237 -11.165 719 HH22 ARG 87 HH22 ARG 87 -27.941 13.068 -10.903 720 H5' DG 1 H5' G 1 32.126 -1.575 -7.899 721 H5'' DG 1 H5'' G 1 31.177 -2.174 -9.272 722 H4' DG 1 H4' G 1 31.809 -4.039 -7.938 723 H3' DG 1 H3' G 1 29.274 -3.820 -8.688 724 H2' DG 1 H2' G 1 28.428 -2.516 -6.858 725 H2'' DG 1 H2'' G 1 28.058 -4.140 -6.303 726 H1' DG 1 H1' G 1 29.929 -4.230 -4.848 727 H8 DG 1 H8 G 1 29.162 -0.611 -5.982 728 H1 DG 1 H1 G 1 29.929 -1.490 0.329 729 H21 DG 1 H21 G 1 30.708 -4.767 -0.536 730 H22 DG 1 H22 G 1 30.499 -3.596 0.746 731 HO5' DG 1 H5T G 1 29.356 -1.414 -8.379 732 H5' DC 2 H5' C 2 30.085 -7.121 -5.444 733 H5'' DC 2 H5'' C 2 29.584 -8.583 -6.316 734 H4' DC 2 H4' C 2 29.368 -9.120 -4.053 735 H3' DC 2 H3' C 2 27.164 -9.433 -5.493 736 H2' DC 2 H2' C 2 26.212 -7.251 -5.244 737 H2'' DC 2 H2'' C 2 25.404 -8.107 -3.941 738 H1' DC 2 H1' C 2 26.849 -7.226 -2.275 739 H41 DC 2 H41 C 2 26.312 -1.054 -4.620 740 H42 DC 2 H42 C 2 26.400 -0.950 -2.879 741 H5 DC 2 H5 C 2 26.524 -3.165 -5.818 742 H6 DC 2 H6 C 2 26.877 -5.568 -5.573 743 H5' DT 3 H5' T 3 26.851 -9.816 -0.964 744 H5'' DT 3 H5'' T 3 26.273 -11.470 -0.693 745 H4' DT 3 H4' T 3 25.767 -10.331 1.276 746 H3' DT 3 H3' T 3 23.688 -11.480 0.099 747 H2' DT 3 H2' T 3 22.992 -9.680 -1.325 748 H2'' DT 3 H2'' T 3 21.960 -9.414 0.076 749 H1' DT 3 H1' T 3 23.336 -7.695 0.943 750 H3 DT 3 H3 T 3 23.667 -3.985 -1.463 751 H71 DT 3 H71 T 3 24.080 -8.093 -4.920 752 H72 DT 3 H72 T 3 24.184 -6.391 -5.429 753 H73 DT 3 H73 T 3 22.597 -7.132 -5.119 754 H6 DT 3 H6 T 3 23.810 -8.621 -2.593 755 H5' DT 4 H5' T 4 23.024 -8.626 3.608 756 H5'' DT 4 H5'' T 4 22.323 -9.723 4.812 757 H4' DT 4 H4' T 4 21.790 -7.600 5.591 758 H3' DT 4 H3' T 4 19.694 -9.173 5.204 759 H2' DT 4 H2' T 4 19.217 -8.639 2.915 760 H2'' DT 4 H2'' T 4 18.133 -7.534 3.743 761 H1' DT 4 H1' T 4 19.592 -5.678 3.469 762 H3 DT 4 H3 T 4 20.358 -4.329 -0.692 763 H71 DT 4 H71 T 4 20.762 -9.688 -0.733 764 H72 DT 4 H72 T 4 21.015 -8.688 -2.183 765 H73 DT 4 H73 T 4 19.363 -9.085 -1.653 766 H6 DT 4 H6 T 4 20.211 -8.635 1.357 767 H5' DG 5 H5' G 5 18.888 -4.611 6.199 768 H5'' DG 5 H5'' G 5 18.023 -4.862 7.728 769 H4' DG 5 H4' G 5 17.372 -2.739 7.058 770 H3' DG 5 H3' G 5 15.359 -4.430 7.385 771 H2' DG 5 H2' G 5 15.234 -5.338 5.178 772 H2'' DG 5 H2'' G 5 14.053 -4.043 5.054 773 H1' DG 5 H1' G 5 15.552 -2.590 3.922 774 H8 DG 5 H8 G 5 16.672 -6.280 3.933 775 H1 DG 5 H1 G 5 17.038 -3.269 -1.712 776 H21 DG 5 H21 G 5 16.152 -0.443 0.093 777 H22 DG 5 H22 G 5 16.567 -1.111 -1.471 778 H5' DT 6 H5' T 6 14.360 -0.298 5.469 779 H5'' DT 6 H5'' T 6 13.253 0.358 6.690 780 H4' DT 6 H4' T 6 12.758 1.557 4.765 781 H3' DT 6 H3' T 6 10.695 0.259 5.792 782 H2' DT 6 H2' T 6 10.921 -1.825 4.640 783 H2'' DT 6 H2'' T 6 9.770 -0.998 3.609 784 H1' DT 6 H1' T 6 11.439 -0.390 2.014 785 H3 DT 6 H3 T 6 13.592 -3.737 -0.072 786 H71 DT 6 H71 T 6 13.785 -6.119 4.038 787 H72 DT 6 H72 T 6 12.564 -5.262 5.008 788 H73 DT 6 H73 T 6 12.055 -6.324 3.675 789 H6 DT 6 H6 T 6 12.114 -3.055 4.411 790 H5' DG 7 H5' G 7 10.448 2.530 1.846 791 H5'' DG 7 H5'' G 7 9.083 3.642 2.059 792 H4' DG 7 H4' G 7 9.391 3.551 -0.240 793 H3' DG 7 H3' G 7 6.965 2.848 0.550 794 H2' DG 7 H2' G 7 7.311 0.496 0.861 795 H2'' DG 7 H2'' G 7 6.696 0.523 -0.787 796 H1' DG 7 H1' G 7 8.856 0.297 -1.751 797 H8 DG 7 H8 G 7 9.170 -0.395 2.045 798 H1 DG 7 H1 G 7 10.902 -5.198 -1.837 799 H21 DG 7 H21 G 7 10.226 -2.961 -4.394 800 H22 DG 7 H22 G 7 10.755 -4.565 -3.955 801 H5' DT 8 H5' T 8 8.021 1.446 -3.730 802 H5'' DT 8 H5'' T 8 6.959 2.552 -4.622 803 H4' DT 8 H4' T 8 7.261 0.803 -6.108 804 H3' DT 8 H3' T 8 4.732 1.212 -5.416 805 H2' DT 8 H2' T 8 4.618 -0.228 -3.498 806 H2'' DT 8 H2'' T 8 4.009 -1.295 -4.752 807 H1' DT 8 H1' T 8 6.091 -2.408 -5.013 808 H3 DT 8 H3 T 8 7.351 -4.864 -1.547 809 H71 DT 8 H71 T 8 5.324 -0.234 0.367 810 H72 DT 8 H72 T 8 6.722 -0.932 1.223 811 H73 DT 8 H73 T 8 5.148 -1.761 1.262 812 H6 DT 8 H6 T 8 5.697 -0.404 -1.929 813 H5' DG 9 H5' G 9 4.876 -3.538 -7.454 814 H5'' DG 9 H5'' G 9 4.040 -2.738 -8.799 815 H4' DG 9 H4' G 9 3.044 -4.799 -8.811 816 H3' DG 9 H3' G 9 1.328 -2.863 -8.214 817 H2' DG 9 H2' G 9 1.524 -2.848 -5.841 818 H2'' DG 9 H2'' G 9 0.156 -3.935 -6.036 819 H1' DG 9 H1' G 9 1.476 -5.884 -5.749 820 H8 DG 9 H8 G 9 2.469 -2.621 -4.168 821 H1 DG 9 H1 G 9 4.339 -7.814 -0.884 822 H21 DG 9 H21 G 9 3.631 -9.535 -3.798 823 H22 DG 9 H22 G 9 4.215 -9.611 -2.150 824 H5' DG 10 H5' G 10 0.379 -7.124 -7.913 825 H5'' DG 10 H5'' G 10 -0.743 -7.261 -9.277 826 H4' DG 10 H4' G 10 -0.948 -9.301 -8.223 827 H3' DG 10 H3' G 10 -3.219 -7.936 -8.322 828 H2' DG 10 H2' G 10 -3.064 -6.732 -6.253 829 H2'' DG 10 H2'' G 10 -3.995 -8.138 -5.740 830 H1' DG 10 H1' G 10 -2.122 -9.237 -4.834 831 H8 DG 10 H8 G 10 -1.675 -5.414 -5.194 832 H1 DG 10 H1 G 10 0.224 -8.088 0.331 833 H21 DG 10 H21 G 10 -0.226 -11.083 -1.346 834 H22 DG 10 H22 G 10 0.249 -10.301 0.138 835 H5' DG 11 H5' G 11 -2.802 -11.481 -5.420 836 H5'' DG 11 H5'' G 11 -3.452 -12.461 -6.751 837 H4' DG 11 H4' G 11 -3.492 -13.918 -4.958 838 H3' DG 11 H3' G 11 -5.870 -13.426 -6.019 839 H2' DG 11 H2' G 11 -6.532 -11.560 -4.698 840 H2'' DG 11 H2'' G 11 -7.265 -12.865 -3.775 841 H1' DG 11 H1' G 11 -5.529 -12.887 -2.152 842 H8 DG 11 H8 G 11 -5.828 -9.667 -4.236 843 H1 DG 11 H1 G 11 -4.645 -8.859 2.028 844 H21 DG 11 H21 G 11 -4.132 -12.281 2.047 845 H22 DG 11 H22 G 11 -4.127 -10.789 2.954 846 H5' DC 12 H5' C 12 -5.756 -15.920 -2.132 847 H5'' DC 12 H5'' C 12 -6.362 -17.466 -2.756 848 H4' DC 12 H4' C 12 -6.683 -17.578 -0.449 849 H3' DC 12 H3' C 12 -8.866 -17.940 -1.905 850 H2' DC 12 H2' C 12 -9.630 -15.691 -2.070 851 H2'' DC 12 H2'' C 12 -10.535 -16.223 -0.662 852 H1' DC 12 H1' C 12 -9.058 -15.167 0.864 853 H41 DC 12 H41 C 12 -9.073 -9.493 -2.571 854 H42 DC 12 H42 C 12 -8.982 -9.113 -0.877 855 H5 DC 12 H5 C 12 -8.968 -11.829 -3.376 856 H6 DC 12 H6 C 12 -8.808 -14.163 -2.687 857 H5' DA 13 H5' A 13 -9.370 -18.261 2.914 858 H5'' DA 13 H5'' A 13 -10.438 -19.675 3.028 859 H4' DA 13 H4' A 13 -10.683 -18.275 4.978 860 H3' DA 13 H3' A 13 -12.820 -19.307 3.800 861 H2' DA 13 H2' A 13 -13.260 -17.590 2.190 862 H2'' DA 13 H2'' A 13 -14.309 -17.077 3.504 863 H1' DA 13 H1' A 13 -12.793 -15.419 4.259 864 H8 DA 13 H8 A 13 -12.012 -16.593 0.639 865 H61 DA 13 H61 A 13 -11.686 -12.144 -1.302 866 H62 DA 13 H62 A 13 -11.744 -10.527 -0.623 867 H2 DA 13 H2 A 13 -12.340 -11.028 3.799 868 H5' DG 14 H5' G 14 -13.858 -16.276 7.675 869 H5'' DG 14 H5'' G 14 -15.023 -17.397 8.407 870 H4' DG 14 H4' G 14 -15.580 -15.149 9.031 871 H3' DG 14 H3' G 14 -17.495 -16.789 8.217 872 H2' DG 14 H2' G 14 -17.398 -16.371 5.863 873 H2'' DG 14 H2'' G 14 -18.662 -15.251 6.342 874 H1' DG 14 H1' G 14 -17.197 -13.376 6.322 875 H8 DG 14 H8 G 14 -15.916 -16.451 4.393 876 H1 DG 14 H1 G 14 -15.353 -10.820 1.379 877 H21 DG 14 H21 G 14 -16.401 -9.450 4.404 878 H22 DG 14 H22 G 14 -15.911 -9.154 2.756 879 H5' DC 15 H5' C 15 -19.027 -12.260 9.396 880 H5'' DC 15 H5'' C 15 -20.623 -12.608 10.079 881 H4' DC 15 H4' C 15 -20.554 -10.378 9.138 882 H3' DC 15 H3' C 15 -22.632 -11.992 8.756 883 H2' DC 15 H2' C 15 -21.983 -13.079 6.777 884 H2'' DC 15 H2'' C 15 -22.894 -11.748 6.081 885 H1' DC 15 H1' C 15 -20.951 -10.510 5.536 886 H41 DC 15 H41 C 15 -18.486 -15.919 2.716 887 H42 DC 15 H42 C 15 -18.103 -14.573 1.672 888 H5 DC 15 H5 C 15 -19.472 -15.645 4.921 889 H6 DC 15 H6 C 15 -20.410 -14.030 6.492 890 H5' DG 16 H5' G 16 -24.705 -7.262 7.894 891 H5'' DG 16 H5'' G 16 -26.254 -7.818 7.251 892 H4' DG 16 H4' G 16 -25.436 -5.622 6.374 893 H3' DG 16 H3' G 16 -26.866 -7.382 4.985 894 H2' DG 16 H2' G 16 -25.316 -8.655 3.945 895 H2'' DG 16 H2'' G 16 -25.460 -7.411 2.708 896 H1' DG 16 H1' G 16 -23.421 -6.413 3.304 897 H8 DG 16 H8 G 16 -22.898 -9.022 6.022 898 H1 DG 16 H1 G 16 -21.478 -11.141 0.150 899 H21 DG 16 H21 G 16 -22.503 -8.010 -0.922 900 H22 DG 16 H22 G 16 -21.871 -9.589 -1.347 901 H5' DC 17 H5' C 17 -23.086 -14.666 -6.457 902 H5'' DC 17 H5'' C 17 -21.644 -15.260 -7.299 903 H4' DC 17 H4' C 17 -21.829 -12.809 -7.315 904 H3' DC 17 H3' C 17 -19.493 -14.043 -7.101 905 H2' DC 17 H2' C 17 -19.396 -14.333 -4.730 906 H2'' DC 17 H2'' C 17 -18.519 -12.819 -4.908 907 H1' DC 17 H1' C 17 -20.376 -11.505 -4.253 908 H41 DC 17 H41 C 17 -21.340 -15.448 0.941 909 H42 DC 17 H42 C 17 -21.705 -13.821 1.458 910 H5 DC 17 H5 C 17 -20.867 -16.023 -1.373 911 H6 DC 17 H6 C 17 -20.568 -15.126 -3.624 912 H5' DG 18 H5' G 18 -19.693 -9.419 -6.765 913 H5'' DG 18 H5'' G 18 -18.343 -8.731 -7.687 914 H4' DG 18 H4' G 18 -19.093 -7.187 -5.985 915 H3' DG 18 H3' G 18 -16.507 -7.552 -6.439 916 H2' DG 18 H2' G 18 -16.104 -9.398 -4.958 917 H2'' DG 18 H2'' G 18 -15.658 -8.045 -3.928 918 H1' DG 18 H1' G 18 -17.720 -8.061 -2.765 919 H8 DG 18 H8 G 18 -17.110 -11.355 -4.696 920 H1 DG 18 H1 G 18 -18.818 -11.952 1.464 921 H21 DG 18 H21 G 18 -19.197 -8.501 1.377 922 H22 DG 18 H22 G 18 -19.285 -9.956 2.330 923 H5' DC 19 H5' C 19 -17.699 -5.220 -2.645 924 H5'' DC 19 H5'' C 19 -17.027 -3.605 -2.946 925 H4' DC 19 H4' C 19 -17.288 -3.720 -0.631 926 H3' DC 19 H3' C 19 -14.831 -3.171 -1.456 927 H2' DC 19 H2' C 19 -13.970 -5.397 -1.649 928 H2'' DC 19 H2'' C 19 -13.443 -4.985 -0.024 929 H1' DC 19 H1' C 19 -15.208 -6.190 1.007 930 H41 DC 19 H41 C 19 -14.303 -11.518 -2.835 931 H42 DC 19 H42 C 19 -14.674 -12.079 -1.224 932 H5 DC 19 H5 C 19 -14.297 -9.147 -3.426 933 H6 DC 19 H6 C 19 -14.643 -6.885 -2.583 934 H5' DT 20 H5' T 20 -15.279 -3.780 3.295 935 H5'' DT 20 H5'' T 20 -14.501 -2.295 3.876 936 H4' DT 20 H4' T 20 -14.364 -3.952 5.584 937 H3' DT 20 H3' T 20 -12.172 -2.586 5.016 938 H2' DT 20 H2' T 20 -11.291 -3.971 3.254 939 H2'' DT 20 H2'' T 20 -10.436 -4.620 4.650 940 H1' DT 20 H1' T 20 -11.883 -6.479 4.858 941 H3 DT 20 H3 T 20 -12.061 -9.401 1.519 942 H71 DT 20 H71 T 20 -12.331 -5.652 -1.534 943 H72 DT 20 H72 T 20 -11.400 -4.470 -0.586 944 H73 DT 20 H73 T 20 -10.586 -5.890 -1.284 945 H6 DT 20 H6 T 20 -11.922 -4.635 1.676 946 H5' DG 21 H5' G 21 -11.235 -6.582 7.947 947 H5'' DG 21 H5'' G 21 -10.693 -5.494 9.242 948 H4' DG 21 H4' G 21 -9.489 -7.463 9.584 949 H3' DG 21 H3' G 21 -8.013 -5.290 9.265 950 H2' DG 21 H2' G 21 -7.743 -5.331 6.885 951 H2'' DG 21 H2'' G 21 -6.285 -6.176 7.388 952 H1' DG 21 H1' G 21 -7.191 -8.315 6.910 953 H8 DG 21 H8 G 21 -8.593 -5.260 5.170 954 H1 DG 21 H1 G 21 -8.631 -10.612 1.637 955 H21 DG 21 H21 G 21 -7.918 -12.207 4.627 956 H22 DG 21 H22 G 21 -8.232 -12.371 2.916 957 H5' DC 22 H5' C 22 -5.932 -9.266 9.056 958 H5'' DC 22 H5'' C 22 -4.940 -9.253 10.527 959 H4' DC 22 H4' C 22 -3.977 -10.913 9.231 960 H3' DC 22 H3' C 22 -2.332 -8.924 9.848 961 H2' DC 22 H2' C 22 -2.686 -7.495 7.982 962 H2'' DC 22 H2'' C 22 -1.306 -8.418 7.402 963 H1' DC 22 H1' C 22 -2.624 -9.835 6.052 964 H41 DC 22 H41 C 22 -5.564 -4.573 3.253 965 H42 DC 22 H42 C 22 -5.468 -5.878 2.108 966 H5 DC 22 H5 C 22 -5.014 -5.020 5.702 967 H6 DC 22 H6 C 22 -4.054 -6.665 7.230 968 H5' DC 23 H5' C 23 -1.006 -12.014 6.625 969 H5'' DC 23 H5'' C 23 -0.071 -12.760 7.933 970 H4' DC 23 H4' C 23 0.763 -13.827 6.089 971 H3' DC 23 H3' C 23 2.619 -12.399 7.331 972 H2' DC 23 H2' C 23 2.372 -10.319 6.177 973 H2'' DC 23 H2'' C 23 3.652 -11.060 5.229 974 H1' DC 23 H1' C 23 2.185 -11.753 3.511 975 H41 DC 23 H41 C 23 -0.236 -5.671 3.080 976 H42 DC 23 H42 C 23 -0.217 -6.314 1.470 977 H5 DC 23 H5 C 23 0.244 -7.003 5.053 978 H6 DC 23 H6 C 23 0.873 -9.201 5.863 979 H5' DC 24 H5' C 24 3.441 -14.038 3.168 980 H5'' DC 24 H5'' C 24 4.528 -15.325 3.725 981 H4' DC 24 H4' C 24 4.900 -15.272 1.443 982 H3' DC 24 H3' C 24 7.058 -14.775 2.905 983 H2' DC 24 H2' C 24 6.881 -12.395 3.080 984 H2'' DC 24 H2'' C 24 7.943 -12.540 1.690 985 H1' DC 24 H1' C 24 6.185 -12.183 0.131 986 H41 DC 24 H41 C 24 4.342 -6.731 3.336 987 H42 DC 24 H42 C 24 4.067 -6.460 1.630 988 H5 DC 24 H5 C 24 5.009 -8.910 4.230 989 H6 DC 24 H6 C 24 5.608 -11.198 3.641 990 H5' DA 25 H5' A 25 7.334 -14.061 -1.684 991 H5'' DA 25 H5'' A 25 8.473 -15.382 -2.004 992 H4' DA 25 H4' A 25 8.635 -14.055 -3.893 993 H3' DA 25 H3' A 25 10.924 -14.357 -2.594 994 H2' DA 25 H2' A 25 10.792 -12.489 -1.102 995 H2'' DA 25 H2'' A 25 11.715 -11.790 -2.427 996 H1' DA 25 H1' A 25 9.825 -10.695 -3.354 997 H8 DA 25 H8 A 25 9.374 -11.703 0.357 998 H61 DA 25 H61 A 25 7.771 -7.374 1.906 999 H62 DA 25 H62 A 25 7.347 -5.887 1.081 1000 H2 DA 25 H2 A 25 7.983 -6.614 -3.297 1001 H5' DC 26 H5' C 26 10.419 -11.321 -5.815 1002 H5'' DC 26 H5'' C 26 11.409 -12.065 -7.083 1003 H4' DC 26 H4' C 26 11.065 -9.931 -7.879 1004 H3' DC 26 H3' C 26 13.623 -10.504 -7.498 1005 H2' DC 26 H2' C 26 13.867 -9.771 -5.233 1006 H2'' DC 26 H2'' C 26 14.380 -8.328 -6.094 1007 H1' DC 26 H1' C 26 12.286 -7.238 -5.811 1008 H41 DC 26 H41 C 26 11.954 -8.691 0.647 1009 H42 DC 26 H42 C 26 11.387 -7.051 0.440 1010 H5 DC 26 H5 C 26 12.581 -10.108 -1.232 1011 H6 DC 26 H6 C 26 12.786 -10.221 -3.666 1012 H5' DA 27 H5' A 27 12.543 -6.058 -8.676 1013 H5'' DA 27 H5'' A 27 13.430 -5.986 -10.213 1014 H4' DA 27 H4' A 27 13.167 -3.761 -9.583 1015 H3' DA 27 H3' A 27 15.683 -4.491 -9.962 1016 H2' DA 27 H2' A 27 16.221 -5.237 -7.750 1017 H2'' DA 27 H2'' A 27 16.773 -3.568 -7.673 1018 H1' DA 27 H1' A 27 14.852 -2.831 -6.501 1019 H8 DA 27 H8 A 27 15.429 -6.639 -6.410 1020 H61 DA 27 H61 A 27 14.658 -7.270 -1.655 1021 H62 DA 27 H62 A 27 14.136 -6.215 -0.364 1022 H2 DA 27 H2 A 27 13.471 -2.174 -2.233 1023 H5' DC 28 H5' C 28 14.887 -0.194 -8.246 1024 H5'' DC 28 H5'' C 28 15.752 0.824 -9.413 1025 H4' DC 28 H4' C 28 15.605 2.114 -7.473 1026 H3' DC 28 H3' C 28 18.056 1.752 -8.408 1027 H2' DC 28 H2' C 28 18.628 -0.255 -7.246 1028 H2'' DC 28 H2'' C 28 19.309 0.950 -6.169 1029 H1' DC 28 H1' C 28 17.467 0.831 -4.658 1030 H41 DC 28 H41 C 28 17.912 -5.730 -4.532 1031 H42 DC 28 H42 C 28 17.389 -5.246 -2.939 1032 H5 DC 28 H5 C 28 18.124 -4.211 -6.396 1033 H6 DC 28 H6 C 28 17.959 -1.880 -7.086 1034 H5' DA 29 H5' A 29 17.522 3.753 -4.327 1035 H5'' DA 29 H5'' A 29 18.247 5.357 -4.531 1036 H4' DA 29 H4' A 29 18.192 5.023 -2.230 1037 H3' DA 29 H3' A 29 20.611 5.533 -3.185 1038 H2' DA 29 H2' A 29 21.321 3.295 -3.667 1039 H2'' DA 29 H2'' A 29 21.994 3.517 -2.064 1040 H1' DA 29 H1' A 29 20.243 2.300 -1.010 1041 H8 DA 29 H8 A 29 20.307 1.631 -4.831 1042 H61 DA 29 H61 A 29 20.430 -3.218 -4.537 1043 H62 DA 29 H62 A 29 20.361 -4.341 -3.191 1044 H2 DA 29 H2 A 29 20.008 -1.874 0.531 1045 H5' DA 30 H5' A 30 20.150 4.248 1.223 1046 H5'' DA 30 H5'' A 30 20.787 5.647 2.104 1047 H4' DA 30 H4' A 30 20.858 3.905 3.643 1048 H3' DA 30 H3' A 30 23.194 5.083 3.242 1049 H2' DA 30 H2' A 30 23.998 3.747 1.411 1050 H2'' DA 30 H2'' A 30 24.737 2.923 2.776 1051 H1' DA 30 H1' A 30 23.105 1.198 2.797 1052 H8 DA 30 H8 A 30 22.860 3.139 -0.561 1053 H61 DA 30 H61 A 30 23.278 -0.757 -3.443 1054 H62 DA 30 H62 A 30 23.444 -2.469 -3.137 1055 H2 DA 30 H2 A 30 23.429 -2.955 1.336 1056 H5' DG 31 H5' G 31 23.258 1.108 5.842 1057 H5'' DG 31 H5'' G 31 23.920 1.759 7.354 1058 H4' DG 31 H4' G 31 24.396 -0.536 7.384 1059 H3' DG 31 H3' G 31 26.478 1.062 7.740 1060 H2' DG 31 H2' G 31 27.128 1.368 5.448 1061 H2'' DG 31 H2'' G 31 28.174 0.037 5.916 1062 H1' DG 31 H1' G 31 26.787 -1.599 4.900 1063 H8 DG 31 H8 G 31 26.124 1.987 3.620 1064 H1 DG 31 H1 G 31 26.636 -2.598 -0.842 1065 H21 DG 31 H21 G 31 26.858 -4.755 1.877 1066 H22 DG 31 H22 G 31 26.865 -4.591 0.143 1067 H5' DC 32 H5' C 32 27.665 -3.390 6.717 1068 H5'' DC 32 H5'' C 32 28.306 -3.821 8.316 1069 H4' DC 32 H4' C 32 29.335 -5.319 6.875 1070 H3' DC 32 H3' C 32 31.032 -3.826 8.256 1071 HO3' DC 32 H3T C 32 31.695 -5.504 6.070 1072 H2' DC 32 H2' C 32 31.245 -1.976 6.753 1073 H2'' DC 32 H2'' C 32 32.614 -2.956 6.249 1074 H1' DC 32 H1' C 32 31.475 -3.833 4.356 1075 H41 DC 32 H41 C 32 29.223 2.106 2.467 1076 H42 DC 32 H42 C 32 29.346 1.127 1.030 1077 H5 DC 32 H5 C 32 29.696 1.226 4.703 1078 H6 DC 32 H6 C 32 30.279 -0.777 5.970 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 -6.256 -1.085 -0.727 2 H2 MET 1 HT2 MET 1 -7.054 -0.672 -2.165 3 H3 MET 1 HT3 MET 1 -5.427 -0.248 -1.946 4 HA MET 1 HA MET 1 -4.697 -2.455 -2.090 5 HB2 MET 1 HB2 MET 1 -6.123 -4.357 -2.117 6 HB3 MET 1 HB1 MET 1 -6.687 -3.353 -0.791 7 HG2 MET 1 HG2 MET 1 -8.457 -2.467 -2.270 8 HG3 MET 1 HG1 MET 1 -7.928 -3.593 -3.519 9 HE1 MET 1 HE1 MET 1 -8.561 -7.028 -1.565 10 HE2 MET 1 HE2 MET 1 -7.130 -6.031 -1.312 11 HE3 MET 1 HE3 MET 1 -7.746 -6.289 -2.944 12 H VAL 2 HN VAL 2 -5.359 -4.107 -4.085 13 HA VAL 2 HA VAL 2 -5.085 -2.457 -6.381 14 HB VAL 2 HB VAL 2 -5.595 -4.829 -7.507 15 HG11 VAL 2 HG11 VAL 2 -3.024 -4.204 -6.073 16 HG12 VAL 2 HG12 VAL 2 -3.529 -3.461 -7.592 17 HG13 VAL 2 HG13 VAL 2 -3.224 -5.196 -7.514 18 HG21 VAL 2 HG21 VAL 2 -4.378 -5.711 -4.913 19 HG22 VAL 2 HG22 VAL 2 -5.119 -6.683 -6.183 20 HG23 VAL 2 HG23 VAL 2 -6.128 -5.699 -5.125 21 H GLN 3 HN GLN 3 -7.685 -4.573 -5.202 22 HA GLN 3 HA GLN 3 -9.530 -4.293 -7.218 23 HB2 GLN 3 HB2 GLN 3 -9.725 -4.751 -4.277 24 HB3 GLN 3 HB1 GLN 3 -11.204 -4.322 -5.122 25 HG2 GLN 3 HG2 GLN 3 -11.288 -6.288 -6.272 26 HG3 GLN 3 HG1 GLN 3 -9.539 -6.509 -6.247 27 HE21 GLN 3 HE21 GLN 3 -12.479 -6.760 -4.337 28 HE22 GLN 3 HE22 GLN 3 -11.847 -7.866 -3.163 29 H SER 4 HN SER 4 -8.717 -2.049 -4.661 30 HA SER 4 HA SER 4 -9.585 0.225 -6.038 31 HB2 SER 4 HB2 SER 4 -11.704 0.661 -5.231 32 HB3 SER 4 HB1 SER 4 -11.722 -1.069 -5.069 33 HG SER 4 HG SER 4 -10.813 0.579 -2.972 34 H CYS 5 HN CYS 5 -9.112 2.163 -4.810 35 HA CYS 5 HA CYS 5 -6.971 1.773 -2.959 36 HB2 CYS 5 HB2 CYS 5 -8.324 4.409 -3.489 37 HB3 CYS 5 HB1 CYS 5 -6.631 4.098 -3.119 38 H SER 6 HN SER 6 -6.977 3.255 -0.921 39 HA SER 6 HA SER 6 -9.022 2.257 0.804 40 HB2 SER 6 HB2 SER 6 -7.672 3.960 2.377 41 HB3 SER 6 HB1 SER 6 -7.045 2.367 1.950 42 HG SER 6 HG SER 6 -5.634 4.291 1.623 43 H ALA 7 HN ALA 7 -9.206 4.666 -1.330 44 HA ALA 7 HA ALA 7 -10.381 6.732 0.287 45 HB1 ALA 7 HB1 ALA 7 -9.144 7.173 -1.840 46 HB2 ALA 7 HB2 ALA 7 -10.746 7.904 -1.769 47 HB3 ALA 7 HB3 ALA 7 -10.488 6.439 -2.714 48 H TYR 8 HN TYR 8 -12.586 7.554 -0.978 49 HA TYR 8 HA TYR 8 -14.450 5.354 -0.469 50 HB2 TYR 8 HB2 TYR 8 -14.726 7.228 1.031 51 HB3 TYR 8 HB1 TYR 8 -14.784 8.356 -0.313 52 HD1 TYR 8 HD1 TYR 8 -16.635 5.206 -0.586 53 HD2 TYR 8 HD2 TYR 8 -16.843 9.293 0.585 54 HE1 TYR 8 HE1 TYR 8 -19.090 5.074 -0.593 55 HE2 TYR 8 HE2 TYR 8 -19.301 9.173 0.566 56 HH TYR 8 HH TYR 8 -21.056 7.444 -0.833 57 H GLY 9 HN GLY 9 -14.280 4.457 -2.567 58 HA2 GLY 9 HA2 GLY 9 -15.796 4.214 -4.429 59 HA3 GLY 9 HA1 GLY 9 -15.861 5.961 -4.541 60 H CYS 10 HN CYS 10 -12.675 5.164 -4.034 61 HA CYS 10 HA CYS 10 -12.085 5.649 -6.813 62 HB2 CYS 10 HB2 CYS 10 -10.788 6.745 -4.981 63 HB3 CYS 10 HB1 CYS 10 -10.100 5.176 -4.585 64 H LYS 11 HN LYS 11 -13.099 3.584 -7.491 65 HA LYS 11 HA LYS 11 -11.508 1.189 -7.018 66 HB2 LYS 11 HB2 LYS 11 -14.192 1.662 -7.701 67 HB3 LYS 11 HB1 LYS 11 -13.482 0.899 -9.116 68 HG2 LYS 11 HG2 LYS 11 -12.646 -0.918 -7.642 69 HG3 LYS 11 HG1 LYS 11 -13.517 -0.174 -6.304 70 HD2 LYS 11 HD2 LYS 11 -15.616 -0.418 -7.613 71 HD3 LYS 11 HD1 LYS 11 -14.701 -1.301 -8.837 72 HE2 LYS 11 HE2 LYS 11 -14.206 -3.061 -7.331 73 HE3 LYS 11 HE1 LYS 11 -14.760 -2.128 -5.945 74 HZ1 LYS 11 HZ1 LYS 11 -16.436 -3.245 -8.120 75 HZ2 LYS 11 HZ2 LYS 11 -17.012 -2.221 -6.907 76 HZ3 LYS 11 HZ3 LYS 11 -16.404 -3.751 -6.503 77 H ASN 12 HN ASN 12 -10.126 3.245 -8.126 78 HA ASN 12 HA ASN 12 -9.862 3.031 -10.981 79 HB2 ASN 12 HB2 ASN 12 -8.224 4.379 -8.870 80 HB3 ASN 12 HB1 ASN 12 -7.836 4.483 -10.579 81 HD21 ASN 12 HD21 ASN 12 -8.100 6.853 -9.885 82 HD22 ASN 12 HD22 ASN 12 -9.682 7.520 -10.078 83 H ARG 13 HN ARG 13 -9.607 0.574 -9.990 84 HA ARG 13 HA ARG 13 -7.360 -0.662 -9.232 85 HB2 ARG 13 HB2 ARG 13 -9.588 -1.548 -10.442 86 HB3 ARG 13 HB1 ARG 13 -8.486 -1.709 -11.794 87 HG2 ARG 13 HG2 ARG 13 -8.385 -3.110 -9.132 88 HG3 ARG 13 HG1 ARG 13 -8.587 -3.818 -10.735 89 HD2 ARG 13 HD2 ARG 13 -6.273 -3.005 -11.282 90 HD3 ARG 13 HD1 ARG 13 -6.103 -2.543 -9.594 91 HE ARG 13 HE ARG 13 -6.809 -5.142 -9.423 92 HH11 ARG 13 HH11 ARG 13 -4.329 -3.496 -11.283 93 HH12 ARG 13 HH12 ARG 13 -3.211 -4.817 -11.209 94 HH21 ARG 13 HH21 ARG 13 -5.332 -6.881 -9.313 95 HH22 ARG 13 HH22 ARG 13 -3.784 -6.745 -10.087 96 H TYR 14 HN TYR 14 -5.285 -0.866 -9.908 97 HA TYR 14 HA TYR 14 -3.793 0.759 -11.319 98 HB2 TYR 14 HB2 TYR 14 -3.372 -1.803 -10.416 99 HB3 TYR 14 HB1 TYR 14 -3.085 -1.961 -12.144 100 HD1 TYR 14 HD1 TYR 14 -1.683 0.400 -12.969 101 HD2 TYR 14 HD2 TYR 14 -1.396 -1.692 -9.268 102 HE1 TYR 14 HE1 TYR 14 0.586 1.279 -12.644 103 HE2 TYR 14 HE2 TYR 14 0.879 -0.823 -8.948 104 HH TYR 14 HH TYR 14 2.657 0.154 -10.053 105 H ASP 15 HN ASP 15 -4.282 1.769 -13.091 106 HA ASP 15 HA ASP 15 -4.683 0.222 -15.549 107 HB2 ASP 15 HB2 ASP 15 -6.823 1.144 -15.187 108 HB3 ASP 15 HB1 ASP 15 -6.164 2.642 -14.548 109 H LYS 16 HN LYS 16 -2.827 0.358 -16.447 110 HA LYS 16 HA LYS 16 -0.855 2.273 -16.124 111 HB2 LYS 16 HB2 LYS 16 0.298 1.072 -17.732 112 HB3 LYS 16 HB1 LYS 16 -0.849 -0.102 -17.107 113 HG2 LYS 16 HG2 LYS 16 -1.708 1.477 -19.458 114 HG3 LYS 16 HG1 LYS 16 -0.465 0.254 -19.711 115 HD2 LYS 16 HD2 LYS 16 -1.966 -1.393 -18.568 116 HD3 LYS 16 HD1 LYS 16 -3.220 -0.152 -18.564 117 HE2 LYS 16 HE2 LYS 16 -2.230 -0.260 -21.190 118 HE3 LYS 16 HE1 LYS 16 -2.435 -1.933 -20.667 119 HZ1 LYS 16 HZ1 LYS 16 -4.488 0.209 -20.734 120 HZ2 LYS 16 HZ2 LYS 16 -4.721 -1.275 -19.947 121 HZ3 LYS 16 HZ3 LYS 16 -4.468 -1.237 -21.618 122 H ASP 17 HN ASP 17 -3.629 2.312 -18.204 123 HA ASP 17 HA ASP 17 -2.733 4.262 -20.053 124 HB2 ASP 17 HB2 ASP 17 -5.412 3.219 -19.233 125 HB3 ASP 17 HB1 ASP 17 -5.326 4.672 -20.223 126 H LYS 18 HN LYS 18 -4.114 4.377 -16.877 127 HA LYS 18 HA LYS 18 -4.414 7.278 -16.956 128 HB2 LYS 18 HB2 LYS 18 -5.958 7.024 -15.327 129 HB3 LYS 18 HB1 LYS 18 -5.936 5.328 -15.781 130 HG2 LYS 18 HG2 LYS 18 -4.109 5.068 -14.029 131 HG3 LYS 18 HG1 LYS 18 -4.602 6.661 -13.462 132 HD2 LYS 18 HD2 LYS 18 -6.031 4.063 -13.305 133 HD3 LYS 18 HD1 LYS 18 -5.920 5.363 -12.127 134 HE2 LYS 18 HE2 LYS 18 -8.052 5.766 -12.715 135 HE3 LYS 18 HE1 LYS 18 -7.327 6.588 -14.091 136 HZ1 LYS 18 HZ1 LYS 18 -8.367 3.809 -14.028 137 HZ2 LYS 18 HZ2 LYS 18 -7.527 4.472 -15.340 138 HZ3 LYS 18 HZ3 LYS 18 -9.018 5.124 -14.867 139 HA PRO 19 HA PRO 19 -0.474 7.706 -15.006 140 HB2 PRO 19 HB2 PRO 19 -0.547 10.297 -14.311 141 HB3 PRO 19 HB1 PRO 19 -0.550 9.789 -16.013 142 HG2 PRO 19 HG2 PRO 19 -2.805 10.753 -14.332 143 HG3 PRO 19 HG1 PRO 19 -2.462 11.045 -16.047 144 HD2 PRO 19 HD2 PRO 19 -4.267 9.166 -15.067 145 HD3 PRO 19 HD1 PRO 19 -3.575 9.186 -16.698 146 H VAL 20 HN VAL 20 -1.216 6.209 -13.216 147 HA VAL 20 HA VAL 20 -0.827 7.617 -10.705 148 HB VAL 20 HB VAL 20 -2.570 6.658 -9.465 149 HG11 VAL 20 HG11 VAL 20 -3.530 8.473 -10.536 150 HG12 VAL 20 HG12 VAL 20 -4.692 7.171 -10.798 151 HG13 VAL 20 HG13 VAL 20 -3.592 7.650 -12.092 152 HG21 VAL 20 HG21 VAL 20 -2.502 4.404 -10.247 153 HG22 VAL 20 HG22 VAL 20 -3.171 4.875 -11.811 154 HG23 VAL 20 HG23 VAL 20 -4.162 4.992 -10.356 155 H SER 21 HN SER 21 0.199 6.419 -9.157 156 HA SER 21 HA SER 21 1.152 3.763 -10.001 157 HB2 SER 21 HB2 SER 21 3.129 4.363 -8.448 158 HB3 SER 21 HB1 SER 21 3.050 5.194 -10.003 159 HG SER 21 HG SER 21 2.630 7.028 -9.027 160 H PHE 22 HN PHE 22 1.596 2.271 -8.132 161 HA PHE 22 HA PHE 22 -0.267 2.884 -5.951 162 HB2 PHE 22 HB2 PHE 22 0.251 0.409 -7.462 163 HB3 PHE 22 HB1 PHE 22 0.093 0.196 -5.723 164 HD1 PHE 22 HD2 PHE 22 -2.013 0.747 -4.590 165 HD2 PHE 22 HD1 PHE 22 -1.644 1.034 -8.821 166 HE1 PHE 22 HE2 PHE 22 -4.468 0.818 -4.798 167 HE2 PHE 22 HE1 PHE 22 -4.103 1.101 -9.034 168 HZ PHE 22 HZ PHE 22 -5.510 0.991 -7.020 169 H HIS 23 HN HIS 23 0.252 2.092 -3.866 170 HA HIS 23 HA HIS 23 3.026 1.497 -3.158 171 HB2 HIS 23 HB2 HIS 23 2.031 3.662 -1.499 172 HB3 HIS 23 HB1 HIS 23 3.590 3.510 -2.291 173 HD1 HIS 23 HD1 HIS 23 0.117 4.705 -2.890 174 HD2 HIS 23 HD2 HIS 23 3.897 5.114 -4.540 175 HE1 HIS 23 HE1 HIS 23 -0.144 6.425 -4.657 176 HE2 HIS 23 HE2 HIS 23 2.110 6.475 -5.826 177 H LYS 24 HN LYS 24 3.052 1.460 -0.576 178 HA LYS 24 HA LYS 24 0.446 0.325 0.191 179 HB2 LYS 24 HB2 LYS 24 3.195 -0.570 0.639 180 HB3 LYS 24 HB1 LYS 24 2.252 -0.515 2.122 181 HG2 LYS 24 HG2 LYS 24 0.731 -2.092 1.370 182 HG3 LYS 24 HG1 LYS 24 1.143 -1.826 -0.325 183 HD2 LYS 24 HD2 LYS 24 2.053 -3.933 0.332 184 HD3 LYS 24 HD1 LYS 24 3.393 -2.799 0.149 185 HE2 LYS 24 HE2 LYS 24 2.953 -2.424 2.729 186 HE3 LYS 24 HE1 LYS 24 2.270 -4.044 2.609 187 HZ1 LYS 24 HZ1 LYS 24 4.475 -4.561 1.398 188 HZ2 LYS 24 HZ2 LYS 24 4.458 -4.459 3.089 189 HZ3 LYS 24 HZ3 LYS 24 5.038 -3.164 2.176 190 H PHE 25 HN PHE 25 0.003 0.648 2.673 191 HA PHE 25 HA PHE 25 -0.089 3.385 3.308 192 HB2 PHE 25 HB2 PHE 25 -0.604 0.866 4.769 193 HB3 PHE 25 HB1 PHE 25 -0.159 2.218 5.784 194 HD1 PHE 25 HD2 PHE 25 -2.560 1.344 3.078 195 HD2 PHE 25 HD1 PHE 25 -1.817 3.648 6.563 196 HE1 PHE 25 HE2 PHE 25 -4.894 2.124 3.053 197 HE2 PHE 25 HE1 PHE 25 -4.158 4.406 6.562 198 HZ PHE 25 HZ PHE 25 -5.695 3.647 4.804 199 HA PRO 26 HA PRO 26 3.878 4.299 5.137 200 HB2 PRO 26 HB2 PRO 26 3.147 5.993 7.132 201 HB3 PRO 26 HB1 PRO 26 3.078 6.467 5.426 202 HG2 PRO 26 HG2 PRO 26 0.883 5.457 7.178 203 HG3 PRO 26 HG1 PRO 26 0.891 6.874 6.108 204 HD2 PRO 26 HD2 PRO 26 -0.223 4.604 5.316 205 HD3 PRO 26 HD1 PRO 26 0.723 5.591 4.192 206 H LEU 27 HN LEU 27 3.815 1.952 5.881 207 HA LEU 27 HA LEU 27 2.857 1.317 8.473 208 HB2 LEU 27 HB2 LEU 27 4.653 -0.021 6.491 209 HB3 LEU 27 HB1 LEU 27 4.482 -0.682 8.110 210 HG LEU 27 HG LEU 27 2.265 -0.268 6.088 211 HD11 LEU 27 HD11 LEU 27 3.415 -2.796 7.275 212 HD12 LEU 27 HD12 LEU 27 3.748 -2.189 5.655 213 HD13 LEU 27 HD13 LEU 27 2.113 -2.687 6.092 214 HD21 LEU 27 HD21 LEU 27 2.236 -0.952 8.998 215 HD22 LEU 27 HD22 LEU 27 1.002 -1.611 7.921 216 HD23 LEU 27 HD23 LEU 27 1.190 0.135 8.083 217 H THR 28 HN THR 28 5.714 2.729 7.265 218 HA THR 28 HA THR 28 7.143 2.347 9.754 219 HB THR 28 HB THR 28 9.048 3.305 8.557 220 HG1 THR 28 HG1 THR 28 8.240 3.538 6.089 221 HG21 THR 28 HG21 THR 28 9.149 1.658 6.679 222 HG22 THR 28 HG22 THR 28 7.438 1.305 6.961 223 HG23 THR 28 HG23 THR 28 8.637 0.949 8.212 224 H ARG 29 HN ARG 29 4.726 4.180 9.025 225 HA ARG 29 HA ARG 29 5.555 6.446 10.669 226 HB2 ARG 29 HB2 ARG 29 4.762 6.540 7.809 227 HB3 ARG 29 HB1 ARG 29 3.919 7.674 8.838 228 HG2 ARG 29 HG2 ARG 29 6.888 7.545 8.949 229 HG3 ARG 29 HG1 ARG 29 6.094 8.340 7.585 230 HD2 ARG 29 HD2 ARG 29 5.664 10.138 8.797 231 HD3 ARG 29 HD1 ARG 29 4.879 9.166 10.040 232 HE ARG 29 HE ARG 29 6.827 9.160 11.268 233 HH11 ARG 29 HH11 ARG 29 7.393 10.656 8.142 234 HH12 ARG 29 HH12 ARG 29 8.965 11.252 8.567 235 HH21 ARG 29 HH21 ARG 29 8.883 9.933 11.835 236 HH22 ARG 29 HH22 ARG 29 9.828 10.825 10.678 237 HA PRO 30 HA PRO 30 1.541 4.001 11.490 238 HB2 PRO 30 HB2 PRO 30 1.944 4.376 14.233 239 HB3 PRO 30 HB1 PRO 30 2.213 2.894 13.301 240 HG2 PRO 30 HG2 PRO 30 4.166 4.945 14.191 241 HG3 PRO 30 HG1 PRO 30 4.385 3.202 13.960 242 HD2 PRO 30 HD2 PRO 30 5.368 4.961 12.221 243 HD3 PRO 30 HD1 PRO 30 4.706 3.402 11.692 244 H SER 31 HN SER 31 2.525 6.695 13.710 245 HA SER 31 HA SER 31 -0.039 7.534 14.334 246 HB2 SER 31 HB2 SER 31 1.644 9.838 14.022 247 HB3 SER 31 HB1 SER 31 1.152 9.031 15.515 248 HG SER 31 HG SER 31 3.226 8.599 15.622 249 H LEU 32 HN LEU 32 2.040 8.560 11.692 250 HA LEU 32 HA LEU 32 0.199 10.306 10.474 251 HB2 LEU 32 HB2 LEU 32 2.604 10.406 10.085 252 HB3 LEU 32 HB1 LEU 32 2.591 8.793 9.421 253 HG LEU 32 HG LEU 32 2.756 10.898 7.881 254 HD11 LEU 32 HD11 LEU 32 1.784 9.620 6.073 255 HD12 LEU 32 HD12 LEU 32 0.982 8.567 7.241 256 HD13 LEU 32 HD13 LEU 32 2.746 8.593 7.140 257 HD21 LEU 32 HD21 LEU 32 -0.187 10.655 8.396 258 HD22 LEU 32 HD22 LEU 32 0.493 11.430 6.960 259 HD23 LEU 32 HD23 LEU 32 0.841 12.082 8.561 260 H CYS 33 HN CYS 33 0.799 6.866 10.283 261 HA CYS 33 HA CYS 33 -0.659 6.250 7.929 262 HB2 CYS 33 HB2 CYS 33 0.929 4.741 9.177 263 HB3 CYS 33 HB1 CYS 33 -0.290 4.602 10.452 264 HG CYS 33 HG CYS 33 0.113 2.746 7.831 265 H LYS 34 HN LYS 34 -1.402 6.735 11.242 266 HA LYS 34 HA LYS 34 -4.026 5.708 11.274 267 HB2 LYS 34 HB2 LYS 34 -3.005 5.715 13.304 268 HB3 LYS 34 HB1 LYS 34 -2.230 7.265 13.035 269 HG2 LYS 34 HG2 LYS 34 -4.861 7.967 13.116 270 HG3 LYS 34 HG1 LYS 34 -4.777 6.647 14.294 271 HD2 LYS 34 HD2 LYS 34 -2.521 8.027 14.907 272 HD3 LYS 34 HD1 LYS 34 -3.594 9.336 14.389 273 HE2 LYS 34 HE2 LYS 34 -3.726 8.880 16.819 274 HE3 LYS 34 HE1 LYS 34 -5.267 8.669 15.992 275 HZ1 LYS 34 HZ1 LYS 34 -4.604 6.889 17.637 276 HZ2 LYS 34 HZ2 LYS 34 -3.446 6.397 16.509 277 HZ3 LYS 34 HZ3 LYS 34 -5.087 6.352 16.109 278 H GLU 35 HN GLU 35 -2.752 8.934 10.438 279 HA GLU 35 HA GLU 35 -5.379 10.076 10.832 280 HB2 GLU 35 HB2 GLU 35 -4.339 11.912 9.234 281 HB3 GLU 35 HB1 GLU 35 -4.025 11.865 10.953 282 HG2 GLU 35 HG2 GLU 35 -2.009 10.372 10.234 283 HG3 GLU 35 HG1 GLU 35 -2.251 11.193 8.693 284 H TRP 36 HN TRP 36 -3.837 8.233 8.412 285 HA TRP 36 HA TRP 36 -5.313 9.182 6.200 286 HB2 TRP 36 HB2 TRP 36 -4.134 6.443 6.741 287 HB3 TRP 36 HB1 TRP 36 -4.855 6.923 5.204 288 HD1 TRP 36 HD1 TRP 36 -2.645 9.355 7.153 289 HE1 TRP 36 HE1 TRP 36 -0.517 9.828 5.794 290 HE3 TRP 36 HE3 TRP 36 -3.267 5.874 3.446 291 HZ2 TRP 36 HZ2 TRP 36 0.754 8.833 3.478 292 HZ3 TRP 36 HZ3 TRP 36 -1.551 5.716 1.687 293 HH2 TRP 36 HH2 TRP 36 0.424 7.158 1.713 294 H GLU 37 HN GLU 37 -6.011 7.155 8.921 295 HA GLU 37 HA GLU 37 -8.379 5.941 7.954 296 HB2 GLU 37 HB2 GLU 37 -7.929 6.722 10.834 297 HB3 GLU 37 HB1 GLU 37 -8.838 5.351 10.214 298 HG2 GLU 37 HG2 GLU 37 -5.942 5.438 9.609 299 HG3 GLU 37 HG1 GLU 37 -6.424 5.163 11.278 300 H ALA 38 HN ALA 38 -7.588 9.021 9.394 301 HA ALA 38 HA ALA 38 -10.152 9.949 10.049 302 HB1 ALA 38 HB1 ALA 38 -9.078 12.219 9.937 303 HB2 ALA 38 HB2 ALA 38 -7.605 11.411 9.400 304 HB3 ALA 38 HB3 ALA 38 -8.274 11.057 10.993 305 H ALA 39 HN ALA 39 -8.427 9.701 7.060 306 HA ALA 39 HA ALA 39 -10.171 11.546 5.668 307 HB1 ALA 39 HB1 ALA 39 -8.171 9.653 4.447 308 HB2 ALA 39 HB2 ALA 39 -7.732 11.226 5.113 309 HB3 ALA 39 HB3 ALA 39 -8.840 11.128 3.744 310 H VAL 40 HN VAL 40 -9.935 8.167 6.363 311 HA VAL 40 HA VAL 40 -11.898 7.397 4.333 312 HB VAL 40 HB VAL 40 -11.013 5.525 6.463 313 HG11 VAL 40 HG11 VAL 40 -11.519 5.298 3.507 314 HG12 VAL 40 HG12 VAL 40 -12.574 4.752 4.809 315 HG13 VAL 40 HG13 VAL 40 -11.023 3.958 4.538 316 HG21 VAL 40 HG21 VAL 40 -8.919 5.010 5.425 317 HG22 VAL 40 HG22 VAL 40 -8.936 6.749 5.726 318 HG23 VAL 40 HG23 VAL 40 -9.241 6.128 4.103 319 H ARG 41 HN ARG 41 -12.887 9.215 5.918 320 HA ARG 41 HA ARG 41 -14.146 8.486 8.311 321 HB2 ARG 41 HB2 ARG 41 -15.246 10.563 8.192 322 HB3 ARG 41 HB1 ARG 41 -13.697 10.810 7.400 323 HG2 ARG 41 HG2 ARG 41 -16.266 10.259 5.920 324 HG3 ARG 41 HG1 ARG 41 -15.653 11.875 6.265 325 HD2 ARG 41 HD2 ARG 41 -13.516 11.108 5.085 326 HD3 ARG 41 HD1 ARG 41 -14.480 9.753 4.497 327 HE ARG 41 HE ARG 41 -16.013 11.640 3.651 328 HH11 ARG 41 HH11 ARG 41 -12.513 11.744 3.753 329 HH12 ARG 41 HH12 ARG 41 -12.384 12.870 2.441 330 HH21 ARG 41 HH21 ARG 41 -15.841 13.082 1.897 331 HH22 ARG 41 HH22 ARG 41 -14.275 13.636 1.387 332 H ARG 42 HN ARG 42 -14.793 6.770 5.751 333 HA ARG 42 HA ARG 42 -17.707 7.010 5.956 334 HB2 ARG 42 HB2 ARG 42 -15.977 6.680 3.723 335 HB3 ARG 42 HB1 ARG 42 -17.011 5.260 3.839 336 HG2 ARG 42 HG2 ARG 42 -18.009 6.992 2.438 337 HG3 ARG 42 HG1 ARG 42 -18.986 6.677 3.874 338 HD2 ARG 42 HD2 ARG 42 -17.491 8.632 4.859 339 HD3 ARG 42 HD1 ARG 42 -17.362 9.057 3.157 340 HE ARG 42 HE ARG 42 -19.798 9.236 3.117 341 HH11 ARG 42 HH11 ARG 42 -18.279 9.165 6.289 342 HH12 ARG 42 HH12 ARG 42 -19.556 10.054 7.051 343 HH21 ARG 42 HH21 ARG 42 -21.467 10.407 4.137 344 HH22 ARG 42 HH22 ARG 42 -21.368 10.756 5.833 345 H LYS 43 HN LYS 43 -19.007 5.128 6.044 346 HA LYS 43 HA LYS 43 -18.302 3.276 7.989 347 HB2 LYS 43 HB2 LYS 43 -20.564 3.229 7.798 348 HB3 LYS 43 HB1 LYS 43 -20.520 3.627 6.087 349 HG2 LYS 43 HG2 LYS 43 -19.888 1.258 5.626 350 HG3 LYS 43 HG1 LYS 43 -20.168 0.907 7.329 351 HD2 LYS 43 HD2 LYS 43 -22.502 1.532 7.109 352 HD3 LYS 43 HD1 LYS 43 -22.233 2.042 5.439 353 HE2 LYS 43 HE2 LYS 43 -21.515 -0.308 4.938 354 HE3 LYS 43 HE1 LYS 43 -22.053 -0.749 6.557 355 HZ1 LYS 43 HZ1 LYS 43 -23.766 -1.224 4.964 356 HZ2 LYS 43 HZ2 LYS 43 -23.738 0.362 4.382 357 HZ3 LYS 43 HZ3 LYS 43 -24.276 0.047 5.955 358 H ASN 44 HN ASN 44 -18.225 2.982 4.470 359 HA ASN 44 HA ASN 44 -17.258 0.276 4.629 360 HB2 ASN 44 HB2 ASN 44 -16.898 0.874 2.023 361 HB3 ASN 44 HB1 ASN 44 -18.418 0.307 2.693 362 HD21 ASN 44 HD21 ASN 44 -19.740 1.272 1.263 363 HD22 ASN 44 HD22 ASN 44 -19.917 2.986 1.109 364 H PHE 45 HN PHE 45 -15.500 1.218 6.041 365 HA PHE 45 HA PHE 45 -13.287 2.538 4.872 366 HB2 PHE 45 HB2 PHE 45 -13.733 2.326 7.353 367 HB3 PHE 45 HB1 PHE 45 -13.285 0.631 7.240 368 HD1 PHE 45 HD1 PHE 45 -10.915 0.145 6.306 369 HD2 PHE 45 HD2 PHE 45 -12.101 3.912 7.872 370 HE1 PHE 45 HE1 PHE 45 -8.564 0.718 6.680 371 HE2 PHE 45 HE2 PHE 45 -9.751 4.506 8.238 372 HZ PHE 45 HZ PHE 45 -7.972 2.908 7.644 373 H LYS 46 HN LYS 46 -12.144 1.768 3.280 374 HA LYS 46 HA LYS 46 -12.232 -0.915 2.403 375 HB2 LYS 46 HB2 LYS 46 -11.282 1.607 1.485 376 HB3 LYS 46 HB1 LYS 46 -10.023 0.404 1.245 377 HG2 LYS 46 HG2 LYS 46 -11.107 -0.414 -0.509 378 HG3 LYS 46 HG1 LYS 46 -12.520 -0.725 0.491 379 HD2 LYS 46 HD2 LYS 46 -12.804 1.923 0.152 380 HD3 LYS 46 HD1 LYS 46 -11.981 1.514 -1.356 381 HE2 LYS 46 HE2 LYS 46 -14.587 0.439 -0.302 382 HE3 LYS 46 HE1 LYS 46 -14.304 1.345 -1.788 383 HZ1 LYS 46 HZ1 LYS 46 -13.452 -1.436 -1.200 384 HZ2 LYS 46 HZ2 LYS 46 -12.949 -0.572 -2.564 385 HZ3 LYS 46 HZ3 LYS 46 -14.588 -0.939 -2.350 386 HA PRO 47 HA PRO 47 -8.942 -3.202 4.139 387 HB2 PRO 47 HB2 PRO 47 -7.065 -2.680 1.885 388 HB3 PRO 47 HB1 PRO 47 -7.529 -4.214 2.645 389 HG2 PRO 47 HG2 PRO 47 -8.542 -3.551 0.304 390 HG3 PRO 47 HG1 PRO 47 -9.550 -4.329 1.541 391 HD2 PRO 47 HD2 PRO 47 -9.479 -1.473 0.692 392 HD3 PRO 47 HD1 PRO 47 -10.866 -2.453 1.178 393 H THR 48 HN THR 48 -6.986 -3.163 5.205 394 HA THR 48 HA THR 48 -6.406 -0.601 6.314 395 HB THR 48 HB THR 48 -5.229 -1.816 7.985 396 HG1 THR 48 HG1 THR 48 -4.792 -4.087 7.656 397 HG21 THR 48 HG21 THR 48 -6.911 -3.204 8.766 398 HG22 THR 48 HG22 THR 48 -7.333 -3.739 7.136 399 HG23 THR 48 HG23 THR 48 -7.765 -2.112 7.672 400 H LYS 49 HN LYS 49 -3.960 -0.715 7.163 401 HA LYS 49 HA LYS 49 -2.426 0.430 5.204 402 HB2 LYS 49 HB2 LYS 49 -0.517 -0.191 6.936 403 HB3 LYS 49 HB1 LYS 49 -1.702 1.064 7.250 404 HG2 LYS 49 HG2 LYS 49 -2.730 -1.442 8.157 405 HG3 LYS 49 HG1 LYS 49 -1.113 -1.193 8.817 406 HD2 LYS 49 HD2 LYS 49 -2.523 -0.169 10.383 407 HD3 LYS 49 HD1 LYS 49 -1.926 1.169 9.396 408 HE2 LYS 49 HE2 LYS 49 -3.958 1.336 8.211 409 HE3 LYS 49 HE1 LYS 49 -4.527 -0.219 8.810 410 HZ1 LYS 49 HZ1 LYS 49 -5.115 0.657 10.806 411 HZ2 LYS 49 HZ2 LYS 49 -5.385 2.016 9.825 412 HZ3 LYS 49 HZ3 LYS 49 -3.965 1.896 10.752 413 H TYR 50 HN TYR 50 -2.993 -2.900 5.501 414 HA TYR 50 HA TYR 50 -0.380 -3.647 4.521 415 HB2 TYR 50 HB2 TYR 50 -2.943 -5.136 4.906 416 HB3 TYR 50 HB1 TYR 50 -1.556 -5.865 4.122 417 HD1 TYR 50 HD1 TYR 50 0.592 -6.051 5.415 418 HD2 TYR 50 HD2 TYR 50 -3.117 -5.054 7.235 419 HE1 TYR 50 HE1 TYR 50 1.482 -6.785 7.577 420 HE2 TYR 50 HE2 TYR 50 -2.232 -5.773 9.429 421 HH TYR 50 HH TYR 50 -0.167 -7.680 9.995 422 H SER 51 HN SER 51 -3.521 -2.828 3.220 423 HA SER 51 HA SER 51 -2.945 -3.905 0.632 424 HB2 SER 51 HB2 SER 51 -4.940 -2.508 -0.084 425 HB3 SER 51 HB1 SER 51 -5.242 -3.775 1.100 426 HG SER 51 HG SER 51 -5.285 -2.219 2.706 427 H SER 52 HN SER 52 -3.167 -2.257 -1.294 428 HA SER 52 HA SER 52 -1.107 -0.263 -0.778 429 HB2 SER 52 HB2 SER 52 -1.073 -0.607 -3.462 430 HB3 SER 52 HB1 SER 52 -0.114 -1.554 -2.321 431 HG SER 52 HG SER 52 -1.150 -3.204 -3.274 432 H ILE 53 HN ILE 53 -1.189 1.772 -1.700 433 HA ILE 53 HA ILE 53 -3.895 2.718 -2.399 434 HB ILE 53 HB ILE 53 -1.696 4.198 -0.902 435 HG12 ILE 53 HG12 ILE 53 -3.551 4.137 0.923 436 HG13 ILE 53 HG11 ILE 53 -4.184 2.781 0.002 437 HG21 ILE 53 HG21 ILE 53 -2.945 5.796 -2.141 438 HG22 ILE 53 HG22 ILE 53 -3.493 5.875 -0.459 439 HG23 ILE 53 HG23 ILE 53 -4.478 5.049 -1.666 440 HD11 ILE 53 HD11 ILE 53 -2.848 1.498 1.223 441 HD12 ILE 53 HD12 ILE 53 -1.974 2.889 1.863 442 HD13 ILE 53 HD13 ILE 53 -1.495 2.186 0.316 443 H CYS 54 HN CYS 54 -3.792 4.814 -3.792 444 HA CYS 54 HA CYS 54 -1.532 4.536 -5.623 445 HB2 CYS 54 HB2 CYS 54 -2.952 5.008 -7.480 446 HB3 CYS 54 HB1 CYS 54 -3.683 3.725 -6.540 447 H SER 55 HN SER 55 -0.962 6.396 -6.891 448 HA SER 55 HA SER 55 0.038 8.452 -5.417 449 HB2 SER 55 HB2 SER 55 0.365 9.586 -7.656 450 HB3 SER 55 HB1 SER 55 0.949 7.926 -7.535 451 HG SER 55 HG SER 55 -0.654 8.846 -9.333 452 H GLU 56 HN GLU 56 -2.697 8.895 -7.619 453 HA GLU 56 HA GLU 56 -3.297 11.496 -7.438 454 HB2 GLU 56 HB2 GLU 56 -5.795 10.538 -7.476 455 HB3 GLU 56 HB1 GLU 56 -4.701 10.420 -8.851 456 HG2 GLU 56 HG2 GLU 56 -4.304 8.188 -8.525 457 HG3 GLU 56 HG1 GLU 56 -4.680 8.261 -6.813 458 H HIS 57 HN HIS 57 -3.523 9.425 -4.717 459 HA HIS 57 HA HIS 57 -5.530 11.061 -3.408 460 HB2 HIS 57 HB2 HIS 57 -3.991 8.645 -2.459 461 HB3 HIS 57 HB1 HIS 57 -5.241 9.469 -1.523 462 HD1 HIS 57 HD1 HIS 57 -7.594 9.748 -3.141 463 HD2 HIS 57 HD2 HIS 57 -5.012 6.556 -3.785 464 HE1 HIS 57 HE1 HIS 57 -8.924 8.006 -4.408 465 H PHE 58 HN PHE 58 -2.082 11.124 -3.589 466 HA PHE 58 HA PHE 58 -2.131 13.052 -1.369 467 HB2 PHE 58 HB2 PHE 58 0.495 11.972 -1.437 468 HB3 PHE 58 HB1 PHE 58 -0.681 11.886 -0.123 469 HD1 PHE 58 HD1 PHE 58 0.735 10.185 -3.012 470 HD2 PHE 58 HD2 PHE 58 -1.867 9.873 0.324 471 HE1 PHE 58 HE1 PHE 58 0.697 7.751 -3.290 472 HE2 PHE 58 HE2 PHE 58 -1.927 7.434 0.058 473 HZ PHE 58 HZ PHE 58 -0.638 6.362 -1.750 474 H THR 59 HN THR 59 -0.271 14.506 -1.397 475 HA THR 59 HA THR 59 0.104 15.580 -4.025 476 HB THR 59 HB THR 59 1.733 17.091 -2.604 477 HG1 THR 59 HG1 THR 59 1.669 16.737 -0.514 478 HG21 THR 59 HG21 THR 59 -1.269 17.035 -2.487 479 HG22 THR 59 HG22 THR 59 -0.225 18.004 -3.531 480 HG23 THR 59 HG23 THR 59 -0.321 18.359 -1.806 481 HA PRO 60 HA PRO 60 3.752 13.513 -5.381 482 HB2 PRO 60 HB2 PRO 60 5.114 15.889 -6.117 483 HB3 PRO 60 HB1 PRO 60 4.082 14.904 -7.164 484 HG2 PRO 60 HG2 PRO 60 3.399 17.363 -5.636 485 HG3 PRO 60 HG1 PRO 60 2.847 16.836 -7.238 486 HD2 PRO 60 HD2 PRO 60 1.238 16.639 -5.155 487 HD3 PRO 60 HD1 PRO 60 1.335 15.310 -6.332 488 H ASP 61 HN ASP 61 3.991 16.389 -3.412 489 HA ASP 61 HA ASP 61 6.641 16.182 -2.531 490 HB2 ASP 61 HB2 ASP 61 4.525 17.069 -0.623 491 HB3 ASP 61 HB1 ASP 61 6.090 17.803 -0.966 492 H SER 62 HN SER 62 3.693 14.730 -1.283 493 HA SER 62 HA SER 62 5.137 13.377 0.860 494 HB2 SER 62 HB2 SER 62 2.732 14.510 0.895 495 HB3 SER 62 HB1 SER 62 2.237 12.897 0.370 496 HG SER 62 HG SER 62 2.611 12.179 2.307 497 H PHE 63 HN PHE 63 4.501 12.775 -2.307 498 HA PHE 63 HA PHE 63 3.350 10.452 -2.764 499 HB2 PHE 63 HB2 PHE 63 5.769 11.572 -3.971 500 HB3 PHE 63 HB1 PHE 63 5.507 9.865 -4.226 501 HD1 PHE 63 HD2 PHE 63 2.344 10.304 -4.138 502 HD2 PHE 63 HD1 PHE 63 5.574 11.946 -6.372 503 HE1 PHE 63 HE2 PHE 63 0.811 10.801 -5.967 504 HE2 PHE 63 HE1 PHE 63 4.029 12.434 -8.225 505 HZ PHE 63 HZ PHE 63 1.643 11.865 -8.022 506 H LYS 64 HN LYS 64 6.748 10.326 -1.495 507 HA LYS 64 HA LYS 64 6.268 7.902 -0.118 508 HB2 LYS 64 HB2 LYS 64 7.549 6.354 -1.607 509 HB3 LYS 64 HB1 LYS 64 6.009 6.881 -2.262 510 HG2 LYS 64 HG2 LYS 64 7.069 8.399 -3.764 511 HG3 LYS 64 HG1 LYS 64 8.631 8.180 -2.977 512 HD2 LYS 64 HD2 LYS 64 8.748 6.900 -4.929 513 HD3 LYS 64 HD1 LYS 64 8.441 5.735 -3.640 514 HE2 LYS 64 HE2 LYS 64 5.942 6.125 -4.260 515 HE3 LYS 64 HE1 LYS 64 6.604 6.731 -5.777 516 HZ1 LYS 64 HZ1 LYS 64 7.951 4.499 -5.638 517 HZ2 LYS 64 HZ2 LYS 64 6.389 4.537 -6.285 518 HZ3 LYS 64 HZ3 LYS 64 6.631 4.009 -4.694 519 H ARG 65 HN ARG 65 8.960 6.765 -1.006 520 HA ARG 65 HA ARG 65 10.546 7.937 0.999 521 HB2 ARG 65 HB2 ARG 65 12.432 6.598 -0.131 522 HB3 ARG 65 HB1 ARG 65 11.100 5.721 0.596 523 HG2 ARG 65 HG2 ARG 65 10.145 5.790 -1.850 524 HG3 ARG 65 HG1 ARG 65 11.841 6.040 -2.269 525 HD2 ARG 65 HD2 ARG 65 11.266 3.876 -0.341 526 HD3 ARG 65 HD1 ARG 65 10.707 3.611 -1.987 527 HE ARG 65 HE ARG 65 13.338 4.441 -2.192 528 HH11 ARG 65 HH11 ARG 65 11.647 1.769 -0.678 529 HH12 ARG 65 HH12 ARG 65 12.944 0.640 -0.901 530 HH21 ARG 65 HH21 ARG 65 15.059 2.962 -2.509 531 HH22 ARG 65 HH22 ARG 65 14.895 1.313 -1.984 532 H GLU 66 HN GLU 66 9.877 9.037 -2.062 533 HA GLU 66 HA GLU 66 12.398 10.385 -2.501 534 HB2 GLU 66 HB2 GLU 66 9.773 10.684 -4.014 535 HB3 GLU 66 HB1 GLU 66 11.338 11.316 -4.496 536 HG2 GLU 66 HG2 GLU 66 12.202 9.091 -4.796 537 HG3 GLU 66 HG1 GLU 66 10.707 8.395 -4.173 538 H SER 67 HN SER 67 10.159 10.796 -0.284 539 HA SER 67 HA SER 67 9.451 13.555 -0.533 540 HB2 SER 67 HB2 SER 67 7.961 12.102 0.628 541 HB3 SER 67 HB1 SER 67 9.232 11.486 1.665 542 HG SER 67 HG SER 67 8.300 12.912 2.947 543 H ASN 68 HN ASN 68 10.400 13.078 2.632 544 HA ASN 68 HA ASN 68 12.534 15.000 2.362 545 HB2 ASN 68 HB2 ASN 68 10.859 13.972 4.562 546 HB3 ASN 68 HB1 ASN 68 12.500 14.420 5.015 547 HD21 ASN 68 HD21 ASN 68 13.127 16.565 4.885 548 HD22 ASN 68 HD22 ASN 68 11.988 17.850 4.686 549 H ASN 69 HN ASN 69 12.467 12.106 4.445 550 HA ASN 69 HA ASN 69 15.295 11.730 3.778 551 HB2 ASN 69 HB2 ASN 69 14.876 11.915 6.150 552 HB3 ASN 69 HB1 ASN 69 13.658 10.649 6.077 553 HD21 ASN 69 HD21 ASN 69 14.295 8.663 6.551 554 HD22 ASN 69 HD22 ASN 69 15.927 8.101 6.580 555 H LYS 70 HN LYS 70 12.672 9.460 4.652 556 HA LYS 70 HA LYS 70 13.353 7.907 2.275 557 HB2 LYS 70 HB2 LYS 70 14.388 7.242 4.735 558 HB3 LYS 70 HB1 LYS 70 12.971 6.212 4.623 559 HG2 LYS 70 HG2 LYS 70 14.872 5.022 3.776 560 HG3 LYS 70 HG1 LYS 70 13.784 5.392 2.436 561 HD2 LYS 70 HD2 LYS 70 15.187 7.229 1.737 562 HD3 LYS 70 HD1 LYS 70 16.213 7.033 3.158 563 HE2 LYS 70 HE2 LYS 70 16.927 4.850 2.358 564 HE3 LYS 70 HE1 LYS 70 15.857 4.989 0.966 565 HZ1 LYS 70 HZ1 LYS 70 18.126 6.813 1.544 566 HZ2 LYS 70 HZ2 LYS 70 17.140 6.854 0.173 567 HZ3 LYS 70 HZ3 LYS 70 18.174 5.537 0.432 568 H LEU 71 HN LEU 71 10.974 9.324 4.025 569 HA LEU 71 HA LEU 71 8.985 7.707 2.703 570 HB2 LEU 71 HB2 LEU 71 9.588 7.163 5.375 571 HB3 LEU 71 HB1 LEU 71 8.108 8.102 5.431 572 HG LEU 71 HG LEU 71 8.465 5.325 4.796 573 HD11 LEU 71 HD11 LEU 71 5.966 5.402 4.903 574 HD12 LEU 71 HD12 LEU 71 6.097 7.149 5.112 575 HD13 LEU 71 HD13 LEU 71 6.801 6.062 6.308 576 HD21 LEU 71 HD21 LEU 71 8.548 5.853 2.471 577 HD22 LEU 71 HD22 LEU 71 7.206 6.990 2.616 578 HD23 LEU 71 HD23 LEU 71 6.926 5.261 2.822 579 H LEU 72 HN LEU 72 6.683 8.618 3.428 580 HA LEU 72 HA LEU 72 6.535 11.229 2.430 581 HB2 LEU 72 HB2 LEU 72 4.289 10.535 4.139 582 HB3 LEU 72 HB1 LEU 72 4.315 10.928 2.431 583 HG LEU 72 HG LEU 72 5.327 8.378 2.411 584 HD11 LEU 72 HD11 LEU 72 4.350 7.033 3.967 585 HD12 LEU 72 HD12 LEU 72 3.016 8.149 4.255 586 HD13 LEU 72 HD13 LEU 72 4.607 8.483 4.940 587 HD21 LEU 72 HD21 LEU 72 3.604 9.250 0.923 588 HD22 LEU 72 HD22 LEU 72 2.433 9.214 2.241 589 HD23 LEU 72 HD23 LEU 72 3.108 7.708 1.621 590 H LYS 73 HN LYS 73 5.407 13.040 3.536 591 HA LYS 73 HA LYS 73 6.870 13.693 5.914 592 HB2 LYS 73 HB2 LYS 73 5.085 15.737 5.676 593 HB3 LYS 73 HB1 LYS 73 6.661 15.688 4.918 594 HG2 LYS 73 HG2 LYS 73 4.252 14.622 3.504 595 HG3 LYS 73 HG1 LYS 73 4.612 16.346 3.516 596 HD2 LYS 73 HD2 LYS 73 6.302 14.114 2.403 597 HD3 LYS 73 HD1 LYS 73 5.530 15.423 1.513 598 HE2 LYS 73 HE2 LYS 73 7.116 16.725 3.365 599 HE3 LYS 73 HE1 LYS 73 8.086 15.333 2.882 600 HZ1 LYS 73 HZ1 LYS 73 7.668 16.011 0.541 601 HZ2 LYS 73 HZ2 LYS 73 8.595 17.114 1.430 602 HZ3 LYS 73 HZ3 LYS 73 6.962 17.438 1.122 603 H GLU 74 HN GLU 74 6.279 13.255 7.830 604 HA GLU 74 HA GLU 74 4.153 11.777 8.669 605 HB2 GLU 74 HB2 GLU 74 4.779 12.249 10.877 606 HB3 GLU 74 HB1 GLU 74 6.260 12.344 9.937 607 HG2 GLU 74 HG2 GLU 74 4.606 14.726 10.736 608 HG3 GLU 74 HG1 GLU 74 5.978 14.121 11.665 609 H ASN 75 HN ASN 75 4.112 15.186 8.067 610 HA ASN 75 HA ASN 75 1.553 15.436 9.455 611 HB2 ASN 75 HB2 ASN 75 3.691 17.288 8.709 612 HB3 ASN 75 HB1 ASN 75 2.065 17.921 8.474 613 HD21 ASN 75 HD21 ASN 75 2.767 15.532 10.881 614 HD22 ASN 75 HD22 ASN 75 2.585 16.559 12.256 615 H ALA 76 HN ALA 76 2.295 14.334 6.585 616 HA ALA 76 HA ALA 76 0.109 15.780 5.228 617 HB1 ALA 76 HB1 ALA 76 2.355 14.228 3.931 618 HB2 ALA 76 HB2 ALA 76 2.295 15.984 4.095 619 HB3 ALA 76 HB3 ALA 76 1.102 15.147 3.098 620 H VAL 77 HN VAL 77 -1.669 14.757 4.824 621 HA VAL 77 HA VAL 77 -1.656 11.837 4.621 622 HB VAL 77 HB VAL 77 -2.429 12.015 6.796 623 HG11 VAL 77 HG11 VAL 77 -3.810 13.676 7.738 624 HG12 VAL 77 HG12 VAL 77 -4.233 14.323 6.149 625 HG13 VAL 77 HG13 VAL 77 -2.590 14.509 6.768 626 HG21 VAL 77 HG21 VAL 77 -4.864 12.093 5.031 627 HG22 VAL 77 HG22 VAL 77 -4.919 11.690 6.748 628 HG23 VAL 77 HG23 VAL 77 -4.008 10.671 5.633 629 HA PRO 78 HA PRO 78 -3.698 12.421 0.759 630 HB2 PRO 78 HB2 PRO 78 -5.358 10.162 0.994 631 HB3 PRO 78 HB1 PRO 78 -3.717 10.180 0.321 632 HG2 PRO 78 HG2 PRO 78 -4.627 9.439 3.039 633 HG3 PRO 78 HG1 PRO 78 -3.334 8.743 2.039 634 HD2 PRO 78 HD2 PRO 78 -2.730 10.340 4.061 635 HD3 PRO 78 HD1 PRO 78 -1.845 10.457 2.528 636 H THR 79 HN THR 79 -4.993 14.182 0.891 637 HA THR 79 HA THR 79 -7.636 13.853 2.125 638 HB THR 79 HB THR 79 -6.029 15.855 2.641 639 HG1 THR 79 HG1 THR 79 -7.825 16.490 3.531 640 HG21 THR 79 HG21 THR 79 -7.396 16.925 0.171 641 HG22 THR 79 HG22 THR 79 -5.703 16.440 0.231 642 HG23 THR 79 HG23 THR 79 -6.271 17.781 1.224 643 H ILE 80 HN ILE 80 -6.023 13.839 -0.814 644 HA ILE 80 HA ILE 80 -8.035 14.935 -2.522 645 HB ILE 80 HB ILE 80 -6.070 12.968 -3.587 646 HG12 ILE 80 HG12 ILE 80 -5.066 14.702 -1.777 647 HG13 ILE 80 HG11 ILE 80 -4.170 14.150 -3.181 648 HG21 ILE 80 HG21 ILE 80 -5.913 14.682 -5.382 649 HG22 ILE 80 HG22 ILE 80 -7.132 15.624 -4.525 650 HG23 ILE 80 HG23 ILE 80 -7.532 14.023 -5.148 651 HD11 ILE 80 HD11 ILE 80 -5.676 16.747 -2.925 652 HD12 ILE 80 HD12 ILE 80 -4.852 16.190 -4.382 653 HD13 ILE 80 HD13 ILE 80 -3.923 16.529 -2.924 654 H PHE 81 HN PHE 81 -8.293 12.345 -0.656 655 HA PHE 81 HA PHE 81 -8.941 10.103 -2.074 656 HB2 PHE 81 HB2 PHE 81 -10.009 11.285 0.447 657 HB3 PHE 81 HB1 PHE 81 -10.835 9.895 -0.237 658 HD1 PHE 81 HD2 PHE 81 -7.478 9.580 -1.130 659 HD2 PHE 81 HD1 PHE 81 -10.079 9.212 2.215 660 HE1 PHE 81 HE2 PHE 81 -5.872 8.064 -0.056 661 HE2 PHE 81 HE1 PHE 81 -8.473 7.699 3.298 662 HZ PHE 81 HZ PHE 81 -6.363 7.123 2.159 663 H LEU 82 HN LEU 82 -11.160 12.810 -1.409 664 HA LEU 82 HA LEU 82 -12.550 12.508 -3.856 665 HB2 LEU 82 HB2 LEU 82 -13.387 10.806 -1.740 666 HB3 LEU 82 HB1 LEU 82 -14.607 12.048 -1.911 667 HG LEU 82 HG LEU 82 -14.430 9.669 -3.341 668 HD11 LEU 82 HD11 LEU 82 -16.430 10.367 -4.347 669 HD12 LEU 82 HD12 LEU 82 -16.001 12.070 -4.220 670 HD13 LEU 82 HD13 LEU 82 -16.396 11.151 -2.768 671 HD21 LEU 82 HD21 LEU 82 -13.856 11.934 -5.244 672 HD22 LEU 82 HD22 LEU 82 -14.110 10.238 -5.637 673 HD23 LEU 82 HD23 LEU 82 -12.668 10.727 -4.749 674 H GLU 83 HN GLU 83 -14.449 14.000 -3.930 675 HA GLU 83 HA GLU 83 -13.846 16.460 -2.619 676 HB2 GLU 83 HB2 GLU 83 -14.699 16.546 -4.864 677 HB3 GLU 83 HB1 GLU 83 -16.108 15.592 -4.429 678 HG2 GLU 83 HG2 GLU 83 -16.767 17.868 -4.705 679 HG3 GLU 83 HG1 GLU 83 -16.870 17.456 -2.996 680 H LEU 84 HN LEU 84 -16.678 14.308 -2.593 681 HA LEU 84 HA LEU 84 -17.031 14.660 0.239 682 HB2 LEU 84 HB2 LEU 84 -18.172 16.628 -1.099 683 HB3 LEU 84 HB1 LEU 84 -19.410 15.429 -1.404 684 HG LEU 84 HG LEU 84 -19.924 16.929 0.504 685 HD11 LEU 84 HD11 LEU 84 -20.508 15.144 2.126 686 HD12 LEU 84 HD12 LEU 84 -19.580 14.011 1.144 687 HD13 LEU 84 HD13 LEU 84 -21.007 14.801 0.469 688 HD21 LEU 84 HD21 LEU 84 -18.730 16.666 2.609 689 HD22 LEU 84 HD22 LEU 84 -17.657 17.258 1.342 690 HD23 LEU 84 HD23 LEU 84 -17.589 15.567 1.834 691 H VAL 85 HN VAL 85 -19.062 13.786 -2.573 692 HA VAL 85 HA VAL 85 -18.964 11.009 -1.908 693 HB VAL 85 HB VAL 85 -20.573 11.714 -0.241 694 HG11 VAL 85 HG11 VAL 85 -22.298 12.742 -2.483 695 HG12 VAL 85 HG12 VAL 85 -21.323 13.766 -1.428 696 HG13 VAL 85 HG13 VAL 85 -22.643 12.809 -0.754 697 HG21 VAL 85 HG21 VAL 85 -22.531 10.336 -0.918 698 HG22 VAL 85 HG22 VAL 85 -20.972 9.542 -1.146 699 HG23 VAL 85 HG23 VAL 85 -21.827 10.224 -2.529 700 HA PRO 86 HA PRO 86 -19.807 10.895 -6.273 701 HB2 PRO 86 HB2 PRO 86 -20.541 8.082 -5.929 702 HB3 PRO 86 HB1 PRO 86 -19.143 8.773 -6.768 703 HG2 PRO 86 HG2 PRO 86 -18.951 7.393 -4.450 704 HG3 PRO 86 HG1 PRO 86 -17.806 8.654 -4.947 705 HD2 PRO 86 HD2 PRO 86 -20.012 8.794 -2.951 706 HD3 PRO 86 HD1 PRO 86 -18.432 9.593 -2.949 707 H ARG 87 HN ARG 87 -21.624 10.209 -7.738 708 HA ARG 87 HA ARG 87 -24.163 9.995 -6.294 709 HB2 ARG 87 HB2 ARG 87 -25.059 11.601 -8.153 710 HB3 ARG 87 HB1 ARG 87 -24.277 12.253 -6.719 711 HG2 ARG 87 HG2 ARG 87 -22.985 13.408 -8.107 712 HG3 ARG 87 HG1 ARG 87 -22.192 11.882 -8.494 713 HD2 ARG 87 HD2 ARG 87 -22.864 13.017 -10.522 714 HD3 ARG 87 HD1 ARG 87 -23.788 11.530 -10.322 715 HE ARG 87 HE ARG 87 -24.805 14.263 -9.955 716 HH11 ARG 87 HH11 ARG 87 -25.386 10.817 -10.229 717 HH12 ARG 87 HH12 ARG 87 -27.102 11.002 -10.417 718 HH21 ARG 87 HH21 ARG 87 -27.062 14.495 -10.181 719 HH22 ARG 87 HH22 ARG 87 -28.056 13.089 -10.377 720 H5' DG 1 H5' G 1 32.661 -2.485 -6.276 721 H5'' DG 1 H5'' G 1 31.738 -2.736 -7.771 722 H4' DG 1 H4' G 1 31.933 -4.801 -6.522 723 H3' DG 1 H3' G 1 29.636 -4.137 -7.660 724 H2' DG 1 H2' G 1 28.674 -2.840 -5.898 725 H2'' DG 1 H2'' G 1 27.978 -4.417 -5.557 726 H1' DG 1 H1' G 1 29.515 -4.873 -3.804 727 H8 DG 1 H8 G 1 29.190 -1.201 -4.846 728 H1 DG 1 H1 G 1 29.495 -2.236 1.476 729 H21 DG 1 H21 G 1 30.126 -5.532 0.603 730 H22 DG 1 H22 G 1 29.924 -4.363 1.887 731 HO5' DG 1 H5T G 1 31.111 -1.290 -5.486 732 H5' DC 2 H5' C 2 29.696 -8.123 -5.066 733 H5'' DC 2 H5'' C 2 28.730 -9.281 -5.999 734 H4' DC 2 H4' C 2 28.723 -9.861 -3.652 735 H3' DC 2 H3' C 2 26.496 -9.996 -5.081 736 H2' DC 2 H2' C 2 25.706 -7.753 -4.801 737 H2'' DC 2 H2'' C 2 24.842 -8.568 -3.506 738 H1' DC 2 H1' C 2 26.354 -7.827 -1.833 739 H41 DC 2 H41 C 2 26.209 -1.587 -4.051 740 H42 DC 2 H42 C 2 26.197 -1.527 -2.309 741 H5 DC 2 H5 C 2 26.402 -3.677 -5.295 742 H6 DC 2 H6 C 2 26.633 -6.096 -5.097 743 H5' DT 3 H5' T 3 26.154 -10.281 -0.529 744 H5'' DT 3 H5'' T 3 25.558 -11.938 -0.307 745 H4' DT 3 H4' T 3 25.028 -10.866 1.686 746 H3' DT 3 H3' T 3 22.947 -11.912 0.417 747 H2' DT 3 H2' T 3 22.324 -10.043 -0.940 748 H2'' DT 3 H2'' T 3 21.274 -9.800 0.448 749 H1' DT 3 H1' T 3 22.675 -8.147 1.403 750 H3 DT 3 H3 T 3 23.082 -4.366 -0.874 751 H71 DT 3 H71 T 3 23.438 -8.410 -4.437 752 H72 DT 3 H72 T 3 23.878 -6.740 -4.874 753 H73 DT 3 H73 T 3 22.165 -7.197 -4.712 754 H6 DT 3 H6 T 3 23.260 -8.959 -2.159 755 H5' DT 4 H5' T 4 22.252 -9.191 4.004 756 H5'' DT 4 H5'' T 4 21.494 -10.307 5.158 757 H4' DT 4 H4' T 4 20.974 -8.199 5.977 758 H3' DT 4 H3' T 4 18.864 -9.714 5.462 759 H2' DT 4 H2' T 4 18.484 -9.100 3.174 760 H2'' DT 4 H2'' T 4 17.395 -7.995 3.999 761 H1' DT 4 H1' T 4 18.902 -6.164 3.835 762 H3 DT 4 H3 T 4 19.858 -4.709 -0.258 763 H71 DT 4 H71 T 4 20.544 -9.088 -1.782 764 H72 DT 4 H72 T 4 18.798 -9.302 -1.519 765 H73 DT 4 H73 T 4 19.966 -10.094 -0.433 766 H6 DT 4 H6 T 4 19.533 -9.069 1.650 767 H5' DG 5 H5' G 5 18.221 -5.214 6.626 768 H5'' DG 5 H5'' G 5 17.247 -5.448 8.091 769 H4' DG 5 H4' G 5 16.786 -3.269 7.460 770 H3' DG 5 H3' G 5 14.642 -4.819 7.583 771 H2' DG 5 H2' G 5 14.614 -5.644 5.335 772 H2'' DG 5 H2'' G 5 13.534 -4.264 5.188 773 H1' DG 5 H1' G 5 15.200 -2.876 4.226 774 H8 DG 5 H8 G 5 16.196 -6.608 4.155 775 H1 DG 5 H1 G 5 16.759 -3.447 -1.398 776 H21 DG 5 H21 G 5 15.857 -0.656 0.470 777 H22 DG 5 H22 G 5 16.291 -1.283 -1.100 778 H5' DT 6 H5' T 6 14.041 -0.593 5.653 779 H5'' DT 6 H5'' T 6 12.891 0.107 6.808 780 H4' DT 6 H4' T 6 12.561 1.334 4.859 781 H3' DT 6 H3' T 6 10.395 0.121 5.784 782 H2' DT 6 H2' T 6 10.596 -1.973 4.636 783 H2'' DT 6 H2'' T 6 9.532 -1.099 3.553 784 H1' DT 6 H1' T 6 11.293 -0.540 2.053 785 H3 DT 6 H3 T 6 13.347 -3.921 -0.032 786 H71 DT 6 H71 T 6 13.344 -6.479 3.892 787 H72 DT 6 H72 T 6 12.373 -5.508 5.026 788 H73 DT 6 H73 T 6 11.571 -6.450 3.748 789 H6 DT 6 H6 T 6 11.801 -3.282 4.435 790 H5' DG 7 H5' G 7 10.374 2.344 1.765 791 H5'' DG 7 H5'' G 7 9.036 3.495 1.933 792 H4' DG 7 H4' G 7 9.384 3.357 -0.358 793 H3' DG 7 H3' G 7 6.926 2.736 0.408 794 H2' DG 7 H2' G 7 7.210 0.381 0.768 795 H2'' DG 7 H2'' G 7 6.603 0.398 -0.883 796 H1' DG 7 H1' G 7 8.768 0.112 -1.829 797 H8 DG 7 H8 G 7 8.995 -0.599 1.971 798 H1 DG 7 H1 G 7 10.711 -5.386 -1.944 799 H21 DG 7 H21 G 7 10.149 -3.100 -4.472 800 H22 DG 7 H22 G 7 10.652 -4.716 -4.037 801 H5' DT 8 H5' T 8 8.061 1.211 -3.772 802 H5'' DT 8 H5'' T 8 7.069 2.321 -4.738 803 H4' DT 8 H4' T 8 7.397 0.541 -6.173 804 H3' DT 8 H3' T 8 4.850 1.005 -5.608 805 H2' DT 8 H2' T 8 4.614 -0.401 -3.673 806 H2'' DT 8 H2'' T 8 4.052 -1.484 -4.939 807 H1' DT 8 H1' T 8 6.124 -2.625 -5.085 808 H3 DT 8 H3 T 8 7.244 -5.080 -1.582 809 H71 DT 8 H71 T 8 5.409 -0.354 0.290 810 H72 DT 8 H72 T 8 6.565 -1.308 1.248 811 H73 DT 8 H73 T 8 4.882 -1.859 1.074 812 H6 DT 8 H6 T 8 5.629 -0.607 -2.015 813 H5' DG 9 H5' G 9 5.177 -3.802 -7.533 814 H5'' DG 9 H5'' G 9 4.478 -2.988 -8.949 815 H4' DG 9 H4' G 9 3.491 -5.058 -9.060 816 H3' DG 9 H3' G 9 1.748 -3.097 -8.666 817 H2' DG 9 H2' G 9 1.675 -3.067 -6.287 818 H2'' DG 9 H2'' G 9 0.327 -4.148 -6.629 819 H1' DG 9 H1' G 9 1.584 -6.103 -6.186 820 H8 DG 9 H8 G 9 2.343 -2.862 -4.470 821 H1 DG 9 H1 G 9 4.167 -8.051 -1.155 822 H21 DG 9 H21 G 9 3.742 -9.746 -4.128 823 H22 DG 9 H22 G 9 4.182 -9.830 -2.444 824 H5' DG 10 H5' G 10 0.625 -7.325 -8.353 825 H5'' DG 10 H5'' G 10 -0.373 -7.472 -9.811 826 H4' DG 10 H4' G 10 -0.814 -9.438 -8.707 827 H3' DG 10 H3' G 10 -2.974 -7.931 -9.015 828 H2' DG 10 H2' G 10 -2.876 -6.660 -6.982 829 H2'' DG 10 H2'' G 10 -3.937 -7.975 -6.491 830 H1' DG 10 H1' G 10 -2.215 -9.171 -5.424 831 H8 DG 10 H8 G 10 -1.685 -5.376 -5.763 832 H1 DG 10 H1 G 10 0.029 -8.078 -0.197 833 H21 DG 10 H21 G 10 -0.278 -11.055 -1.928 834 H22 DG 10 H22 G 10 0.120 -10.286 -0.411 835 H5' DG 11 H5' G 11 -2.858 -11.047 -5.859 836 H5'' DG 11 H5'' G 11 -3.316 -12.105 -7.205 837 H4' DG 11 H4' G 11 -3.441 -13.559 -5.459 838 H3' DG 11 H3' G 11 -5.820 -13.111 -6.534 839 H2' DG 11 H2' G 11 -6.529 -11.268 -5.205 840 H2'' DG 11 H2'' G 11 -7.243 -12.595 -4.300 841 H1' DG 11 H1' G 11 -5.512 -12.605 -2.668 842 H8 DG 11 H8 G 11 -5.732 -9.318 -4.686 843 H1 DG 11 H1 G 11 -4.899 -8.700 1.661 844 H21 DG 11 H21 G 11 -4.469 -12.129 1.624 845 H22 DG 11 H22 G 11 -4.497 -10.661 2.572 846 H5' DC 12 H5' C 12 -5.466 -15.553 -2.720 847 H5'' DC 12 H5'' C 12 -5.973 -17.134 -3.347 848 H4' DC 12 H4' C 12 -6.153 -17.356 -1.048 849 H3' DC 12 H3' C 12 -8.412 -17.776 -2.364 850 H2' DC 12 H2' C 12 -9.302 -15.571 -2.374 851 H2'' DC 12 H2'' C 12 -10.076 -16.207 -0.930 852 H1' DC 12 H1' C 12 -8.545 -15.125 0.535 853 H41 DC 12 H41 C 12 -8.985 -9.389 -2.754 854 H42 DC 12 H42 C 12 -8.930 -9.017 -1.047 855 H5 DC 12 H5 C 12 -8.773 -11.662 -3.607 856 H6 DC 12 H6 C 12 -8.453 -13.996 -2.994 857 H5' DA 13 H5' A 13 -8.409 -18.332 2.346 858 H5'' DA 13 H5'' A 13 -9.390 -19.783 2.628 859 H4' DA 13 H4' A 13 -9.390 -18.360 4.581 860 H3' DA 13 H3' A 13 -11.625 -19.510 3.746 861 H2' DA 13 H2' A 13 -12.392 -17.841 2.212 862 H2'' DA 13 H2'' A 13 -13.247 -17.352 3.668 863 H1' DA 13 H1' A 13 -11.715 -15.616 4.165 864 H8 DA 13 H8 A 13 -11.334 -16.820 0.486 865 H61 DA 13 H61 A 13 -11.624 -12.416 -1.552 866 H62 DA 13 H62 A 13 -11.741 -10.790 -0.910 867 H2 DA 13 H2 A 13 -11.774 -11.219 3.568 868 H5' DG 14 H5' G 14 -12.115 -16.415 7.486 869 H5'' DG 14 H5'' G 14 -12.972 -17.528 8.569 870 H4' DG 14 H4' G 14 -13.550 -15.315 9.205 871 H3' DG 14 H3' G 14 -15.515 -17.056 8.847 872 H2' DG 14 H2' G 14 -15.921 -16.719 6.511 873 H2'' DG 14 H2'' G 14 -17.105 -15.624 7.208 874 H1' DG 14 H1' G 14 -15.759 -13.702 6.834 875 H8 DG 14 H8 G 14 -14.661 -16.778 4.774 876 H1 DG 14 H1 G 14 -15.122 -11.232 1.572 877 H21 DG 14 H21 G 14 -15.755 -9.847 4.677 878 H22 DG 14 H22 G 14 -15.570 -9.587 2.954 879 H5' DC 15 H5' C 15 -16.963 -12.530 9.715 880 H5'' DC 15 H5'' C 15 -18.118 -12.834 11.027 881 H4' DC 15 H4' C 15 -18.818 -10.842 9.997 882 H3' DC 15 H3' C 15 -20.618 -12.784 10.194 883 H2' DC 15 H2' C 15 -20.282 -13.896 8.146 884 H2'' DC 15 H2'' C 15 -21.548 -12.780 7.656 885 H1' DC 15 H1' C 15 -20.045 -11.293 6.614 886 H41 DC 15 H41 C 15 -17.427 -16.411 3.420 887 H42 DC 15 H42 C 15 -17.406 -15.052 2.326 888 H5 DC 15 H5 C 15 -18.046 -16.194 5.767 889 H6 DC 15 H6 C 15 -18.847 -14.652 7.476 890 H5' DG 16 H5' G 16 -23.732 -8.616 9.800 891 H5'' DG 16 H5'' G 16 -25.250 -9.463 9.483 892 H4' DG 16 H4' G 16 -25.012 -7.184 8.457 893 H3' DG 16 H3' G 16 -26.380 -9.216 7.421 894 H2' DG 16 H2' G 16 -24.899 -10.250 6.070 895 H2'' DG 16 H2'' G 16 -25.522 -9.104 4.892 896 H1' DG 16 H1' G 16 -23.604 -7.751 5.026 897 H8 DG 16 H8 G 16 -22.127 -10.171 7.569 898 H1 DG 16 H1 G 16 -21.464 -12.108 1.500 899 H21 DG 16 H21 G 16 -23.151 -9.220 0.657 900 H22 DG 16 H22 G 16 -22.323 -10.664 0.128 901 H5' DC 17 H5' C 17 -23.354 -16.364 -4.764 902 H5'' DC 17 H5'' C 17 -22.010 -16.773 -5.846 903 H4' DC 17 H4' C 17 -22.555 -14.400 -5.925 904 H3' DC 17 H3' C 17 -20.038 -15.223 -6.009 905 H2' DC 17 H2' C 17 -19.574 -15.338 -3.661 906 H2'' DC 17 H2'' C 17 -18.990 -13.720 -4.036 907 H1' DC 17 H1' C 17 -20.934 -12.667 -3.187 908 H41 DC 17 H41 C 17 -20.544 -16.303 2.293 909 H42 DC 17 H42 C 17 -21.049 -14.708 2.786 910 H5 DC 17 H5 C 17 -20.333 -16.976 -0.023 911 H6 DC 17 H6 C 17 -20.485 -16.224 -2.334 912 H5' DG 18 H5' G 18 -20.819 -10.657 -5.549 913 H5'' DG 18 H5'' G 18 -19.870 -9.895 -6.839 914 H4' DG 18 H4' G 18 -20.245 -8.275 -5.141 915 H3' DG 18 H3' G 18 -17.773 -8.570 -6.047 916 H2' DG 18 H2' G 18 -16.993 -10.265 -4.551 917 H2'' DG 18 H2'' G 18 -16.457 -8.819 -3.705 918 H1' DG 18 H1' G 18 -18.256 -8.863 -2.173 919 H8 DG 18 H8 G 18 -17.761 -12.208 -4.026 920 H1 DG 18 H1 G 18 -18.440 -12.597 2.344 921 H21 DG 18 H21 G 18 -19.100 -9.201 2.167 922 H22 DG 18 H22 G 18 -18.951 -10.621 3.176 923 H5' DC 19 H5' C 19 -18.463 -5.973 -2.370 924 H5'' DC 19 H5'' C 19 -17.896 -4.357 -2.829 925 H4' DC 19 H4' C 19 -17.934 -4.381 -0.486 926 H3' DC 19 H3' C 19 -15.619 -3.686 -1.574 927 H2' DC 19 H2' C 19 -14.599 -5.844 -1.765 928 H2'' DC 19 H2'' C 19 -13.965 -5.325 -0.208 929 H1' DC 19 H1' C 19 -15.510 -6.621 1.023 930 H41 DC 19 H41 C 19 -14.643 -12.008 -2.742 931 H42 DC 19 H42 C 19 -14.739 -12.525 -1.077 932 H5 DC 19 H5 C 19 -14.950 -9.673 -3.408 933 H6 DC 19 H6 C 19 -15.369 -7.414 -2.596 934 H5' DT 20 H5' T 20 -15.607 -4.399 2.994 935 H5'' DT 20 H5'' T 20 -15.127 -2.819 3.645 936 H4' DT 20 H4' T 20 -14.638 -4.411 5.308 937 H3' DT 20 H3' T 20 -12.656 -2.790 4.640 938 H2' DT 20 H2' T 20 -11.698 -4.067 2.839 939 H2'' DT 20 H2'' T 20 -10.706 -4.598 4.190 940 H1' DT 20 H1' T 20 -11.908 -6.620 4.466 941 H3 DT 20 H3 T 20 -11.912 -9.596 1.178 942 H71 DT 20 H71 T 20 -12.363 -4.701 -1.071 943 H72 DT 20 H72 T 20 -11.126 -5.804 -1.720 944 H73 DT 20 H73 T 20 -12.852 -6.165 -1.954 945 H6 DT 20 H6 T 20 -12.339 -4.841 1.261 946 H5' DG 21 H5' G 21 -11.392 -6.468 7.682 947 H5'' DG 21 H5'' G 21 -10.823 -5.378 8.964 948 H4' DG 21 H4' G 21 -9.638 -7.364 9.295 949 H3' DG 21 H3' G 21 -8.145 -5.201 8.971 950 H2' DG 21 H2' G 21 -7.884 -5.242 6.591 951 H2'' DG 21 H2'' G 21 -6.432 -6.100 7.087 952 H1' DG 21 H1' G 21 -7.354 -8.227 6.622 953 H8 DG 21 H8 G 21 -8.846 -5.191 4.870 954 H1 DG 21 H1 G 21 -8.577 -10.535 1.339 955 H21 DG 21 H21 G 21 -7.785 -12.105 4.328 956 H22 DG 21 H22 G 21 -8.072 -12.271 2.613 957 H5' DC 22 H5' C 22 -6.184 -9.168 8.818 958 H5'' DC 22 H5'' C 22 -5.116 -9.234 10.231 959 H4' DC 22 H4' C 22 -4.334 -10.934 8.858 960 H3' DC 22 H3' C 22 -2.528 -9.081 9.451 961 H2' DC 22 H2' C 22 -2.880 -7.574 7.631 962 H2'' DC 22 H2'' C 22 -1.576 -8.557 6.983 963 H1' DC 22 H1' C 22 -3.029 -9.880 5.666 964 H41 DC 22 H41 C 22 -5.633 -4.388 3.002 965 H42 DC 22 H42 C 22 -5.595 -5.681 1.836 966 H5 DC 22 H5 C 22 -5.148 -4.930 5.456 967 H6 DC 22 H6 C 22 -4.286 -6.670 6.948 968 H5' DC 23 H5' C 23 -1.434 -12.180 5.958 969 H5'' DC 23 H5'' C 23 -0.551 -12.974 7.274 970 H4' DC 23 H4' C 23 0.313 -14.013 5.428 971 H3' DC 23 H3' C 23 2.169 -12.655 6.743 972 H2' DC 23 H2' C 23 2.001 -10.545 5.633 973 H2'' DC 23 H2'' C 23 3.277 -11.296 4.688 974 H1' DC 23 H1' C 23 1.834 -11.895 2.925 975 H41 DC 23 H41 C 23 -0.677 -5.811 2.676 976 H42 DC 23 H42 C 23 -0.531 -6.377 1.044 977 H5 DC 23 H5 C 23 -0.233 -7.228 4.614 978 H6 DC 23 H6 C 23 0.460 -9.435 5.343 979 H5' DC 24 H5' C 24 3.213 -14.365 2.573 980 H5'' DC 24 H5'' C 24 4.303 -15.616 3.196 981 H4' DC 24 H4' C 24 4.802 -15.516 0.935 982 H3' DC 24 H3' C 24 6.866 -15.029 2.528 983 H2' DC 24 H2' C 24 6.662 -12.661 2.744 984 H2'' DC 24 H2'' C 24 7.797 -12.764 1.406 985 H1' DC 24 H1' C 24 6.117 -12.363 -0.230 986 H41 DC 24 H41 C 24 3.996 -7.071 3.088 987 H42 DC 24 H42 C 24 3.780 -6.763 1.378 988 H5 DC 24 H5 C 24 4.692 -9.271 3.928 989 H6 DC 24 H6 C 24 5.366 -11.520 3.280 990 H5' DA 25 H5' A 25 7.304 -14.339 -1.972 991 H5'' DA 25 H5'' A 25 8.494 -15.606 -2.324 992 H4' DA 25 H4' A 25 8.582 -14.225 -4.181 993 H3' DA 25 H3' A 25 10.905 -14.499 -2.941 994 H2' DA 25 H2' A 25 10.744 -12.677 -1.385 995 H2'' DA 25 H2'' A 25 11.625 -11.922 -2.704 996 H1' DA 25 H1' A 25 9.693 -10.853 -3.574 997 H8 DA 25 H8 A 25 9.283 -11.942 0.132 998 H61 DA 25 H61 A 25 7.609 -7.654 1.743 999 H62 DA 25 H62 A 25 7.188 -6.157 0.941 1000 H2 DA 25 H2 A 25 7.851 -6.813 -3.448 1001 H5' DC 26 H5' C 26 10.345 -11.385 -6.243 1002 H5'' DC 26 H5'' C 26 11.455 -12.064 -7.449 1003 H4' DC 26 H4' C 26 11.091 -9.905 -8.200 1004 H3' DC 26 H3' C 26 13.635 -10.458 -7.695 1005 H2' DC 26 H2' C 26 13.738 -9.807 -5.399 1006 H2'' DC 26 H2'' C 26 14.284 -8.328 -6.177 1007 H1' DC 26 H1' C 26 12.161 -7.274 -5.978 1008 H41 DC 26 H41 C 26 11.647 -8.921 0.404 1009 H42 DC 26 H42 C 26 11.056 -7.288 0.232 1010 H5 DC 26 H5 C 26 12.375 -10.262 -1.487 1011 H6 DC 26 H6 C 26 12.628 -10.318 -3.914 1012 H5' DA 27 H5' A 27 12.599 -5.961 -8.777 1013 H5'' DA 27 H5'' A 27 13.590 -5.838 -10.245 1014 H4' DA 27 H4' A 27 13.262 -3.637 -9.559 1015 H3' DA 27 H3' A 27 15.804 -4.343 -9.796 1016 H2' DA 27 H2' A 27 16.210 -5.151 -7.577 1017 H2'' DA 27 H2'' A 27 16.738 -3.481 -7.413 1018 H1' DA 27 H1' A 27 14.741 -2.796 -6.354 1019 H8 DA 27 H8 A 27 15.287 -6.616 -6.336 1020 H61 DA 27 H61 A 27 14.320 -7.351 -1.632 1021 H62 DA 27 H62 A 27 13.760 -6.317 -0.342 1022 H2 DA 27 H2 A 27 13.248 -2.219 -2.131 1023 H5' DC 28 H5' C 28 14.789 -0.267 -7.929 1024 H5'' DC 28 H5'' C 28 15.613 0.895 -8.988 1025 H4' DC 28 H4' C 28 15.292 2.045 -6.988 1026 H3' DC 28 H3' C 28 17.810 1.914 -7.798 1027 H2' DC 28 H2' C 28 18.462 -0.132 -6.726 1028 H2'' DC 28 H2'' C 28 18.992 1.052 -5.543 1029 H1' DC 28 H1' C 28 17.092 0.722 -4.153 1030 H41 DC 28 H41 C 28 17.826 -5.833 -4.367 1031 H42 DC 28 H42 C 28 17.268 -5.428 -2.757 1032 H5 DC 28 H5 C 28 18.051 -4.193 -6.134 1033 H6 DC 28 H6 C 28 17.821 -1.835 -6.701 1034 H5' DA 29 H5' A 29 16.966 3.469 -3.527 1035 H5'' DA 29 H5'' A 29 17.585 5.126 -3.633 1036 H4' DA 29 H4' A 29 17.556 4.686 -1.357 1037 H3' DA 29 H3' A 29 19.944 5.338 -2.296 1038 H2' DA 29 H2' A 29 20.748 3.155 -2.879 1039 H2'' DA 29 H2'' A 29 21.426 3.344 -1.275 1040 H1' DA 29 H1' A 29 19.727 2.012 -0.257 1041 H8 DA 29 H8 A 29 19.912 1.503 -4.086 1042 H61 DA 29 H61 A 29 20.113 -3.366 -4.005 1043 H62 DA 29 H62 A 29 20.006 -4.549 -2.717 1044 H2 DA 29 H2 A 29 19.466 -2.245 1.099 1045 H5' DA 30 H5' A 30 19.574 3.764 1.963 1046 H5'' DA 30 H5'' A 30 20.118 5.146 2.929 1047 H4' DA 30 H4' A 30 20.280 3.360 4.385 1048 H3' DA 30 H3' A 30 22.582 4.616 4.026 1049 H2' DA 30 H2' A 30 23.420 3.373 2.144 1050 H2'' DA 30 H2'' A 30 24.181 2.516 3.476 1051 H1' DA 30 H1' A 30 22.596 0.752 3.437 1052 H8 DA 30 H8 A 30 22.388 2.803 0.141 1053 H61 DA 30 H61 A 30 22.864 -0.988 -2.865 1054 H62 DA 30 H62 A 30 23.014 -2.713 -2.617 1055 H2 DA 30 H2 A 30 22.895 -3.362 1.834 1056 H5' DG 31 H5' G 31 22.644 0.475 6.137 1057 H5'' DG 31 H5'' G 31 23.051 1.069 7.760 1058 H4' DG 31 H4' G 31 23.605 -1.177 7.857 1059 H3' DG 31 H3' G 31 25.634 0.460 8.327 1060 H2' DG 31 H2' G 31 26.460 0.727 6.097 1061 H2'' DG 31 H2'' G 31 27.473 -0.594 6.658 1062 H1' DG 31 H1' G 31 26.179 -2.253 5.555 1063 H8 DG 31 H8 G 31 25.660 1.328 4.238 1064 H1 DG 31 H1 G 31 26.209 -3.236 -0.239 1065 H21 DG 31 H21 G 31 26.248 -5.429 2.454 1066 H22 DG 31 H22 G 31 26.328 -5.240 0.720 1067 H5' DC 32 H5' C 32 26.814 -3.932 7.694 1068 H5'' DC 32 H5'' C 32 27.374 -4.402 9.311 1069 H4' DC 32 H4' C 32 28.396 -5.933 7.901 1070 H3' DC 32 H3' C 32 30.097 -4.514 9.350 1071 HO3' DC 32 H3T C 32 30.213 -6.676 7.921 1072 H2' DC 32 H2' C 32 30.438 -2.665 7.866 1073 H2'' DC 32 H2'' C 32 31.787 -3.696 7.407 1074 H1' DC 32 H1' C 32 30.682 -4.527 5.477 1075 H41 DC 32 H41 C 32 28.837 1.493 3.468 1076 H42 DC 32 H42 C 32 28.969 0.506 2.035 1077 H5 DC 32 H5 C 32 29.119 0.608 5.717 1078 H6 DC 32 H6 C 32 29.540 -1.415 7.025 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 -2.986 -5.492 -3.287 2 H2 MET 1 HT2 MET 1 -3.986 -5.802 -1.961 3 H3 MET 1 HT3 MET 1 -3.919 -4.249 -2.632 4 HA MET 1 HA MET 1 -4.772 -6.551 -4.250 5 HB2 MET 1 HB2 MET 1 -7.072 -6.139 -3.661 6 HB3 MET 1 HB1 MET 1 -6.170 -6.443 -2.184 7 HG2 MET 1 HG2 MET 1 -6.199 -4.156 -1.582 8 HG3 MET 1 HG1 MET 1 -6.774 -3.674 -3.177 9 HE1 MET 1 HE1 MET 1 -7.492 -5.908 -0.173 10 HE2 MET 1 HE2 MET 1 -8.412 -6.878 -1.322 11 HE3 MET 1 HE3 MET 1 -9.250 -5.969 -0.066 12 H VAL 2 HN VAL 2 -5.918 -5.844 -6.132 13 HA VAL 2 HA VAL 2 -5.418 -3.019 -6.788 14 HB VAL 2 HB VAL 2 -6.138 -4.503 -9.109 15 HG11 VAL 2 HG11 VAL 2 -3.447 -3.421 -8.319 16 HG12 VAL 2 HG12 VAL 2 -4.778 -2.434 -8.917 17 HG13 VAL 2 HG13 VAL 2 -4.065 -3.674 -9.950 18 HG21 VAL 2 HG21 VAL 2 -3.915 -5.766 -7.516 19 HG22 VAL 2 HG22 VAL 2 -4.258 -6.085 -9.218 20 HG23 VAL 2 HG23 VAL 2 -5.439 -6.520 -7.984 21 H GLN 3 HN GLN 3 -7.756 -4.599 -5.495 22 HA GLN 3 HA GLN 3 -9.966 -4.361 -7.236 23 HB2 GLN 3 HB2 GLN 3 -9.707 -4.637 -4.249 24 HB3 GLN 3 HB1 GLN 3 -11.275 -4.444 -5.020 25 HG2 GLN 3 HG2 GLN 3 -11.119 -6.487 -6.127 26 HG3 GLN 3 HG1 GLN 3 -9.376 -6.584 -5.898 27 HE21 GLN 3 HE21 GLN 3 -12.481 -6.829 -4.308 28 HE22 GLN 3 HE22 GLN 3 -11.934 -7.788 -2.976 29 H SER 4 HN SER 4 -8.828 -2.298 -4.564 30 HA SER 4 HA SER 4 -9.512 0.111 -5.855 31 HB2 SER 4 HB2 SER 4 -11.560 0.716 -4.848 32 HB3 SER 4 HB1 SER 4 -11.758 -0.978 -5.178 33 HG SER 4 HG SER 4 -10.604 -0.634 -2.770 34 H CYS 5 HN CYS 5 -8.838 1.929 -4.611 35 HA CYS 5 HA CYS 5 -6.831 1.362 -2.674 36 HB2 CYS 5 HB2 CYS 5 -7.666 4.155 -2.837 37 HB3 CYS 5 HB1 CYS 5 -6.113 3.427 -3.236 38 H SER 6 HN SER 6 -6.777 2.771 -0.608 39 HA SER 6 HA SER 6 -8.862 1.934 1.091 40 HB2 SER 6 HB2 SER 6 -6.716 3.988 1.637 41 HB3 SER 6 HB1 SER 6 -7.629 3.078 2.842 42 HG SER 6 HG SER 6 -6.451 1.355 2.459 43 H ALA 7 HN ALA 7 -9.051 4.397 -1.075 44 HA ALA 7 HA ALA 7 -10.392 6.346 0.588 45 HB1 ALA 7 HB1 ALA 7 -10.646 7.634 -1.373 46 HB2 ALA 7 HB2 ALA 7 -10.448 6.228 -2.420 47 HB3 ALA 7 HB3 ALA 7 -9.067 6.862 -1.522 48 H TYR 8 HN TYR 8 -12.690 7.050 -0.340 49 HA TYR 8 HA TYR 8 -14.240 4.570 -0.383 50 HB2 TYR 8 HB2 TYR 8 -16.129 5.890 0.458 51 HB3 TYR 8 HB1 TYR 8 -14.740 5.960 1.529 52 HD1 TYR 8 HD2 TYR 8 -13.469 8.052 1.771 53 HD2 TYR 8 HD1 TYR 8 -16.949 7.828 -0.661 54 HE1 TYR 8 HE2 TYR 8 -13.610 10.503 1.756 55 HE2 TYR 8 HE1 TYR 8 -17.107 10.272 -0.673 56 HH TYR 8 HH TYR 8 -16.090 12.192 1.201 57 H GLY 9 HN GLY 9 -14.567 4.041 -2.406 58 HA2 GLY 9 HA2 GLY 9 -16.086 4.179 -4.240 59 HA3 GLY 9 HA1 GLY 9 -16.032 5.919 -4.107 60 H CYS 10 HN CYS 10 -12.905 5.241 -3.857 61 HA CYS 10 HA CYS 10 -12.369 5.879 -6.578 62 HB2 CYS 10 HB2 CYS 10 -11.015 6.814 -4.756 63 HB3 CYS 10 HB1 CYS 10 -10.423 5.200 -4.371 64 H LYS 11 HN LYS 11 -13.386 3.893 -7.458 65 HA LYS 11 HA LYS 11 -11.847 1.447 -7.220 66 HB2 LYS 11 HB2 LYS 11 -14.339 2.262 -8.658 67 HB3 LYS 11 HB1 LYS 11 -13.465 0.845 -9.223 68 HG2 LYS 11 HG2 LYS 11 -13.604 -0.061 -6.889 69 HG3 LYS 11 HG1 LYS 11 -14.690 1.280 -6.510 70 HD2 LYS 11 HD2 LYS 11 -16.257 0.533 -8.196 71 HD3 LYS 11 HD1 LYS 11 -15.150 -0.742 -8.704 72 HE2 LYS 11 HE2 LYS 11 -15.310 -1.596 -6.307 73 HE3 LYS 11 HE1 LYS 11 -16.690 -0.510 -6.138 74 HZ1 LYS 11 HZ1 LYS 11 -17.367 -2.756 -6.746 75 HZ2 LYS 11 HZ2 LYS 11 -16.445 -2.672 -8.159 76 HZ3 LYS 11 HZ3 LYS 11 -17.778 -1.652 -7.963 77 H ASN 12 HN ASN 12 -10.274 3.534 -8.043 78 HA ASN 12 HA ASN 12 -9.985 3.461 -10.935 79 HB2 ASN 12 HB2 ASN 12 -8.431 4.897 -8.810 80 HB3 ASN 12 HB1 ASN 12 -8.141 5.079 -10.536 81 HD21 ASN 12 HD21 ASN 12 -8.820 7.260 -8.889 82 HD22 ASN 12 HD22 ASN 12 -10.404 7.815 -9.336 83 H ARG 13 HN ARG 13 -9.673 1.072 -9.995 84 HA ARG 13 HA ARG 13 -7.361 -0.040 -9.168 85 HB2 ARG 13 HB2 ARG 13 -8.674 -1.799 -9.631 86 HB3 ARG 13 HB1 ARG 13 -9.627 -0.855 -10.759 87 HG2 ARG 13 HG2 ARG 13 -8.837 -2.727 -11.947 88 HG3 ARG 13 HG1 ARG 13 -7.866 -1.364 -12.501 89 HD2 ARG 13 HD2 ARG 13 -5.958 -2.215 -11.639 90 HD3 ARG 13 HD1 ARG 13 -6.765 -2.820 -10.195 91 HE ARG 13 HE ARG 13 -7.329 -4.797 -11.363 92 HH11 ARG 13 HH11 ARG 13 -5.340 -2.639 -13.301 93 HH12 ARG 13 HH12 ARG 13 -4.792 -3.909 -14.351 94 HH21 ARG 13 HH21 ARG 13 -6.597 -6.445 -12.755 95 HH22 ARG 13 HH22 ARG 13 -5.505 -6.061 -14.050 96 H TYR 14 HN TYR 14 -5.333 -0.366 -9.894 97 HA TYR 14 HA TYR 14 -3.820 1.125 -11.415 98 HB2 TYR 14 HB2 TYR 14 -3.498 -1.391 -10.385 99 HB3 TYR 14 HB1 TYR 14 -3.282 -1.679 -12.107 100 HD1 TYR 14 HD2 TYR 14 -1.726 0.447 -13.173 101 HD2 TYR 14 HD1 TYR 14 -1.527 -1.244 -9.261 102 HE1 TYR 14 HE2 TYR 14 0.606 1.200 -12.956 103 HE2 TYR 14 HE1 TYR 14 0.803 -0.495 -9.053 104 HH TYR 14 HH TYR 14 2.632 0.185 -10.311 105 H ASP 15 HN ASP 15 -4.233 2.053 -13.290 106 HA ASP 15 HA ASP 15 -4.862 0.362 -15.604 107 HB2 ASP 15 HB2 ASP 15 -6.870 1.657 -14.983 108 HB3 ASP 15 HB1 ASP 15 -5.931 3.145 -15.044 109 H LYS 16 HN LYS 16 -3.145 0.351 -16.796 110 HA LYS 16 HA LYS 16 -0.928 1.975 -16.576 111 HB2 LYS 16 HB2 LYS 16 -0.080 0.472 -17.995 112 HB3 LYS 16 HB1 LYS 16 -1.680 -0.260 -18.046 113 HG2 LYS 16 HG2 LYS 16 -2.067 1.613 -19.875 114 HG3 LYS 16 HG1 LYS 16 -0.316 1.457 -20.036 115 HD2 LYS 16 HD2 LYS 16 -0.524 -0.900 -20.494 116 HD3 LYS 16 HD1 LYS 16 -2.260 -0.844 -20.168 117 HE2 LYS 16 HE2 LYS 16 -1.150 0.966 -22.251 118 HE3 LYS 16 HE1 LYS 16 -1.309 -0.747 -22.637 119 HZ1 LYS 16 HZ1 LYS 16 -3.499 1.055 -21.732 120 HZ2 LYS 16 HZ2 LYS 16 -3.658 -0.601 -22.041 121 HZ3 LYS 16 HZ3 LYS 16 -3.272 0.456 -23.298 122 H ASP 17 HN ASP 17 -3.811 2.530 -18.453 123 HA ASP 17 HA ASP 17 -2.714 4.524 -20.164 124 HB2 ASP 17 HB2 ASP 17 -5.483 3.642 -19.452 125 HB3 ASP 17 HB1 ASP 17 -5.250 5.135 -20.355 126 H LYS 18 HN LYS 18 -4.070 4.507 -16.986 127 HA LYS 18 HA LYS 18 -4.221 7.427 -16.914 128 HB2 LYS 18 HB2 LYS 18 -5.667 7.219 -15.163 129 HB3 LYS 18 HB1 LYS 18 -5.917 5.642 -15.889 130 HG2 LYS 18 HG2 LYS 18 -4.261 4.706 -14.293 131 HG3 LYS 18 HG1 LYS 18 -4.199 6.290 -13.517 132 HD2 LYS 18 HD2 LYS 18 -6.637 4.534 -13.802 133 HD3 LYS 18 HD1 LYS 18 -5.724 4.820 -12.321 134 HE2 LYS 18 HE2 LYS 18 -7.198 6.455 -11.932 135 HE3 LYS 18 HE1 LYS 18 -6.318 7.364 -13.158 136 HZ1 LYS 18 HZ1 LYS 18 -8.752 5.726 -13.562 137 HZ2 LYS 18 HZ2 LYS 18 -7.863 6.414 -14.822 138 HZ3 LYS 18 HZ3 LYS 18 -8.628 7.404 -13.688 139 HA PRO 19 HA PRO 19 -0.311 7.538 -14.870 140 HB2 PRO 19 HB2 PRO 19 -0.272 10.137 -14.130 141 HB3 PRO 19 HB1 PRO 19 -0.168 9.627 -15.823 142 HG2 PRO 19 HG2 PRO 19 -2.399 10.879 -14.386 143 HG3 PRO 19 HG1 PRO 19 -2.014 10.884 -16.116 144 HD2 PRO 19 HD2 PRO 19 -3.926 9.262 -14.766 145 HD3 PRO 19 HD1 PRO 19 -3.472 9.208 -16.480 146 H VAL 20 HN VAL 20 -1.225 6.077 -13.118 147 HA VAL 20 HA VAL 20 -0.789 7.438 -10.587 148 HB VAL 20 HB VAL 20 -2.630 6.587 -9.399 149 HG11 VAL 20 HG11 VAL 20 -3.276 8.536 -10.592 150 HG12 VAL 20 HG12 VAL 20 -4.637 7.413 -10.586 151 HG13 VAL 20 HG13 VAL 20 -3.651 7.595 -12.038 152 HG21 VAL 20 HG21 VAL 20 -4.414 5.168 -10.645 153 HG22 VAL 20 HG22 VAL 20 -2.959 4.396 -10.009 154 HG23 VAL 20 HG23 VAL 20 -3.074 4.773 -11.729 155 H SER 21 HN SER 21 0.340 6.257 -9.172 156 HA SER 21 HA SER 21 1.025 3.505 -9.933 157 HB2 SER 21 HB2 SER 21 3.026 3.958 -8.396 158 HB3 SER 21 HB1 SER 21 2.993 4.864 -9.909 159 HG SER 21 HG SER 21 3.395 6.383 -8.402 160 H PHE 22 HN PHE 22 1.464 2.055 -7.976 161 HA PHE 22 HA PHE 22 -0.497 2.713 -5.893 162 HB2 PHE 22 HB2 PHE 22 0.124 0.206 -7.321 163 HB3 PHE 22 HB1 PHE 22 -0.110 0.036 -5.587 164 HD1 PHE 22 HD2 PHE 22 -1.768 1.842 -8.433 165 HD2 PHE 22 HD1 PHE 22 -2.228 -0.522 -4.919 166 HE1 PHE 22 HE2 PHE 22 -4.223 1.826 -8.763 167 HE2 PHE 22 HE1 PHE 22 -4.665 -0.535 -5.247 168 HZ PHE 22 HZ PHE 22 -5.660 0.639 -7.164 169 H HIS 23 HN HIS 23 -0.017 1.969 -3.750 170 HA HIS 23 HA HIS 23 2.767 1.426 -3.014 171 HB2 HIS 23 HB2 HIS 23 1.713 3.609 -1.396 172 HB3 HIS 23 HB1 HIS 23 3.288 3.444 -2.133 173 HD1 HIS 23 HD1 HIS 23 -0.191 4.462 -3.043 174 HD2 HIS 23 HD2 HIS 23 3.718 5.157 -4.228 175 HE1 HIS 23 HE1 HIS 23 -0.353 6.248 -4.756 176 HE2 HIS 23 HE2 HIS 23 2.008 6.461 -5.669 177 H LYS 24 HN LYS 24 2.853 1.364 -0.491 178 HA LYS 24 HA LYS 24 0.287 0.222 0.413 179 HB2 LYS 24 HB2 LYS 24 3.121 -0.321 1.364 180 HB3 LYS 24 HB1 LYS 24 1.688 -0.939 2.168 181 HG2 LYS 24 HG2 LYS 24 1.430 -1.634 -0.538 182 HG3 LYS 24 HG1 LYS 24 3.095 -1.987 -0.090 183 HD2 LYS 24 HD2 LYS 24 0.590 -3.010 1.234 184 HD3 LYS 24 HD1 LYS 24 1.776 -3.943 0.324 185 HE2 LYS 24 HE2 LYS 24 2.158 -2.615 3.007 186 HE3 LYS 24 HE1 LYS 24 2.131 -4.341 2.663 187 HZ1 LYS 24 HZ1 LYS 24 4.367 -3.841 2.850 188 HZ2 LYS 24 HZ2 LYS 24 4.233 -2.371 2.036 189 HZ3 LYS 24 HZ3 LYS 24 4.132 -3.827 1.174 190 H PHE 25 HN PHE 25 -0.058 0.608 2.905 191 HA PHE 25 HA PHE 25 -0.110 3.351 3.481 192 HB2 PHE 25 HB2 PHE 25 -0.649 0.872 4.968 193 HB3 PHE 25 HB1 PHE 25 -0.082 2.187 5.978 194 HD1 PHE 25 HD2 PHE 25 -2.582 1.608 3.277 195 HD2 PHE 25 HD1 PHE 25 -1.641 3.575 6.914 196 HE1 PHE 25 HE2 PHE 25 -4.863 2.540 3.354 197 HE2 PHE 25 HE1 PHE 25 -3.916 4.494 7.019 198 HZ PHE 25 HZ PHE 25 -5.534 3.979 5.238 199 HA PRO 26 HA PRO 26 3.921 4.336 5.174 200 HB2 PRO 26 HB2 PRO 26 3.251 6.096 7.113 201 HB3 PRO 26 HB1 PRO 26 3.079 6.507 5.394 202 HG2 PRO 26 HG2 PRO 26 0.999 5.491 7.290 203 HG3 PRO 26 HG1 PRO 26 0.921 6.893 6.204 204 HD2 PRO 26 HD2 PRO 26 -0.187 4.591 5.491 205 HD3 PRO 26 HD1 PRO 26 0.698 5.570 4.303 206 H LEU 27 HN LEU 27 3.859 2.006 5.994 207 HA LEU 27 HA LEU 27 2.946 1.448 8.614 208 HB2 LEU 27 HB2 LEU 27 4.671 0.028 6.629 209 HB3 LEU 27 HB1 LEU 27 4.491 -0.598 8.259 210 HG LEU 27 HG LEU 27 2.262 -0.138 6.259 211 HD11 LEU 27 HD11 LEU 27 3.467 -2.112 5.684 212 HD12 LEU 27 HD12 LEU 27 2.001 -2.622 6.522 213 HD13 LEU 27 HD13 LEU 27 3.548 -2.631 7.368 214 HD21 LEU 27 HD21 LEU 27 0.935 -1.365 8.069 215 HD22 LEU 27 HD22 LEU 27 1.301 0.341 8.324 216 HD23 LEU 27 HD23 LEU 27 2.241 -0.895 9.161 217 H THR 28 HN THR 28 5.791 2.818 7.346 218 HA THR 28 HA THR 28 7.245 2.353 9.817 219 HB THR 28 HB THR 28 9.175 3.245 8.642 220 HG1 THR 28 HG1 THR 28 8.092 3.517 6.168 221 HG21 THR 28 HG21 THR 28 9.188 1.652 6.702 222 HG22 THR 28 HG22 THR 28 7.481 1.332 7.035 223 HG23 THR 28 HG23 THR 28 8.713 0.925 8.238 224 H ARG 29 HN ARG 29 4.892 4.295 9.115 225 HA ARG 29 HA ARG 29 5.859 6.438 10.848 226 HB2 ARG 29 HB2 ARG 29 6.036 6.968 8.273 227 HB3 ARG 29 HB1 ARG 29 4.296 7.156 8.386 228 HG2 ARG 29 HG2 ARG 29 4.471 9.003 9.797 229 HG3 ARG 29 HG1 ARG 29 6.144 8.658 10.196 230 HD2 ARG 29 HD2 ARG 29 5.951 8.949 7.379 231 HD3 ARG 29 HD1 ARG 29 5.128 10.306 8.127 232 HE ARG 29 HE ARG 29 7.149 11.150 8.720 233 HH11 ARG 29 HH11 ARG 29 7.589 7.725 8.161 234 HH12 ARG 29 HH12 ARG 29 9.300 7.775 8.404 235 HH21 ARG 29 HH21 ARG 29 9.404 11.214 9.020 236 HH22 ARG 29 HH22 ARG 29 10.329 9.753 8.895 237 HA PRO 30 HA PRO 30 1.724 4.208 11.625 238 HB2 PRO 30 HB2 PRO 30 2.136 4.666 14.365 239 HB3 PRO 30 HB1 PRO 30 2.315 3.134 13.493 240 HG2 PRO 30 HG2 PRO 30 4.380 5.088 14.322 241 HG3 PRO 30 HG1 PRO 30 4.494 3.329 14.123 242 HD2 PRO 30 HD2 PRO 30 5.579 4.987 12.341 243 HD3 PRO 30 HD1 PRO 30 4.811 3.467 11.844 244 H SER 31 HN SER 31 2.871 6.980 13.646 245 HA SER 31 HA SER 31 0.376 7.969 14.325 246 HB2 SER 31 HB2 SER 31 1.731 10.276 14.112 247 HB3 SER 31 HB1 SER 31 2.026 9.134 15.421 248 HG SER 31 HG SER 31 3.786 10.020 13.737 249 H LEU 32 HN LEU 32 2.347 8.714 11.526 250 HA LEU 32 HA LEU 32 0.536 10.437 10.244 251 HB2 LEU 32 HB2 LEU 32 2.994 10.198 9.813 252 HB3 LEU 32 HB1 LEU 32 2.678 8.651 9.059 253 HG LEU 32 HG LEU 32 2.992 10.924 7.689 254 HD11 LEU 32 HD11 LEU 32 1.065 8.758 6.913 255 HD12 LEU 32 HD12 LEU 32 2.822 8.650 6.792 256 HD13 LEU 32 HD13 LEU 32 1.942 9.836 5.827 257 HD21 LEU 32 HD21 LEU 32 0.055 10.716 8.255 258 HD22 LEU 32 HD22 LEU 32 0.754 11.644 6.923 259 HD23 LEU 32 HD23 LEU 32 1.132 12.072 8.590 260 H CYS 33 HN CYS 33 1.018 6.966 10.279 261 HA CYS 33 HA CYS 33 -0.580 6.228 8.059 262 HB2 CYS 33 HB2 CYS 33 1.040 4.818 9.444 263 HB3 CYS 33 HB1 CYS 33 -0.225 4.742 10.676 264 HG CYS 33 HG CYS 33 0.250 2.820 8.079 265 H LYS 34 HN LYS 34 -1.158 6.981 11.366 266 HA LYS 34 HA LYS 34 -3.796 6.024 11.558 267 HB2 LYS 34 HB2 LYS 34 -2.785 6.141 13.568 268 HB3 LYS 34 HB1 LYS 34 -1.889 7.590 13.157 269 HG2 LYS 34 HG2 LYS 34 -4.513 8.463 13.249 270 HG3 LYS 34 HG1 LYS 34 -4.377 7.327 14.600 271 HD2 LYS 34 HD2 LYS 34 -2.069 8.620 14.935 272 HD3 LYS 34 HD1 LYS 34 -2.974 9.905 14.129 273 HE2 LYS 34 HE2 LYS 34 -4.765 9.655 15.820 274 HE3 LYS 34 HE1 LYS 34 -3.778 8.452 16.647 275 HZ1 LYS 34 HZ1 LYS 34 -2.098 10.118 17.025 276 HZ2 LYS 34 HZ2 LYS 34 -3.575 10.660 17.635 277 HZ3 LYS 34 HZ3 LYS 34 -2.988 11.275 16.173 278 H GLU 35 HN GLU 35 -2.485 9.172 10.481 279 HA GLU 35 HA GLU 35 -5.088 10.373 10.854 280 HB2 GLU 35 HB2 GLU 35 -4.090 12.106 9.153 281 HB3 GLU 35 HB1 GLU 35 -3.681 12.131 10.851 282 HG2 GLU 35 HG2 GLU 35 -1.714 10.607 10.115 283 HG3 GLU 35 HG1 GLU 35 -2.040 11.310 8.533 284 H TRP 36 HN TRP 36 -3.586 8.397 8.485 285 HA TRP 36 HA TRP 36 -5.115 9.235 6.254 286 HB2 TRP 36 HB2 TRP 36 -3.905 6.541 6.939 287 HB3 TRP 36 HB1 TRP 36 -4.689 6.896 5.399 288 HD1 TRP 36 HD1 TRP 36 -2.401 9.433 7.133 289 HE1 TRP 36 HE1 TRP 36 -0.327 9.832 5.666 290 HE3 TRP 36 HE3 TRP 36 -3.207 5.821 3.585 291 HZ2 TRP 36 HZ2 TRP 36 0.829 8.743 3.338 292 HZ3 TRP 36 HZ3 TRP 36 -1.570 5.586 1.765 293 HH2 TRP 36 HH2 TRP 36 0.415 7.011 1.653 294 H GLU 37 HN GLU 37 -5.734 7.287 9.073 295 HA GLU 37 HA GLU 37 -8.152 6.080 8.211 296 HB2 GLU 37 HB2 GLU 37 -7.519 6.879 11.062 297 HB3 GLU 37 HB1 GLU 37 -8.523 5.540 10.515 298 HG2 GLU 37 HG2 GLU 37 -5.592 5.628 9.911 299 HG3 GLU 37 HG1 GLU 37 -6.195 5.065 11.462 300 H ALA 38 HN ALA 38 -7.295 9.184 9.552 301 HA ALA 38 HA ALA 38 -9.837 10.104 10.299 302 HB1 ALA 38 HB1 ALA 38 -7.872 11.176 11.161 303 HB2 ALA 38 HB2 ALA 38 -8.800 12.355 10.233 304 HB3 ALA 38 HB3 ALA 38 -7.354 11.622 9.536 305 H ALA 39 HN ALA 39 -8.236 9.819 7.246 306 HA ALA 39 HA ALA 39 -10.090 11.641 5.940 307 HB1 ALA 39 HB1 ALA 39 -7.770 11.624 5.196 308 HB2 ALA 39 HB2 ALA 39 -8.848 11.117 3.897 309 HB3 ALA 39 HB3 ALA 39 -7.904 9.916 4.779 310 H VAL 40 HN VAL 40 -9.676 8.270 6.600 311 HA VAL 40 HA VAL 40 -11.656 7.444 4.606 312 HB VAL 40 HB VAL 40 -10.590 5.614 6.705 313 HG11 VAL 40 HG11 VAL 40 -10.796 3.960 4.930 314 HG12 VAL 40 HG12 VAL 40 -11.233 5.230 3.787 315 HG13 VAL 40 HG13 VAL 40 -12.307 4.844 5.133 316 HG21 VAL 40 HG21 VAL 40 -8.634 6.878 5.792 317 HG22 VAL 40 HG22 VAL 40 -9.051 6.256 4.194 318 HG23 VAL 40 HG23 VAL 40 -8.583 5.143 5.478 319 H ARG 41 HN ARG 41 -12.751 9.196 6.256 320 HA ARG 41 HA ARG 41 -13.936 8.133 8.615 321 HB2 ARG 41 HB2 ARG 41 -15.110 10.188 8.784 322 HB3 ARG 41 HB1 ARG 41 -13.512 10.562 8.157 323 HG2 ARG 41 HG2 ARG 41 -15.688 10.127 6.186 324 HG3 ARG 41 HG1 ARG 41 -15.722 11.615 7.136 325 HD2 ARG 41 HD2 ARG 41 -13.430 10.637 5.433 326 HD3 ARG 41 HD1 ARG 41 -14.549 11.934 5.018 327 HE ARG 41 HE ARG 41 -12.382 12.039 6.974 328 HH11 ARG 41 HH11 ARG 41 -15.171 13.614 5.543 329 HH12 ARG 41 HH12 ARG 41 -14.676 15.205 6.014 330 HH21 ARG 41 HH21 ARG 41 -11.733 14.142 7.607 331 HH22 ARG 41 HH22 ARG 41 -12.726 15.503 7.201 332 H ARG 42 HN ARG 42 -14.486 6.934 5.775 333 HA ARG 42 HA ARG 42 -17.363 7.124 5.593 334 HB2 ARG 42 HB2 ARG 42 -15.637 6.774 3.665 335 HB3 ARG 42 HB1 ARG 42 -15.711 5.085 4.143 336 HG2 ARG 42 HG2 ARG 42 -17.265 5.258 2.425 337 HG3 ARG 42 HG1 ARG 42 -18.244 5.312 3.890 338 HD2 ARG 42 HD2 ARG 42 -18.062 7.858 3.691 339 HD3 ARG 42 HD1 ARG 42 -17.491 7.564 2.051 340 HE ARG 42 HE ARG 42 -20.185 7.246 3.053 341 HH11 ARG 42 HH11 ARG 42 -17.931 6.461 0.489 342 HH12 ARG 42 HH12 ARG 42 -19.174 6.107 -0.664 343 HH21 ARG 42 HH21 ARG 42 -21.817 6.777 1.531 344 HH22 ARG 42 HH22 ARG 42 -21.382 6.301 -0.082 345 H LYS 43 HN LYS 43 -18.828 5.467 6.029 346 HA LYS 43 HA LYS 43 -18.394 3.853 8.250 347 HB2 LYS 43 HB2 LYS 43 -20.643 4.077 7.863 348 HB3 LYS 43 HB1 LYS 43 -20.462 3.980 6.118 349 HG2 LYS 43 HG2 LYS 43 -20.160 1.572 6.263 350 HG3 LYS 43 HG1 LYS 43 -20.293 1.642 8.017 351 HD2 LYS 43 HD2 LYS 43 -22.591 2.498 7.781 352 HD3 LYS 43 HD1 LYS 43 -22.436 2.386 6.026 353 HE2 LYS 43 HE2 LYS 43 -22.061 -0.036 6.230 354 HE3 LYS 43 HE1 LYS 43 -22.269 0.088 7.977 355 HZ1 LYS 43 HZ1 LYS 43 -24.325 0.770 5.951 356 HZ2 LYS 43 HZ2 LYS 43 -24.521 0.855 7.627 357 HZ3 LYS 43 HZ3 LYS 43 -24.293 -0.642 6.877 358 H ASN 44 HN ASN 44 -18.363 2.970 4.824 359 HA ASN 44 HA ASN 44 -17.477 0.306 5.457 360 HB2 ASN 44 HB2 ASN 44 -17.210 0.406 2.778 361 HB3 ASN 44 HB1 ASN 44 -18.728 0.057 3.587 362 HD21 ASN 44 HD21 ASN 44 -20.422 1.286 3.136 363 HD22 ASN 44 HD22 ASN 44 -20.366 2.781 2.264 364 H PHE 45 HN PHE 45 -15.612 1.477 6.602 365 HA PHE 45 HA PHE 45 -13.445 2.569 5.239 366 HB2 PHE 45 HB2 PHE 45 -13.711 2.468 7.745 367 HB3 PHE 45 HB1 PHE 45 -13.299 0.761 7.681 368 HD1 PHE 45 HD1 PHE 45 -11.005 0.304 6.380 369 HD2 PHE 45 HD2 PHE 45 -12.010 3.936 8.346 370 HE1 PHE 45 HE1 PHE 45 -8.627 0.836 6.578 371 HE2 PHE 45 HE2 PHE 45 -9.632 4.490 8.540 372 HZ PHE 45 HZ PHE 45 -7.928 2.944 7.657 373 H LYS 46 HN LYS 46 -12.302 1.757 3.665 374 HA LYS 46 HA LYS 46 -12.471 -0.889 2.722 375 HB2 LYS 46 HB2 LYS 46 -11.432 1.620 1.883 376 HB3 LYS 46 HB1 LYS 46 -10.165 0.422 1.673 377 HG2 LYS 46 HG2 LYS 46 -11.159 -0.363 -0.145 378 HG3 LYS 46 HG1 LYS 46 -12.632 -0.669 0.768 379 HD2 LYS 46 HD2 LYS 46 -12.882 1.973 0.462 380 HD3 LYS 46 HD1 LYS 46 -11.939 1.605 -0.984 381 HE2 LYS 46 HE2 LYS 46 -14.639 0.562 -0.189 382 HE3 LYS 46 HE1 LYS 46 -14.185 1.438 -1.648 383 HZ1 LYS 46 HZ1 LYS 46 -14.509 -0.913 -2.087 384 HZ2 LYS 46 HZ2 LYS 46 -13.318 -1.312 -0.961 385 HZ3 LYS 46 HZ3 LYS 46 -12.898 -0.470 -2.367 386 HA PRO 47 HA PRO 47 -9.181 -3.333 4.365 387 HB2 PRO 47 HB2 PRO 47 -7.288 -2.675 2.168 388 HB3 PRO 47 HB1 PRO 47 -7.753 -4.254 2.829 389 HG2 PRO 47 HG2 PRO 47 -8.736 -3.455 0.517 390 HG3 PRO 47 HG1 PRO 47 -9.758 -4.309 1.691 391 HD2 PRO 47 HD2 PRO 47 -9.698 -1.413 1.006 392 HD3 PRO 47 HD1 PRO 47 -11.075 -2.431 1.438 393 H THR 48 HN THR 48 -7.170 -3.358 5.382 394 HA THR 48 HA THR 48 -6.632 -0.858 6.634 395 HB THR 48 HB THR 48 -5.346 -2.129 8.181 396 HG1 THR 48 HG1 THR 48 -4.877 -4.383 7.689 397 HG21 THR 48 HG21 THR 48 -6.983 -3.550 8.963 398 HG22 THR 48 HG22 THR 48 -7.384 -4.112 7.336 399 HG23 THR 48 HG23 THR 48 -7.909 -2.512 7.871 400 H LYS 49 HN LYS 49 -4.140 -0.923 7.380 401 HA LYS 49 HA LYS 49 -2.756 0.340 5.330 402 HB2 LYS 49 HB2 LYS 49 -0.775 -0.086 7.027 403 HB3 LYS 49 HB1 LYS 49 -2.043 1.082 7.348 404 HG2 LYS 49 HG2 LYS 49 -2.835 -1.480 8.354 405 HG3 LYS 49 HG1 LYS 49 -1.231 -1.059 8.958 406 HD2 LYS 49 HD2 LYS 49 -2.502 -0.002 10.538 407 HD3 LYS 49 HD1 LYS 49 -2.407 1.292 9.345 408 HE2 LYS 49 HE2 LYS 49 -4.567 0.510 8.406 409 HE3 LYS 49 HE1 LYS 49 -4.672 -0.665 9.716 410 HZ1 LYS 49 HZ1 LYS 49 -4.274 1.583 11.086 411 HZ2 LYS 49 HZ2 LYS 49 -5.809 0.991 10.696 412 HZ3 LYS 49 HZ3 LYS 49 -5.111 2.210 9.748 413 H TYR 50 HN TYR 50 -3.192 -3.002 5.673 414 HA TYR 50 HA TYR 50 -0.540 -3.655 4.702 415 HB2 TYR 50 HB2 TYR 50 -3.049 -5.271 5.054 416 HB3 TYR 50 HB1 TYR 50 -1.583 -5.929 4.342 417 HD1 TYR 50 HD1 TYR 50 0.556 -5.732 5.791 418 HD2 TYR 50 HD2 TYR 50 -3.389 -5.438 7.334 419 HE1 TYR 50 HE1 TYR 50 1.382 -6.455 7.983 420 HE2 TYR 50 HE2 TYR 50 -2.572 -6.154 9.556 421 HH TYR 50 HH TYR 50 -0.031 -7.773 10.077 422 H SER 51 HN SER 51 -3.681 -2.855 3.482 423 HA SER 51 HA SER 51 -3.254 -3.916 0.865 424 HB2 SER 51 HB2 SER 51 -5.353 -2.420 2.253 425 HB3 SER 51 HB1 SER 51 -5.191 -2.015 0.540 426 HG SER 51 HG SER 51 -6.558 -3.928 1.251 427 H SER 52 HN SER 52 -3.478 -2.272 -1.037 428 HA SER 52 HA SER 52 -1.376 -0.302 -0.585 429 HB2 SER 52 HB2 SER 52 -1.308 -0.758 -3.253 430 HB3 SER 52 HB1 SER 52 -0.328 -1.603 -2.065 431 HG SER 52 HG SER 52 -1.268 -3.295 -3.074 432 H ILE 53 HN ILE 53 -1.472 1.695 -1.499 433 HA ILE 53 HA ILE 53 -4.163 2.632 -2.287 434 HB ILE 53 HB ILE 53 -1.957 4.090 -0.776 435 HG12 ILE 53 HG12 ILE 53 -3.813 4.220 0.991 436 HG13 ILE 53 HG11 ILE 53 -4.617 2.956 0.075 437 HG21 ILE 53 HG21 ILE 53 -4.653 5.077 -1.675 438 HG22 ILE 53 HG22 ILE 53 -3.066 5.697 -2.152 439 HG23 ILE 53 HG23 ILE 53 -3.636 5.896 -0.489 440 HD11 ILE 53 HD11 ILE 53 -2.336 1.715 0.352 441 HD12 ILE 53 HD12 ILE 53 -3.513 1.741 1.668 442 HD13 ILE 53 HD13 ILE 53 -2.130 2.835 1.704 443 H CYS 54 HN CYS 54 -4.003 4.713 -3.727 444 HA CYS 54 HA CYS 54 -1.747 4.355 -5.554 445 HB2 CYS 54 HB2 CYS 54 -3.215 4.854 -7.415 446 HB3 CYS 54 HB1 CYS 54 -3.810 3.489 -6.498 447 H SER 55 HN SER 55 -1.136 6.104 -6.849 448 HA SER 55 HA SER 55 -0.096 8.246 -5.651 449 HB2 SER 55 HB2 SER 55 0.587 7.708 -7.841 450 HB3 SER 55 HB1 SER 55 -1.033 7.934 -8.489 451 HG SER 55 HG SER 55 -0.086 10.198 -7.303 452 H GLU 56 HN GLU 56 -2.947 8.748 -7.671 453 HA GLU 56 HA GLU 56 -3.511 11.319 -7.428 454 HB2 GLU 56 HB2 GLU 56 -6.023 10.390 -7.228 455 HB3 GLU 56 HB1 GLU 56 -5.070 10.301 -8.705 456 HG2 GLU 56 HG2 GLU 56 -4.712 8.061 -8.511 457 HG3 GLU 56 HG1 GLU 56 -4.801 8.088 -6.758 458 H HIS 57 HN HIS 57 -3.768 9.193 -4.693 459 HA HIS 57 HA HIS 57 -5.609 10.900 -3.294 460 HB2 HIS 57 HB2 HIS 57 -4.033 8.502 -2.371 461 HB3 HIS 57 HB1 HIS 57 -5.237 9.348 -1.396 462 HD1 HIS 57 HD1 HIS 57 -7.629 9.638 -3.019 463 HD2 HIS 57 HD2 HIS 57 -5.128 6.360 -3.531 464 HE1 HIS 57 HE1 HIS 57 -9.008 7.872 -4.188 465 H PHE 58 HN PHE 58 -2.170 10.858 -3.633 466 HA PHE 58 HA PHE 58 -2.067 12.917 -1.529 467 HB2 PHE 58 HB2 PHE 58 0.546 11.795 -1.731 468 HB3 PHE 58 HB1 PHE 58 -0.520 11.833 -0.327 469 HD1 PHE 58 HD2 PHE 58 -2.048 9.884 0.082 470 HD2 PHE 58 HD1 PHE 58 1.021 9.835 -2.864 471 HE1 PHE 58 HE2 PHE 58 -2.130 7.428 0.045 472 HE2 PHE 58 HE1 PHE 58 0.954 7.384 -2.893 473 HZ PHE 58 HZ PHE 58 -0.620 6.173 -1.442 474 H THR 59 HN THR 59 -0.619 14.570 -1.893 475 HA THR 59 HA THR 59 -0.245 15.327 -4.602 476 HB THR 59 HB THR 59 1.291 17.084 -3.398 477 HG1 THR 59 HG1 THR 59 0.362 17.258 -1.148 478 HG21 THR 59 HG21 THR 59 -0.747 18.337 -2.698 479 HG22 THR 59 HG22 THR 59 -1.687 16.875 -3.012 480 HG23 THR 59 HG23 THR 59 -0.827 17.674 -4.330 481 HA PRO 60 HA PRO 60 3.592 13.488 -5.800 482 HB2 PRO 60 HB2 PRO 60 4.800 15.931 -6.610 483 HB3 PRO 60 HB1 PRO 60 3.893 14.813 -7.643 484 HG2 PRO 60 HG2 PRO 60 2.957 17.281 -6.277 485 HG3 PRO 60 HG1 PRO 60 2.500 16.624 -7.860 486 HD2 PRO 60 HD2 PRO 60 0.853 16.425 -5.806 487 HD3 PRO 60 HD1 PRO 60 1.082 15.043 -6.906 488 H ASP 61 HN ASP 61 3.547 16.479 -3.989 489 HA ASP 61 HA ASP 61 6.162 16.443 -2.946 490 HB2 ASP 61 HB2 ASP 61 3.805 17.460 -1.372 491 HB3 ASP 61 HB1 ASP 61 5.440 18.118 -1.455 492 H SER 62 HN SER 62 3.148 15.080 -1.834 493 HA SER 62 HA SER 62 4.263 13.942 0.571 494 HB2 SER 62 HB2 SER 62 1.568 14.147 -0.698 495 HB3 SER 62 HB1 SER 62 1.817 12.990 0.601 496 HG SER 62 HG SER 62 2.110 15.806 0.628 497 H PHE 63 HN PHE 63 4.376 13.009 -2.538 498 HA PHE 63 HA PHE 63 3.384 10.594 -3.012 499 HB2 PHE 63 HB2 PHE 63 5.673 11.979 -4.006 500 HB3 PHE 63 HB1 PHE 63 6.008 10.263 -3.912 501 HD1 PHE 63 HD2 PHE 63 3.264 9.188 -4.407 502 HD2 PHE 63 HD1 PHE 63 5.468 12.288 -6.317 503 HE1 PHE 63 HE2 PHE 63 2.010 8.794 -6.486 504 HE2 PHE 63 HE1 PHE 63 4.215 11.901 -8.398 505 HZ PHE 63 HZ PHE 63 2.487 10.149 -8.486 506 H LYS 64 HN LYS 64 6.807 10.458 -1.809 507 HA LYS 64 HA LYS 64 6.236 8.472 0.144 508 HB2 LYS 64 HB2 LYS 64 7.290 6.545 -1.128 509 HB3 LYS 64 HB1 LYS 64 5.684 7.030 -1.628 510 HG2 LYS 64 HG2 LYS 64 6.642 8.308 -3.484 511 HG3 LYS 64 HG1 LYS 64 8.250 7.768 -3.007 512 HD2 LYS 64 HD2 LYS 64 7.807 5.556 -3.614 513 HD3 LYS 64 HD1 LYS 64 6.061 5.816 -3.621 514 HE2 LYS 64 HE2 LYS 64 6.121 7.002 -5.631 515 HE3 LYS 64 HE1 LYS 64 7.852 7.303 -5.502 516 HZ1 LYS 64 HZ1 LYS 64 8.281 4.986 -5.933 517 HZ2 LYS 64 HZ2 LYS 64 7.313 5.615 -7.170 518 HZ3 LYS 64 HZ3 LYS 64 6.626 4.641 -5.974 519 H ARG 65 HN ARG 65 8.781 7.052 -1.076 520 HA ARG 65 HA ARG 65 10.631 8.103 0.738 521 HB2 ARG 65 HB2 ARG 65 12.298 6.719 -0.727 522 HB3 ARG 65 HB1 ARG 65 11.080 5.904 0.240 523 HG2 ARG 65 HG2 ARG 65 9.687 6.055 -1.993 524 HG3 ARG 65 HG1 ARG 65 11.292 6.178 -2.711 525 HD2 ARG 65 HD2 ARG 65 10.688 4.041 -0.709 526 HD3 ARG 65 HD1 ARG 65 10.206 3.838 -2.390 527 HE ARG 65 HE ARG 65 12.851 4.550 -2.498 528 HH11 ARG 65 HH11 ARG 65 11.080 2.000 -0.888 529 HH12 ARG 65 HH12 ARG 65 12.346 0.827 -1.058 530 HH21 ARG 65 HH21 ARG 65 14.533 3.023 -2.723 531 HH22 ARG 65 HH22 ARG 65 14.324 1.412 -2.110 532 H GLU 66 HN GLU 66 9.703 9.333 -2.255 533 HA GLU 66 HA GLU 66 12.213 10.533 -2.938 534 HB2 GLU 66 HB2 GLU 66 9.396 10.885 -3.993 535 HB3 GLU 66 HB1 GLU 66 10.665 12.024 -4.418 536 HG2 GLU 66 HG2 GLU 66 10.833 10.597 -6.153 537 HG3 GLU 66 HG1 GLU 66 11.960 9.825 -5.040 538 H SER 67 HN SER 67 10.385 10.903 -0.365 539 HA SER 67 HA SER 67 10.014 13.713 -0.164 540 HB2 SER 67 HB2 SER 67 8.644 12.286 1.153 541 HB3 SER 67 HB1 SER 67 10.016 11.446 1.852 542 HG SER 67 HG SER 67 9.742 14.228 2.249 543 H ASN 68 HN ASN 68 11.507 12.841 2.683 544 HA ASN 68 HA ASN 68 13.807 14.512 2.038 545 HB2 ASN 68 HB2 ASN 68 12.133 14.341 4.253 546 HB3 ASN 68 HB1 ASN 68 13.641 13.618 4.797 547 HD21 ASN 68 HD21 ASN 68 15.310 15.245 3.043 548 HD22 ASN 68 HD22 ASN 68 15.307 16.834 3.722 549 H ASN 69 HN ASN 69 13.454 11.711 4.208 550 HA ASN 69 HA ASN 69 16.114 10.891 3.313 551 HB2 ASN 69 HB2 ASN 69 16.527 9.961 5.403 552 HB3 ASN 69 HB1 ASN 69 15.569 11.380 5.785 553 HD21 ASN 69 HD21 ASN 69 15.866 8.023 6.077 554 HD22 ASN 69 HD22 ASN 69 14.340 7.709 6.844 555 H LYS 70 HN LYS 70 13.116 9.158 4.352 556 HA LYS 70 HA LYS 70 13.516 7.378 2.079 557 HB2 LYS 70 HB2 LYS 70 13.737 6.578 4.945 558 HB3 LYS 70 HB1 LYS 70 13.075 5.433 3.790 559 HG2 LYS 70 HG2 LYS 70 15.747 6.782 3.457 560 HG3 LYS 70 HG1 LYS 70 15.535 5.218 4.241 561 HD2 LYS 70 HD2 LYS 70 14.679 4.250 2.215 562 HD3 LYS 70 HD1 LYS 70 14.644 5.824 1.422 563 HE2 LYS 70 HE2 LYS 70 17.189 4.612 2.465 564 HE3 LYS 70 HE1 LYS 70 16.583 4.266 0.848 565 HZ1 LYS 70 HZ1 LYS 70 16.599 6.692 0.436 566 HZ2 LYS 70 HZ2 LYS 70 18.138 6.049 0.707 567 HZ3 LYS 70 HZ3 LYS 70 17.356 6.920 1.931 568 H LEU 71 HN LEU 71 11.328 8.969 4.185 569 HA LEU 71 HA LEU 71 9.174 7.544 2.831 570 HB2 LEU 71 HB2 LEU 71 9.814 6.974 5.452 571 HB3 LEU 71 HB1 LEU 71 8.477 8.096 5.600 572 HG LEU 71 HG LEU 71 8.428 5.305 4.931 573 HD11 LEU 71 HD11 LEU 71 5.970 5.703 5.223 574 HD12 LEU 71 HD12 LEU 71 6.356 7.408 5.465 575 HD13 LEU 71 HD13 LEU 71 6.990 6.191 6.576 576 HD21 LEU 71 HD21 LEU 71 8.366 5.733 2.636 577 HD22 LEU 71 HD22 LEU 71 7.401 7.197 2.837 578 HD23 LEU 71 HD23 LEU 71 6.667 5.609 3.088 579 H LEU 72 HN LEU 72 6.961 8.564 3.610 580 HA LEU 72 HA LEU 72 6.905 11.126 2.450 581 HB2 LEU 72 HB2 LEU 72 4.606 10.455 4.129 582 HB3 LEU 72 HB1 LEU 72 4.675 10.937 2.444 583 HG LEU 72 HG LEU 72 5.672 8.358 2.394 584 HD11 LEU 72 HD11 LEU 72 3.173 8.117 3.971 585 HD12 LEU 72 HD12 LEU 72 4.670 8.426 4.852 586 HD13 LEU 72 HD13 LEU 72 4.532 7.000 3.822 587 HD21 LEU 72 HD21 LEU 72 4.214 9.123 0.714 588 HD22 LEU 72 HD22 LEU 72 2.953 9.523 1.880 589 HD23 LEU 72 HD23 LEU 72 3.339 7.831 1.542 590 H LYS 73 HN LYS 73 5.340 12.737 3.531 591 HA LYS 73 HA LYS 73 6.758 13.915 5.731 592 HB2 LYS 73 HB2 LYS 73 4.181 14.842 4.449 593 HB3 LYS 73 HB1 LYS 73 5.265 15.800 5.430 594 HG2 LYS 73 HG2 LYS 73 5.598 16.512 3.222 595 HG3 LYS 73 HG1 LYS 73 6.982 15.485 3.584 596 HD2 LYS 73 HD2 LYS 73 4.783 13.991 2.452 597 HD3 LYS 73 HD1 LYS 73 5.295 15.317 1.402 598 HE2 LYS 73 HE2 LYS 73 7.562 14.530 1.432 599 HE3 LYS 73 HE1 LYS 73 7.157 13.287 2.614 600 HZ1 LYS 73 HZ1 LYS 73 7.195 12.189 0.571 601 HZ2 LYS 73 HZ2 LYS 73 6.395 13.442 -0.232 602 HZ3 LYS 73 HZ3 LYS 73 5.548 12.450 0.853 603 H GLU 74 HN GLU 74 6.313 13.443 7.760 604 HA GLU 74 HA GLU 74 4.273 11.841 8.722 605 HB2 GLU 74 HB2 GLU 74 6.210 12.236 10.054 606 HB3 GLU 74 HB1 GLU 74 5.920 13.965 10.092 607 HG2 GLU 74 HG2 GLU 74 4.103 13.741 11.544 608 HG3 GLU 74 HG1 GLU 74 3.995 12.001 11.275 609 H ASN 75 HN ASN 75 4.239 15.215 8.022 610 HA ASN 75 HA ASN 75 1.623 15.543 9.299 611 HB2 ASN 75 HB2 ASN 75 3.830 17.307 8.593 612 HB3 ASN 75 HB1 ASN 75 2.248 17.953 8.179 613 HD21 ASN 75 HD21 ASN 75 2.598 15.711 10.772 614 HD22 ASN 75 HD22 ASN 75 2.338 16.829 12.062 615 H ALA 76 HN ALA 76 2.255 14.164 6.639 616 HA ALA 76 HA ALA 76 0.271 15.655 5.049 617 HB1 ALA 76 HB1 ALA 76 2.484 15.737 4.009 618 HB2 ALA 76 HB2 ALA 76 1.331 14.835 3.020 619 HB3 ALA 76 HB3 ALA 76 2.531 13.973 3.985 620 H VAL 77 HN VAL 77 -1.511 14.650 4.566 621 HA VAL 77 HA VAL 77 -1.567 11.729 4.486 622 HB VAL 77 HB VAL 77 -2.348 11.998 6.655 623 HG11 VAL 77 HG11 VAL 77 -2.486 14.518 6.441 624 HG12 VAL 77 HG12 VAL 77 -3.633 13.738 7.535 625 HG13 VAL 77 HG13 VAL 77 -4.161 14.271 5.935 626 HG21 VAL 77 HG21 VAL 77 -3.940 10.645 5.487 627 HG22 VAL 77 HG22 VAL 77 -4.801 12.070 4.907 628 HG23 VAL 77 HG23 VAL 77 -4.818 11.669 6.625 629 HA PRO 78 HA PRO 78 -3.679 12.202 0.632 630 HB2 PRO 78 HB2 PRO 78 -5.451 10.049 1.033 631 HB3 PRO 78 HB1 PRO 78 -3.846 9.950 0.291 632 HG2 PRO 78 HG2 PRO 78 -4.671 9.357 3.069 633 HG3 PRO 78 HG1 PRO 78 -3.441 8.576 2.054 634 HD2 PRO 78 HD2 PRO 78 -2.731 10.229 4.006 635 HD3 PRO 78 HD1 PRO 78 -1.868 10.241 2.456 636 H THR 79 HN THR 79 -4.958 13.947 0.539 637 HA THR 79 HA THR 79 -7.510 13.931 2.002 638 HB THR 79 HB THR 79 -7.535 16.326 1.715 639 HG1 THR 79 HG1 THR 79 -5.526 17.238 0.688 640 HG21 THR 79 HG21 THR 79 -4.798 15.363 2.546 641 HG22 THR 79 HG22 THR 79 -6.214 15.513 3.594 642 HG23 THR 79 HG23 THR 79 -5.465 16.956 2.908 643 H ILE 80 HN ILE 80 -6.092 13.621 -1.015 644 HA ILE 80 HA ILE 80 -8.179 14.655 -2.676 645 HB ILE 80 HB ILE 80 -6.200 12.688 -3.713 646 HG12 ILE 80 HG12 ILE 80 -5.228 14.537 -1.995 647 HG13 ILE 80 HG11 ILE 80 -4.329 13.946 -3.380 648 HG21 ILE 80 HG21 ILE 80 -7.723 13.624 -5.287 649 HG22 ILE 80 HG22 ILE 80 -6.133 14.328 -5.587 650 HG23 ILE 80 HG23 ILE 80 -7.367 15.265 -4.741 651 HD11 ILE 80 HD11 ILE 80 -4.239 16.385 -3.116 652 HD12 ILE 80 HD12 ILE 80 -5.987 16.455 -3.347 653 HD13 ILE 80 HD13 ILE 80 -4.944 15.889 -4.653 654 H PHE 81 HN PHE 81 -8.363 12.161 -0.690 655 HA PHE 81 HA PHE 81 -8.984 9.837 -1.951 656 HB2 PHE 81 HB2 PHE 81 -10.122 11.145 0.472 657 HB3 PHE 81 HB1 PHE 81 -10.892 9.687 -0.135 658 HD1 PHE 81 HD1 PHE 81 -7.620 9.205 -1.057 659 HD2 PHE 81 HD2 PHE 81 -10.015 9.389 2.461 660 HE1 PHE 81 HE1 PHE 81 -5.980 7.826 0.125 661 HE2 PHE 81 HE2 PHE 81 -8.357 8.010 3.645 662 HZ PHE 81 HZ PHE 81 -6.342 7.227 2.471 663 H LEU 82 HN LEU 82 -11.198 12.608 -1.673 664 HA LEU 82 HA LEU 82 -12.512 11.856 -4.093 665 HB2 LEU 82 HB2 LEU 82 -13.549 10.806 -1.655 666 HB3 LEU 82 HB1 LEU 82 -14.674 12.017 -2.240 667 HG LEU 82 HG LEU 82 -14.513 9.323 -3.006 668 HD11 LEU 82 HD11 LEU 82 -16.321 10.002 -4.594 669 HD12 LEU 82 HD12 LEU 82 -16.008 11.676 -4.131 670 HD13 LEU 82 HD13 LEU 82 -16.555 10.514 -2.923 671 HD21 LEU 82 HD21 LEU 82 -13.778 11.063 -5.361 672 HD22 LEU 82 HD22 LEU 82 -14.107 9.342 -5.382 673 HD23 LEU 82 HD23 LEU 82 -12.673 9.952 -4.559 674 H GLU 83 HN GLU 83 -14.257 13.380 -4.634 675 HA GLU 83 HA GLU 83 -13.533 16.044 -4.342 676 HB2 GLU 83 HB2 GLU 83 -14.808 15.174 -6.211 677 HB3 GLU 83 HB1 GLU 83 -16.134 14.766 -5.126 678 HG2 GLU 83 HG2 GLU 83 -16.522 17.105 -4.679 679 HG3 GLU 83 HG1 GLU 83 -15.163 17.552 -5.711 680 H LEU 84 HN LEU 84 -15.886 14.126 -2.618 681 HA LEU 84 HA LEU 84 -17.315 16.202 -1.395 682 HB2 LEU 84 HB2 LEU 84 -17.943 13.764 -1.590 683 HB3 LEU 84 HB1 LEU 84 -16.863 13.449 -0.252 684 HG LEU 84 HG LEU 84 -19.436 13.721 0.143 685 HD11 LEU 84 HD11 LEU 84 -17.324 14.981 1.881 686 HD12 LEU 84 HD12 LEU 84 -17.886 13.311 1.921 687 HD13 LEU 84 HD13 LEU 84 -18.968 14.614 2.407 688 HD21 LEU 84 HD21 LEU 84 -20.096 15.981 0.743 689 HD22 LEU 84 HD22 LEU 84 -19.631 15.900 -0.955 690 HD23 LEU 84 HD23 LEU 84 -18.524 16.592 0.233 691 H VAL 85 HN VAL 85 -14.301 14.624 -0.409 692 HA VAL 85 HA VAL 85 -14.327 16.096 2.093 693 HB VAL 85 HB VAL 85 -12.085 14.983 2.468 694 HG11 VAL 85 HG11 VAL 85 -14.115 14.234 3.553 695 HG12 VAL 85 HG12 VAL 85 -13.117 12.850 3.110 696 HG13 VAL 85 HG13 VAL 85 -14.533 13.263 2.142 697 HG21 VAL 85 HG21 VAL 85 -12.978 13.330 0.111 698 HG22 VAL 85 HG22 VAL 85 -11.638 12.942 1.190 699 HG23 VAL 85 HG23 VAL 85 -11.561 14.379 0.171 700 HA PRO 86 HA PRO 86 -12.173 19.359 -0.099 701 HB2 PRO 86 HB2 PRO 86 -12.504 20.924 2.307 702 HB3 PRO 86 HB1 PRO 86 -13.326 21.110 0.750 703 HG2 PRO 86 HG2 PRO 86 -14.545 20.304 3.061 704 HG3 PRO 86 HG1 PRO 86 -15.141 19.981 1.424 705 HD2 PRO 86 HD2 PRO 86 -13.736 18.157 3.304 706 HD3 PRO 86 HD1 PRO 86 -14.971 17.803 2.089 707 H ARG 87 HN ARG 87 -10.250 20.570 0.230 708 HA ARG 87 HA ARG 87 -8.584 19.743 2.493 709 HB2 ARG 87 HB2 ARG 87 -6.669 19.744 0.672 710 HB3 ARG 87 HB1 ARG 87 -7.621 18.304 0.996 711 HG2 ARG 87 HG2 ARG 87 -8.768 20.032 -1.063 712 HG3 ARG 87 HG1 ARG 87 -7.181 19.372 -1.472 713 HD2 ARG 87 HD2 ARG 87 -8.137 17.122 -0.720 714 HD3 ARG 87 HD1 ARG 87 -9.714 17.907 -0.800 715 HE ARG 87 HE ARG 87 -8.100 18.149 -3.190 716 HH11 ARG 87 HH11 ARG 87 -10.564 16.325 -1.493 717 HH12 ARG 87 HH12 ARG 87 -11.153 15.547 -2.927 718 HH21 ARG 87 HH21 ARG 87 -8.879 17.131 -5.083 719 HH22 ARG 87 HH22 ARG 87 -10.195 16.005 -4.967 720 H5' DG 1 H5' G 1 32.120 -0.847 -6.404 721 H5'' DG 1 H5'' G 1 31.073 -1.288 -7.768 722 H4' DG 1 H4' G 1 31.657 -3.239 -6.464 723 H3' DG 1 H3' G 1 29.185 -2.918 -7.356 724 H2' DG 1 H2' G 1 28.270 -1.644 -5.543 725 H2'' DG 1 H2'' G 1 27.817 -3.272 -5.059 726 H1' DG 1 H1' G 1 29.587 -3.449 -3.485 727 H8 DG 1 H8 G 1 29.153 0.225 -4.621 728 H1 DG 1 H1 G 1 29.221 -0.767 1.711 729 H21 DG 1 H21 G 1 29.748 -4.099 0.871 730 H22 DG 1 H22 G 1 29.547 -2.920 2.141 731 HO5' DG 1 H5T G 1 29.315 -0.511 -6.652 732 H5' DC 2 H5' C 2 29.820 -6.195 -4.209 733 H5'' DC 2 H5'' C 2 29.399 -7.688 -5.072 734 H4' DC 2 H4' C 2 29.166 -8.228 -2.821 735 H3' DC 2 H3' C 2 26.984 -8.610 -4.277 736 H2' DC 2 H2' C 2 25.956 -6.460 -4.039 737 H2'' DC 2 H2'' C 2 25.171 -7.342 -2.736 738 H1' DC 2 H1' C 2 26.569 -6.411 -1.066 739 H41 DC 2 H41 C 2 25.923 -0.250 -3.447 740 H42 DC 2 H42 C 2 25.917 -0.155 -1.707 741 H5 DC 2 H5 C 2 26.231 -2.372 -4.634 742 H6 DC 2 H6 C 2 26.674 -4.751 -4.367 743 H5' DT 3 H5' T 3 26.607 -8.933 0.252 744 H5'' DT 3 H5'' T 3 26.125 -10.621 0.519 745 H4' DT 3 H4' T 3 25.481 -9.530 2.467 746 H3' DT 3 H3' T 3 23.512 -10.765 1.197 747 H2' DT 3 H2' T 3 22.786 -8.983 -0.241 748 H2'' DT 3 H2'' T 3 21.684 -8.789 1.115 749 H1' DT 3 H1' T 3 22.940 -7.013 2.065 750 H3 DT 3 H3 T 3 23.206 -3.250 -0.279 751 H71 DT 3 H71 T 3 23.944 -7.237 -3.803 752 H72 DT 3 H72 T 3 23.800 -5.529 -4.281 753 H73 DT 3 H73 T 3 22.337 -6.494 -3.971 754 H6 DT 3 H6 T 3 23.552 -7.861 -1.465 755 H5' DT 4 H5' T 4 22.541 -7.916 4.579 756 H5'' DT 4 H5'' T 4 21.873 -9.028 5.789 757 H4' DT 4 H4' T 4 21.167 -6.945 6.507 758 H3' DT 4 H3' T 4 19.191 -8.638 6.025 759 H2' DT 4 H2' T 4 18.805 -8.148 3.709 760 H2'' DT 4 H2'' T 4 17.616 -7.105 4.470 761 H1' DT 4 H1' T 4 18.980 -5.169 4.264 762 H3 DT 4 H3 T 4 19.910 -3.766 0.153 763 H71 DT 4 H71 T 4 20.617 -9.078 0.083 764 H72 DT 4 H72 T 4 20.727 -8.059 -1.372 765 H73 DT 4 H73 T 4 19.137 -8.610 -0.789 766 H6 DT 4 H6 T 4 19.828 -8.084 2.181 767 H5' DG 5 H5' G 5 18.147 -4.157 6.962 768 H5'' DG 5 H5'' G 5 17.191 -4.398 8.436 769 H4' DG 5 H4' G 5 16.540 -2.303 7.686 770 H3' DG 5 H3' G 5 14.543 -4.030 7.896 771 H2' DG 5 H2' G 5 14.598 -4.976 5.693 772 H2'' DG 5 H2'' G 5 13.403 -3.706 5.468 773 H1' DG 5 H1' G 5 14.941 -2.228 4.442 774 H8 DG 5 H8 G 5 16.161 -5.889 4.520 775 H1 DG 5 H1 G 5 16.741 -2.850 -1.100 776 H21 DG 5 H21 G 5 15.681 -0.060 0.659 777 H22 DG 5 H22 G 5 16.201 -0.702 -0.879 778 H5' DT 6 H5' T 6 13.571 -0.003 5.722 779 H5'' DT 6 H5'' T 6 12.399 0.642 6.890 780 H4' DT 6 H4' T 6 11.918 1.788 4.938 781 H3' DT 6 H3' T 6 9.872 0.406 5.883 782 H2' DT 6 H2' T 6 10.246 -1.675 4.766 783 H2'' DT 6 H2'' T 6 9.104 -0.911 3.680 784 H1' DT 6 H1' T 6 10.813 -0.235 2.155 785 H3 DT 6 H3 T 6 13.223 -3.463 0.185 786 H71 DT 6 H71 T 6 12.181 -5.035 5.242 787 H72 DT 6 H72 T 6 11.564 -6.072 3.935 788 H73 DT 6 H73 T 6 13.316 -5.920 4.197 789 H6 DT 6 H6 T 6 11.495 -2.869 4.592 790 H5' DG 7 H5' G 7 9.817 2.534 1.945 791 H5'' DG 7 H5'' G 7 8.446 3.658 1.993 792 H4' DG 7 H4' G 7 8.950 3.498 -0.265 793 H3' DG 7 H3' G 7 6.473 2.794 0.356 794 H2' DG 7 H2' G 7 6.821 0.458 0.767 795 H2'' DG 7 H2'' G 7 6.314 0.432 -0.917 796 H1' DG 7 H1' G 7 8.551 0.224 -1.726 797 H8 DG 7 H8 G 7 8.515 -0.486 2.083 798 H1 DG 7 H1 G 7 10.800 -5.159 -1.671 799 H21 DG 7 H21 G 7 10.295 -2.899 -4.255 800 H22 DG 7 H22 G 7 10.849 -4.487 -3.777 801 H5' DT 8 H5' T 8 7.792 1.341 -3.925 802 H5'' DT 8 H5'' T 8 6.727 2.429 -4.839 803 H4' DT 8 H4' T 8 7.121 0.671 -6.305 804 H3' DT 8 H3' T 8 4.564 1.081 -5.735 805 H2' DT 8 H2' T 8 4.358 -0.346 -3.811 806 H2'' DT 8 H2'' T 8 3.813 -1.424 -5.089 807 H1' DT 8 H1' T 8 5.910 -2.537 -5.236 808 H3 DT 8 H3 T 8 7.147 -4.917 -1.708 809 H71 DT 8 H71 T 8 5.175 -0.240 0.127 810 H72 DT 8 H72 T 8 6.174 -1.297 1.152 811 H73 DT 8 H73 T 8 4.485 -1.732 0.805 812 H6 DT 8 H6 T 8 5.311 -0.540 -2.187 813 H5' DG 9 H5' G 9 4.890 -3.595 -7.739 814 H5'' DG 9 H5'' G 9 4.057 -2.903 -9.146 815 H4' DG 9 H4' G 9 3.205 -5.036 -9.090 816 H3' DG 9 H3' G 9 1.358 -3.168 -8.708 817 H2' DG 9 H2' G 9 1.431 -3.002 -6.324 818 H2'' DG 9 H2'' G 9 0.127 -4.166 -6.527 819 H1' DG 9 H1' G 9 1.519 -6.028 -6.088 820 H8 DG 9 H8 G 9 2.199 -2.684 -4.535 821 H1 DG 9 H1 G 9 4.224 -7.692 -1.066 822 H21 DG 9 H21 G 9 3.861 -9.482 -3.992 823 H22 DG 9 H22 G 9 4.330 -9.490 -2.308 824 H5' DG 10 H5' G 10 0.491 -7.480 -8.033 825 H5'' DG 10 H5'' G 10 -0.534 -7.690 -9.463 826 H4' DG 10 H4' G 10 -0.867 -9.651 -8.323 827 H3' DG 10 H3' G 10 -3.101 -8.252 -8.592 828 H2' DG 10 H2' G 10 -3.030 -6.954 -6.574 829 H2'' DG 10 H2'' G 10 -3.993 -8.328 -6.034 830 H1' DG 10 H1' G 10 -2.184 -9.388 -4.988 831 H8 DG 10 H8 G 10 -1.668 -5.594 -5.535 832 H1 DG 10 H1 G 10 0.024 -8.008 0.175 833 H21 DG 10 H21 G 10 -0.401 -11.074 -1.382 834 H22 DG 10 H22 G 10 0.034 -10.234 0.086 835 H5' DG 11 H5' G 11 -2.924 -11.690 -5.457 836 H5'' DG 11 H5'' G 11 -3.461 -12.636 -6.862 837 H4' DG 11 H4' G 11 -3.713 -14.129 -5.132 838 H3' DG 11 H3' G 11 -5.995 -13.547 -6.344 839 H2' DG 11 H2' G 11 -6.698 -11.693 -5.025 840 H2'' DG 11 H2'' G 11 -7.522 -12.996 -4.183 841 H1' DG 11 H1' G 11 -5.910 -13.091 -2.444 842 H8 DG 11 H8 G 11 -5.951 -9.821 -4.487 843 H1 DG 11 H1 G 11 -5.100 -9.153 1.850 844 H21 DG 11 H21 G 11 -4.708 -12.586 1.854 845 H22 DG 11 H22 G 11 -4.707 -11.099 2.773 846 H5' DC 12 H5' C 12 -6.124 -16.144 -2.556 847 H5'' DC 12 H5'' C 12 -6.733 -17.671 -3.226 848 H4' DC 12 H4' C 12 -7.146 -17.827 -0.941 849 H3' DC 12 H3' C 12 -9.295 -18.098 -2.470 850 H2' DC 12 H2' C 12 -9.984 -15.817 -2.607 851 H2'' DC 12 H2'' C 12 -10.950 -16.353 -1.241 852 H1' DC 12 H1' C 12 -9.494 -15.384 0.358 853 H41 DC 12 H41 C 12 -9.260 -9.621 -2.934 854 H42 DC 12 H42 C 12 -9.206 -9.284 -1.227 855 H5 DC 12 H5 C 12 -9.222 -11.937 -3.784 856 H6 DC 12 H6 C 12 -9.105 -14.291 -3.156 857 H5' DA 13 H5' A 13 -9.962 -18.357 2.357 858 H5'' DA 13 H5'' A 13 -10.936 -19.838 2.385 859 H4' DA 13 H4' A 13 -11.413 -18.557 4.346 860 H3' DA 13 H3' A 13 -13.443 -19.547 2.957 861 H2' DA 13 H2' A 13 -13.798 -17.753 1.421 862 H2'' DA 13 H2'' A 13 -14.933 -17.308 2.688 863 H1' DA 13 H1' A 13 -13.500 -15.672 3.609 864 H8 DA 13 H8 A 13 -12.507 -16.723 0.014 865 H61 DA 13 H61 A 13 -11.998 -12.228 -1.778 866 H62 DA 13 H62 A 13 -12.042 -10.632 -1.061 867 H2 DA 13 H2 A 13 -12.862 -11.247 3.322 868 H5' DG 14 H5' G 14 -14.613 -16.706 6.729 869 H5'' DG 14 H5'' G 14 -15.739 -17.824 7.525 870 H4' DG 14 H4' G 14 -16.330 -15.624 8.184 871 H3' DG 14 H3' G 14 -18.263 -17.191 7.276 872 H2' DG 14 H2' G 14 -18.114 -16.687 4.941 873 H2'' DG 14 H2'' G 14 -19.364 -15.560 5.442 874 H1' DG 14 H1' G 14 -17.868 -13.715 5.518 875 H8 DG 14 H8 G 14 -16.579 -16.734 3.503 876 H1 DG 14 H1 G 14 -15.851 -10.989 0.739 877 H21 DG 14 H21 G 14 -16.983 -9.742 3.777 878 H22 DG 14 H22 G 14 -16.415 -9.387 2.162 879 H5' DC 15 H5' C 15 -19.591 -12.652 8.283 880 H5'' DC 15 H5'' C 15 -21.101 -12.925 9.173 881 H4' DC 15 H4' C 15 -21.212 -10.771 8.173 882 H3' DC 15 H3' C 15 -23.245 -12.442 7.839 883 H2' DC 15 H2' C 15 -22.606 -13.521 5.849 884 H2'' DC 15 H2'' C 15 -23.569 -12.220 5.167 885 H1' DC 15 H1' C 15 -21.688 -10.925 4.585 886 H41 DC 15 H41 C 15 -19.058 -16.200 1.693 887 H42 DC 15 H42 C 15 -18.641 -14.816 0.710 888 H5 DC 15 H5 C 15 -20.170 -16.019 3.833 889 H6 DC 15 H6 C 15 -21.155 -14.458 5.434 890 H5' DG 16 H5' G 16 -25.730 -7.915 7.206 891 H5'' DG 16 H5'' G 16 -27.208 -8.529 6.459 892 H4' DG 16 H4' G 16 -26.465 -6.239 5.742 893 H3' DG 16 H3' G 16 -27.766 -7.998 4.232 894 H2' DG 16 H2' G 16 -26.131 -9.137 3.172 895 H2'' DG 16 H2'' G 16 -26.317 -7.848 1.993 896 H1' DG 16 H1' G 16 -24.344 -6.767 2.697 897 H8 DG 16 H8 G 16 -23.773 -9.518 5.268 898 H1 DG 16 H1 G 16 -22.052 -11.158 -0.679 899 H21 DG 16 H21 G 16 -23.156 -8.015 -1.585 900 H22 DG 16 H22 G 16 -22.429 -9.528 -2.069 901 H5' DC 17 H5' C 17 -23.257 -14.552 -7.538 902 H5'' DC 17 H5'' C 17 -21.778 -15.038 -8.383 903 H4' DC 17 H4' C 17 -22.047 -12.610 -8.295 904 H3' DC 17 H3' C 17 -19.663 -13.738 -8.039 905 H2' DC 17 H2' C 17 -19.648 -14.126 -5.674 906 H2'' DC 17 H2'' C 17 -18.836 -12.568 -5.757 907 H1' DC 17 H1' C 17 -20.772 -11.363 -5.135 908 H41 DC 17 H41 C 17 -21.829 -15.503 -0.121 909 H42 DC 17 H42 C 17 -22.231 -13.901 0.451 910 H5 DC 17 H5 C 17 -21.268 -15.991 -2.421 911 H6 DC 17 H6 C 17 -20.890 -15.016 -4.627 912 H5' DG 18 H5' G 18 -20.065 -9.255 -7.140 913 H5'' DG 18 H5'' G 18 -18.897 -8.433 -8.193 914 H4' DG 18 H4' G 18 -19.382 -6.974 -6.392 915 H3' DG 18 H3' G 18 -16.828 -7.414 -6.938 916 H2' DG 18 H2' G 18 -16.445 -9.331 -5.551 917 H2'' DG 18 H2'' G 18 -15.928 -8.038 -4.477 918 H1' DG 18 H1' G 18 -17.953 -8.051 -3.245 919 H8 DG 18 H8 G 18 -17.344 -11.232 -5.330 920 H1 DG 18 H1 G 18 -19.376 -12.173 0.679 921 H21 DG 18 H21 G 18 -19.738 -8.718 0.765 922 H22 DG 18 H22 G 18 -19.888 -10.228 1.626 923 H5' DC 19 H5' C 19 -17.905 -5.215 -3.091 924 H5'' DC 19 H5'' C 19 -17.187 -3.607 -3.305 925 H4' DC 19 H4' C 19 -17.516 -3.817 -1.007 926 H3' DC 19 H3' C 19 -15.022 -3.286 -1.718 927 H2' DC 19 H2' C 19 -14.196 -5.518 -1.982 928 H2'' DC 19 H2'' C 19 -13.732 -5.195 -0.314 929 H1' DC 19 H1' C 19 -15.549 -6.408 0.587 930 H41 DC 19 H41 C 19 -14.569 -11.555 -3.450 931 H42 DC 19 H42 C 19 -15.047 -12.187 -1.892 932 H5 DC 19 H5 C 19 -14.528 -9.170 -3.943 933 H6 DC 19 H6 C 19 -14.847 -6.939 -3.007 934 H5' DT 20 H5' T 20 -15.624 -3.965 3.076 935 H5'' DT 20 H5'' T 20 -14.768 -2.525 3.660 936 H4' DT 20 H4' T 20 -14.733 -4.254 5.334 937 H3' DT 20 H3' T 20 -12.524 -2.885 4.842 938 H2' DT 20 H2' T 20 -11.631 -4.223 3.053 939 H2'' DT 20 H2'' T 20 -10.796 -4.913 4.437 940 H1' DT 20 H1' T 20 -12.262 -6.775 4.569 941 H3 DT 20 H3 T 20 -12.412 -9.578 1.131 942 H71 DT 20 H71 T 20 -12.623 -5.638 -1.750 943 H72 DT 20 H72 T 20 -11.549 -4.607 -0.775 944 H73 DT 20 H73 T 20 -10.902 -6.058 -1.578 945 H6 DT 20 H6 T 20 -12.233 -4.822 1.455 946 H5' DG 21 H5' G 21 -11.516 -7.009 7.562 947 H5'' DG 21 H5'' G 21 -11.057 -5.959 8.916 948 H4' DG 21 H4' G 21 -9.762 -7.860 9.222 949 H3' DG 21 H3' G 21 -8.356 -5.634 8.938 950 H2' DG 21 H2' G 21 -8.073 -5.631 6.564 951 H2'' DG 21 H2'' G 21 -6.593 -6.443 7.057 952 H1' DG 21 H1' G 21 -7.433 -8.599 6.542 953 H8 DG 21 H8 G 21 -8.858 -5.550 4.835 954 H1 DG 21 H1 G 21 -8.978 -10.871 1.263 955 H21 DG 21 H21 G 21 -8.253 -12.523 4.226 956 H22 DG 21 H22 G 21 -8.582 -12.642 2.517 957 H5' DC 22 H5' C 22 -6.175 -9.568 8.932 958 H5'' DC 22 H5'' C 22 -5.111 -9.485 10.349 959 H4' DC 22 H4' C 22 -4.212 -11.186 9.038 960 H3' DC 22 H3' C 22 -2.543 -9.196 9.590 961 H2' DC 22 H2' C 22 -2.953 -7.778 7.725 962 H2'' DC 22 H2'' C 22 -1.593 -8.707 7.107 963 H1' DC 22 H1' C 22 -2.955 -10.129 5.810 964 H41 DC 22 H41 C 22 -5.912 -4.881 3.068 965 H42 DC 22 H42 C 22 -5.893 -6.200 1.941 966 H5 DC 22 H5 C 22 -5.246 -5.271 5.487 967 H6 DC 22 H6 C 22 -4.302 -6.933 7.012 968 H5' DC 23 H5' C 23 -1.305 -12.163 6.283 969 H5'' DC 23 H5'' C 23 -0.370 -13.029 7.518 970 H4' DC 23 H4' C 23 0.369 -13.993 5.566 971 H3' DC 23 H3' C 23 2.305 -12.780 6.912 972 H2' DC 23 H2' C 23 2.156 -10.591 5.939 973 H2'' DC 23 H2'' C 23 3.397 -11.313 4.927 974 H1' DC 23 H1' C 23 1.893 -11.802 3.169 975 H41 DC 23 H41 C 23 -0.192 -5.587 3.087 976 H42 DC 23 H42 C 23 -0.199 -6.153 1.443 977 H5 DC 23 H5 C 23 0.234 -7.048 4.990 978 H6 DC 23 H6 C 23 0.722 -9.324 5.679 979 H5' DC 24 H5' C 24 3.307 -14.164 2.477 980 H5'' DC 24 H5'' C 24 4.344 -15.462 3.098 981 H4' DC 24 H4' C 24 5.016 -15.280 0.904 982 H3' DC 24 H3' C 24 6.959 -14.783 2.637 983 H2' DC 24 H2' C 24 6.681 -12.425 2.893 984 H2'' DC 24 H2'' C 24 7.906 -12.469 1.631 985 H1' DC 24 H1' C 24 6.332 -12.085 -0.105 986 H41 DC 24 H41 C 24 3.973 -6.815 3.049 987 H42 DC 24 H42 C 24 3.784 -6.542 1.332 988 H5 DC 24 H5 C 24 4.719 -8.973 3.944 989 H6 DC 24 H6 C 24 5.437 -11.229 3.355 990 H5' DA 25 H5' A 25 7.653 -14.036 -1.863 991 H5'' DA 25 H5'' A 25 8.876 -15.295 -2.109 992 H4' DA 25 H4' A 25 9.072 -13.948 -3.982 993 H3' DA 25 H3' A 25 11.312 -14.161 -2.591 994 H2' DA 25 H2' A 25 11.029 -12.311 -1.090 995 H2'' DA 25 H2'' A 25 11.972 -11.561 -2.370 996 H1' DA 25 H1' A 25 10.081 -10.535 -3.362 997 H8 DA 25 H8 A 25 9.514 -11.610 0.315 998 H61 DA 25 H61 A 25 7.567 -7.400 1.817 999 H62 DA 25 H62 A 25 7.086 -5.941 0.984 1000 H2 DA 25 H2 A 25 8.000 -6.574 -3.366 1001 H5' DC 26 H5' C 26 10.828 -11.150 -5.857 1002 H5'' DC 26 H5'' C 26 11.947 -11.777 -7.080 1003 H4' DC 26 H4' C 26 11.497 -9.635 -7.813 1004 H3' DC 26 H3' C 26 14.062 -10.075 -7.335 1005 H2' DC 26 H2' C 26 14.161 -9.429 -5.039 1006 H2'' DC 26 H2'' C 26 14.631 -7.924 -5.814 1007 H1' DC 26 H1' C 26 12.466 -6.966 -5.590 1008 H41 DC 26 H41 C 26 11.897 -8.644 0.790 1009 H42 DC 26 H42 C 26 11.231 -7.043 0.602 1010 H5 DC 26 H5 C 26 12.745 -9.953 -1.085 1011 H6 DC 26 H6 C 26 13.081 -9.980 -3.508 1012 H5' DA 27 H5' A 27 12.761 -5.690 -8.461 1013 H5'' DA 27 H5'' A 27 13.712 -5.503 -9.946 1014 H4' DA 27 H4' A 27 13.252 -3.325 -9.264 1015 H3' DA 27 H3' A 27 15.829 -3.870 -9.532 1016 H2' DA 27 H2' A 27 16.309 -4.646 -7.318 1017 H2'' DA 27 H2'' A 27 16.745 -2.952 -7.167 1018 H1' DA 27 H1' A 27 14.716 -2.376 -6.086 1019 H8 DA 27 H8 A 27 15.568 -6.136 -6.020 1020 H61 DA 27 H61 A 27 14.595 -6.889 -1.326 1021 H62 DA 27 H62 A 27 13.916 -5.897 -0.052 1022 H2 DA 27 H2 A 27 13.050 -1.894 -1.915 1023 H5' DC 28 H5' C 28 14.707 0.265 -7.627 1024 H5'' DC 28 H5'' C 28 15.510 1.375 -8.755 1025 H4' DC 28 H4' C 28 15.255 2.603 -6.791 1026 H3' DC 28 H3' C 28 17.754 2.420 -7.655 1027 H2' DC 28 H2' C 28 18.421 0.421 -6.523 1028 H2'' DC 28 H2'' C 28 18.977 1.640 -5.389 1029 H1' DC 28 H1' C 28 17.106 1.357 -3.949 1030 H41 DC 28 H41 C 28 17.814 -5.212 -3.970 1031 H42 DC 28 H42 C 28 17.247 -4.783 -2.379 1032 H5 DC 28 H5 C 28 18.027 -3.628 -5.793 1033 H6 DC 28 H6 C 28 17.779 -1.281 -6.435 1034 H5' DA 29 H5' A 29 16.946 4.315 -3.516 1035 H5'' DA 29 H5'' A 29 17.621 5.946 -3.697 1036 H4' DA 29 H4' A 29 17.524 5.605 -1.400 1037 H3' DA 29 H3' A 29 19.937 6.183 -2.324 1038 H2' DA 29 H2' A 29 20.731 3.979 -2.780 1039 H2'' DA 29 H2'' A 29 21.366 4.220 -1.164 1040 H1' DA 29 H1' A 29 19.636 2.941 -0.145 1041 H8 DA 29 H8 A 29 19.847 2.340 -3.958 1042 H61 DA 29 H61 A 29 20.155 -2.522 -3.770 1043 H62 DA 29 H62 A 29 20.060 -3.676 -2.459 1044 H2 DA 29 H2 A 29 19.403 -1.315 1.297 1045 H5' DA 30 H5' A 30 19.444 4.970 2.111 1046 H5'' DA 30 H5'' A 30 20.033 6.424 2.933 1047 H4' DA 30 H4' A 30 20.147 4.765 4.552 1048 H3' DA 30 H3' A 30 22.455 5.961 4.055 1049 H2' DA 30 H2' A 30 23.279 4.543 2.311 1050 H2'' DA 30 H2'' A 30 24.033 3.799 3.713 1051 H1' DA 30 H1' A 30 22.433 2.050 3.828 1052 H8 DA 30 H8 A 30 22.127 3.869 0.418 1053 H61 DA 30 H61 A 30 22.715 -0.055 -2.381 1054 H62 DA 30 H62 A 30 22.929 -1.759 -2.056 1055 H2 DA 30 H2 A 30 22.901 -2.173 2.435 1056 H5' DG 31 H5' G 31 22.559 2.172 6.656 1057 H5'' DG 31 H5'' G 31 23.070 2.854 8.212 1058 H4' DG 31 H4' G 31 23.568 0.591 8.388 1059 H3' DG 31 H3' G 31 25.648 2.194 8.734 1060 H2' DG 31 H2' G 31 26.410 2.359 6.464 1061 H2'' DG 31 H2'' G 31 27.405 1.033 7.051 1062 H1' DG 31 H1' G 31 26.051 -0.628 6.054 1063 H8 DG 31 H8 G 31 25.425 2.899 4.615 1064 H1 DG 31 H1 G 31 26.161 -1.821 0.333 1065 H21 DG 31 H21 G 31 26.319 -3.893 3.122 1066 H22 DG 31 H22 G 31 26.360 -3.765 1.377 1067 H5' DC 32 H5' C 32 26.513 -2.190 8.172 1068 H5'' DC 32 H5'' C 32 27.174 -2.738 9.724 1069 H4' DC 32 H4' C 32 27.888 -4.341 8.204 1070 H3' DC 32 H3' C 32 29.839 -3.142 9.535 1071 HO3' DC 32 H3T C 32 29.650 -5.259 8.009 1072 H2' DC 32 H2' C 32 30.262 -1.307 8.054 1073 H2'' DC 32 H2'' C 32 31.454 -2.466 7.480 1074 H1' DC 32 H1' C 32 30.124 -3.140 5.633 1075 H41 DC 32 H41 C 32 28.764 3.068 3.804 1076 H42 DC 32 H42 C 32 28.788 2.103 2.351 1077 H5 DC 32 H5 C 32 29.039 2.116 6.032 1078 H6 DC 32 H6 C 32 29.323 0.041 7.289 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 -3.351 -2.627 -3.265 2 H2 MET 1 HT2 MET 1 -5.018 -2.850 -3.041 3 H3 MET 1 HT3 MET 1 -4.461 -1.828 -4.268 4 HA MET 1 HA MET 1 -3.222 -4.028 -4.993 5 HB2 MET 1 HB2 MET 1 -5.881 -5.152 -4.214 6 HB3 MET 1 HB1 MET 1 -4.366 -5.986 -4.525 7 HG2 MET 1 HG2 MET 1 -4.661 -6.267 -2.256 8 HG3 MET 1 HG1 MET 1 -3.565 -4.888 -2.335 9 HE1 MET 1 HE1 MET 1 -7.498 -5.349 -2.753 10 HE2 MET 1 HE2 MET 1 -8.014 -4.797 -1.158 11 HE3 MET 1 HE3 MET 1 -7.011 -6.238 -1.310 12 H VAL 2 HN VAL 2 -4.963 -5.384 -6.598 13 HA VAL 2 HA VAL 2 -5.822 -3.265 -8.361 14 HB VAL 2 HB VAL 2 -6.420 -5.202 -9.893 15 HG11 VAL 2 HG11 VAL 2 -3.591 -4.881 -8.908 16 HG12 VAL 2 HG12 VAL 2 -4.379 -3.950 -10.180 17 HG13 VAL 2 HG13 VAL 2 -4.048 -5.666 -10.417 18 HG21 VAL 2 HG21 VAL 2 -5.639 -7.377 -9.386 19 HG22 VAL 2 HG22 VAL 2 -6.576 -6.845 -7.988 20 HG23 VAL 2 HG23 VAL 2 -4.814 -6.815 -7.933 21 H GLN 3 HN GLN 3 -7.381 -3.531 -5.953 22 HA GLN 3 HA GLN 3 -9.956 -4.334 -7.122 23 HB2 GLN 3 HB2 GLN 3 -8.944 -4.436 -4.294 24 HB3 GLN 3 HB1 GLN 3 -10.669 -4.334 -4.614 25 HG2 GLN 3 HG2 GLN 3 -10.494 -6.369 -6.008 26 HG3 GLN 3 HG1 GLN 3 -8.798 -6.501 -5.542 27 HE21 GLN 3 HE21 GLN 3 -12.102 -6.662 -4.424 28 HE22 GLN 3 HE22 GLN 3 -11.778 -7.541 -2.971 29 H SER 4 HN SER 4 -8.622 -2.105 -4.688 30 HA SER 4 HA SER 4 -9.475 0.244 -5.948 31 HB2 SER 4 HB2 SER 4 -11.586 0.653 -5.124 32 HB3 SER 4 HB1 SER 4 -11.605 -1.072 -4.897 33 HG SER 4 HG SER 4 -10.475 0.381 -2.825 34 H CYS 5 HN CYS 5 -8.970 2.124 -4.611 35 HA CYS 5 HA CYS 5 -6.797 1.605 -2.809 36 HB2 CYS 5 HB2 CYS 5 -7.973 4.332 -3.119 37 HB3 CYS 5 HB1 CYS 5 -6.282 3.845 -3.055 38 H SER 6 HN SER 6 -6.769 3.003 -0.713 39 HA SER 6 HA SER 6 -8.882 2.077 0.967 40 HB2 SER 6 HB2 SER 6 -6.306 2.580 1.445 41 HB3 SER 6 HB1 SER 6 -6.955 4.146 1.933 42 HG SER 6 HG SER 6 -7.569 1.584 2.986 43 H ALA 7 HN ALA 7 -9.015 4.483 -1.154 44 HA ALA 7 HA ALA 7 -10.109 6.604 0.460 45 HB1 ALA 7 HB1 ALA 7 -8.903 7.059 -1.630 46 HB2 ALA 7 HB2 ALA 7 -10.535 7.724 -1.639 47 HB3 ALA 7 HB3 ALA 7 -10.180 6.246 -2.532 48 H TYR 8 HN TYR 8 -12.286 7.503 -0.821 49 HA TYR 8 HA TYR 8 -14.245 5.403 -0.230 50 HB2 TYR 8 HB2 TYR 8 -14.441 7.304 1.212 51 HB3 TYR 8 HB1 TYR 8 -14.404 8.418 -0.146 52 HD1 TYR 8 HD1 TYR 8 -16.454 5.350 -0.204 53 HD2 TYR 8 HD2 TYR 8 -16.425 9.548 0.513 54 HE1 TYR 8 HE1 TYR 8 -18.910 5.364 -0.236 55 HE2 TYR 8 HE2 TYR 8 -18.887 9.569 0.467 56 HH TYR 8 HH TYR 8 -20.721 7.986 -0.671 57 H GLY 9 HN GLY 9 -14.230 4.415 -2.279 58 HA2 GLY 9 HA2 GLY 9 -15.687 4.152 -4.139 59 HA3 GLY 9 HA1 GLY 9 -15.830 5.896 -4.236 60 H CYS 10 HN CYS 10 -12.603 5.127 -3.823 61 HA CYS 10 HA CYS 10 -12.085 5.752 -6.581 62 HB2 CYS 10 HB2 CYS 10 -10.742 6.766 -4.762 63 HB3 CYS 10 HB1 CYS 10 -10.076 5.175 -4.401 64 H LYS 11 HN LYS 11 -13.087 3.732 -7.363 65 HA LYS 11 HA LYS 11 -11.502 1.318 -7.037 66 HB2 LYS 11 HB2 LYS 11 -13.984 1.959 -8.637 67 HB3 LYS 11 HB1 LYS 11 -13.157 0.413 -8.759 68 HG2 LYS 11 HG2 LYS 11 -13.473 0.148 -6.290 69 HG3 LYS 11 HG1 LYS 11 -14.488 1.590 -6.335 70 HD2 LYS 11 HD2 LYS 11 -15.924 -0.325 -6.432 71 HD3 LYS 11 HD1 LYS 11 -15.925 0.424 -8.029 72 HE2 LYS 11 HE2 LYS 11 -14.512 -1.253 -8.923 73 HE3 LYS 11 HE1 LYS 11 -14.091 -1.855 -7.319 74 HZ1 LYS 11 HZ1 LYS 11 -15.775 -3.166 -8.693 75 HZ2 LYS 11 HZ2 LYS 11 -16.882 -1.950 -8.291 76 HZ3 LYS 11 HZ3 LYS 11 -16.151 -2.868 -7.070 77 H ASN 12 HN ASN 12 -9.975 3.322 -7.954 78 HA ASN 12 HA ASN 12 -9.739 3.339 -10.824 79 HB2 ASN 12 HB2 ASN 12 -7.994 4.425 -8.651 80 HB3 ASN 12 HB1 ASN 12 -7.661 4.648 -10.359 81 HD21 ASN 12 HD21 ASN 12 -7.815 6.893 -10.163 82 HD22 ASN 12 HD22 ASN 12 -9.332 7.695 -9.974 83 H ARG 13 HN ARG 13 -9.652 0.846 -10.043 84 HA ARG 13 HA ARG 13 -7.600 -0.697 -9.411 85 HB2 ARG 13 HB2 ARG 13 -9.838 -1.187 -10.654 86 HB3 ARG 13 HB1 ARG 13 -8.867 -1.133 -12.107 87 HG2 ARG 13 HG2 ARG 13 -8.497 -3.025 -9.791 88 HG3 ARG 13 HG1 ARG 13 -9.250 -3.404 -11.338 89 HD2 ARG 13 HD2 ARG 13 -6.818 -2.380 -12.097 90 HD3 ARG 13 HD1 ARG 13 -6.429 -3.243 -10.612 91 HE ARG 13 HE ARG 13 -7.743 -5.156 -11.740 92 HH11 ARG 13 HH11 ARG 13 -5.737 -2.852 -13.474 93 HH12 ARG 13 HH12 ARG 13 -5.277 -4.000 -14.695 94 HH21 ARG 13 HH21 ARG 13 -7.134 -6.642 -13.365 95 HH22 ARG 13 HH22 ARG 13 -6.071 -6.130 -14.640 96 H TYR 14 HN TYR 14 -5.483 -0.891 -9.932 97 HA TYR 14 HA TYR 14 -3.842 0.693 -11.235 98 HB2 TYR 14 HB2 TYR 14 -3.563 -1.848 -10.266 99 HB3 TYR 14 HB1 TYR 14 -3.207 -2.073 -11.973 100 HD1 TYR 14 HD1 TYR 14 -1.718 0.340 -12.709 101 HD2 TYR 14 HD2 TYR 14 -1.576 -1.949 -9.123 102 HE1 TYR 14 HE1 TYR 14 0.570 1.130 -12.300 103 HE2 TYR 14 HE2 TYR 14 0.714 -1.165 -8.709 104 HH TYR 14 HH TYR 14 2.542 -0.197 -9.731 105 H ASP 15 HN ASP 15 -4.092 1.694 -13.070 106 HA ASP 15 HA ASP 15 -4.465 0.126 -15.526 107 HB2 ASP 15 HB2 ASP 15 -6.552 1.365 -14.972 108 HB3 ASP 15 HB1 ASP 15 -5.629 2.864 -14.962 109 H LYS 16 HN LYS 16 -2.628 0.224 -16.518 110 HA LYS 16 HA LYS 16 -0.539 1.989 -16.005 111 HB2 LYS 16 HB2 LYS 16 0.599 0.555 -17.283 112 HB3 LYS 16 HB1 LYS 16 -0.904 -0.347 -17.401 113 HG2 LYS 16 HG2 LYS 16 -1.316 1.374 -19.392 114 HG3 LYS 16 HG1 LYS 16 0.446 1.344 -19.414 115 HD2 LYS 16 HD2 LYS 16 0.440 -1.060 -19.670 116 HD3 LYS 16 HD1 LYS 16 -1.320 -1.097 -19.522 117 HE2 LYS 16 HE2 LYS 16 -0.102 0.616 -21.623 118 HE3 LYS 16 HE1 LYS 16 -0.140 -1.128 -21.885 119 HZ1 LYS 16 HZ1 LYS 16 -2.426 0.713 -21.468 120 HZ2 LYS 16 HZ2 LYS 16 -2.580 -0.974 -21.385 121 HZ3 LYS 16 HZ3 LYS 16 -2.089 -0.241 -22.827 122 H ASP 17 HN ASP 17 -3.234 2.298 -18.184 123 HA ASP 17 HA ASP 17 -2.078 4.270 -19.871 124 HB2 ASP 17 HB2 ASP 17 -4.991 3.654 -19.317 125 HB3 ASP 17 HB1 ASP 17 -4.408 4.715 -20.595 126 H LYS 18 HN LYS 18 -3.696 4.299 -16.809 127 HA LYS 18 HA LYS 18 -3.927 7.198 -16.818 128 HB2 LYS 18 HB2 LYS 18 -5.462 6.958 -15.169 129 HB3 LYS 18 HB1 LYS 18 -5.540 5.314 -15.776 130 HG2 LYS 18 HG2 LYS 18 -3.851 4.693 -14.023 131 HG3 LYS 18 HG1 LYS 18 -4.087 6.301 -13.342 132 HD2 LYS 18 HD2 LYS 18 -6.200 4.173 -13.690 133 HD3 LYS 18 HD1 LYS 18 -5.480 4.698 -12.169 134 HE2 LYS 18 HE2 LYS 18 -7.364 5.954 -12.097 135 HE3 LYS 18 HE1 LYS 18 -6.371 7.054 -13.054 136 HZ1 LYS 18 HZ1 LYS 18 -8.097 5.022 -14.327 137 HZ2 LYS 18 HZ2 LYS 18 -7.447 6.427 -15.010 138 HZ3 LYS 18 HZ3 LYS 18 -8.700 6.535 -13.886 139 HA PRO 19 HA PRO 19 -0.026 7.573 -14.788 140 HB2 PRO 19 HB2 PRO 19 -0.132 10.178 -14.077 141 HB3 PRO 19 HB1 PRO 19 0.018 9.665 -15.769 142 HG2 PRO 19 HG2 PRO 19 -2.359 10.658 -14.300 143 HG3 PRO 19 HG1 PRO 19 -1.875 10.921 -15.985 144 HD2 PRO 19 HD2 PRO 19 -3.783 9.093 -15.149 145 HD3 PRO 19 HD1 PRO 19 -2.930 9.049 -16.703 146 H VAL 20 HN VAL 20 -0.881 6.090 -13.050 147 HA VAL 20 HA VAL 20 -0.537 7.441 -10.509 148 HB VAL 20 HB VAL 20 -2.358 6.590 -9.332 149 HG11 VAL 20 HG11 VAL 20 -3.224 8.421 -10.453 150 HG12 VAL 20 HG12 VAL 20 -4.434 7.158 -10.694 151 HG13 VAL 20 HG13 VAL 20 -3.311 7.566 -11.996 152 HG21 VAL 20 HG21 VAL 20 -2.780 4.701 -11.613 153 HG22 VAL 20 HG22 VAL 20 -4.045 5.018 -10.425 154 HG23 VAL 20 HG23 VAL 20 -2.497 4.352 -9.903 155 H SER 21 HN SER 21 0.229 6.095 -8.880 156 HA SER 21 HA SER 21 1.046 3.395 -9.723 157 HB2 SER 21 HB2 SER 21 2.716 5.072 -7.862 158 HB3 SER 21 HB1 SER 21 3.197 3.681 -8.832 159 HG SER 21 HG SER 21 2.715 5.117 -10.695 160 H PHE 22 HN PHE 22 1.491 1.969 -7.765 161 HA PHE 22 HA PHE 22 -0.379 2.742 -5.642 162 HB2 PHE 22 HB2 PHE 22 0.149 0.175 -7.014 163 HB3 PHE 22 HB1 PHE 22 -0.127 0.066 -5.280 164 HD1 PHE 22 HD2 PHE 22 -2.288 0.799 -4.329 165 HD2 PHE 22 HD1 PHE 22 -1.632 0.662 -8.530 166 HE1 PHE 22 HE2 PHE 22 -4.720 0.893 -4.709 167 HE2 PHE 22 HE1 PHE 22 -4.073 0.744 -8.925 168 HZ PHE 22 HZ PHE 22 -5.607 0.868 -7.003 169 H HIS 23 HN HIS 23 0.114 1.960 -3.496 170 HA HIS 23 HA HIS 23 2.892 1.373 -2.781 171 HB2 HIS 23 HB2 HIS 23 1.850 3.533 -1.132 172 HB3 HIS 23 HB1 HIS 23 3.434 3.364 -1.856 173 HD1 HIS 23 HD1 HIS 23 -0.037 4.401 -2.790 174 HD2 HIS 23 HD2 HIS 23 3.886 5.161 -3.894 175 HE1 HIS 23 HE1 HIS 23 -0.195 6.214 -4.472 176 HE2 HIS 23 HE2 HIS 23 2.220 6.750 -5.081 177 H LYS 24 HN LYS 24 2.941 1.368 -0.221 178 HA LYS 24 HA LYS 24 0.398 0.142 0.609 179 HB2 LYS 24 HB2 LYS 24 3.252 -0.465 1.209 180 HB3 LYS 24 HB1 LYS 24 2.123 -0.653 2.541 181 HG2 LYS 24 HG2 LYS 24 0.976 -2.369 1.505 182 HG3 LYS 24 HG1 LYS 24 1.511 -1.890 -0.107 183 HD2 LYS 24 HD2 LYS 24 2.624 -3.928 0.576 184 HD3 LYS 24 HD1 LYS 24 3.787 -2.611 0.448 185 HE2 LYS 24 HE2 LYS 24 3.521 -2.300 2.937 186 HE3 LYS 24 HE1 LYS 24 2.623 -3.817 2.946 187 HZ1 LYS 24 HZ1 LYS 24 4.705 -4.717 1.750 188 HZ2 LYS 24 HZ2 LYS 24 4.758 -4.488 3.423 189 HZ3 LYS 24 HZ3 LYS 24 5.479 -3.357 2.394 190 H PHE 25 HN PHE 25 -0.007 0.529 3.099 191 HA PHE 25 HA PHE 25 -0.157 3.297 3.626 192 HB2 PHE 25 HB2 PHE 25 -0.697 0.824 5.127 193 HB3 PHE 25 HB1 PHE 25 -0.179 2.159 6.134 194 HD1 PHE 25 HD2 PHE 25 -2.623 1.459 3.417 195 HD2 PHE 25 HD1 PHE 25 -1.784 3.579 6.995 196 HE1 PHE 25 HE2 PHE 25 -4.921 2.354 3.420 197 HE2 PHE 25 HE1 PHE 25 -4.082 4.450 7.021 198 HZ PHE 25 HZ PHE 25 -5.650 3.842 5.231 199 HA PRO 26 HA PRO 26 3.814 4.272 5.402 200 HB2 PRO 26 HB2 PRO 26 3.110 6.034 7.348 201 HB3 PRO 26 HB1 PRO 26 3.025 6.459 5.626 202 HG2 PRO 26 HG2 PRO 26 0.848 5.511 7.432 203 HG3 PRO 26 HG1 PRO 26 0.847 6.886 6.308 204 HD2 PRO 26 HD2 PRO 26 -0.277 4.574 5.622 205 HD3 PRO 26 HD1 PRO 26 0.640 5.526 4.444 206 H LEU 27 HN LEU 27 3.752 1.962 6.201 207 HA LEU 27 HA LEU 27 2.789 1.368 8.799 208 HB2 LEU 27 HB2 LEU 27 4.595 0.004 6.839 209 HB3 LEU 27 HB1 LEU 27 4.390 -0.645 8.459 210 HG LEU 27 HG LEU 27 2.182 -0.189 6.434 211 HD11 LEU 27 HD11 LEU 27 3.567 -2.666 7.437 212 HD12 LEU 27 HD12 LEU 27 3.429 -2.087 5.776 213 HD13 LEU 27 HD13 LEU 27 2.005 -2.697 6.620 214 HD21 LEU 27 HD21 LEU 27 2.141 -1.165 9.276 215 HD22 LEU 27 HD22 LEU 27 0.824 -1.442 8.131 216 HD23 LEU 27 HD23 LEU 27 1.276 0.204 8.577 217 H THR 28 HN THR 28 5.672 2.719 7.571 218 HA THR 28 HA THR 28 7.078 2.375 10.071 219 HB THR 28 HB THR 28 8.987 3.314 8.878 220 HG1 THR 28 HG1 THR 28 8.179 3.543 6.399 221 HG21 THR 28 HG21 THR 28 9.106 1.644 7.030 222 HG22 THR 28 HG22 THR 28 7.383 1.312 7.270 223 HG23 THR 28 HG23 THR 28 8.547 0.955 8.555 224 H ARG 29 HN ARG 29 4.677 4.230 9.274 225 HA ARG 29 HA ARG 29 5.526 6.503 10.900 226 HB2 ARG 29 HB2 ARG 29 4.842 6.558 8.034 227 HB3 ARG 29 HB1 ARG 29 3.871 7.654 8.991 228 HG2 ARG 29 HG2 ARG 29 6.841 7.676 9.241 229 HG3 ARG 29 HG1 ARG 29 6.038 8.486 7.893 230 HD2 ARG 29 HD2 ARG 29 5.597 10.220 9.185 231 HD3 ARG 29 HD1 ARG 29 4.661 9.186 10.261 232 HE ARG 29 HE ARG 29 6.434 9.091 11.716 233 HH11 ARG 29 HH11 ARG 29 7.473 10.664 8.757 234 HH12 ARG 29 HH12 ARG 29 8.972 11.215 9.428 235 HH21 ARG 29 HH21 ARG 29 8.392 9.803 12.593 236 HH22 ARG 29 HH22 ARG 29 9.493 10.726 11.622 237 HA PRO 30 HA PRO 30 1.470 4.125 11.747 238 HB2 PRO 30 HB2 PRO 30 1.888 4.533 14.490 239 HB3 PRO 30 HB1 PRO 30 2.135 3.030 13.586 240 HG2 PRO 30 HG2 PRO 30 4.112 5.066 14.441 241 HG3 PRO 30 HG1 PRO 30 4.310 3.320 14.230 242 HD2 PRO 30 HD2 PRO 30 5.310 5.052 12.471 243 HD3 PRO 30 HD1 PRO 30 4.637 3.490 11.960 244 H SER 31 HN SER 31 2.501 6.853 13.922 245 HA SER 31 HA SER 31 -0.082 7.709 14.501 246 HB2 SER 31 HB2 SER 31 2.346 9.492 14.172 247 HB3 SER 31 HB1 SER 31 0.902 9.847 15.114 248 HG SER 31 HG SER 31 3.098 8.390 15.777 249 H LEU 32 HN LEU 32 2.039 8.622 11.849 250 HA LEU 32 HA LEU 32 0.224 10.417 10.625 251 HB2 LEU 32 HB2 LEU 32 2.639 10.452 10.229 252 HB3 LEU 32 HB1 LEU 32 2.569 8.846 9.548 253 HG LEU 32 HG LEU 32 2.767 10.981 8.035 254 HD11 LEU 32 HD11 LEU 32 1.646 9.749 6.222 255 HD12 LEU 32 HD12 LEU 32 1.038 8.612 7.425 256 HD13 LEU 32 HD13 LEU 32 2.778 8.774 7.162 257 HD21 LEU 32 HD21 LEU 32 -0.174 10.786 8.568 258 HD22 LEU 32 HD22 LEU 32 0.503 11.544 7.122 259 HD23 LEU 32 HD23 LEU 32 0.883 12.198 8.716 260 H CYS 33 HN CYS 33 0.775 6.968 10.486 261 HA CYS 33 HA CYS 33 -0.709 6.297 8.161 262 HB2 CYS 33 HB2 CYS 33 0.834 4.769 9.411 263 HB3 CYS 33 HB1 CYS 33 -0.303 4.774 10.761 264 HG CYS 33 HG CYS 33 -0.113 2.587 8.480 265 H LYS 34 HN LYS 34 -1.427 6.924 11.454 266 HA LYS 34 HA LYS 34 -4.048 5.917 11.553 267 HB2 LYS 34 HB2 LYS 34 -2.992 6.040 13.569 268 HB3 LYS 34 HB1 LYS 34 -2.266 7.595 13.219 269 HG2 LYS 34 HG2 LYS 34 -4.894 8.264 13.304 270 HG3 LYS 34 HG1 LYS 34 -4.806 6.969 14.506 271 HD2 LYS 34 HD2 LYS 34 -2.563 8.329 15.124 272 HD3 LYS 34 HD1 LYS 34 -3.574 9.652 14.520 273 HE2 LYS 34 HE2 LYS 34 -3.812 9.361 16.950 274 HE3 LYS 34 HE1 LYS 34 -5.329 9.065 16.104 275 HZ1 LYS 34 HZ1 LYS 34 -4.860 7.417 17.847 276 HZ2 LYS 34 HZ2 LYS 34 -3.467 6.934 17.020 277 HZ3 LYS 34 HZ3 LYS 34 -4.986 6.707 16.320 278 H GLU 35 HN GLU 35 -2.773 9.110 10.564 279 HA GLU 35 HA GLU 35 -5.411 10.254 10.867 280 HB2 GLU 35 HB2 GLU 35 -4.393 12.020 9.176 281 HB3 GLU 35 HB1 GLU 35 -4.100 12.077 10.891 282 HG2 GLU 35 HG2 GLU 35 -2.003 10.712 10.395 283 HG3 GLU 35 HG1 GLU 35 -2.266 11.210 8.723 284 H TRP 36 HN TRP 36 -3.826 8.317 8.534 285 HA TRP 36 HA TRP 36 -5.294 9.153 6.275 286 HB2 TRP 36 HB2 TRP 36 -4.097 6.456 6.951 287 HB3 TRP 36 HB1 TRP 36 -4.828 6.843 5.393 288 HD1 TRP 36 HD1 TRP 36 -2.608 9.360 7.248 289 HE1 TRP 36 HE1 TRP 36 -0.492 9.785 5.854 290 HE3 TRP 36 HE3 TRP 36 -3.291 5.793 3.616 291 HZ2 TRP 36 HZ2 TRP 36 0.740 8.732 3.555 292 HZ3 TRP 36 HZ3 TRP 36 -1.590 5.593 1.851 293 HH2 TRP 36 HH2 TRP 36 0.389 7.023 1.831 294 H GLU 37 HN GLU 37 -5.994 7.209 9.063 295 HA GLU 37 HA GLU 37 -8.357 5.948 8.131 296 HB2 GLU 37 HB2 GLU 37 -7.899 6.826 10.986 297 HB3 GLU 37 HB1 GLU 37 -8.821 5.439 10.414 298 HG2 GLU 37 HG2 GLU 37 -5.901 5.513 9.847 299 HG3 GLU 37 HG1 GLU 37 -6.436 5.224 11.497 300 H ALA 38 HN ALA 38 -7.591 9.053 9.504 301 HA ALA 38 HA ALA 38 -10.182 9.966 10.098 302 HB1 ALA 38 HB1 ALA 38 -9.145 12.222 10.105 303 HB2 ALA 38 HB2 ALA 38 -7.652 11.491 9.514 304 HB3 ALA 38 HB3 ALA 38 -8.287 11.041 11.095 305 H ALA 39 HN ALA 39 -8.385 9.738 7.140 306 HA ALA 39 HA ALA 39 -10.121 11.605 5.751 307 HB1 ALA 39 HB1 ALA 39 -7.923 9.802 4.729 308 HB2 ALA 39 HB2 ALA 39 -7.798 11.527 5.077 309 HB3 ALA 39 HB3 ALA 39 -8.814 10.966 3.750 310 H VAL 40 HN VAL 40 -9.889 8.242 6.440 311 HA VAL 40 HA VAL 40 -11.817 7.468 4.379 312 HB VAL 40 HB VAL 40 -10.864 5.622 6.526 313 HG11 VAL 40 HG11 VAL 40 -11.464 5.278 3.596 314 HG12 VAL 40 HG12 VAL 40 -12.516 4.825 4.936 315 HG13 VAL 40 HG13 VAL 40 -10.982 3.986 4.692 316 HG21 VAL 40 HG21 VAL 40 -8.821 5.105 5.362 317 HG22 VAL 40 HG22 VAL 40 -8.847 6.841 5.690 318 HG23 VAL 40 HG23 VAL 40 -9.220 6.243 4.074 319 H ARG 41 HN ARG 41 -12.754 9.310 6.073 320 HA ARG 41 HA ARG 41 -14.057 8.559 8.409 321 HB2 ARG 41 HB2 ARG 41 -15.186 10.621 8.299 322 HB3 ARG 41 HB1 ARG 41 -13.624 10.889 7.546 323 HG2 ARG 41 HG2 ARG 41 -16.031 10.246 5.882 324 HG3 ARG 41 HG1 ARG 41 -15.729 11.889 6.448 325 HD2 ARG 41 HD2 ARG 41 -13.328 11.390 5.444 326 HD3 ARG 41 HD1 ARG 41 -14.247 10.246 4.462 327 HE ARG 41 HE ARG 41 -15.556 12.729 4.421 328 HH11 ARG 41 HH11 ARG 41 -12.591 11.254 3.254 329 HH12 ARG 41 HH12 ARG 41 -12.472 12.303 1.877 330 HH21 ARG 41 HH21 ARG 41 -15.394 14.106 2.619 331 HH22 ARG 41 HH22 ARG 41 -14.072 13.931 1.509 332 H ARG 42 HN ARG 42 -14.697 6.855 5.849 333 HA ARG 42 HA ARG 42 -17.613 7.091 5.991 334 HB2 ARG 42 HB2 ARG 42 -15.785 6.522 3.858 335 HB3 ARG 42 HB1 ARG 42 -16.901 5.174 4.042 336 HG2 ARG 42 HG2 ARG 42 -17.711 6.842 2.442 337 HG3 ARG 42 HG1 ARG 42 -18.794 6.678 3.828 338 HD2 ARG 42 HD2 ARG 42 -17.252 8.632 4.760 339 HD3 ARG 42 HD1 ARG 42 -17.033 8.938 3.040 340 HE ARG 42 HE ARG 42 -19.447 9.204 2.882 341 HH11 ARG 42 HH11 ARG 42 -18.060 9.320 6.108 342 HH12 ARG 42 HH12 ARG 42 -19.364 10.250 6.762 343 HH21 ARG 42 HH21 ARG 42 -21.168 10.414 3.766 344 HH22 ARG 42 HH22 ARG 42 -21.121 10.871 5.436 345 H LYS 43 HN LYS 43 -18.929 5.248 6.246 346 HA LYS 43 HA LYS 43 -18.206 3.533 8.316 347 HB2 LYS 43 HB2 LYS 43 -20.474 3.572 8.185 348 HB3 LYS 43 HB1 LYS 43 -20.465 3.786 6.443 349 HG2 LYS 43 HG2 LYS 43 -19.978 1.379 6.180 350 HG3 LYS 43 HG1 LYS 43 -20.106 1.194 7.929 351 HD2 LYS 43 HD2 LYS 43 -22.436 2.037 7.800 352 HD3 LYS 43 HD1 LYS 43 -22.283 2.102 6.042 353 HE2 LYS 43 HE2 LYS 43 -21.854 -0.307 5.993 354 HE3 LYS 43 HE1 LYS 43 -22.013 -0.375 7.747 355 HZ1 LYS 43 HZ1 LYS 43 -24.021 -1.024 6.414 356 HZ2 LYS 43 HZ2 LYS 43 -24.174 0.603 5.980 357 HZ3 LYS 43 HZ3 LYS 43 -24.283 0.148 7.605 358 H ASN 44 HN ASN 44 -18.303 2.963 4.828 359 HA ASN 44 HA ASN 44 -17.357 0.269 5.143 360 HB2 ASN 44 HB2 ASN 44 -17.128 0.612 2.503 361 HB3 ASN 44 HB1 ASN 44 -18.665 0.258 3.279 362 HD21 ASN 44 HD21 ASN 44 -19.904 1.213 1.746 363 HD22 ASN 44 HD22 ASN 44 -19.947 2.920 1.482 364 H PHE 45 HN PHE 45 -15.519 1.246 6.403 365 HA PHE 45 HA PHE 45 -13.354 2.518 5.136 366 HB2 PHE 45 HB2 PHE 45 -13.690 2.289 7.628 367 HB3 PHE 45 HB1 PHE 45 -13.245 0.595 7.489 368 HD1 PHE 45 HD1 PHE 45 -10.934 0.068 6.569 369 HD2 PHE 45 HD2 PHE 45 -12.029 3.927 7.984 370 HE1 PHE 45 HE1 PHE 45 -8.563 0.636 6.823 371 HE2 PHE 45 HE2 PHE 45 -9.662 4.512 8.230 372 HZ PHE 45 HZ PHE 45 -7.916 2.870 7.650 373 H LYS 46 HN LYS 46 -12.030 1.788 3.652 374 HA LYS 46 HA LYS 46 -12.215 -0.828 2.574 375 HB2 LYS 46 HB2 LYS 46 -11.107 1.703 1.881 376 HB3 LYS 46 HB1 LYS 46 -9.886 0.460 1.627 377 HG2 LYS 46 HG2 LYS 46 -10.891 -0.187 -0.230 378 HG3 LYS 46 HG1 LYS 46 -12.372 -0.503 0.663 379 HD2 LYS 46 HD2 LYS 46 -12.486 2.191 0.475 380 HD3 LYS 46 HD1 LYS 46 -11.661 1.787 -1.033 381 HE2 LYS 46 HE2 LYS 46 -14.352 0.849 -0.073 382 HE3 LYS 46 HE1 LYS 46 -13.978 1.777 -1.523 383 HZ1 LYS 46 HZ1 LYS 46 -13.239 -1.054 -1.011 384 HZ2 LYS 46 HZ2 LYS 46 -12.791 -0.177 -2.385 385 HZ3 LYS 46 HZ3 LYS 46 -14.425 -0.512 -2.086 386 HA PRO 47 HA PRO 47 -9.065 -3.324 4.334 387 HB2 PRO 47 HB2 PRO 47 -7.078 -2.769 2.182 388 HB3 PRO 47 HB1 PRO 47 -7.642 -4.323 2.830 389 HG2 PRO 47 HG2 PRO 47 -8.504 -3.473 0.486 390 HG3 PRO 47 HG1 PRO 47 -9.609 -4.278 1.617 391 HD2 PRO 47 HD2 PRO 47 -9.372 -1.379 0.961 392 HD3 PRO 47 HD1 PRO 47 -10.819 -2.330 1.312 393 H THR 48 HN THR 48 -7.088 -3.374 5.468 394 HA THR 48 HA THR 48 -6.522 -0.842 6.655 395 HB THR 48 HB THR 48 -5.330 -2.077 8.303 396 HG1 THR 48 HG1 THR 48 -4.838 -4.308 7.961 397 HG21 THR 48 HG21 THR 48 -7.020 -3.480 9.070 398 HG22 THR 48 HG22 THR 48 -7.450 -3.983 7.428 399 HG23 THR 48 HG23 THR 48 -7.872 -2.364 7.996 400 H LYS 49 HN LYS 49 -4.053 -0.897 7.486 401 HA LYS 49 HA LYS 49 -2.589 0.257 5.451 402 HB2 LYS 49 HB2 LYS 49 -0.617 -0.191 7.103 403 HB3 LYS 49 HB1 LYS 49 -1.891 0.948 7.500 404 HG2 LYS 49 HG2 LYS 49 -2.768 -1.514 8.477 405 HG3 LYS 49 HG1 LYS 49 -1.056 -1.408 8.902 406 HD2 LYS 49 HD2 LYS 49 -2.102 -0.335 10.684 407 HD3 LYS 49 HD1 LYS 49 -1.626 0.999 9.628 408 HE2 LYS 49 HE2 LYS 49 -3.912 0.905 8.630 409 HE3 LYS 49 HE1 LYS 49 -4.351 -0.240 9.897 410 HZ1 LYS 49 HZ1 LYS 49 -4.812 2.280 10.206 411 HZ2 LYS 49 HZ2 LYS 49 -3.170 2.351 10.635 412 HZ3 LYS 49 HZ3 LYS 49 -4.231 1.365 11.511 413 H TYR 50 HN TYR 50 -3.090 -3.065 5.813 414 HA TYR 50 HA TYR 50 -0.471 -3.791 4.841 415 HB2 TYR 50 HB2 TYR 50 -3.025 -5.307 5.187 416 HB3 TYR 50 HB1 TYR 50 -1.602 -6.024 4.461 417 HD1 TYR 50 HD1 TYR 50 0.521 -6.096 5.867 418 HD2 TYR 50 HD2 TYR 50 -3.325 -5.304 7.490 419 HE1 TYR 50 HE1 TYR 50 1.305 -6.875 8.054 420 HE2 TYR 50 HE2 TYR 50 -2.550 -6.068 9.707 421 HH TYR 50 HH TYR 50 -0.404 -7.960 10.282 422 H SER 51 HN SER 51 -3.605 -2.966 3.535 423 HA SER 51 HA SER 51 -3.065 -4.039 0.932 424 HB2 SER 51 HB2 SER 51 -5.045 -2.555 0.261 425 HB3 SER 51 HB1 SER 51 -5.354 -3.877 1.388 426 HG SER 51 HG SER 51 -5.446 -2.439 3.043 427 H SER 52 HN SER 52 -3.294 -2.387 -0.985 428 HA SER 52 HA SER 52 -1.241 -0.375 -0.472 429 HB2 SER 52 HB2 SER 52 -1.041 -0.762 -3.113 430 HB3 SER 52 HB1 SER 52 -0.161 -1.707 -1.913 431 HG SER 52 HG SER 52 -1.142 -3.399 -2.799 432 H ILE 53 HN ILE 53 -1.359 1.651 -1.340 433 HA ILE 53 HA ILE 53 -4.040 2.538 -2.205 434 HB ILE 53 HB ILE 53 -1.914 4.023 -0.621 435 HG12 ILE 53 HG12 ILE 53 -3.859 4.092 1.085 436 HG13 ILE 53 HG11 ILE 53 -4.542 2.772 0.149 437 HG21 ILE 53 HG21 ILE 53 -3.005 5.638 -1.980 438 HG22 ILE 53 HG22 ILE 53 -3.659 5.781 -0.340 439 HG23 ILE 53 HG23 ILE 53 -4.596 4.969 -1.593 440 HD11 ILE 53 HD11 ILE 53 -2.089 2.818 1.847 441 HD12 ILE 53 HD12 ILE 53 -2.219 1.661 0.521 442 HD13 ILE 53 HD13 ILE 53 -3.418 1.656 1.815 443 H CYS 54 HN CYS 54 -3.901 4.641 -3.630 444 HA CYS 54 HA CYS 54 -1.600 4.327 -5.403 445 HB2 CYS 54 HB2 CYS 54 -2.960 4.828 -7.288 446 HB3 CYS 54 HB1 CYS 54 -3.750 3.571 -6.368 447 H SER 55 HN SER 55 -0.969 6.165 -6.668 448 HA SER 55 HA SER 55 0.024 8.211 -5.153 449 HB2 SER 55 HB2 SER 55 0.526 9.296 -7.379 450 HB3 SER 55 HB1 SER 55 1.059 7.626 -7.189 451 HG SER 55 HG SER 55 -0.554 8.643 -9.034 452 H GLU 56 HN GLU 56 -2.612 8.700 -7.483 453 HA GLU 56 HA GLU 56 -3.069 11.345 -7.371 454 HB2 GLU 56 HB2 GLU 56 -5.593 10.597 -7.534 455 HB3 GLU 56 HB1 GLU 56 -4.448 10.253 -8.826 456 HG2 GLU 56 HG2 GLU 56 -4.520 8.042 -8.475 457 HG3 GLU 56 HG1 GLU 56 -4.554 8.219 -6.735 458 H HIS 57 HN HIS 57 -3.532 9.304 -4.643 459 HA HIS 57 HA HIS 57 -5.515 10.990 -3.399 460 HB2 HIS 57 HB2 HIS 57 -3.973 8.615 -2.382 461 HB3 HIS 57 HB1 HIS 57 -5.200 9.468 -1.447 462 HD1 HIS 57 HD1 HIS 57 -7.537 9.765 -3.162 463 HD2 HIS 57 HD2 HIS 57 -5.036 6.465 -3.521 464 HE1 HIS 57 HE1 HIS 57 -8.893 7.977 -4.328 465 H PHE 58 HN PHE 58 -2.072 11.026 -3.505 466 HA PHE 58 HA PHE 58 -2.143 13.008 -1.329 467 HB2 PHE 58 HB2 PHE 58 0.489 11.913 -1.418 468 HB3 PHE 58 HB1 PHE 58 -0.672 11.862 -0.085 469 HD1 PHE 58 HD1 PHE 58 0.674 10.123 -2.973 470 HD2 PHE 58 HD2 PHE 58 -1.878 9.832 0.410 471 HE1 PHE 58 HE1 PHE 58 0.593 7.700 -3.259 472 HE2 PHE 58 HE2 PHE 58 -1.968 7.389 0.137 473 HZ PHE 58 HZ PHE 58 -0.731 6.320 -1.704 474 H THR 59 HN THR 59 -0.124 14.346 -1.360 475 HA THR 59 HA THR 59 0.205 15.449 -3.987 476 HB THR 59 HB THR 59 1.924 16.879 -2.597 477 HG1 THR 59 HG1 THR 59 1.369 16.904 -0.380 478 HG21 THR 59 HG21 THR 59 -1.071 16.920 -2.430 479 HG22 THR 59 HG22 THR 59 -0.005 17.891 -3.452 480 HG23 THR 59 HG23 THR 59 -0.081 18.196 -1.716 481 HA PRO 60 HA PRO 60 3.703 13.246 -5.465 482 HB2 PRO 60 HB2 PRO 60 5.170 15.556 -6.200 483 HB3 PRO 60 HB1 PRO 60 4.038 14.667 -7.227 484 HG2 PRO 60 HG2 PRO 60 3.563 17.111 -5.599 485 HG3 PRO 60 HG1 PRO 60 2.946 16.688 -7.210 486 HD2 PRO 60 HD2 PRO 60 1.363 16.497 -5.118 487 HD3 PRO 60 HD1 PRO 60 1.374 15.198 -6.330 488 H ASP 61 HN ASP 61 4.143 16.056 -3.425 489 HA ASP 61 HA ASP 61 6.829 15.595 -2.666 490 HB2 ASP 61 HB2 ASP 61 4.710 16.792 -0.890 491 HB3 ASP 61 HB1 ASP 61 6.442 17.103 -0.851 492 H SER 62 HN SER 62 3.771 14.483 -1.349 493 HA SER 62 HA SER 62 5.112 13.042 0.790 494 HB2 SER 62 HB2 SER 62 2.761 14.344 0.774 495 HB3 SER 62 HB1 SER 62 2.205 12.710 0.403 496 HG SER 62 HG SER 62 2.705 12.086 2.356 497 H PHE 63 HN PHE 63 4.552 12.460 -2.341 498 HA PHE 63 HA PHE 63 3.213 10.208 -2.789 499 HB2 PHE 63 HB2 PHE 63 5.714 11.215 -3.946 500 HB3 PHE 63 HB1 PHE 63 5.382 9.512 -4.199 501 HD1 PHE 63 HD2 PHE 63 2.232 10.148 -4.169 502 HD2 PHE 63 HD1 PHE 63 5.596 11.534 -6.370 503 HE1 PHE 63 HE2 PHE 63 0.764 10.701 -6.029 504 HE2 PHE 63 HE1 PHE 63 4.122 12.086 -8.257 505 HZ PHE 63 HZ PHE 63 1.699 11.677 -8.092 506 H LYS 64 HN LYS 64 6.622 9.975 -1.657 507 HA LYS 64 HA LYS 64 6.116 7.826 0.083 508 HB2 LYS 64 HB2 LYS 64 7.300 6.012 -1.242 509 HB3 LYS 64 HB1 LYS 64 5.665 6.411 -1.735 510 HG2 LYS 64 HG2 LYS 64 6.484 7.691 -3.603 511 HG3 LYS 64 HG1 LYS 64 8.150 7.453 -3.077 512 HD2 LYS 64 HD2 LYS 64 8.126 5.189 -3.629 513 HD3 LYS 64 HD1 LYS 64 6.362 5.122 -3.651 514 HE2 LYS 64 HE2 LYS 64 6.281 6.418 -5.670 515 HE3 LYS 64 HE1 LYS 64 8.020 6.699 -5.611 516 HZ1 LYS 64 HZ1 LYS 64 8.464 4.471 -6.115 517 HZ2 LYS 64 HZ2 LYS 64 7.214 4.912 -7.171 518 HZ3 LYS 64 HZ3 LYS 64 6.873 3.978 -5.806 519 H ARG 65 HN ARG 65 8.801 6.615 -1.138 520 HA ARG 65 HA ARG 65 10.513 7.775 0.768 521 HB2 ARG 65 HB2 ARG 65 12.323 6.547 -0.620 522 HB3 ARG 65 HB1 ARG 65 11.101 5.603 0.213 523 HG2 ARG 65 HG2 ARG 65 9.865 5.790 -2.110 524 HG3 ARG 65 HG1 ARG 65 11.510 6.046 -2.691 525 HD2 ARG 65 HD2 ARG 65 10.990 3.785 -0.826 526 HD3 ARG 65 HD1 ARG 65 10.473 3.628 -2.503 527 HE ARG 65 HE ARG 65 13.029 4.434 -2.768 528 HH11 ARG 65 HH11 ARG 65 11.579 1.908 -0.835 529 HH12 ARG 65 HH12 ARG 65 12.959 0.863 -0.919 530 HH21 ARG 65 HH21 ARG 65 14.855 3.058 -2.910 531 HH22 ARG 65 HH22 ARG 65 14.835 1.516 -2.119 532 H GLU 66 HN GLU 66 9.553 8.939 -2.233 533 HA GLU 66 HA GLU 66 11.968 10.434 -2.763 534 HB2 GLU 66 HB2 GLU 66 9.377 10.007 -4.194 535 HB3 GLU 66 HB1 GLU 66 10.255 11.496 -4.518 536 HG2 GLU 66 HG2 GLU 66 10.890 9.912 -6.150 537 HG3 GLU 66 HG1 GLU 66 12.252 10.108 -5.047 538 H SER 67 HN SER 67 9.782 10.693 -0.460 539 HA SER 67 HA SER 67 8.884 13.381 -0.641 540 HB2 SER 67 HB2 SER 67 7.569 12.023 0.703 541 HB3 SER 67 HB1 SER 67 8.940 11.257 1.485 542 HG SER 67 HG SER 67 8.336 12.595 3.018 543 H ASN 68 HN ASN 68 10.445 12.628 2.321 544 HA ASN 68 HA ASN 68 12.315 14.834 1.892 545 HB2 ASN 68 HB2 ASN 68 10.832 13.785 4.210 546 HB3 ASN 68 HB1 ASN 68 12.496 14.239 4.559 547 HD21 ASN 68 HD21 ASN 68 13.149 16.400 4.157 548 HD22 ASN 68 HD22 ASN 68 11.987 17.682 4.149 549 H ASN 69 HN ASN 69 12.446 11.930 3.934 550 HA ASN 69 HA ASN 69 15.247 11.619 3.109 551 HB2 ASN 69 HB2 ASN 69 14.977 11.943 5.499 552 HB3 ASN 69 HB1 ASN 69 13.814 10.626 5.581 553 HD21 ASN 69 HD21 ASN 69 14.558 8.703 6.142 554 HD22 ASN 69 HD22 ASN 69 16.211 8.199 6.075 555 H LYS 70 HN LYS 70 12.769 9.337 4.324 556 HA LYS 70 HA LYS 70 13.235 7.734 1.922 557 HB2 LYS 70 HB2 LYS 70 14.613 7.124 4.125 558 HB3 LYS 70 HB1 LYS 70 13.130 6.271 4.509 559 HG2 LYS 70 HG2 LYS 70 14.789 4.817 3.449 560 HG3 LYS 70 HG1 LYS 70 13.316 4.951 2.487 561 HD2 LYS 70 HD2 LYS 70 15.253 5.058 1.040 562 HD3 LYS 70 HD1 LYS 70 14.445 6.620 1.050 563 HE2 LYS 70 HE2 LYS 70 16.111 7.411 2.716 564 HE3 LYS 70 HE1 LYS 70 16.940 5.863 2.568 565 HZ1 LYS 70 HZ1 LYS 70 16.449 7.650 0.251 566 HZ2 LYS 70 HZ2 LYS 70 17.489 6.317 0.329 567 HZ3 LYS 70 HZ3 LYS 70 17.857 7.727 1.185 568 H LEU 71 HN LEU 71 11.013 9.186 3.837 569 HA LEU 71 HA LEU 71 8.915 7.475 2.795 570 HB2 LEU 71 HB2 LEU 71 9.756 7.172 5.425 571 HB3 LEU 71 HB1 LEU 71 8.339 8.191 5.553 572 HG LEU 71 HG LEU 71 8.481 5.360 5.212 573 HD11 LEU 71 HD11 LEU 71 6.077 5.533 5.648 574 HD12 LEU 71 HD12 LEU 71 6.167 7.276 5.401 575 HD13 LEU 71 HD13 LEU 71 7.024 6.532 6.750 576 HD21 LEU 71 HD21 LEU 71 8.380 5.605 2.839 577 HD22 LEU 71 HD22 LEU 71 7.108 6.823 2.959 578 HD23 LEU 71 HD23 LEU 71 6.771 5.148 3.399 579 H LEU 72 HN LEU 72 6.698 8.458 3.415 580 HA LEU 72 HA LEU 72 6.521 11.015 2.293 581 HB2 LEU 72 HB2 LEU 72 4.298 10.409 4.068 582 HB3 LEU 72 HB1 LEU 72 4.300 10.701 2.339 583 HG LEU 72 HG LEU 72 5.331 8.158 2.478 584 HD11 LEU 72 HD11 LEU 72 4.371 6.916 4.119 585 HD12 LEU 72 HD12 LEU 72 3.011 8.023 4.313 586 HD13 LEU 72 HD13 LEU 72 4.587 8.433 4.994 587 HD21 LEU 72 HD21 LEU 72 3.521 9.108 1.009 588 HD22 LEU 72 HD22 LEU 72 2.394 8.785 2.325 589 HD23 LEU 72 HD23 LEU 72 3.260 7.452 1.561 590 H LYS 73 HN LYS 73 5.412 12.898 3.333 591 HA LYS 73 HA LYS 73 6.893 13.676 5.655 592 HB2 LYS 73 HB2 LYS 73 4.916 15.600 5.366 593 HB3 LYS 73 HB1 LYS 73 6.544 15.694 4.735 594 HG2 LYS 73 HG2 LYS 73 4.318 14.446 3.171 595 HG3 LYS 73 HG1 LYS 73 4.592 16.185 3.164 596 HD2 LYS 73 HD2 LYS 73 6.524 14.044 2.291 597 HD3 LYS 73 HD1 LYS 73 5.662 15.169 1.246 598 HE2 LYS 73 HE2 LYS 73 7.782 15.851 3.280 599 HE3 LYS 73 HE1 LYS 73 7.956 15.868 1.525 600 HZ1 LYS 73 HZ1 LYS 73 6.146 17.587 1.520 601 HZ2 LYS 73 HZ2 LYS 73 7.613 18.086 2.191 602 HZ3 LYS 73 HZ3 LYS 73 6.319 17.684 3.198 603 H GLU 74 HN GLU 74 6.375 13.274 7.592 604 HA GLU 74 HA GLU 74 4.261 11.835 8.565 605 HB2 GLU 74 HB2 GLU 74 4.953 12.473 10.753 606 HB3 GLU 74 HB1 GLU 74 6.395 12.352 9.757 607 HG2 GLU 74 HG2 GLU 74 5.011 14.964 10.215 608 HG3 GLU 74 HG1 GLU 74 6.195 14.330 11.358 609 H ASN 75 HN ASN 75 4.270 15.143 7.720 610 HA ASN 75 HA ASN 75 1.803 15.645 9.219 611 HB2 ASN 75 HB2 ASN 75 4.043 17.281 8.376 612 HB3 ASN 75 HB1 ASN 75 2.500 17.996 7.925 613 HD21 ASN 75 HD21 ASN 75 2.802 15.902 10.654 614 HD22 ASN 75 HD22 ASN 75 2.585 17.115 11.864 615 H ALA 76 HN ALA 76 2.273 14.200 6.513 616 HA ALA 76 HA ALA 76 0.141 15.670 5.100 617 HB1 ALA 76 HB1 ALA 76 2.110 13.992 3.591 618 HB2 ALA 76 HB2 ALA 76 2.522 15.637 4.066 619 HB3 ALA 76 HB3 ALA 76 1.125 15.344 3.031 620 H VAL 77 HN VAL 77 -1.643 14.639 4.721 621 HA VAL 77 HA VAL 77 -1.649 11.709 4.589 622 HB VAL 77 HB VAL 77 -2.455 12.013 6.765 623 HG11 VAL 77 HG11 VAL 77 -3.856 13.710 7.579 624 HG12 VAL 77 HG12 VAL 77 -4.310 14.224 5.948 625 HG13 VAL 77 HG13 VAL 77 -2.672 14.510 6.539 626 HG21 VAL 77 HG21 VAL 77 -4.883 11.967 4.983 627 HG22 VAL 77 HG22 VAL 77 -4.901 11.590 6.709 628 HG23 VAL 77 HG23 VAL 77 -3.980 10.583 5.592 629 HA PRO 78 HA PRO 78 -3.651 12.185 0.679 630 HB2 PRO 78 HB2 PRO 78 -5.428 10.024 1.024 631 HB3 PRO 78 HB1 PRO 78 -3.808 9.943 0.309 632 HG2 PRO 78 HG2 PRO 78 -4.693 9.309 3.058 633 HG3 PRO 78 HG1 PRO 78 -3.425 8.560 2.066 634 HD2 PRO 78 HD2 PRO 78 -2.796 10.198 4.061 635 HD3 PRO 78 HD1 PRO 78 -1.883 10.233 2.541 636 H THR 79 HN THR 79 -4.807 14.034 0.788 637 HA THR 79 HA THR 79 -7.469 14.001 2.015 638 HB THR 79 HB THR 79 -5.959 15.865 2.567 639 HG1 THR 79 HG1 THR 79 -8.431 16.224 1.350 640 HG21 THR 79 HG21 THR 79 -6.173 16.650 -0.331 641 HG22 THR 79 HG22 THR 79 -4.740 15.953 0.424 642 HG23 THR 79 HG23 THR 79 -5.326 17.534 0.940 643 H ILE 80 HN ILE 80 -5.909 13.723 -0.948 644 HA ILE 80 HA ILE 80 -7.920 14.864 -2.643 645 HB ILE 80 HB ILE 80 -5.960 12.865 -3.678 646 HG12 ILE 80 HG12 ILE 80 -4.994 14.683 -1.930 647 HG13 ILE 80 HG11 ILE 80 -4.086 14.103 -3.322 648 HG21 ILE 80 HG21 ILE 80 -5.840 14.636 -5.497 649 HG22 ILE 80 HG22 ILE 80 -7.204 15.408 -4.687 650 HG23 ILE 80 HG23 ILE 80 -7.365 13.770 -5.322 651 HD11 ILE 80 HD11 ILE 80 -5.546 16.706 -3.010 652 HD12 ILE 80 HD12 ILE 80 -4.988 16.106 -4.572 653 HD13 ILE 80 HD13 ILE 80 -3.825 16.434 -3.288 654 H PHE 81 HN PHE 81 -8.187 12.322 -0.728 655 HA PHE 81 HA PHE 81 -8.880 10.051 -2.063 656 HB2 PHE 81 HB2 PHE 81 -9.919 11.317 0.428 657 HB3 PHE 81 HB1 PHE 81 -10.769 9.926 -0.217 658 HD1 PHE 81 HD2 PHE 81 -7.489 9.389 -1.154 659 HD2 PHE 81 HD1 PHE 81 -9.957 9.420 2.309 660 HE1 PHE 81 HE2 PHE 81 -5.933 7.864 -0.034 661 HE2 PHE 81 HE1 PHE 81 -8.395 7.893 3.432 662 HZ PHE 81 HZ PHE 81 -6.376 7.114 2.260 663 H LEU 82 HN LEU 82 -11.246 12.599 -1.245 664 HA LEU 82 HA LEU 82 -12.613 12.366 -3.730 665 HB2 LEU 82 HB2 LEU 82 -13.286 10.481 -1.729 666 HB3 LEU 82 HB1 LEU 82 -14.599 11.627 -1.788 667 HG LEU 82 HG LEU 82 -14.317 9.371 -3.360 668 HD11 LEU 82 HD11 LEU 82 -16.397 10.461 -2.793 669 HD12 LEU 82 HD12 LEU 82 -16.283 10.223 -4.535 670 HD13 LEU 82 HD13 LEU 82 -16.003 11.817 -3.843 671 HD21 LEU 82 HD21 LEU 82 -13.889 11.731 -5.180 672 HD22 LEU 82 HD22 LEU 82 -13.993 10.027 -5.614 673 HD23 LEU 82 HD23 LEU 82 -12.604 10.621 -4.708 674 H GLU 83 HN GLU 83 -14.495 13.754 -3.805 675 HA GLU 83 HA GLU 83 -14.168 16.186 -2.434 676 HB2 GLU 83 HB2 GLU 83 -15.145 16.064 -4.673 677 HB3 GLU 83 HB1 GLU 83 -16.505 15.144 -4.046 678 HG2 GLU 83 HG2 GLU 83 -17.135 17.448 -4.439 679 HG3 GLU 83 HG1 GLU 83 -17.203 17.070 -2.721 680 H LEU 84 HN LEU 84 -17.115 14.191 -2.423 681 HA LEU 84 HA LEU 84 -17.228 14.307 0.478 682 HB2 LEU 84 HB2 LEU 84 -18.443 16.316 -0.818 683 HB3 LEU 84 HB1 LEU 84 -19.726 15.126 -0.903 684 HG LEU 84 HG LEU 84 -19.961 16.689 1.002 685 HD11 LEU 84 HD11 LEU 84 -20.425 15.020 2.706 686 HD12 LEU 84 HD12 LEU 84 -19.473 13.831 1.815 687 HD13 LEU 84 HD13 LEU 84 -20.961 14.470 1.119 688 HD21 LEU 84 HD21 LEU 84 -18.474 16.631 2.865 689 HD22 LEU 84 HD22 LEU 84 -17.518 16.946 1.416 690 HD23 LEU 84 HD23 LEU 84 -17.525 15.336 2.135 691 H VAL 85 HN VAL 85 -19.544 13.631 -2.149 692 HA VAL 85 HA VAL 85 -19.445 10.810 -1.530 693 HB VAL 85 HB VAL 85 -21.093 11.427 0.050 694 HG11 VAL 85 HG11 VAL 85 -22.619 12.887 -2.101 695 HG12 VAL 85 HG12 VAL 85 -21.570 13.677 -0.929 696 HG13 VAL 85 HG13 VAL 85 -23.006 12.811 -0.382 697 HG21 VAL 85 HG21 VAL 85 -23.168 10.373 -0.850 698 HG22 VAL 85 HG22 VAL 85 -21.696 9.431 -1.095 699 HG23 VAL 85 HG23 VAL 85 -22.394 10.342 -2.434 700 HA PRO 86 HA PRO 86 -19.956 10.785 -5.948 701 HB2 PRO 86 HB2 PRO 86 -20.410 7.908 -5.692 702 HB3 PRO 86 HB1 PRO 86 -19.042 8.758 -6.432 703 HG2 PRO 86 HG2 PRO 86 -18.856 7.351 -4.123 704 HG3 PRO 86 HG1 PRO 86 -17.811 8.721 -4.536 705 HD2 PRO 86 HD2 PRO 86 -20.113 8.616 -2.656 706 HD3 PRO 86 HD1 PRO 86 -18.622 9.569 -2.575 707 H ARG 87 HN ARG 87 -21.638 10.278 -7.493 708 HA ARG 87 HA ARG 87 -24.242 9.832 -6.199 709 HB2 ARG 87 HB2 ARG 87 -24.982 11.026 -8.488 710 HB3 ARG 87 HB1 ARG 87 -24.631 11.913 -7.013 711 HG2 ARG 87 HG2 ARG 87 -23.353 13.124 -8.429 712 HG3 ARG 87 HG1 ARG 87 -22.173 11.862 -8.067 713 HD2 ARG 87 HD2 ARG 87 -22.136 12.042 -10.394 714 HD3 ARG 87 HD1 ARG 87 -23.143 10.631 -10.084 715 HE ARG 87 HE ARG 87 -24.108 13.283 -10.922 716 HH11 ARG 87 HH11 ARG 87 -24.683 9.858 -10.416 717 HH12 ARG 87 HH12 ARG 87 -26.143 9.848 -11.367 718 HH21 ARG 87 HH21 ARG 87 -26.031 13.260 -12.146 719 HH22 ARG 87 HH22 ARG 87 -26.913 11.777 -12.340 720 H5' DG 1 H5' G 1 31.660 1.150 -7.930 721 H5'' DG 1 H5'' G 1 30.829 0.601 -9.398 722 H4' DG 1 H4' G 1 31.555 -1.336 -8.272 723 H3' DG 1 H3' G 1 28.993 -1.246 -8.944 724 H2' DG 1 H2' G 1 28.108 -0.193 -6.983 725 H2'' DG 1 H2'' G 1 27.874 -1.886 -6.577 726 H1' DG 1 H1' G 1 29.784 -1.961 -5.166 727 H8 DG 1 H8 G 1 28.845 1.697 -6.004 728 H1 DG 1 H1 G 1 29.509 0.323 0.228 729 H21 DG 1 H21 G 1 30.364 -2.856 -0.887 730 H22 DG 1 H22 G 1 30.108 -1.804 0.479 731 HO5' DG 1 H5T G 1 29.854 2.266 -7.786 732 H5' DC 2 H5' C 2 30.149 -4.708 -6.081 733 H5'' DC 2 H5'' C 2 29.743 -6.154 -7.026 734 H4' DC 2 H4' C 2 29.692 -6.833 -4.784 735 H3' DC 2 H3' C 2 27.490 -7.315 -6.178 736 H2' DC 2 H2' C 2 26.305 -5.271 -5.774 737 H2'' DC 2 H2'' C 2 25.648 -6.287 -4.497 738 H1' DC 2 H1' C 2 27.041 -5.348 -2.828 739 H41 DC 2 H41 C 2 25.742 0.882 -4.686 740 H42 DC 2 H42 C 2 25.876 0.855 -2.949 741 H5 DC 2 H5 C 2 26.116 -1.117 -6.055 742 H6 DC 2 H6 C 2 26.768 -3.468 -6.005 743 H5' DT 3 H5' T 3 27.335 -8.007 -1.623 744 H5'' DT 3 H5'' T 3 26.978 -9.739 -1.502 745 H4' DT 3 H4' T 3 26.343 -8.867 0.558 746 H3' DT 3 H3' T 3 24.407 -10.144 -0.726 747 H2' DT 3 H2' T 3 23.478 -8.320 -1.974 748 H2'' DT 3 H2'' T 3 22.443 -8.301 -0.550 749 H1' DT 3 H1' T 3 23.603 -6.513 0.457 750 H3 DT 3 H3 T 3 23.512 -2.599 -1.678 751 H71 DT 3 H71 T 3 23.852 -6.533 -5.369 752 H72 DT 3 H72 T 3 22.704 -5.191 -5.597 753 H73 DT 3 H73 T 3 24.453 -4.908 -5.778 754 H6 DT 3 H6 T 3 24.110 -7.105 -3.134 755 H5' DT 4 H5' T 4 23.450 -7.745 3.028 756 H5'' DT 4 H5'' T 4 22.893 -9.017 4.130 757 H4' DT 4 H4' T 4 22.143 -7.045 5.095 758 H3' DT 4 H3' T 4 20.207 -8.775 4.586 759 H2' DT 4 H2' T 4 19.639 -8.099 2.356 760 H2'' DT 4 H2'' T 4 18.474 -7.166 3.286 761 H1' DT 4 H1' T 4 19.735 -5.176 3.147 762 H3 DT 4 H3 T 4 20.302 -3.431 -0.894 763 H71 DT 4 H71 T 4 21.440 -7.577 -2.709 764 H72 DT 4 H72 T 4 19.803 -8.126 -2.280 765 H73 DT 4 H73 T 4 21.206 -8.719 -1.362 766 H6 DT 4 H6 T 4 20.638 -7.877 0.803 767 H5' DG 5 H5' G 5 19.180 -4.477 6.159 768 H5'' DG 5 H5'' G 5 18.266 -4.872 7.628 769 H4' DG 5 H4' G 5 17.678 -2.672 7.099 770 H3' DG 5 H3' G 5 15.638 -4.344 7.343 771 H2' DG 5 H2' G 5 15.489 -5.123 5.079 772 H2'' DG 5 H2'' G 5 14.327 -3.804 5.047 773 H1' DG 5 H1' G 5 15.830 -2.305 4.000 774 H8 DG 5 H8 G 5 17.065 -5.968 3.761 775 H1 DG 5 H1 G 5 16.982 -2.645 -1.723 776 H21 DG 5 H21 G 5 16.049 0.032 0.287 777 H22 DG 5 H22 G 5 16.418 -0.536 -1.329 778 H5' DT 6 H5' T 6 14.582 -0.124 5.591 779 H5'' DT 6 H5'' T 6 13.470 0.488 6.833 780 H4' DT 6 H4' T 6 12.929 1.693 4.918 781 H3' DT 6 H3' T 6 10.904 0.366 5.985 782 H2' DT 6 H2' T 6 11.140 -1.716 4.824 783 H2'' DT 6 H2'' T 6 9.958 -0.903 3.817 784 H1' DT 6 H1' T 6 11.583 -0.271 2.194 785 H3 DT 6 H3 T 6 13.736 -3.555 0.043 786 H71 DT 6 H71 T 6 13.178 -5.097 5.168 787 H72 DT 6 H72 T 6 12.292 -6.090 3.986 788 H73 DT 6 H73 T 6 14.073 -6.060 3.967 789 H6 DT 6 H6 T 6 12.382 -2.934 4.572 790 H5' DG 7 H5' G 7 10.466 2.665 1.999 791 H5'' DG 7 H5'' G 7 9.042 3.691 2.238 792 H4' DG 7 H4' G 7 9.306 3.569 -0.074 793 H3' DG 7 H3' G 7 6.930 2.794 0.804 794 H2' DG 7 H2' G 7 7.379 0.467 1.158 795 H2'' DG 7 H2'' G 7 6.708 0.432 -0.466 796 H1' DG 7 H1' G 7 8.843 0.273 -1.500 797 H8 DG 7 H8 G 7 9.275 -0.353 2.296 798 H1 DG 7 H1 G 7 11.063 -5.126 -1.597 799 H21 DG 7 H21 G 7 10.278 -2.917 -4.143 800 H22 DG 7 H22 G 7 10.879 -4.500 -3.712 801 H5' DT 8 H5' T 8 7.890 1.406 -3.516 802 H5'' DT 8 H5'' T 8 6.731 2.428 -4.389 803 H4' DT 8 H4' T 8 7.129 0.678 -5.861 804 H3' DT 8 H3' T 8 4.587 0.947 -5.149 805 H2' DT 8 H2' T 8 4.573 -0.472 -3.214 806 H2'' DT 8 H2'' T 8 4.012 -1.585 -4.448 807 H1' DT 8 H1' T 8 6.152 -2.574 -4.722 808 H3 DT 8 H3 T 8 7.497 -5.000 -1.302 809 H71 DT 8 H71 T 8 5.546 -0.368 0.697 810 H72 DT 8 H72 T 8 5.253 -1.908 1.535 811 H73 DT 8 H73 T 8 6.876 -1.183 1.557 812 H6 DT 8 H6 T 8 5.775 -0.562 -1.619 813 H5' DG 9 H5' G 9 4.964 -3.905 -7.106 814 H5'' DG 9 H5'' G 9 4.225 -3.057 -8.479 815 H4' DG 9 H4' G 9 3.237 -5.130 -8.598 816 H3' DG 9 H3' G 9 1.486 -3.187 -8.148 817 H2' DG 9 H2' G 9 1.468 -3.182 -5.768 818 H2'' DG 9 H2'' G 9 0.121 -4.271 -6.088 819 H1' DG 9 H1' G 9 1.402 -6.217 -5.678 820 H8 DG 9 H8 G 9 2.142 -2.978 -3.973 821 H1 DG 9 H1 G 9 4.211 -8.122 -0.750 822 H21 DG 9 H21 G 9 3.784 -9.795 -3.734 823 H22 DG 9 H22 G 9 4.284 -9.871 -2.056 824 H5' DG 10 H5' G 10 0.457 -7.417 -8.027 825 H5'' DG 10 H5'' G 10 -0.644 -7.599 -9.402 826 H4' DG 10 H4' G 10 -0.838 -9.604 -8.271 827 H3' DG 10 H3' G 10 -3.134 -8.306 -8.529 828 H2' DG 10 H2' G 10 -3.084 -6.995 -6.503 829 H2'' DG 10 H2'' G 10 -4.008 -8.397 -5.968 830 H1' DG 10 H1' G 10 -2.165 -9.428 -4.957 831 H8 DG 10 H8 G 10 -1.817 -5.599 -5.343 832 H1 DG 10 H1 G 10 0.017 -8.201 0.233 833 H21 DG 10 H21 G 10 -0.235 -11.211 -1.458 834 H22 DG 10 H22 G 10 0.156 -10.406 0.036 835 H5' DG 11 H5' G 11 -2.809 -11.685 -5.263 836 H5'' DG 11 H5'' G 11 -3.316 -12.691 -6.637 837 H4' DG 11 H4' G 11 -3.609 -14.120 -4.853 838 H3' DG 11 H3' G 11 -5.854 -13.537 -6.136 839 H2' DG 11 H2' G 11 -6.557 -11.634 -4.893 840 H2'' DG 11 H2'' G 11 -7.426 -12.899 -4.031 841 H1' DG 11 H1' G 11 -5.848 -12.988 -2.263 842 H8 DG 11 H8 G 11 -5.938 -9.746 -4.328 843 H1 DG 11 H1 G 11 -4.971 -9.019 1.985 844 H21 DG 11 H21 G 11 -4.542 -12.440 2.001 845 H22 DG 11 H22 G 11 -4.546 -10.951 2.913 846 H5' DC 12 H5' C 12 -6.262 -16.065 -2.182 847 H5'' DC 12 H5'' C 12 -6.848 -17.535 -2.986 848 H4' DC 12 H4' C 12 -7.501 -17.785 -0.772 849 H3' DC 12 H3' C 12 -9.493 -17.865 -2.518 850 H2' DC 12 H2' C 12 -10.078 -15.559 -2.587 851 H2'' DC 12 H2'' C 12 -11.192 -16.122 -1.350 852 H1' DC 12 H1' C 12 -9.861 -15.291 0.429 853 H41 DC 12 H41 C 12 -9.088 -9.429 -2.589 854 H42 DC 12 H42 C 12 -9.036 -9.142 -0.877 855 H5 DC 12 H5 C 12 -9.151 -11.702 -3.524 856 H6 DC 12 H6 C 12 -9.254 -14.076 -2.987 857 H5' DA 13 H5' A 13 -10.381 -18.437 2.061 858 H5'' DA 13 H5'' A 13 -11.508 -19.805 2.117 859 H4' DA 13 H4' A 13 -11.716 -18.487 4.116 860 H3' DA 13 H3' A 13 -13.890 -19.337 2.867 861 H2' DA 13 H2' A 13 -14.208 -17.522 1.338 862 H2'' DA 13 H2'' A 13 -15.245 -17.014 2.663 863 H1' DA 13 H1' A 13 -13.643 -15.481 3.515 864 H8 DA 13 H8 A 13 -12.894 -16.521 -0.151 865 H61 DA 13 H61 A 13 -12.251 -11.998 -1.868 866 H62 DA 13 H62 A 13 -12.204 -10.427 -1.094 867 H2 DA 13 H2 A 13 -12.860 -11.113 3.289 868 H5' DG 14 H5' G 14 -14.643 -16.317 6.617 869 H5'' DG 14 H5'' G 14 -15.668 -17.439 7.533 870 H4' DG 14 H4' G 14 -16.230 -15.281 8.277 871 H3' DG 14 H3' G 14 -18.244 -16.788 7.449 872 H2' DG 14 H2' G 14 -18.261 -16.202 5.136 873 H2'' DG 14 H2'' G 14 -19.448 -15.071 5.764 874 H1' DG 14 H1' G 14 -17.912 -13.255 5.774 875 H8 DG 14 H8 G 14 -16.876 -16.271 3.637 876 H1 DG 14 H1 G 14 -16.090 -10.522 0.903 877 H21 DG 14 H21 G 14 -16.943 -9.281 4.022 878 H22 DG 14 H22 G 14 -16.495 -8.918 2.367 879 H5' DC 15 H5' C 15 -19.338 -12.334 8.950 880 H5'' DC 15 H5'' C 15 -20.848 -12.602 9.843 881 H4' DC 15 H4' C 15 -20.747 -10.330 9.051 882 H3' DC 15 H3' C 15 -22.969 -11.761 8.794 883 H2' DC 15 H2' C 15 -22.625 -12.728 6.681 884 H2'' DC 15 H2'' C 15 -23.500 -11.288 6.188 885 H1' DC 15 H1' C 15 -21.543 -10.145 5.521 886 H41 DC 15 H41 C 15 -19.655 -15.438 2.078 887 H42 DC 15 H42 C 15 -19.306 -14.032 1.110 888 H5 DC 15 H5 C 15 -20.444 -15.293 4.378 889 H6 DC 15 H6 C 15 -21.142 -13.764 6.148 890 H5' DG 16 H5' G 16 -24.683 -6.868 8.632 891 H5'' DG 16 H5'' G 16 -26.337 -7.170 8.086 892 H4' DG 16 H4' G 16 -25.332 -4.987 7.379 893 H3' DG 16 H3' G 16 -27.081 -6.404 5.964 894 H2' DG 16 H2' G 16 -25.805 -7.699 4.633 895 H2'' DG 16 H2'' G 16 -25.904 -6.306 3.562 896 H1' DG 16 H1' G 16 -23.714 -5.619 4.052 897 H8 DG 16 H8 G 16 -23.325 -8.603 6.389 898 H1 DG 16 H1 G 16 -22.538 -10.074 0.206 899 H21 DG 16 H21 G 16 -23.231 -6.751 -0.390 900 H22 DG 16 H22 G 16 -22.834 -8.317 -1.052 901 H5' DC 17 H5' C 17 -24.816 -12.992 -6.710 902 H5'' DC 17 H5'' C 17 -23.504 -13.693 -7.675 903 H4' DC 17 H4' C 17 -23.395 -11.248 -7.562 904 H3' DC 17 H3' C 17 -21.201 -12.734 -7.517 905 H2' DC 17 H2' C 17 -21.035 -13.155 -5.170 906 H2'' DC 17 H2'' C 17 -20.006 -11.740 -5.319 907 H1' DC 17 H1' C 17 -21.677 -10.266 -4.506 908 H41 DC 17 H41 C 17 -22.913 -14.374 0.496 909 H42 DC 17 H42 C 17 -22.986 -12.753 1.144 910 H5 DC 17 H5 C 17 -22.658 -14.855 -1.855 911 H6 DC 17 H6 C 17 -22.326 -13.870 -4.059 912 H5' DG 18 H5' G 18 -20.926 -8.305 -6.624 913 H5'' DG 18 H5'' G 18 -19.758 -7.604 -7.761 914 H4' DG 18 H4' G 18 -19.960 -6.099 -5.956 915 H3' DG 18 H3' G 18 -17.504 -6.823 -6.635 916 H2' DG 18 H2' G 18 -17.255 -8.759 -5.246 917 H2'' DG 18 H2'' G 18 -16.540 -7.526 -4.219 918 H1' DG 18 H1' G 18 -18.479 -7.311 -2.880 919 H8 DG 18 H8 G 18 -18.435 -10.531 -4.990 920 H1 DG 18 H1 G 18 -19.914 -11.259 1.210 921 H21 DG 18 H21 G 18 -19.882 -7.801 1.306 922 H22 DG 18 H22 G 18 -20.103 -9.286 2.196 923 H5' DC 19 H5' C 19 -18.124 -4.569 -2.781 924 H5'' DC 19 H5'' C 19 -17.308 -3.010 -3.017 925 H4' DC 19 H4' C 19 -17.549 -3.229 -0.705 926 H3' DC 19 H3' C 19 -15.065 -2.836 -1.531 927 H2' DC 19 H2' C 19 -14.390 -5.112 -1.865 928 H2'' DC 19 H2'' C 19 -13.821 -4.843 -0.224 929 H1' DC 19 H1' C 19 -15.666 -5.961 0.756 930 H41 DC 19 H41 C 19 -15.306 -11.101 -3.412 931 H42 DC 19 H42 C 19 -15.625 -11.729 -1.818 932 H5 DC 19 H5 C 19 -15.163 -8.705 -3.884 933 H6 DC 19 H6 C 19 -15.295 -6.473 -2.899 934 H5' DT 20 H5' T 20 -15.497 -3.934 3.056 935 H5'' DT 20 H5'' T 20 -14.855 -2.439 3.763 936 H4' DT 20 H4' T 20 -14.634 -4.129 5.395 937 H3' DT 20 H3' T 20 -12.463 -2.710 4.877 938 H2' DT 20 H2' T 20 -11.558 -4.023 3.079 939 H2'' DT 20 H2'' T 20 -10.693 -4.701 4.453 940 H1' DT 20 H1' T 20 -12.115 -6.599 4.588 941 H3 DT 20 H3 T 20 -12.378 -9.388 1.120 942 H71 DT 20 H71 T 20 -12.503 -5.709 -1.855 943 H72 DT 20 H72 T 20 -11.969 -4.359 -0.824 944 H73 DT 20 H73 T 20 -10.788 -5.554 -1.409 945 H6 DT 20 H6 T 20 -12.130 -4.636 1.489 946 H5' DG 21 H5' G 21 -11.538 -6.673 7.730 947 H5'' DG 21 H5'' G 21 -11.013 -5.652 9.086 948 H4' DG 21 H4' G 21 -9.856 -7.646 9.391 949 H3' DG 21 H3' G 21 -8.311 -5.513 9.150 950 H2' DG 21 H2' G 21 -8.003 -5.501 6.776 951 H2'' DG 21 H2'' G 21 -6.580 -6.401 7.280 952 H1' DG 21 H1' G 21 -7.537 -8.499 6.740 953 H8 DG 21 H8 G 21 -8.752 -5.362 5.034 954 H1 DG 21 H1 G 21 -9.058 -10.639 1.402 955 H21 DG 21 H21 G 21 -8.518 -12.343 4.376 956 H22 DG 21 H22 G 21 -8.801 -12.451 2.662 957 H5' DC 22 H5' C 22 -6.313 -9.544 8.946 958 H5'' DC 22 H5'' C 22 -5.281 -9.582 10.390 959 H4' DC 22 H4' C 22 -4.409 -11.239 9.011 960 H3' DC 22 H3' C 22 -2.681 -9.349 9.705 961 H2' DC 22 H2' C 22 -3.002 -7.817 7.906 962 H2'' DC 22 H2'' C 22 -1.660 -8.761 7.270 963 H1' DC 22 H1' C 22 -3.033 -10.073 5.882 964 H41 DC 22 H41 C 22 -5.750 -4.630 3.274 965 H42 DC 22 H42 C 22 -5.729 -5.909 2.092 966 H5 DC 22 H5 C 22 -5.230 -5.165 5.705 967 H6 DC 22 H6 C 22 -4.355 -6.901 7.188 968 H5' DC 23 H5' C 23 -1.306 -12.458 6.304 969 H5'' DC 23 H5'' C 23 -0.392 -13.202 7.628 970 H4' DC 23 H4' C 23 0.556 -14.164 5.776 971 H3' DC 23 H3' C 23 2.309 -12.738 7.157 972 H2' DC 23 H2' C 23 2.057 -10.617 6.082 973 H2'' DC 23 H2'' C 23 3.385 -11.285 5.146 974 H1' DC 23 H1' C 23 2.013 -11.921 3.346 975 H41 DC 23 H41 C 23 -0.707 -5.941 3.085 976 H42 DC 23 H42 C 23 -0.575 -6.514 1.458 977 H5 DC 23 H5 C 23 -0.199 -7.333 5.030 978 H6 DC 23 H6 C 23 0.525 -9.529 5.766 979 H5' DC 24 H5' C 24 3.491 -14.373 2.980 980 H5'' DC 24 H5'' C 24 4.652 -15.551 3.619 981 H4' DC 24 H4' C 24 5.153 -15.423 1.353 982 H3' DC 24 H3' C 24 7.166 -14.843 2.981 983 H2' DC 24 H2' C 24 6.853 -12.489 3.197 984 H2'' DC 24 H2'' C 24 8.003 -12.533 1.869 985 H1' DC 24 H1' C 24 6.332 -12.207 0.218 986 H41 DC 24 H41 C 24 3.924 -7.054 3.531 987 H42 DC 24 H42 C 24 3.696 -6.712 1.833 988 H5 DC 24 H5 C 24 4.706 -9.193 4.360 989 H6 DC 24 H6 C 24 5.502 -11.403 3.719 990 H5' DA 25 H5' A 25 7.727 -14.240 -1.589 991 H5'' DA 25 H5'' A 25 8.991 -15.459 -1.834 992 H4' DA 25 H4' A 25 9.085 -14.126 -3.736 993 H3' DA 25 H3' A 25 11.373 -14.282 -2.411 994 H2' DA 25 H2' A 25 11.100 -12.427 -0.918 995 H2'' DA 25 H2'' A 25 11.988 -11.671 -2.231 996 H1' DA 25 H1' A 25 10.047 -10.684 -3.166 997 H8 DA 25 H8 A 25 9.553 -11.830 0.504 998 H61 DA 25 H61 A 25 7.788 -7.603 2.143 999 H62 DA 25 H62 A 25 7.346 -6.102 1.368 1000 H2 DA 25 H2 A 25 8.092 -6.675 -3.022 1001 H5' DC 26 H5' C 26 10.762 -11.275 -5.699 1002 H5'' DC 26 H5'' C 26 11.867 -11.929 -6.923 1003 H4' DC 26 H4' C 26 11.373 -9.812 -7.707 1004 H3' DC 26 H3' C 26 13.959 -10.201 -7.299 1005 H2' DC 26 H2' C 26 14.120 -9.485 -5.022 1006 H2'' DC 26 H2'' C 26 14.536 -7.994 -5.854 1007 H1' DC 26 H1' C 26 12.374 -7.065 -5.578 1008 H41 DC 26 H41 C 26 12.153 -8.623 0.850 1009 H42 DC 26 H42 C 26 11.540 -6.998 0.658 1010 H5 DC 26 H5 C 26 12.811 -10.003 -1.057 1011 H6 DC 26 H6 C 26 12.975 -10.089 -3.493 1012 H5' DA 27 H5' A 27 12.572 -5.778 -8.734 1013 H5'' DA 27 H5'' A 27 13.654 -5.667 -10.138 1014 H4' DA 27 H4' A 27 13.075 -3.460 -9.504 1015 H3' DA 27 H3' A 27 15.649 -3.984 -9.844 1016 H2' DA 27 H2' A 27 16.212 -4.695 -7.632 1017 H2'' DA 27 H2'' A 27 16.631 -2.990 -7.538 1018 H1' DA 27 H1' A 27 14.629 -2.417 -6.389 1019 H8 DA 27 H8 A 27 15.408 -6.209 -6.335 1020 H61 DA 27 H61 A 27 14.778 -6.882 -1.574 1021 H62 DA 27 H62 A 27 14.255 -5.842 -0.261 1022 H2 DA 27 H2 A 27 13.395 -1.835 -2.090 1023 H5' DC 28 H5' C 28 14.455 0.052 -8.045 1024 H5'' DC 28 H5'' C 28 15.119 1.248 -9.176 1025 H4' DC 28 H4' C 28 14.797 2.414 -7.182 1026 H3' DC 28 H3' C 28 17.266 2.504 -8.135 1027 H2' DC 28 H2' C 28 18.181 0.574 -7.067 1028 H2'' DC 28 H2'' C 28 18.648 1.825 -5.930 1029 H1' DC 28 H1' C 28 16.881 1.307 -4.424 1030 H41 DC 28 H41 C 28 18.096 -5.182 -4.795 1031 H42 DC 28 H42 C 28 17.679 -4.836 -3.134 1032 H5 DC 28 H5 C 28 18.043 -3.514 -6.547 1033 H6 DC 28 H6 C 28 17.582 -1.175 -7.061 1034 H5' DA 29 H5' A 29 16.449 4.341 -3.930 1035 H5'' DA 29 H5'' A 29 17.016 6.011 -4.122 1036 H4' DA 29 H4' A 29 17.049 5.607 -1.819 1037 H3' DA 29 H3' A 29 19.345 6.438 -2.851 1038 H2' DA 29 H2' A 29 20.316 4.329 -3.419 1039 H2'' DA 29 H2'' A 29 21.015 4.590 -1.828 1040 H1' DA 29 H1' A 29 19.475 3.128 -0.759 1041 H8 DA 29 H8 A 29 19.557 2.659 -4.601 1042 H61 DA 29 H61 A 29 20.256 -2.141 -4.586 1043 H62 DA 29 H62 A 29 20.340 -3.359 -3.328 1044 H2 DA 29 H2 A 29 19.729 -1.154 0.552 1045 H5' DA 30 H5' A 30 19.244 4.997 1.499 1046 H5'' DA 30 H5'' A 30 19.716 6.456 2.391 1047 H4' DA 30 H4' A 30 20.081 4.709 3.881 1048 H3' DA 30 H3' A 30 22.226 6.193 3.421 1049 H2' DA 30 H2' A 30 23.132 5.013 1.540 1050 H2'' DA 30 H2'' A 30 24.015 4.256 2.857 1051 H1' DA 30 H1' A 30 22.627 2.327 2.870 1052 H8 DA 30 H8 A 30 22.069 4.378 -0.376 1053 H61 DA 30 H61 A 30 22.759 0.701 -3.500 1054 H62 DA 30 H62 A 30 23.094 -0.998 -3.298 1055 H2 DA 30 H2 A 30 23.277 -1.738 1.138 1056 H5' DG 31 H5' G 31 22.798 2.264 5.692 1057 H5'' DG 31 H5'' G 31 23.299 2.818 7.303 1058 H4' DG 31 H4' G 31 24.011 0.613 7.214 1059 H3' DG 31 H3' G 31 25.957 2.347 7.674 1060 H2' DG 31 H2' G 31 26.606 2.824 5.411 1061 H2'' DG 31 H2'' G 31 27.741 1.542 5.819 1062 H1' DG 31 H1' G 31 26.493 -0.124 4.691 1063 H8 DG 31 H8 G 31 25.522 3.462 3.636 1064 H1 DG 31 H1 G 31 26.356 -0.786 -1.101 1065 H21 DG 31 H21 G 31 26.821 -3.065 1.459 1066 H22 DG 31 H22 G 31 26.775 -2.787 -0.265 1067 H5' DC 32 H5' C 32 27.256 -1.903 6.592 1068 H5'' DC 32 H5'' C 32 27.976 -2.469 8.112 1069 H4' DC 32 H4' C 32 28.887 -3.873 6.509 1070 H3' DC 32 H3' C 32 30.691 -2.525 7.899 1071 HO3' DC 32 H3T C 32 31.647 -4.280 7.303 1072 H2' DC 32 H2' C 32 30.866 -0.568 6.524 1073 H2'' DC 32 H2'' C 32 32.186 -1.532 5.882 1074 H1' DC 32 H1' C 32 30.932 -2.261 4.004 1075 H41 DC 32 H41 C 32 28.752 3.797 2.531 1076 H42 DC 32 H42 C 32 28.869 2.922 1.022 1077 H5 DC 32 H5 C 32 29.199 2.786 4.691 1078 H6 DC 32 H6 C 32 29.785 0.709 5.832 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 -3.114 -5.305 -3.196 2 H2 MET 1 HT2 MET 1 -4.013 -6.135 -2.029 3 H3 MET 1 HT3 MET 1 -4.238 -4.472 -2.249 4 HA MET 1 HA MET 1 -4.849 -6.557 -4.261 5 HB2 MET 1 HB2 MET 1 -7.179 -6.123 -3.794 6 HB3 MET 1 HB1 MET 1 -6.380 -6.531 -2.284 7 HG2 MET 1 HG2 MET 1 -6.399 -4.298 -1.543 8 HG3 MET 1 HG1 MET 1 -6.837 -3.692 -3.140 9 HE1 MET 1 HE1 MET 1 -7.883 -5.981 -0.245 10 HE2 MET 1 HE2 MET 1 -8.609 -6.935 -1.540 11 HE3 MET 1 HE3 MET 1 -9.637 -6.087 -0.385 12 H VAL 2 HN VAL 2 -5.840 -5.737 -6.155 13 HA VAL 2 HA VAL 2 -5.290 -2.879 -6.616 14 HB VAL 2 HB VAL 2 -5.841 -4.324 -9.043 15 HG11 VAL 2 HG11 VAL 2 -3.461 -2.826 -7.983 16 HG12 VAL 2 HG12 VAL 2 -4.745 -2.213 -9.026 17 HG13 VAL 2 HG13 VAL 2 -3.605 -3.413 -9.641 18 HG21 VAL 2 HG21 VAL 2 -3.495 -5.372 -7.475 19 HG22 VAL 2 HG22 VAL 2 -3.908 -5.775 -9.140 20 HG23 VAL 2 HG23 VAL 2 -4.971 -6.270 -7.823 21 H GLN 3 HN GLN 3 -7.712 -4.534 -5.601 22 HA GLN 3 HA GLN 3 -9.762 -4.201 -7.521 23 HB2 GLN 3 HB2 GLN 3 -10.036 -4.460 -4.520 24 HB3 GLN 3 HB1 GLN 3 -11.288 -4.775 -5.718 25 HG2 GLN 3 HG2 GLN 3 -10.148 -6.686 -6.532 26 HG3 GLN 3 HG1 GLN 3 -8.694 -6.293 -5.621 27 HE21 GLN 3 HE21 GLN 3 -12.014 -6.174 -4.448 28 HE22 GLN 3 HE22 GLN 3 -11.830 -7.422 -3.267 29 H SER 4 HN SER 4 -8.646 -2.231 -4.796 30 HA SER 4 HA SER 4 -9.480 0.192 -5.947 31 HB2 SER 4 HB2 SER 4 -11.549 0.628 -5.007 32 HB3 SER 4 HB1 SER 4 -11.624 -1.107 -5.056 33 HG SER 4 HG SER 4 -10.405 -0.208 -2.799 34 H CYS 5 HN CYS 5 -8.905 2.012 -4.618 35 HA CYS 5 HA CYS 5 -6.766 1.469 -2.798 36 HB2 CYS 5 HB2 CYS 5 -7.804 4.221 -2.923 37 HB3 CYS 5 HB1 CYS 5 -6.171 3.621 -3.213 38 H SER 6 HN SER 6 -6.747 2.904 -0.701 39 HA SER 6 HA SER 6 -8.801 1.912 0.988 40 HB2 SER 6 HB2 SER 6 -6.711 3.985 1.656 41 HB3 SER 6 HB1 SER 6 -7.579 2.939 2.783 42 HG SER 6 HG SER 6 -6.369 1.269 2.199 43 H ALA 7 HN ALA 7 -8.967 4.466 -1.075 44 HA ALA 7 HA ALA 7 -10.290 6.379 0.616 45 HB1 ALA 7 HB1 ALA 7 -10.959 7.433 -1.562 46 HB2 ALA 7 HB2 ALA 7 -10.147 6.104 -2.388 47 HB3 ALA 7 HB3 ALA 7 -9.221 7.208 -1.371 48 H TYR 8 HN TYR 8 -12.673 7.036 -0.247 49 HA TYR 8 HA TYR 8 -14.145 4.513 -0.069 50 HB2 TYR 8 HB2 TYR 8 -16.063 5.991 0.704 51 HB3 TYR 8 HB1 TYR 8 -14.700 5.818 1.799 52 HD1 TYR 8 HD1 TYR 8 -16.251 8.089 -0.673 53 HD2 TYR 8 HD2 TYR 8 -13.527 7.721 2.567 54 HE1 TYR 8 HE1 TYR 8 -16.095 10.520 -0.539 55 HE2 TYR 8 HE2 TYR 8 -13.349 10.168 2.701 56 HH TYR 8 HH TYR 8 -13.733 12.124 1.375 57 H GLY 9 HN GLY 9 -14.006 4.104 -2.283 58 HA2 GLY 9 HA2 GLY 9 -15.849 4.010 -3.944 59 HA3 GLY 9 HA1 GLY 9 -15.836 5.754 -3.903 60 H CYS 10 HN CYS 10 -12.690 5.116 -3.694 61 HA CYS 10 HA CYS 10 -12.296 5.614 -6.497 62 HB2 CYS 10 HB2 CYS 10 -10.981 6.850 -4.816 63 HB3 CYS 10 HB1 CYS 10 -10.216 5.339 -4.330 64 H LYS 11 HN LYS 11 -13.146 3.434 -7.127 65 HA LYS 11 HA LYS 11 -11.204 1.302 -6.729 66 HB2 LYS 11 HB2 LYS 11 -12.822 -0.088 -8.033 67 HB3 LYS 11 HB1 LYS 11 -13.449 0.557 -6.528 68 HG2 LYS 11 HG2 LYS 11 -14.382 2.455 -8.047 69 HG3 LYS 11 HG1 LYS 11 -14.163 1.267 -9.334 70 HD2 LYS 11 HD2 LYS 11 -15.865 1.023 -6.856 71 HD3 LYS 11 HD1 LYS 11 -16.398 1.046 -8.536 72 HE2 LYS 11 HE2 LYS 11 -15.309 -1.099 -8.931 73 HE3 LYS 11 HE1 LYS 11 -14.700 -1.111 -7.277 74 HZ1 LYS 11 HZ1 LYS 11 -17.175 -0.946 -6.657 75 HZ2 LYS 11 HZ2 LYS 11 -16.566 -2.441 -7.155 76 HZ3 LYS 11 HZ3 LYS 11 -17.461 -1.487 -8.233 77 H ASN 12 HN ASN 12 -10.049 3.287 -7.948 78 HA ASN 12 HA ASN 12 -10.086 3.084 -10.831 79 HB2 ASN 12 HB2 ASN 12 -8.329 4.561 -8.905 80 HB3 ASN 12 HB1 ASN 12 -8.120 4.657 -10.647 81 HD21 ASN 12 HD21 ASN 12 -8.538 6.978 -9.323 82 HD22 ASN 12 HD22 ASN 12 -10.134 7.573 -9.636 83 H ARG 13 HN ARG 13 -9.628 0.694 -9.868 84 HA ARG 13 HA ARG 13 -7.352 -0.491 -9.253 85 HB2 ARG 13 HB2 ARG 13 -8.750 -2.153 -9.822 86 HB3 ARG 13 HB1 ARG 13 -9.584 -1.156 -10.998 87 HG2 ARG 13 HG2 ARG 13 -8.745 -3.071 -12.125 88 HG3 ARG 13 HG1 ARG 13 -7.761 -1.700 -12.631 89 HD2 ARG 13 HD2 ARG 13 -5.896 -2.561 -11.735 90 HD3 ARG 13 HD1 ARG 13 -6.727 -3.096 -10.277 91 HE ARG 13 HE ARG 13 -7.580 -4.938 -11.929 92 HH11 ARG 13 HH11 ARG 13 -4.356 -3.576 -11.777 93 HH12 ARG 13 HH12 ARG 13 -3.581 -5.015 -12.350 94 HH21 ARG 13 HH21 ARG 13 -6.567 -6.829 -12.683 95 HH22 ARG 13 HH22 ARG 13 -4.842 -6.870 -12.855 96 H TYR 14 HN TYR 14 -5.287 -0.677 -9.939 97 HA TYR 14 HA TYR 14 -3.814 0.920 -11.388 98 HB2 TYR 14 HB2 TYR 14 -3.396 -1.626 -10.454 99 HB3 TYR 14 HB1 TYR 14 -3.121 -1.814 -12.177 100 HD1 TYR 14 HD2 TYR 14 -1.714 0.515 -13.050 101 HD2 TYR 14 HD1 TYR 14 -1.424 -1.503 -9.306 102 HE1 TYR 14 HE2 TYR 14 0.560 1.395 -12.750 103 HE2 TYR 14 HE1 TYR 14 0.854 -0.630 -9.011 104 HH TYR 14 HH TYR 14 2.639 0.305 -10.174 105 H ASP 15 HN ASP 15 -4.259 1.905 -13.196 106 HA ASP 15 HA ASP 15 -4.796 0.296 -15.590 107 HB2 ASP 15 HB2 ASP 15 -6.865 1.348 -15.189 108 HB3 ASP 15 HB1 ASP 15 -6.105 2.837 -14.652 109 H LYS 16 HN LYS 16 -3.016 0.333 -16.666 110 HA LYS 16 HA LYS 16 -0.900 2.108 -16.390 111 HB2 LYS 16 HB2 LYS 16 0.146 0.715 -17.818 112 HB3 LYS 16 HB1 LYS 16 -1.295 -0.268 -17.609 113 HG2 LYS 16 HG2 LYS 16 -2.072 1.364 -19.636 114 HG3 LYS 16 HG1 LYS 16 -0.346 1.189 -19.964 115 HD2 LYS 16 HD2 LYS 16 -0.516 -1.169 -20.066 116 HD3 LYS 16 HD1 LYS 16 -2.152 -1.150 -19.415 117 HE2 LYS 16 HE2 LYS 16 -1.468 0.182 -22.017 118 HE3 LYS 16 HE1 LYS 16 -1.877 -1.531 -21.932 119 HZ1 LYS 16 HZ1 LYS 16 -3.928 -0.652 -20.641 120 HZ2 LYS 16 HZ2 LYS 16 -3.905 -0.572 -22.330 121 HZ3 LYS 16 HZ3 LYS 16 -3.576 0.818 -21.416 122 H ASP 17 HN ASP 17 -3.761 2.389 -18.320 123 HA ASP 17 HA ASP 17 -2.742 4.273 -20.192 124 HB2 ASP 17 HB2 ASP 17 -5.381 3.158 -19.474 125 HB3 ASP 17 HB1 ASP 17 -5.409 4.765 -20.190 126 H LYS 18 HN LYS 18 -4.121 4.411 -17.033 127 HA LYS 18 HA LYS 18 -4.253 7.324 -17.085 128 HB2 LYS 18 HB2 LYS 18 -5.827 7.148 -15.494 129 HB3 LYS 18 HB1 LYS 18 -5.872 5.445 -15.923 130 HG2 LYS 18 HG2 LYS 18 -4.074 5.137 -14.133 131 HG3 LYS 18 HG1 LYS 18 -4.516 6.757 -13.600 132 HD2 LYS 18 HD2 LYS 18 -5.982 4.207 -13.347 133 HD3 LYS 18 HD1 LYS 18 -5.945 5.600 -12.275 134 HE2 LYS 18 HE2 LYS 18 -8.048 5.928 -12.983 135 HE3 LYS 18 HE1 LYS 18 -7.285 6.617 -14.413 136 HZ1 LYS 18 HZ1 LYS 18 -9.004 4.953 -14.932 137 HZ2 LYS 18 HZ2 LYS 18 -8.096 3.774 -14.141 138 HZ3 LYS 18 HZ3 LYS 18 -7.484 4.509 -15.542 139 HA PRO 19 HA PRO 19 -0.387 7.552 -14.956 140 HB2 PRO 19 HB2 PRO 19 -0.376 10.146 -14.251 141 HB3 PRO 19 HB1 PRO 19 -0.323 9.637 -15.947 142 HG2 PRO 19 HG2 PRO 19 -2.559 10.781 -14.401 143 HG3 PRO 19 HG1 PRO 19 -2.178 10.922 -16.126 144 HD2 PRO 19 HD2 PRO 19 -4.069 9.178 -14.952 145 HD3 PRO 19 HD1 PRO 19 -3.506 9.173 -16.635 146 H VAL 20 HN VAL 20 -1.294 6.082 -13.174 147 HA VAL 20 HA VAL 20 -0.907 7.501 -10.664 148 HB VAL 20 HB VAL 20 -2.722 6.591 -9.456 149 HG11 VAL 20 HG11 VAL 20 -3.515 8.504 -10.494 150 HG12 VAL 20 HG12 VAL 20 -4.770 7.300 -10.792 151 HG13 VAL 20 HG13 VAL 20 -3.630 7.720 -12.071 152 HG21 VAL 20 HG21 VAL 20 -2.824 4.357 -10.284 153 HG22 VAL 20 HG22 VAL 20 -3.384 4.910 -11.865 154 HG23 VAL 20 HG23 VAL 20 -4.425 5.077 -10.448 155 H SER 21 HN SER 21 0.327 6.418 -9.295 156 HA SER 21 HA SER 21 1.046 3.662 -9.987 157 HB2 SER 21 HB2 SER 21 3.068 4.176 -8.513 158 HB3 SER 21 HB1 SER 21 2.977 5.087 -10.022 159 HG SER 21 HG SER 21 3.408 6.573 -8.457 160 H PHE 22 HN PHE 22 1.484 2.230 -8.042 161 HA PHE 22 HA PHE 22 -0.443 2.923 -5.942 162 HB2 PHE 22 HB2 PHE 22 0.120 0.424 -7.381 163 HB3 PHE 22 HB1 PHE 22 -0.032 0.222 -5.639 164 HD1 PHE 22 HD2 PHE 22 -1.775 1.248 -8.717 165 HD2 PHE 22 HD1 PHE 22 -2.154 0.495 -4.545 166 HE1 PHE 22 HE2 PHE 22 -4.238 1.257 -8.943 167 HE2 PHE 22 HE1 PHE 22 -4.601 0.504 -4.761 168 HZ PHE 22 HZ PHE 22 -5.643 0.886 -6.959 169 H HIS 23 HN HIS 23 0.040 2.097 -3.805 170 HA HIS 23 HA HIS 23 2.822 1.599 -3.050 171 HB2 HIS 23 HB2 HIS 23 1.733 3.728 -1.394 172 HB3 HIS 23 HB1 HIS 23 3.316 3.603 -2.137 173 HD1 HIS 23 HD1 HIS 23 -0.181 4.618 -3.013 174 HD2 HIS 23 HD2 HIS 23 3.725 5.364 -4.185 175 HE1 HIS 23 HE1 HIS 23 -0.359 6.438 -4.693 176 HE2 HIS 23 HE2 HIS 23 2.007 6.718 -5.577 177 H LYS 24 HN LYS 24 2.850 1.573 -0.502 178 HA LYS 24 HA LYS 24 0.311 0.326 0.333 179 HB2 LYS 24 HB2 LYS 24 3.137 -0.191 1.335 180 HB3 LYS 24 HB1 LYS 24 1.691 -0.909 2.021 181 HG2 LYS 24 HG2 LYS 24 1.751 -1.366 -0.806 182 HG3 LYS 24 HG1 LYS 24 3.266 -1.891 -0.074 183 HD2 LYS 24 HD2 LYS 24 0.495 -2.712 0.797 184 HD3 LYS 24 HD1 LYS 24 1.627 -3.704 -0.120 185 HE2 LYS 24 HE2 LYS 24 1.848 -2.771 2.731 186 HE3 LYS 24 HE1 LYS 24 1.792 -4.424 2.127 187 HZ1 LYS 24 HZ1 LYS 24 4.019 -4.063 2.627 188 HZ2 LYS 24 HZ2 LYS 24 4.023 -2.492 2.007 189 HZ3 LYS 24 HZ3 LYS 24 3.962 -3.817 0.954 190 H PHE 25 HN PHE 25 -0.050 0.643 2.833 191 HA PHE 25 HA PHE 25 -0.096 3.377 3.481 192 HB2 PHE 25 HB2 PHE 25 -0.670 0.853 4.888 193 HB3 PHE 25 HB1 PHE 25 -0.167 2.162 5.939 194 HD1 PHE 25 HD2 PHE 25 -2.577 1.483 3.196 195 HD2 PHE 25 HD1 PHE 25 -1.770 3.589 6.784 196 HE1 PHE 25 HE2 PHE 25 -4.876 2.362 3.187 197 HE2 PHE 25 HE1 PHE 25 -4.078 4.451 6.807 198 HZ PHE 25 HZ PHE 25 -5.631 3.838 5.003 199 HA PRO 26 HA PRO 26 3.903 4.244 5.325 200 HB2 PRO 26 HB2 PRO 26 3.184 5.952 7.316 201 HB3 PRO 26 HB1 PRO 26 3.118 6.433 5.607 202 HG2 PRO 26 HG2 PRO 26 0.919 5.429 7.357 203 HG3 PRO 26 HG1 PRO 26 0.930 6.846 6.292 204 HD2 PRO 26 HD2 PRO 26 -0.199 4.577 5.495 205 HD3 PRO 26 HD1 PRO 26 0.749 5.559 4.363 206 H LEU 27 HN LEU 27 3.760 1.898 6.054 207 HA LEU 27 HA LEU 27 2.761 1.221 8.617 208 HB2 LEU 27 HB2 LEU 27 4.547 -0.091 6.610 209 HB3 LEU 27 HB1 LEU 27 4.351 -0.800 8.202 210 HG LEU 27 HG LEU 27 2.153 -0.272 6.195 211 HD11 LEU 27 HD11 LEU 27 3.656 -2.195 5.702 212 HD12 LEU 27 HD12 LEU 27 1.986 -2.663 6.022 213 HD13 LEU 27 HD13 LEU 27 3.216 -2.884 7.266 214 HD21 LEU 27 HD21 LEU 27 0.925 -1.741 7.989 215 HD22 LEU 27 HD22 LEU 27 1.043 0.010 8.174 216 HD23 LEU 27 HD23 LEU 27 2.137 -1.045 9.069 217 H THR 28 HN THR 28 5.660 2.608 7.497 218 HA THR 28 HA THR 28 7.109 1.991 9.921 219 HB THR 28 HB THR 28 8.985 3.099 8.812 220 HG1 THR 28 HG1 THR 28 7.909 3.468 6.362 221 HG21 THR 28 HG21 THR 28 7.357 1.165 7.174 222 HG22 THR 28 HG22 THR 28 8.714 0.805 8.256 223 HG23 THR 28 HG23 THR 28 8.996 1.648 6.732 224 H ARG 29 HN ARG 29 4.744 4.065 9.290 225 HA ARG 29 HA ARG 29 5.656 5.909 11.342 226 HB2 ARG 29 HB2 ARG 29 6.227 6.926 9.095 227 HB3 ARG 29 HB1 ARG 29 4.504 6.943 8.743 228 HG2 ARG 29 HG2 ARG 29 4.075 8.500 10.454 229 HG3 ARG 29 HG1 ARG 29 5.676 8.306 11.146 230 HD2 ARG 29 HD2 ARG 29 5.943 9.039 8.413 231 HD3 ARG 29 HD1 ARG 29 4.822 10.148 9.192 232 HE ARG 29 HE ARG 29 6.601 10.490 10.907 233 HH11 ARG 29 HH11 ARG 29 7.426 9.458 7.650 234 HH12 ARG 29 HH12 ARG 29 9.038 10.088 7.730 235 HH21 ARG 29 HH21 ARG 29 8.717 11.335 10.976 236 HH22 ARG 29 HH22 ARG 29 9.765 11.162 9.603 237 HA PRO 30 HA PRO 30 1.407 3.852 11.610 238 HB2 PRO 30 HB2 PRO 30 1.695 4.184 14.409 239 HB3 PRO 30 HB1 PRO 30 1.742 2.671 13.491 240 HG2 PRO 30 HG2 PRO 30 3.960 4.305 14.522 241 HG3 PRO 30 HG1 PRO 30 3.911 2.576 14.136 242 HD2 PRO 30 HD2 PRO 30 5.232 4.326 12.598 243 HD3 PRO 30 HD1 PRO 30 4.392 2.921 11.909 244 H SER 31 HN SER 31 2.570 6.470 13.798 245 HA SER 31 HA SER 31 0.117 7.587 14.452 246 HB2 SER 31 HB2 SER 31 1.629 9.807 14.296 247 HB3 SER 31 HB1 SER 31 1.829 8.619 15.587 248 HG SER 31 HG SER 31 3.838 8.832 14.803 249 H LEU 32 HN LEU 32 2.206 8.385 11.718 250 HA LEU 32 HA LEU 32 0.439 10.207 10.497 251 HB2 LEU 32 HB2 LEU 32 2.897 10.000 10.094 252 HB3 LEU 32 HB1 LEU 32 2.598 8.508 9.232 253 HG LEU 32 HG LEU 32 2.937 10.871 8.036 254 HD11 LEU 32 HD11 LEU 32 1.165 8.611 7.162 255 HD12 LEU 32 HD12 LEU 32 2.891 8.818 6.850 256 HD13 LEU 32 HD13 LEU 32 1.722 9.903 6.097 257 HD21 LEU 32 HD21 LEU 32 -0.018 10.607 8.459 258 HD22 LEU 32 HD22 LEU 32 0.753 11.695 7.301 259 HD23 LEU 32 HD23 LEU 32 1.034 11.903 9.030 260 H CYS 33 HN CYS 33 0.844 6.740 10.384 261 HA CYS 33 HA CYS 33 -0.696 6.151 8.063 262 HB2 CYS 33 HB2 CYS 33 0.810 4.568 9.317 263 HB3 CYS 33 HB1 CYS 33 -0.375 4.571 10.629 264 HG CYS 33 HG CYS 33 -0.289 2.214 8.855 265 H LYS 34 HN LYS 34 -1.349 6.762 11.373 266 HA LYS 34 HA LYS 34 -4.001 5.849 11.479 267 HB2 LYS 34 HB2 LYS 34 -2.988 5.881 13.504 268 HB3 LYS 34 HB1 LYS 34 -2.105 7.356 13.167 269 HG2 LYS 34 HG2 LYS 34 -4.723 8.203 13.251 270 HG3 LYS 34 HG1 LYS 34 -4.622 6.998 14.543 271 HD2 LYS 34 HD2 LYS 34 -2.391 8.211 15.124 272 HD3 LYS 34 HD1 LYS 34 -3.087 9.537 14.185 273 HE2 LYS 34 HE2 LYS 34 -5.177 9.230 15.654 274 HE3 LYS 34 HE1 LYS 34 -4.117 8.315 16.725 275 HZ1 LYS 34 HZ1 LYS 34 -4.359 10.739 17.248 276 HZ2 LYS 34 HZ2 LYS 34 -3.505 11.072 15.830 277 HZ3 LYS 34 HZ3 LYS 34 -2.767 10.200 17.076 278 H GLU 35 HN GLU 35 -2.616 8.997 10.526 279 HA GLU 35 HA GLU 35 -5.189 10.250 10.920 280 HB2 GLU 35 HB2 GLU 35 -4.122 11.999 9.245 281 HB3 GLU 35 HB1 GLU 35 -3.806 12.017 10.959 282 HG2 GLU 35 HG2 GLU 35 -1.785 10.528 10.351 283 HG3 GLU 35 HG1 GLU 35 -2.039 11.196 8.734 284 H TRP 36 HN TRP 36 -3.696 8.326 8.517 285 HA TRP 36 HA TRP 36 -5.163 9.256 6.295 286 HB2 TRP 36 HB2 TRP 36 -4.050 6.507 6.914 287 HB3 TRP 36 HB1 TRP 36 -4.788 6.942 5.373 288 HD1 TRP 36 HD1 TRP 36 -2.452 9.375 7.197 289 HE1 TRP 36 HE1 TRP 36 -0.339 9.721 5.771 290 HE3 TRP 36 HE3 TRP 36 -3.280 5.798 3.604 291 HZ2 TRP 36 HZ2 TRP 36 0.837 8.616 3.472 292 HZ3 TRP 36 HZ3 TRP 36 -1.604 5.526 1.818 293 HH2 TRP 36 HH2 TRP 36 0.420 6.905 1.766 294 H GLU 37 HN GLU 37 -5.882 7.227 9.032 295 HA GLU 37 HA GLU 37 -8.313 6.106 8.101 296 HB2 GLU 37 HB2 GLU 37 -7.738 6.836 10.973 297 HB3 GLU 37 HB1 GLU 37 -8.758 5.540 10.369 298 HG2 GLU 37 HG2 GLU 37 -5.860 5.461 9.716 299 HG3 GLU 37 HG1 GLU 37 -6.375 5.111 11.361 300 H ALA 38 HN ALA 38 -7.398 9.124 9.596 301 HA ALA 38 HA ALA 38 -9.923 10.083 10.328 302 HB1 ALA 38 HB1 ALA 38 -7.991 11.094 11.273 303 HB2 ALA 38 HB2 ALA 38 -8.822 12.316 10.310 304 HB3 ALA 38 HB3 ALA 38 -7.377 11.528 9.677 305 H ALA 39 HN ALA 39 -8.275 9.899 7.283 306 HA ALA 39 HA ALA 39 -10.104 11.787 6.036 307 HB1 ALA 39 HB1 ALA 39 -7.689 11.654 5.389 308 HB2 ALA 39 HB2 ALA 39 -8.816 11.510 4.041 309 HB3 ALA 39 HB3 ALA 39 -8.027 10.070 4.690 310 H VAL 40 HN VAL 40 -9.706 8.386 6.535 311 HA VAL 40 HA VAL 40 -11.719 7.670 4.533 312 HB VAL 40 HB VAL 40 -10.643 5.723 6.524 313 HG11 VAL 40 HG11 VAL 40 -10.853 4.161 4.667 314 HG12 VAL 40 HG12 VAL 40 -11.319 5.485 3.598 315 HG13 VAL 40 HG13 VAL 40 -12.366 5.028 4.941 316 HG21 VAL 40 HG21 VAL 40 -8.666 6.973 5.704 317 HG22 VAL 40 HG22 VAL 40 -9.105 6.518 4.056 318 HG23 VAL 40 HG23 VAL 40 -8.663 5.276 5.227 319 H ARG 41 HN ARG 41 -12.655 9.381 6.433 320 HA ARG 41 HA ARG 41 -13.833 8.157 8.703 321 HB2 ARG 41 HB2 ARG 41 -14.899 10.236 9.108 322 HB3 ARG 41 HB1 ARG 41 -13.317 10.605 8.439 323 HG2 ARG 41 HG2 ARG 41 -15.650 10.449 6.591 324 HG3 ARG 41 HG1 ARG 41 -15.471 11.865 7.627 325 HD2 ARG 41 HD2 ARG 41 -13.533 10.828 5.571 326 HD3 ARG 41 HD1 ARG 41 -14.422 12.349 5.539 327 HE ARG 41 HE ARG 41 -12.209 11.712 7.384 328 HH11 ARG 41 HH11 ARG 41 -14.195 14.057 5.684 329 HH12 ARG 41 HH12 ARG 41 -13.223 15.403 6.180 330 HH21 ARG 41 HH21 ARG 41 -10.954 13.484 8.023 331 HH22 ARG 41 HH22 ARG 41 -11.397 15.084 7.516 332 H ARG 42 HN ARG 42 -14.528 7.241 5.796 333 HA ARG 42 HA ARG 42 -17.404 7.556 5.742 334 HB2 ARG 42 HB2 ARG 42 -15.704 7.350 3.739 335 HB3 ARG 42 HB1 ARG 42 -15.901 5.628 4.015 336 HG2 ARG 42 HG2 ARG 42 -17.467 6.065 2.388 337 HG3 ARG 42 HG1 ARG 42 -18.424 6.117 3.868 338 HD2 ARG 42 HD2 ARG 42 -18.224 8.565 3.895 339 HD3 ARG 42 HD1 ARG 42 -17.305 8.497 2.390 340 HE ARG 42 HE ARG 42 -19.897 7.235 2.264 341 HH11 ARG 42 HH11 ARG 42 -18.132 10.225 1.892 342 HH12 ARG 42 HH12 ARG 42 -19.300 10.932 0.827 343 HH21 ARG 42 HH21 ARG 42 -21.436 8.162 0.849 344 HH22 ARG 42 HH22 ARG 42 -21.173 9.761 0.231 345 H LYS 43 HN LYS 43 -18.871 5.761 5.764 346 HA LYS 43 HA LYS 43 -18.458 3.930 7.848 347 HB2 LYS 43 HB2 LYS 43 -20.701 4.178 7.522 348 HB3 LYS 43 HB1 LYS 43 -20.526 4.428 5.794 349 HG2 LYS 43 HG2 LYS 43 -20.288 2.030 5.442 350 HG3 LYS 43 HG1 LYS 43 -20.399 1.753 7.183 351 HD2 LYS 43 HD2 LYS 43 -22.661 2.900 7.074 352 HD3 LYS 43 HD1 LYS 43 -22.527 2.780 5.319 353 HE2 LYS 43 HE2 LYS 43 -21.994 0.286 6.776 354 HE3 LYS 43 HE1 LYS 43 -23.644 0.887 6.918 355 HZ1 LYS 43 HZ1 LYS 43 -23.668 1.030 4.443 356 HZ2 LYS 43 HZ2 LYS 43 -23.556 -0.545 5.047 357 HZ3 LYS 43 HZ3 LYS 43 -22.182 0.222 4.427 358 H ASN 44 HN ASN 44 -18.287 3.632 4.347 359 HA ASN 44 HA ASN 44 -17.575 0.851 4.476 360 HB2 ASN 44 HB2 ASN 44 -17.165 1.301 1.923 361 HB3 ASN 44 HB1 ASN 44 -18.800 1.218 2.552 362 HD21 ASN 44 HD21 ASN 44 -20.093 2.972 2.438 363 HD22 ASN 44 HD22 ASN 44 -19.630 4.472 1.712 364 H PHE 45 HN PHE 45 -15.736 1.725 5.974 365 HA PHE 45 HA PHE 45 -13.415 2.822 4.793 366 HB2 PHE 45 HB2 PHE 45 -13.903 2.713 7.280 367 HB3 PHE 45 HB1 PHE 45 -13.545 0.993 7.220 368 HD1 PHE 45 HD1 PHE 45 -11.178 0.516 6.001 369 HD2 PHE 45 HD2 PHE 45 -12.199 4.072 8.100 370 HE1 PHE 45 HE1 PHE 45 -8.801 0.964 6.374 371 HE2 PHE 45 HE2 PHE 45 -9.820 4.536 8.464 372 HZ PHE 45 HZ PHE 45 -8.115 2.986 7.607 373 H LYS 46 HN LYS 46 -12.345 1.938 3.208 374 HA LYS 46 HA LYS 46 -12.553 -0.759 2.406 375 HB2 LYS 46 HB2 LYS 46 -11.510 1.699 1.420 376 HB3 LYS 46 HB1 LYS 46 -10.287 0.448 1.214 377 HG2 LYS 46 HG2 LYS 46 -11.380 -0.396 -0.516 378 HG3 LYS 46 HG1 LYS 46 -12.832 -0.600 0.459 379 HD2 LYS 46 HD2 LYS 46 -13.050 2.004 0.034 380 HD3 LYS 46 HD1 LYS 46 -12.067 1.611 -1.376 381 HE2 LYS 46 HE2 LYS 46 -14.780 0.542 -0.646 382 HE3 LYS 46 HE1 LYS 46 -14.331 1.490 -2.064 383 HZ1 LYS 46 HZ1 LYS 46 -14.560 -0.778 -2.714 384 HZ2 LYS 46 HZ2 LYS 46 -13.551 -1.307 -1.467 385 HZ3 LYS 46 HZ3 LYS 46 -12.907 -0.407 -2.744 386 HA PRO 47 HA PRO 47 -9.263 -3.165 4.072 387 HB2 PRO 47 HB2 PRO 47 -7.356 -2.578 1.873 388 HB3 PRO 47 HB1 PRO 47 -7.846 -4.131 2.575 389 HG2 PRO 47 HG2 PRO 47 -8.801 -3.372 0.231 390 HG3 PRO 47 HG1 PRO 47 -9.825 -4.216 1.409 391 HD2 PRO 47 HD2 PRO 47 -9.794 -1.342 0.663 392 HD3 PRO 47 HD1 PRO 47 -11.160 -2.357 1.139 393 H THR 48 HN THR 48 -7.295 -3.216 5.100 394 HA THR 48 HA THR 48 -6.688 -0.730 6.349 395 HB THR 48 HB THR 48 -5.498 -2.050 7.936 396 HG1 THR 48 HG1 THR 48 -5.010 -4.244 7.498 397 HG21 THR 48 HG21 THR 48 -7.205 -3.413 8.678 398 HG22 THR 48 HG22 THR 48 -7.599 -3.953 7.041 399 HG23 THR 48 HG23 THR 48 -8.062 -2.333 7.575 400 H LYS 49 HN LYS 49 -4.204 -0.941 7.148 401 HA LYS 49 HA LYS 49 -2.713 0.269 5.142 402 HB2 LYS 49 HB2 LYS 49 -0.771 -0.282 6.828 403 HB3 LYS 49 HB1 LYS 49 -1.993 0.923 7.199 404 HG2 LYS 49 HG2 LYS 49 -2.991 -1.527 8.146 405 HG3 LYS 49 HG1 LYS 49 -1.296 -1.441 8.638 406 HD2 LYS 49 HD2 LYS 49 -2.451 -0.366 10.378 407 HD3 LYS 49 HD1 LYS 49 -1.823 0.950 9.380 408 HE2 LYS 49 HE2 LYS 49 -4.021 1.040 8.227 409 HE3 LYS 49 HE1 LYS 49 -4.627 -0.149 9.376 410 HZ1 LYS 49 HZ1 LYS 49 -3.419 2.377 10.303 411 HZ2 LYS 49 HZ2 LYS 49 -4.488 1.352 11.116 412 HZ3 LYS 49 HZ3 LYS 49 -5.049 2.315 9.837 413 H TYR 50 HN TYR 50 -3.309 -3.060 5.480 414 HA TYR 50 HA TYR 50 -0.682 -3.808 4.505 415 HB2 TYR 50 HB2 TYR 50 -3.241 -5.336 4.859 416 HB3 TYR 50 HB1 TYR 50 -1.788 -6.047 4.178 417 HD1 TYR 50 HD1 TYR 50 0.320 -6.005 5.615 418 HD2 TYR 50 HD2 TYR 50 -3.577 -5.296 7.153 419 HE1 TYR 50 HE1 TYR 50 1.101 -6.644 7.848 420 HE2 TYR 50 HE2 TYR 50 -2.801 -5.925 9.411 421 HH TYR 50 HH TYR 50 -0.261 -7.703 9.980 422 H SER 51 HN SER 51 -3.753 -2.855 3.284 423 HA SER 51 HA SER 51 -3.331 -3.895 0.649 424 HB2 SER 51 HB2 SER 51 -5.408 -2.360 2.035 425 HB3 SER 51 HB1 SER 51 -5.214 -1.955 0.324 426 HG SER 51 HG SER 51 -6.628 -3.853 1.044 427 H SER 52 HN SER 52 -3.475 -2.191 -1.212 428 HA SER 52 HA SER 52 -1.357 -0.253 -0.658 429 HB2 SER 52 HB2 SER 52 -1.246 -0.662 -3.343 430 HB3 SER 52 HB1 SER 52 -0.281 -1.519 -2.150 431 HG SER 52 HG SER 52 -1.209 -3.242 -3.097 432 H ILE 53 HN ILE 53 -1.431 1.788 -1.584 433 HA ILE 53 HA ILE 53 -4.128 2.711 -2.372 434 HB ILE 53 HB ILE 53 -1.961 4.217 -0.850 435 HG12 ILE 53 HG12 ILE 53 -3.823 4.256 0.931 436 HG13 ILE 53 HG11 ILE 53 -4.546 2.943 0.017 437 HG21 ILE 53 HG21 ILE 53 -4.712 5.085 -1.707 438 HG22 ILE 53 HG22 ILE 53 -3.161 5.784 -2.200 439 HG23 ILE 53 HG23 ILE 53 -3.719 5.943 -0.527 440 HD11 ILE 53 HD11 ILE 53 -2.184 1.859 0.279 441 HD12 ILE 53 HD12 ILE 53 -3.363 1.800 1.590 442 HD13 ILE 53 HD13 ILE 53 -2.059 2.983 1.637 443 H CYS 54 HN CYS 54 -3.987 4.784 -3.797 444 HA CYS 54 HA CYS 54 -1.708 4.477 -5.614 445 HB2 CYS 54 HB2 CYS 54 -3.180 4.991 -7.474 446 HB3 CYS 54 HB1 CYS 54 -3.767 3.606 -6.580 447 H SER 55 HN SER 55 -1.114 6.258 -6.881 448 HA SER 55 HA SER 55 -0.097 8.378 -5.604 449 HB2 SER 55 HB2 SER 55 0.484 7.689 -7.865 450 HB3 SER 55 HB1 SER 55 -1.044 8.326 -8.469 451 HG SER 55 HG SER 55 -0.315 10.334 -8.261 452 H GLU 56 HN GLU 56 -2.900 8.868 -7.687 453 HA GLU 56 HA GLU 56 -3.554 11.403 -7.449 454 HB2 GLU 56 HB2 GLU 56 -6.044 10.385 -7.251 455 HB3 GLU 56 HB1 GLU 56 -5.085 10.352 -8.731 456 HG2 GLU 56 HG2 GLU 56 -4.604 8.132 -8.536 457 HG3 GLU 56 HG1 GLU 56 -4.761 8.134 -6.789 458 H HIS 57 HN HIS 57 -3.774 9.297 -4.693 459 HA HIS 57 HA HIS 57 -5.642 11.003 -3.315 460 HB2 HIS 57 HB2 HIS 57 -4.091 8.600 -2.366 461 HB3 HIS 57 HB1 HIS 57 -5.320 9.442 -1.421 462 HD1 HIS 57 HD1 HIS 57 -7.641 9.771 -3.166 463 HD2 HIS 57 HD2 HIS 57 -5.180 6.438 -3.490 464 HE1 HIS 57 HE1 HIS 57 -9.011 7.995 -4.327 465 H PHE 58 HN PHE 58 -2.217 10.997 -3.649 466 HA PHE 58 HA PHE 58 -2.106 12.991 -1.479 467 HB2 PHE 58 HB2 PHE 58 0.491 11.739 -1.884 468 HB3 PHE 58 HB1 PHE 58 -0.424 11.969 -0.390 469 HD1 PHE 58 HD2 PHE 58 -2.018 10.211 0.348 470 HD2 PHE 58 HD1 PHE 58 0.601 9.680 -2.956 471 HE1 PHE 58 HE2 PHE 58 -2.339 7.781 0.492 472 HE2 PHE 58 HE1 PHE 58 0.290 7.258 -2.818 473 HZ PHE 58 HZ PHE 58 -1.181 6.297 -1.094 474 H THR 59 HN THR 59 -0.462 14.557 -1.756 475 HA THR 59 HA THR 59 -0.150 15.437 -4.448 476 HB THR 59 HB THR 59 1.518 17.043 -3.186 477 HG1 THR 59 HG1 THR 59 0.321 17.066 -0.914 478 HG21 THR 59 HG21 THR 59 -0.517 18.330 -2.365 479 HG22 THR 59 HG22 THR 59 -1.473 16.958 -2.935 480 HG23 THR 59 HG23 THR 59 -0.490 17.887 -4.070 481 HA PRO 60 HA PRO 60 3.517 13.361 -5.785 482 HB2 PRO 60 HB2 PRO 60 4.846 15.736 -6.621 483 HB3 PRO 60 HB1 PRO 60 3.839 14.688 -7.632 484 HG2 PRO 60 HG2 PRO 60 3.106 17.195 -6.210 485 HG3 PRO 60 HG1 PRO 60 2.563 16.589 -7.788 486 HD2 PRO 60 HD2 PRO 60 0.961 16.460 -5.700 487 HD3 PRO 60 HD1 PRO 60 1.082 15.077 -6.810 488 H ASP 61 HN ASP 61 3.727 16.340 -3.956 489 HA ASP 61 HA ASP 61 6.371 16.112 -3.011 490 HB2 ASP 61 HB2 ASP 61 4.134 17.276 -1.365 491 HB3 ASP 61 HB1 ASP 61 5.811 17.805 -1.466 492 H SER 62 HN SER 62 3.303 14.994 -1.777 493 HA SER 62 HA SER 62 4.366 13.800 0.616 494 HB2 SER 62 HB2 SER 62 1.684 14.128 -0.650 495 HB3 SER 62 HB1 SER 62 1.875 12.932 0.632 496 HG SER 62 HG SER 62 1.353 15.363 1.039 497 H PHE 63 HN PHE 63 4.419 12.847 -2.490 498 HA PHE 63 HA PHE 63 3.396 10.454 -2.953 499 HB2 PHE 63 HB2 PHE 63 5.610 11.830 -3.989 500 HB3 PHE 63 HB1 PHE 63 6.097 10.172 -3.750 501 HD1 PHE 63 HD2 PHE 63 3.341 8.953 -4.184 502 HD2 PHE 63 HD1 PHE 63 5.625 11.809 -6.357 503 HE1 PHE 63 HE2 PHE 63 2.206 8.277 -6.251 504 HE2 PHE 63 HE1 PHE 63 4.496 11.135 -8.435 505 HZ PHE 63 HZ PHE 63 2.786 9.367 -8.385 506 H LYS 64 HN LYS 64 6.797 10.342 -1.639 507 HA LYS 64 HA LYS 64 6.234 8.315 0.264 508 HB2 LYS 64 HB2 LYS 64 7.185 6.369 -0.952 509 HB3 LYS 64 HB1 LYS 64 5.686 6.957 -1.648 510 HG2 LYS 64 HG2 LYS 64 6.872 8.080 -3.410 511 HG3 LYS 64 HG1 LYS 64 8.420 7.636 -2.689 512 HD2 LYS 64 HD2 LYS 64 8.392 5.682 -3.740 513 HD3 LYS 64 HD1 LYS 64 6.810 5.296 -3.059 514 HE2 LYS 64 HE2 LYS 64 5.773 6.679 -4.854 515 HE3 LYS 64 HE1 LYS 64 7.373 6.866 -5.570 516 HZ1 LYS 64 HZ1 LYS 64 7.512 4.505 -5.891 517 HZ2 LYS 64 HZ2 LYS 64 6.073 5.060 -6.584 518 HZ3 LYS 64 HZ3 LYS 64 6.039 4.253 -5.093 519 H ARG 65 HN ARG 65 8.706 6.802 -0.707 520 HA ARG 65 HA ARG 65 10.584 7.864 1.033 521 HB2 ARG 65 HB2 ARG 65 12.187 6.324 -0.146 522 HB3 ARG 65 HB1 ARG 65 10.723 5.574 0.472 523 HG2 ARG 65 HG2 ARG 65 9.847 5.993 -1.964 524 HG3 ARG 65 HG1 ARG 65 11.569 6.058 -2.344 525 HD2 ARG 65 HD2 ARG 65 10.980 3.820 -0.624 526 HD3 ARG 65 HD1 ARG 65 9.967 3.778 -2.063 527 HE ARG 65 HE ARG 65 12.375 4.186 -3.143 528 HH11 ARG 65 HH11 ARG 65 11.331 1.938 -0.667 529 HH12 ARG 65 HH12 ARG 65 12.502 0.727 -1.079 530 HH21 ARG 65 HH21 ARG 65 13.923 2.593 -3.708 531 HH22 ARG 65 HH22 ARG 65 13.987 1.103 -2.827 532 H GLU 66 HN GLU 66 9.869 8.905 -2.140 533 HA GLU 66 HA GLU 66 12.471 9.987 -2.697 534 HB2 GLU 66 HB2 GLU 66 9.794 10.200 -4.084 535 HB3 GLU 66 HB1 GLU 66 11.121 11.266 -4.521 536 HG2 GLU 66 HG2 GLU 66 12.464 9.466 -5.236 537 HG3 GLU 66 HG1 GLU 66 11.392 8.279 -4.495 538 H SER 67 HN SER 67 10.436 10.674 -0.386 539 HA SER 67 HA SER 67 10.006 13.460 -0.532 540 HB2 SER 67 HB2 SER 67 8.618 12.198 0.912 541 HB3 SER 67 HB1 SER 67 9.978 11.445 1.726 542 HG SER 67 HG SER 67 10.036 14.173 1.925 543 H ASN 68 HN ASN 68 11.471 12.868 2.445 544 HA ASN 68 HA ASN 68 13.727 14.579 1.691 545 HB2 ASN 68 HB2 ASN 68 11.914 14.682 3.818 546 HB3 ASN 68 HB1 ASN 68 13.421 14.131 4.540 547 HD21 ASN 68 HD21 ASN 68 13.937 15.947 5.629 548 HD22 ASN 68 HD22 ASN 68 14.300 17.460 4.877 549 H ASN 69 HN ASN 69 13.277 12.127 4.243 550 HA ASN 69 HA ASN 69 16.033 11.302 3.769 551 HB2 ASN 69 HB2 ASN 69 16.038 10.313 5.944 552 HB3 ASN 69 HB1 ASN 69 15.296 11.898 6.091 553 HD21 ASN 69 HD21 ASN 69 15.044 8.684 6.885 554 HD22 ASN 69 HD22 ASN 69 13.377 8.637 7.343 555 H LYS 70 HN LYS 70 13.068 9.444 4.603 556 HA LYS 70 HA LYS 70 13.738 7.575 2.477 557 HB2 LYS 70 HB2 LYS 70 14.039 7.057 5.367 558 HB3 LYS 70 HB1 LYS 70 13.282 5.780 4.442 559 HG2 LYS 70 HG2 LYS 70 15.935 7.017 3.742 560 HG3 LYS 70 HG1 LYS 70 15.751 5.553 4.708 561 HD2 LYS 70 HD2 LYS 70 14.813 4.363 2.882 562 HD3 LYS 70 HD1 LYS 70 14.602 5.838 1.938 563 HE2 LYS 70 HE2 LYS 70 17.276 4.723 2.777 564 HE3 LYS 70 HE1 LYS 70 16.524 4.423 1.213 565 HZ1 LYS 70 HZ1 LYS 70 17.651 6.919 2.276 566 HZ2 LYS 70 HZ2 LYS 70 16.426 6.997 1.118 567 HZ3 LYS 70 HZ3 LYS 70 17.879 6.204 0.757 568 H LEU 71 HN LEU 71 11.365 9.191 4.244 569 HA LEU 71 HA LEU 71 9.323 7.572 2.948 570 HB2 LEU 71 HB2 LEU 71 9.913 7.121 5.598 571 HB3 LEU 71 HB1 LEU 71 8.571 8.244 5.694 572 HG LEU 71 HG LEU 71 8.545 5.426 5.151 573 HD11 LEU 71 HD11 LEU 71 6.161 5.710 5.571 574 HD12 LEU 71 HD12 LEU 71 6.345 7.460 5.453 575 HD13 LEU 71 HD13 LEU 71 7.135 6.579 6.761 576 HD21 LEU 71 HD21 LEU 71 8.483 5.749 2.836 577 HD22 LEU 71 HD22 LEU 71 7.498 7.209 2.969 578 HD23 LEU 71 HD23 LEU 71 6.786 5.625 3.295 579 H LEU 72 HN LEU 72 7.051 8.599 3.818 580 HA LEU 72 HA LEU 72 6.936 11.092 2.496 581 HB2 LEU 72 HB2 LEU 72 4.685 10.468 4.265 582 HB3 LEU 72 HB1 LEU 72 4.703 10.902 2.566 583 HG LEU 72 HG LEU 72 5.734 8.307 2.634 584 HD11 LEU 72 HD11 LEU 72 3.168 8.052 4.034 585 HD12 LEU 72 HD12 LEU 72 4.530 8.560 5.033 586 HD13 LEU 72 HD13 LEU 72 4.615 7.052 4.121 587 HD21 LEU 72 HD21 LEU 72 4.378 8.965 0.850 588 HD22 LEU 72 HD22 LEU 72 3.073 9.496 1.913 589 HD23 LEU 72 HD23 LEU 72 3.412 7.770 1.719 590 H LYS 73 HN LYS 73 5.379 12.750 3.564 591 HA LYS 73 HA LYS 73 6.862 13.965 5.714 592 HB2 LYS 73 HB2 LYS 73 4.278 14.949 4.483 593 HB3 LYS 73 HB1 LYS 73 5.430 15.881 5.414 594 HG2 LYS 73 HG2 LYS 73 5.692 16.548 3.182 595 HG3 LYS 73 HG1 LYS 73 7.066 15.502 3.527 596 HD2 LYS 73 HD2 LYS 73 4.803 14.028 2.504 597 HD3 LYS 73 HD1 LYS 73 5.304 15.311 1.402 598 HE2 LYS 73 HE2 LYS 73 7.486 14.457 1.235 599 HE3 LYS 73 HE1 LYS 73 7.268 13.412 2.637 600 HZ1 LYS 73 HZ1 LYS 73 7.061 11.944 0.905 601 HZ2 LYS 73 HZ2 LYS 73 6.314 13.067 -0.115 602 HZ3 LYS 73 HZ3 LYS 73 5.440 12.357 1.149 603 H GLU 74 HN GLU 74 6.423 13.559 7.742 604 HA GLU 74 HA GLU 74 4.416 11.943 8.727 605 HB2 GLU 74 HB2 GLU 74 6.373 12.432 10.021 606 HB3 GLU 74 HB1 GLU 74 5.982 14.143 10.065 607 HG2 GLU 74 HG2 GLU 74 4.349 13.879 11.636 608 HG3 GLU 74 HG1 GLU 74 4.052 12.195 11.197 609 H ASN 75 HN ASN 75 4.361 15.347 8.072 610 HA ASN 75 HA ASN 75 1.743 15.658 9.318 611 HB2 ASN 75 HB2 ASN 75 3.919 17.426 8.517 612 HB3 ASN 75 HB1 ASN 75 2.321 18.039 8.113 613 HD21 ASN 75 HD21 ASN 75 3.115 15.963 10.810 614 HD22 ASN 75 HD22 ASN 75 2.755 17.104 12.049 615 H ALA 76 HN ALA 76 2.344 14.169 6.755 616 HA ALA 76 HA ALA 76 0.376 15.588 5.081 617 HB1 ALA 76 HB1 ALA 76 2.543 15.660 4.008 618 HB2 ALA 76 HB2 ALA 76 1.452 14.613 3.096 619 HB3 ALA 76 HB3 ALA 76 2.689 13.907 4.139 620 H VAL 77 HN VAL 77 -1.389 14.589 4.635 621 HA VAL 77 HA VAL 77 -1.499 11.674 4.611 622 HB VAL 77 HB VAL 77 -2.250 11.968 6.786 623 HG11 VAL 77 HG11 VAL 77 -2.296 14.464 6.644 624 HG12 VAL 77 HG12 VAL 77 -3.530 13.729 7.674 625 HG13 VAL 77 HG13 VAL 77 -3.958 14.326 6.068 626 HG21 VAL 77 HG21 VAL 77 -3.901 10.648 5.730 627 HG22 VAL 77 HG22 VAL 77 -4.686 12.059 5.025 628 HG23 VAL 77 HG23 VAL 77 -4.766 11.784 6.765 629 HA PRO 78 HA PRO 78 -3.616 12.155 0.771 630 HB2 PRO 78 HB2 PRO 78 -5.489 10.097 1.190 631 HB3 PRO 78 HB1 PRO 78 -3.877 9.903 0.482 632 HG2 PRO 78 HG2 PRO 78 -4.776 9.428 3.263 633 HG3 PRO 78 HG1 PRO 78 -3.588 8.544 2.280 634 HD2 PRO 78 HD2 PRO 78 -2.785 10.201 4.190 635 HD3 PRO 78 HD1 PRO 78 -1.922 10.130 2.643 636 H THR 79 HN THR 79 -4.842 13.907 0.572 637 HA THR 79 HA THR 79 -7.393 14.047 2.032 638 HB THR 79 HB THR 79 -7.300 16.454 1.679 639 HG1 THR 79 HG1 THR 79 -5.036 17.129 0.855 640 HG21 THR 79 HG21 THR 79 -4.687 15.392 2.747 641 HG22 THR 79 HG22 THR 79 -6.188 15.542 3.666 642 HG23 THR 79 HG23 THR 79 -5.366 16.988 3.081 643 H ILE 80 HN ILE 80 -5.940 13.662 -0.967 644 HA ILE 80 HA ILE 80 -8.023 14.765 -2.612 645 HB ILE 80 HB ILE 80 -6.044 12.845 -3.716 646 HG12 ILE 80 HG12 ILE 80 -5.025 14.602 -1.964 647 HG13 ILE 80 HG11 ILE 80 -4.177 14.130 -3.426 648 HG21 ILE 80 HG21 ILE 80 -7.702 13.900 -5.150 649 HG22 ILE 80 HG22 ILE 80 -6.065 14.382 -5.595 650 HG23 ILE 80 HG23 ILE 80 -7.098 15.491 -4.689 651 HD11 ILE 80 HD11 ILE 80 -5.976 16.494 -3.520 652 HD12 ILE 80 HD12 ILE 80 -4.496 16.157 -4.422 653 HD13 ILE 80 HD13 ILE 80 -4.408 16.636 -2.727 654 H PHE 81 HN PHE 81 -8.152 12.241 -0.680 655 HA PHE 81 HA PHE 81 -8.753 9.923 -1.947 656 HB2 PHE 81 HB2 PHE 81 -9.818 11.217 0.500 657 HB3 PHE 81 HB1 PHE 81 -10.667 9.804 -0.105 658 HD1 PHE 81 HD1 PHE 81 -7.624 8.906 -1.151 659 HD2 PHE 81 HD2 PHE 81 -9.582 9.725 2.535 660 HE1 PHE 81 HE1 PHE 81 -6.035 7.455 0.003 661 HE2 PHE 81 HE2 PHE 81 -7.980 8.270 3.702 662 HZ PHE 81 HZ PHE 81 -6.198 7.137 2.433 663 H LEU 82 HN LEU 82 -10.851 12.747 -1.835 664 HA LEU 82 HA LEU 82 -12.297 11.810 -4.108 665 HB2 LEU 82 HB2 LEU 82 -13.298 11.133 -1.515 666 HB3 LEU 82 HB1 LEU 82 -14.387 12.295 -2.239 667 HG LEU 82 HG LEU 82 -14.263 9.492 -2.660 668 HD11 LEU 82 HD11 LEU 82 -16.234 11.049 -2.514 669 HD12 LEU 82 HD12 LEU 82 -16.321 9.815 -3.770 670 HD13 LEU 82 HD13 LEU 82 -15.921 11.478 -4.193 671 HD21 LEU 82 HD21 LEU 82 -13.732 11.015 -5.216 672 HD22 LEU 82 HD22 LEU 82 -14.122 9.307 -5.081 673 HD23 LEU 82 HD23 LEU 82 -12.604 9.917 -4.425 674 H GLU 83 HN GLU 83 -14.248 13.341 -4.481 675 HA GLU 83 HA GLU 83 -13.260 15.998 -4.584 676 HB2 GLU 83 HB2 GLU 83 -14.663 15.034 -6.326 677 HB3 GLU 83 HB1 GLU 83 -15.962 14.798 -5.158 678 HG2 GLU 83 HG2 GLU 83 -16.194 17.187 -4.893 679 HG3 GLU 83 HG1 GLU 83 -14.867 17.468 -6.021 680 H LEU 84 HN LEU 84 -15.610 14.320 -2.637 681 HA LEU 84 HA LEU 84 -16.860 16.523 -1.438 682 HB2 LEU 84 HB2 LEU 84 -17.641 14.119 -1.517 683 HB3 LEU 84 HB1 LEU 84 -16.524 13.789 -0.212 684 HG LEU 84 HG LEU 84 -19.052 14.232 0.281 685 HD11 LEU 84 HD11 LEU 84 -16.751 15.354 1.853 686 HD12 LEU 84 HD12 LEU 84 -17.552 13.794 2.050 687 HD13 LEU 84 HD13 LEU 84 -18.401 15.281 2.470 688 HD21 LEU 84 HD21 LEU 84 -19.563 16.548 0.804 689 HD22 LEU 84 HD22 LEU 84 -19.169 16.375 -0.906 690 HD23 LEU 84 HD23 LEU 84 -17.984 17.051 0.211 691 H VAL 85 HN VAL 85 -13.952 14.716 -0.420 692 HA VAL 85 HA VAL 85 -13.828 16.074 2.086 693 HB VAL 85 HB VAL 85 -11.338 15.190 1.917 694 HG11 VAL 85 HG11 VAL 85 -12.807 14.527 3.651 695 HG12 VAL 85 HG12 VAL 85 -12.172 13.052 2.921 696 HG13 VAL 85 HG13 VAL 85 -13.808 13.593 2.540 697 HG21 VAL 85 HG21 VAL 85 -12.831 13.269 0.136 698 HG22 VAL 85 HG22 VAL 85 -11.156 13.135 0.678 699 HG23 VAL 85 HG23 VAL 85 -11.626 14.428 -0.428 700 HA PRO 86 HA PRO 86 -11.986 19.756 0.343 701 HB2 PRO 86 HB2 PRO 86 -12.020 20.789 3.056 702 HB3 PRO 86 HB1 PRO 86 -13.019 21.273 1.675 703 HG2 PRO 86 HG2 PRO 86 -13.972 19.979 3.883 704 HG3 PRO 86 HG1 PRO 86 -14.743 19.961 2.287 705 HD2 PRO 86 HD2 PRO 86 -13.110 17.857 3.608 706 HD3 PRO 86 HD1 PRO 86 -14.470 17.705 2.490 707 H ARG 87 HN ARG 87 -10.012 21.011 0.809 708 HA ARG 87 HA ARG 87 -8.161 20.037 2.761 709 HB2 ARG 87 HB2 ARG 87 -6.412 19.465 1.015 710 HB3 ARG 87 HB1 ARG 87 -7.710 18.302 1.223 711 HG2 ARG 87 HG2 ARG 87 -8.616 20.016 -0.772 712 HG3 ARG 87 HG1 ARG 87 -6.906 19.748 -1.130 713 HD2 ARG 87 HD2 ARG 87 -7.277 17.324 -0.965 714 HD3 ARG 87 HD1 ARG 87 -8.985 17.620 -0.658 715 HE ARG 87 HE ARG 87 -7.773 18.578 -3.151 716 HH11 ARG 87 HH11 ARG 87 -10.059 16.525 -1.488 717 HH12 ARG 87 HH12 ARG 87 -10.865 16.017 -2.937 718 HH21 ARG 87 HH21 ARG 87 -8.824 17.940 -5.068 719 HH22 ARG 87 HH22 ARG 87 -10.163 16.847 -4.990 720 H5' DG 1 H5' G 1 31.665 -0.528 -7.353 721 H5'' DG 1 H5'' G 1 30.595 -1.070 -8.663 722 H4' DG 1 H4' G 1 31.292 -2.942 -7.293 723 H3' DG 1 H3' G 1 28.785 -2.718 -8.123 724 H2' DG 1 H2' G 1 27.889 -1.400 -6.336 725 H2'' DG 1 H2'' G 1 27.492 -3.019 -5.777 726 H1' DG 1 H1' G 1 29.319 -3.101 -4.262 727 H8 DG 1 H8 G 1 28.439 0.459 -5.449 728 H1 DG 1 H1 G 1 29.459 -0.215 0.845 729 H21 DG 1 H21 G 1 30.335 -3.474 0.051 730 H22 DG 1 H22 G 1 30.128 -2.263 1.294 731 HO5' DG 1 H5T G 1 29.781 0.019 -6.182 732 H5' DC 2 H5' C 2 29.632 -5.916 -4.947 733 H5'' DC 2 H5'' C 2 29.195 -7.452 -5.719 734 H4' DC 2 H4' C 2 29.092 -7.890 -3.434 735 H3' DC 2 H3' C 2 26.843 -8.385 -4.745 736 H2' DC 2 H2' C 2 25.791 -6.241 -4.558 737 H2'' DC 2 H2'' C 2 25.090 -7.067 -3.174 738 H1' DC 2 H1' C 2 26.561 -6.031 -1.628 739 H41 DC 2 H41 C 2 25.586 -0.020 -4.251 740 H42 DC 2 H42 C 2 25.712 0.168 -2.524 741 H5 DC 2 H5 C 2 25.885 -2.187 -5.359 742 H6 DC 2 H6 C 2 26.389 -4.549 -5.007 743 H5' DT 3 H5' T 3 26.691 -8.489 -0.142 744 H5'' DT 3 H5'' T 3 26.248 -10.179 0.173 745 H4' DT 3 H4' T 3 25.658 -9.062 2.122 746 H3' DT 3 H3' T 3 23.662 -10.354 0.949 747 H2' DT 3 H2' T 3 22.848 -8.614 -0.485 748 H2'' DT 3 H2'' T 3 21.802 -8.401 0.913 749 H1' DT 3 H1' T 3 23.062 -6.587 1.767 750 H3 DT 3 H3 T 3 23.160 -2.886 -0.708 751 H71 DT 3 H71 T 3 23.658 -7.060 -4.088 752 H72 DT 3 H72 T 3 22.183 -6.084 -4.293 753 H73 DT 3 H73 T 3 23.776 -5.368 -4.632 754 H6 DT 3 H6 T 3 23.571 -7.523 -1.756 755 H5' DT 4 H5' T 4 22.724 -7.482 4.414 756 H5'' DT 4 H5'' T 4 22.107 -8.635 5.609 757 H4' DT 4 H4' T 4 21.352 -6.573 6.364 758 H3' DT 4 H3' T 4 19.429 -8.340 5.922 759 H2' DT 4 H2' T 4 18.959 -7.857 3.622 760 H2'' DT 4 H2'' T 4 17.760 -6.852 4.421 761 H1' DT 4 H1' T 4 19.040 -4.872 4.171 762 H3 DT 4 H3 T 4 19.819 -3.474 0.015 763 H71 DT 4 H71 T 4 19.185 -8.255 -0.970 764 H72 DT 4 H72 T 4 20.551 -8.807 0.029 765 H73 DT 4 H73 T 4 20.850 -7.801 -1.407 766 H6 DT 4 H6 T 4 19.951 -7.768 2.095 767 H5' DG 5 H5' G 5 18.281 -3.918 6.914 768 H5'' DG 5 H5'' G 5 17.378 -4.210 8.413 769 H4' DG 5 H4' G 5 16.656 -2.117 7.745 770 H3' DG 5 H3' G 5 14.709 -3.899 7.943 771 H2' DG 5 H2' G 5 14.730 -4.771 5.717 772 H2'' DG 5 H2'' G 5 13.499 -3.525 5.560 773 H1' DG 5 H1' G 5 14.983 -1.983 4.535 774 H8 DG 5 H8 G 5 16.350 -5.599 4.504 775 H1 DG 5 H1 G 5 16.568 -2.461 -1.088 776 H21 DG 5 H21 G 5 15.424 0.253 0.761 777 H22 DG 5 H22 G 5 15.914 -0.344 -0.809 778 H5' DT 6 H5' T 6 13.671 0.125 5.975 779 H5'' DT 6 H5'' T 6 12.467 0.792 7.097 780 H4' DT 6 H4' T 6 12.061 1.927 5.119 781 H3' DT 6 H3' T 6 9.979 0.569 6.029 782 H2' DT 6 H2' T 6 10.357 -1.521 4.940 783 H2'' DT 6 H2'' T 6 9.254 -0.756 3.812 784 H1' DT 6 H1' T 6 11.009 -0.108 2.334 785 H3 DT 6 H3 T 6 13.284 -3.408 0.376 786 H71 DT 6 H71 T 6 11.695 -5.901 4.275 787 H72 DT 6 H72 T 6 13.469 -5.824 4.387 788 H73 DT 6 H73 T 6 12.463 -4.867 5.502 789 H6 DT 6 H6 T 6 11.708 -2.716 4.826 790 H5' DG 7 H5' G 7 9.916 2.785 2.054 791 H5'' DG 7 H5'' G 7 8.490 3.837 2.132 792 H4' DG 7 H4' G 7 9.004 3.719 -0.133 793 H3' DG 7 H3' G 7 6.544 2.957 0.486 794 H2' DG 7 H2' G 7 6.939 0.626 0.873 795 H2'' DG 7 H2'' G 7 6.438 0.603 -0.813 796 H1' DG 7 H1' G 7 8.669 0.440 -1.618 797 H8 DG 7 H8 G 7 8.814 -0.197 2.202 798 H1 DG 7 H1 G 7 10.686 -5.030 -1.576 799 H21 DG 7 H21 G 7 10.066 -2.825 -4.183 800 H22 DG 7 H22 G 7 10.587 -4.418 -3.701 801 H5' DT 8 H5' T 8 7.924 1.415 -3.753 802 H5'' DT 8 H5'' T 8 6.865 2.498 -4.680 803 H4' DT 8 H4' T 8 7.218 0.721 -6.130 804 H3' DT 8 H3' T 8 4.675 1.150 -5.502 805 H2' DT 8 H2' T 8 4.505 -0.260 -3.568 806 H2'' DT 8 H2'' T 8 3.928 -1.349 -4.821 807 H1' DT 8 H1' T 8 6.013 -2.466 -5.011 808 H3 DT 8 H3 T 8 7.195 -4.873 -1.476 809 H71 DT 8 H71 T 8 6.456 -0.989 1.268 810 H72 DT 8 H72 T 8 5.170 -0.199 0.322 811 H73 DT 8 H73 T 8 4.840 -1.722 1.177 812 H6 DT 8 H6 T 8 5.533 -0.429 -1.964 813 H5' DG 9 H5' G 9 4.969 -3.598 -7.450 814 H5'' DG 9 H5'' G 9 4.224 -2.811 -8.855 815 H4' DG 9 H4' G 9 3.293 -4.908 -8.949 816 H3' DG 9 H3' G 9 1.489 -3.008 -8.522 817 H2' DG 9 H2' G 9 1.484 -2.977 -6.133 818 H2'' DG 9 H2'' G 9 0.158 -4.092 -6.443 819 H1' DG 9 H1' G 9 1.482 -6.013 -6.050 820 H8 DG 9 H8 G 9 2.192 -2.757 -4.334 821 H1 DG 9 H1 G 9 4.082 -7.927 -1.027 822 H21 DG 9 H21 G 9 3.723 -9.617 -4.016 823 H22 DG 9 H22 G 9 4.175 -9.696 -2.337 824 H5' DG 10 H5' G 10 0.486 -7.321 -8.093 825 H5'' DG 10 H5'' G 10 -0.522 -7.441 -9.546 826 H4' DG 10 H4' G 10 -0.938 -9.436 -8.493 827 H3' DG 10 H3' G 10 -3.116 -7.941 -8.718 828 H2' DG 10 H2' G 10 -3.023 -6.744 -6.650 829 H2'' DG 10 H2'' G 10 -4.036 -8.104 -6.173 830 H1' DG 10 H1' G 10 -2.279 -9.270 -5.165 831 H8 DG 10 H8 G 10 -1.769 -5.462 -5.497 832 H1 DG 10 H1 G 10 -0.002 -8.213 0.040 833 H21 DG 10 H21 G 10 -0.315 -11.163 -1.702 834 H22 DG 10 H22 G 10 0.084 -10.401 -0.185 835 H5' DG 11 H5' G 11 -2.981 -11.433 -5.846 836 H5'' DG 11 H5'' G 11 -3.567 -12.369 -7.234 837 H4' DG 11 H4' G 11 -3.672 -13.897 -5.524 838 H3' DG 11 H3' G 11 -6.035 -13.382 -6.596 839 H2' DG 11 H2' G 11 -6.734 -11.580 -5.209 840 H2'' DG 11 H2'' G 11 -7.463 -12.928 -4.349 841 H1' DG 11 H1' G 11 -5.759 -12.988 -2.697 842 H8 DG 11 H8 G 11 -5.906 -9.711 -4.719 843 H1 DG 11 H1 G 11 -5.109 -9.049 1.622 844 H21 DG 11 H21 G 11 -4.659 -12.474 1.610 845 H22 DG 11 H22 G 11 -4.694 -10.993 2.544 846 H5' DC 12 H5' C 12 -5.827 -16.047 -2.848 847 H5'' DC 12 H5'' C 12 -6.414 -17.579 -3.526 848 H4' DC 12 H4' C 12 -6.675 -17.809 -1.224 849 H3' DC 12 H3' C 12 -8.895 -18.148 -2.628 850 H2' DC 12 H2' C 12 -9.695 -15.897 -2.668 851 H2'' DC 12 H2'' C 12 -10.557 -16.520 -1.270 852 H1' DC 12 H1' C 12 -9.053 -15.516 0.278 853 H41 DC 12 H41 C 12 -9.259 -9.716 -2.905 854 H42 DC 12 H42 C 12 -9.207 -9.384 -1.194 855 H5 DC 12 H5 C 12 -9.102 -11.981 -3.798 856 H6 DC 12 H6 C 12 -8.825 -14.331 -3.223 857 H5' DA 13 H5' A 13 -9.288 -17.994 1.969 858 H5'' DA 13 H5'' A 13 -9.917 -19.610 2.346 859 H4' DA 13 H4' A 13 -10.494 -18.308 4.185 860 H3' DA 13 H3' A 13 -12.543 -19.494 3.001 861 H2' DA 13 H2' A 13 -13.129 -17.804 1.411 862 H2'' DA 13 H2'' A 13 -14.205 -17.383 2.736 863 H1' DA 13 H1' A 13 -12.820 -15.616 3.494 864 H8 DA 13 H8 A 13 -12.060 -16.715 -0.145 865 H61 DA 13 H61 A 13 -11.967 -12.221 -2.052 866 H62 DA 13 H62 A 13 -12.068 -10.619 -1.355 867 H2 DA 13 H2 A 13 -12.534 -11.198 3.080 868 H5' DG 14 H5' G 14 -13.499 -16.390 6.409 869 H5'' DG 14 H5'' G 14 -14.283 -17.491 7.559 870 H4' DG 14 H4' G 14 -15.026 -15.382 8.189 871 H3' DG 14 H3' G 14 -16.965 -17.083 7.587 872 H2' DG 14 H2' G 14 -17.174 -16.642 5.247 873 H2'' DG 14 H2'' G 14 -18.407 -15.570 5.890 874 H1' DG 14 H1' G 14 -17.018 -13.641 5.711 875 H8 DG 14 H8 G 14 -15.876 -16.652 3.604 876 H1 DG 14 H1 G 14 -15.747 -10.959 0.652 877 H21 DG 14 H21 G 14 -16.546 -9.673 3.775 878 H22 DG 14 H22 G 14 -16.234 -9.349 2.081 879 H5' DC 15 H5' C 15 -18.261 -12.633 8.477 880 H5'' DC 15 H5'' C 15 -19.448 -12.887 9.770 881 H4' DC 15 H4' C 15 -20.005 -10.823 8.848 882 H3' DC 15 H3' C 15 -21.940 -12.640 8.820 883 H2' DC 15 H2' C 15 -21.583 -13.622 6.716 884 H2'' DC 15 H2'' C 15 -22.739 -12.386 6.251 885 H1' DC 15 H1' C 15 -21.079 -10.947 5.379 886 H41 DC 15 H41 C 15 -18.619 -16.018 1.968 887 H42 DC 15 H42 C 15 -18.448 -14.590 0.982 888 H5 DC 15 H5 C 15 -19.375 -15.918 4.289 889 H6 DC 15 H6 C 15 -20.175 -14.441 6.058 890 H5' DG 16 H5' G 16 -24.625 -8.175 8.634 891 H5'' DG 16 H5'' G 16 -26.211 -8.884 8.293 892 H4' DG 16 H4' G 16 -25.842 -6.599 7.364 893 H3' DG 16 H3' G 16 -27.290 -8.501 6.206 894 H2' DG 16 H2' G 16 -25.834 -9.545 4.828 895 H2'' DG 16 H2'' G 16 -26.377 -8.313 3.699 896 H1' DG 16 H1' G 16 -24.402 -7.053 3.938 897 H8 DG 16 H8 G 16 -23.119 -9.711 6.360 898 H1 DG 16 H1 G 16 -22.303 -11.234 0.196 899 H21 DG 16 H21 G 16 -23.832 -8.213 -0.488 900 H22 DG 16 H22 G 16 -23.074 -9.660 -1.113 901 H5' DC 17 H5' C 17 -24.169 -14.901 -6.417 902 H5'' DC 17 H5'' C 17 -22.816 -15.388 -7.452 903 H4' DC 17 H4' C 17 -23.131 -12.972 -7.427 904 H3' DC 17 H3' C 17 -20.698 -14.022 -7.424 905 H2' DC 17 H2' C 17 -20.384 -14.301 -5.064 906 H2'' DC 17 H2'' C 17 -19.636 -12.731 -5.312 907 H1' DC 17 H1' C 17 -21.521 -11.547 -4.498 908 H41 DC 17 H41 C 17 -21.769 -15.503 0.761 909 H42 DC 17 H42 C 17 -22.198 -13.900 1.308 910 H5 DC 17 H5 C 17 -21.493 -16.068 -1.573 911 H6 DC 17 H6 C 17 -21.442 -15.174 -3.843 912 H5' DG 18 H5' G 18 -20.969 -9.289 -6.955 913 H5'' DG 18 H5'' G 18 -19.704 -8.653 -8.019 914 H4' DG 18 H4' G 18 -20.180 -7.113 -6.208 915 H3' DG 18 H3' G 18 -17.687 -7.566 -6.987 916 H2' DG 18 H2' G 18 -17.163 -9.446 -5.608 917 H2'' DG 18 H2'' G 18 -16.554 -8.135 -4.608 918 H1' DG 18 H1' G 18 -18.451 -8.134 -3.193 919 H8 DG 18 H8 G 18 -18.113 -11.345 -5.302 920 H1 DG 18 H1 G 18 -19.261 -12.188 0.956 921 H21 DG 18 H21 G 18 -19.660 -8.747 1.036 922 H22 DG 18 H22 G 18 -19.679 -10.250 1.925 923 H5' DC 19 H5' C 19 -18.419 -5.255 -3.173 924 H5'' DC 19 H5'' C 19 -17.729 -3.647 -3.456 925 H4' DC 19 H4' C 19 -17.922 -3.840 -1.135 926 H3' DC 19 H3' C 19 -15.492 -3.255 -2.010 927 H2' DC 19 H2' C 19 -14.623 -5.470 -2.301 928 H2'' DC 19 H2'' C 19 -14.068 -5.116 -0.669 929 H1' DC 19 H1' C 19 -15.789 -6.361 0.355 930 H41 DC 19 H41 C 19 -15.000 -11.572 -3.678 931 H42 DC 19 H42 C 19 -15.244 -12.153 -2.053 932 H5 DC 19 H5 C 19 -15.096 -9.167 -4.216 933 H6 DC 19 H6 C 19 -15.431 -6.936 -3.293 934 H5' DT 20 H5' T 20 -15.881 -4.061 2.690 935 H5'' DT 20 H5'' T 20 -15.176 -2.560 3.324 936 H4' DT 20 H4' T 20 -14.971 -4.272 4.979 937 H3' DT 20 H3' T 20 -12.847 -2.778 4.464 938 H2' DT 20 H2' T 20 -11.902 -4.062 2.655 939 H2'' DT 20 H2'' T 20 -11.011 -4.705 4.028 940 H1' DT 20 H1' T 20 -12.368 -6.643 4.181 941 H3 DT 20 H3 T 20 -12.370 -9.481 0.780 942 H71 DT 20 H71 T 20 -12.692 -5.980 -2.325 943 H72 DT 20 H72 T 20 -11.093 -5.456 -1.746 944 H73 DT 20 H73 T 20 -12.545 -4.517 -1.323 945 H6 DT 20 H6 T 20 -12.543 -4.720 1.041 946 H5' DG 21 H5' G 21 -11.806 -6.733 7.414 947 H5'' DG 21 H5'' G 21 -11.276 -5.640 8.708 948 H4' DG 21 H4' G 21 -10.069 -7.599 9.069 949 H3' DG 21 H3' G 21 -8.574 -5.441 8.733 950 H2' DG 21 H2' G 21 -8.301 -5.507 6.351 951 H2'' DG 21 H2'' G 21 -6.850 -6.356 6.868 952 H1' DG 21 H1' G 21 -7.766 -8.493 6.422 953 H8 DG 21 H8 G 21 -9.227 -5.485 4.613 954 H1 DG 21 H1 G 21 -9.027 -10.890 1.155 955 H21 DG 21 H21 G 21 -8.264 -12.421 4.179 956 H22 DG 21 H22 G 21 -8.566 -12.619 2.466 957 H5' DC 22 H5' C 22 -6.489 -9.482 8.694 958 H5'' DC 22 H5'' C 22 -5.479 -9.395 10.150 959 H4' DC 22 H4' C 22 -4.537 -11.105 8.882 960 H3' DC 22 H3' C 22 -2.874 -9.125 9.486 961 H2' DC 22 H2' C 22 -3.209 -7.709 7.599 962 H2'' DC 22 H2'' C 22 -1.836 -8.654 7.034 963 H1' DC 22 H1' C 22 -3.157 -10.068 5.696 964 H41 DC 22 H41 C 22 -6.035 -4.826 2.849 965 H42 DC 22 H42 C 22 -5.961 -6.143 1.721 966 H5 DC 22 H5 C 22 -5.465 -5.222 5.293 967 H6 DC 22 H6 C 22 -4.566 -6.878 6.849 968 H5' DC 23 H5' C 23 -1.400 -12.343 6.265 969 H5'' DC 23 H5'' C 23 -0.482 -13.003 7.630 970 H4' DC 23 H4' C 23 0.481 -14.050 5.830 971 H3' DC 23 H3' C 23 2.208 -12.533 7.151 972 H2' DC 23 H2' C 23 1.936 -10.474 5.972 973 H2'' DC 23 H2'' C 23 3.281 -11.170 5.082 974 H1' DC 23 H1' C 23 1.924 -11.905 3.299 975 H41 DC 23 H41 C 23 -0.803 -5.940 2.838 976 H42 DC 23 H42 C 23 -0.642 -6.557 1.228 977 H5 DC 23 H5 C 23 -0.369 -7.295 4.823 978 H6 DC 23 H6 C 23 0.381 -9.461 5.625 979 H5' DC 24 H5' C 24 3.427 -14.330 3.081 980 H5'' DC 24 H5'' C 24 4.587 -15.477 3.772 981 H4' DC 24 H4' C 24 5.097 -15.477 1.517 982 H3' DC 24 H3' C 24 7.115 -14.756 3.080 983 H2' DC 24 H2' C 24 6.744 -12.393 3.149 984 H2'' DC 24 H2'' C 24 7.898 -12.504 1.829 985 H1' DC 24 H1' C 24 6.212 -12.330 0.160 986 H41 DC 24 H41 C 24 3.854 -6.954 3.152 987 H42 DC 24 H42 C 24 3.671 -6.736 1.427 988 H5 DC 24 H5 C 24 4.585 -9.090 4.116 989 H6 DC 24 H6 C 24 5.318 -11.355 3.601 990 H5' DA 25 H5' A 25 7.523 -14.163 -1.403 991 H5'' DA 25 H5'' A 25 8.758 -15.389 -1.748 992 H4' DA 25 H4' A 25 8.758 -14.049 -3.638 993 H3' DA 25 H3' A 25 11.105 -14.190 -2.419 994 H2' DA 25 H2' A 25 10.878 -12.337 -0.904 995 H2'' DA 25 H2'' A 25 11.712 -11.575 -2.250 996 H1' DA 25 H1' A 25 9.729 -10.624 -3.129 997 H8 DA 25 H8 A 25 9.322 -11.643 0.602 998 H61 DA 25 H61 A 25 7.558 -7.358 2.093 999 H62 DA 25 H62 A 25 7.119 -5.878 1.266 1000 H2 DA 25 H2 A 25 7.877 -6.603 -3.102 1001 H5' DC 26 H5' C 26 10.400 -11.107 -5.715 1002 H5'' DC 26 H5'' C 26 11.495 -11.770 -6.940 1003 H4' DC 26 H4' C 26 11.072 -9.629 -7.697 1004 H3' DC 26 H3' C 26 13.638 -10.108 -7.243 1005 H2' DC 26 H2' C 26 13.776 -9.433 -4.953 1006 H2'' DC 26 H2'' C 26 14.266 -7.949 -5.759 1007 H1' DC 26 H1' C 26 12.121 -6.950 -5.524 1008 H41 DC 26 H41 C 26 11.724 -8.521 0.879 1009 H42 DC 26 H42 C 26 11.118 -6.887 0.691 1010 H5 DC 26 H5 C 26 12.438 -9.883 -0.995 1011 H6 DC 26 H6 C 26 12.663 -9.964 -3.427 1012 H5' DA 27 H5' A 27 12.356 -5.746 -8.304 1013 H5'' DA 27 H5'' A 27 13.258 -5.552 -9.821 1014 H4' DA 27 H4' A 27 12.789 -3.380 -9.132 1015 H3' DA 27 H3' A 27 15.365 -3.888 -9.482 1016 H2' DA 27 H2' A 27 15.924 -4.647 -7.279 1017 H2'' DA 27 H2'' A 27 16.347 -2.946 -7.156 1018 H1' DA 27 H1' A 27 14.345 -2.384 -6.017 1019 H8 DA 27 H8 A 27 15.200 -6.150 -5.945 1020 H61 DA 27 H61 A 27 14.466 -6.830 -1.191 1021 H62 DA 27 H62 A 27 13.875 -5.805 0.102 1022 H2 DA 27 H2 A 27 12.947 -1.828 -1.768 1023 H5' DC 28 H5' C 28 14.143 0.061 -7.519 1024 H5'' DC 28 H5'' C 28 14.760 1.283 -8.650 1025 H4' DC 28 H4' C 28 14.480 2.435 -6.649 1026 H3' DC 28 H3' C 28 16.940 2.522 -7.619 1027 H2' DC 28 H2' C 28 17.856 0.575 -6.564 1028 H2'' DC 28 H2'' C 28 18.332 1.818 -5.415 1029 H1' DC 28 H1' C 28 16.571 1.313 -3.916 1030 H41 DC 28 H41 C 28 17.815 -5.175 -4.208 1031 H42 DC 28 H42 C 28 17.313 -4.822 -2.573 1032 H5 DC 28 H5 C 28 17.835 -3.509 -5.976 1033 H6 DC 28 H6 C 28 17.370 -1.174 -6.517 1034 H5' DA 29 H5' A 29 16.214 4.377 -3.339 1035 H5'' DA 29 H5'' A 29 16.774 6.037 -3.620 1036 H4' DA 29 H4' A 29 16.935 5.749 -1.319 1037 H3' DA 29 H3' A 29 19.208 6.444 -2.483 1038 H2' DA 29 H2' A 29 20.070 4.269 -2.994 1039 H2'' DA 29 H2'' A 29 20.857 4.585 -1.459 1040 H1' DA 29 H1' A 29 19.313 3.238 -0.238 1041 H8 DA 29 H8 A 29 19.269 2.564 -4.039 1042 H61 DA 29 H61 A 29 19.769 -2.256 -3.780 1043 H62 DA 29 H62 A 29 19.791 -3.400 -2.449 1044 H2 DA 29 H2 A 29 19.266 -0.992 1.301 1045 H5' DA 30 H5' A 30 19.250 5.273 1.983 1046 H5'' DA 30 H5'' A 30 19.879 6.744 2.745 1047 H4' DA 30 H4' A 30 20.198 5.078 4.332 1048 H3' DA 30 H3' A 30 22.417 6.357 3.658 1049 H2' DA 30 H2' A 30 23.131 4.984 1.828 1050 H2'' DA 30 H2'' A 30 24.029 4.255 3.152 1051 H1' DA 30 H1' A 30 22.505 2.454 3.384 1052 H8 DA 30 H8 A 30 21.825 4.251 0.008 1053 H61 DA 30 H61 A 30 22.332 0.324 -2.814 1054 H62 DA 30 H62 A 30 22.662 -1.360 -2.482 1055 H2 DA 30 H2 A 30 23.039 -1.725 1.993 1056 H5' DG 31 H5' G 31 22.869 2.473 6.236 1057 H5'' DG 31 H5'' G 31 23.468 3.228 7.725 1058 H4' DG 31 H4' G 31 24.106 0.997 7.912 1059 H3' DG 31 H3' G 31 26.100 2.741 8.043 1060 H2' DG 31 H2' G 31 26.661 2.881 5.725 1061 H2'' DG 31 H2'' G 31 27.790 1.638 6.252 1062 H1' DG 31 H1' G 31 26.463 -0.134 5.407 1063 H8 DG 31 H8 G 31 25.524 3.319 3.951 1064 H1 DG 31 H1 G 31 26.168 -1.470 -0.271 1065 H21 DG 31 H21 G 31 26.619 -3.452 2.534 1066 H22 DG 31 H22 G 31 26.532 -3.366 0.786 1067 H5' DC 32 H5' C 32 27.511 -1.664 7.458 1068 H5'' DC 32 H5'' C 32 28.269 -1.942 9.039 1069 H4' DC 32 H4' C 32 29.298 -3.485 7.645 1070 H3' DC 32 H3' C 32 30.977 -1.797 8.805 1071 HO3' DC 32 H3T C 32 31.309 -4.026 8.003 1072 H2' DC 32 H2' C 32 30.989 -0.058 7.163 1073 H2'' DC 32 H2'' C 32 32.387 -0.992 6.649 1074 H1' DC 32 H1' C 32 31.196 -2.075 4.900 1075 H41 DC 32 H41 C 32 28.586 3.598 2.736 1076 H42 DC 32 H42 C 32 28.681 2.526 1.359 1077 H5 DC 32 H5 C 32 29.185 2.896 4.982 1078 H6 DC 32 H6 C 32 29.906 1.014 6.358 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 -3.039 -5.441 -2.921 2 H2 MET 1 HT2 MET 1 -3.878 -6.512 -1.911 3 H3 MET 1 HT3 MET 1 -4.179 -4.851 -1.825 4 HA MET 1 HA MET 1 -4.800 -6.643 -4.093 5 HB2 MET 1 HB2 MET 1 -7.091 -6.243 -3.585 6 HB3 MET 1 HB1 MET 1 -6.322 -6.661 -2.064 7 HG2 MET 1 HG2 MET 1 -6.305 -4.389 -1.356 8 HG3 MET 1 HG1 MET 1 -6.822 -3.830 -2.945 9 HE1 MET 1 HE1 MET 1 -9.453 -6.227 -0.034 10 HE2 MET 1 HE2 MET 1 -7.738 -5.890 0.186 11 HE3 MET 1 HE3 MET 1 -8.261 -7.021 -1.061 12 H VAL 2 HN VAL 2 -5.895 -5.591 -5.844 13 HA VAL 2 HA VAL 2 -5.288 -2.710 -6.032 14 HB VAL 2 HB VAL 2 -5.513 -3.977 -8.617 15 HG11 VAL 2 HG11 VAL 2 -3.423 -2.354 -7.194 16 HG12 VAL 2 HG12 VAL 2 -4.563 -1.826 -8.430 17 HG13 VAL 2 HG13 VAL 2 -3.235 -2.905 -8.858 18 HG21 VAL 2 HG21 VAL 2 -3.375 -5.044 -6.781 19 HG22 VAL 2 HG22 VAL 2 -3.352 -5.198 -8.537 20 HG23 VAL 2 HG23 VAL 2 -4.633 -5.968 -7.601 21 H GLN 3 HN GLN 3 -7.679 -4.566 -5.404 22 HA GLN 3 HA GLN 3 -9.615 -4.238 -7.410 23 HB2 GLN 3 HB2 GLN 3 -9.958 -4.600 -4.423 24 HB3 GLN 3 HB1 GLN 3 -11.247 -4.764 -5.607 25 HG2 GLN 3 HG2 GLN 3 -10.275 -6.699 -6.549 26 HG3 GLN 3 HG1 GLN 3 -8.751 -6.432 -5.711 27 HE21 GLN 3 HE21 GLN 3 -11.902 -6.104 -4.219 28 HE22 GLN 3 HE22 GLN 3 -11.738 -7.448 -3.143 29 H SER 4 HN SER 4 -8.625 -2.178 -4.735 30 HA SER 4 HA SER 4 -9.589 0.171 -5.921 31 HB2 SER 4 HB2 SER 4 -11.690 0.482 -5.045 32 HB3 SER 4 HB1 SER 4 -11.644 -1.247 -4.886 33 HG SER 4 HG SER 4 -10.537 0.173 -2.778 34 H CYS 5 HN CYS 5 -9.113 2.039 -4.607 35 HA CYS 5 HA CYS 5 -6.930 1.620 -2.797 36 HB2 CYS 5 HB2 CYS 5 -8.180 4.307 -3.004 37 HB3 CYS 5 HB1 CYS 5 -6.483 3.846 -3.106 38 H SER 6 HN SER 6 -6.984 3.072 -0.710 39 HA SER 6 HA SER 6 -9.042 2.035 0.965 40 HB2 SER 6 HB2 SER 6 -7.177 4.199 1.842 41 HB3 SER 6 HB1 SER 6 -7.746 2.781 2.726 42 HG SER 6 HG SER 6 -6.351 1.507 1.617 43 H ALA 7 HN ALA 7 -9.014 4.651 -1.077 44 HA ALA 7 HA ALA 7 -10.453 6.561 0.490 45 HB1 ALA 7 HB1 ALA 7 -10.862 7.690 -1.658 46 HB2 ALA 7 HB2 ALA 7 -10.204 6.293 -2.509 47 HB3 ALA 7 HB3 ALA 7 -9.163 7.256 -1.462 48 H TYR 8 HN TYR 8 -12.729 7.270 -0.486 49 HA TYR 8 HA TYR 8 -14.293 4.798 -0.479 50 HB2 TYR 8 HB2 TYR 8 -16.175 6.132 0.337 51 HB3 TYR 8 HB1 TYR 8 -14.780 6.249 1.395 52 HD1 TYR 8 HD2 TYR 8 -13.548 8.363 1.598 53 HD2 TYR 8 HD1 TYR 8 -17.001 8.028 -0.867 54 HE1 TYR 8 HE2 TYR 8 -13.713 10.809 1.498 55 HE2 TYR 8 HE1 TYR 8 -17.180 10.469 -0.958 56 HH TYR 8 HH TYR 8 -16.386 12.432 0.616 57 H GLY 9 HN GLY 9 -14.538 4.217 -2.499 58 HA2 GLY 9 HA2 GLY 9 -16.129 4.340 -4.325 59 HA3 GLY 9 HA1 GLY 9 -15.936 6.080 -4.287 60 H CYS 10 HN CYS 10 -12.909 5.495 -3.979 61 HA CYS 10 HA CYS 10 -12.364 5.701 -6.776 62 HB2 CYS 10 HB2 CYS 10 -11.131 7.051 -5.128 63 HB3 CYS 10 HB1 CYS 10 -10.422 5.580 -4.468 64 H LYS 11 HN LYS 11 -13.236 3.457 -7.230 65 HA LYS 11 HA LYS 11 -11.267 1.392 -6.634 66 HB2 LYS 11 HB2 LYS 11 -12.855 -0.124 -7.866 67 HB3 LYS 11 HB1 LYS 11 -13.479 0.584 -6.386 68 HG2 LYS 11 HG2 LYS 11 -14.535 2.353 -7.916 69 HG3 LYS 11 HG1 LYS 11 -14.204 1.207 -9.220 70 HD2 LYS 11 HD2 LYS 11 -15.912 0.771 -6.772 71 HD3 LYS 11 HD1 LYS 11 -16.430 0.790 -8.458 72 HE2 LYS 11 HE2 LYS 11 -15.102 -1.236 -8.877 73 HE3 LYS 11 HE1 LYS 11 -14.597 -1.250 -7.189 74 HZ1 LYS 11 HZ1 LYS 11 -17.171 -1.248 -6.799 75 HZ2 LYS 11 HZ2 LYS 11 -16.343 -2.691 -7.110 76 HZ3 LYS 11 HZ3 LYS 11 -17.199 -1.919 -8.352 77 H ASN 12 HN ASN 12 -10.075 3.218 -7.954 78 HA ASN 12 HA ASN 12 -10.156 2.918 -10.825 79 HB2 ASN 12 HB2 ASN 12 -8.408 4.444 -8.950 80 HB3 ASN 12 HB1 ASN 12 -8.140 4.448 -10.684 81 HD21 ASN 12 HD21 ASN 12 -8.605 6.816 -9.375 82 HD22 ASN 12 HD22 ASN 12 -10.165 7.418 -9.819 83 H ARG 13 HN ARG 13 -9.709 0.542 -9.797 84 HA ARG 13 HA ARG 13 -7.413 -0.627 -9.172 85 HB2 ARG 13 HB2 ARG 13 -8.963 -2.226 -9.650 86 HB3 ARG 13 HB1 ARG 13 -9.587 -1.358 -11.038 87 HG2 ARG 13 HG2 ARG 13 -8.674 -3.495 -11.703 88 HG3 ARG 13 HG1 ARG 13 -7.717 -2.190 -12.398 89 HD2 ARG 13 HD2 ARG 13 -5.869 -2.846 -11.318 90 HD3 ARG 13 HD1 ARG 13 -6.738 -3.065 -9.802 91 HE ARG 13 HE ARG 13 -7.530 -5.231 -11.086 92 HH11 ARG 13 HH11 ARG 13 -4.318 -3.815 -11.013 93 HH12 ARG 13 HH12 ARG 13 -3.500 -5.340 -11.103 94 HH21 ARG 13 HH21 ARG 13 -6.426 -7.259 -11.207 95 HH22 ARG 13 HH22 ARG 13 -4.690 -7.286 -11.212 96 H TYR 14 HN TYR 14 -5.360 -0.701 -9.839 97 HA TYR 14 HA TYR 14 -3.910 0.811 -11.352 98 HB2 TYR 14 HB2 TYR 14 -3.469 -1.692 -10.342 99 HB3 TYR 14 HB1 TYR 14 -3.206 -1.942 -12.059 100 HD1 TYR 14 HD2 TYR 14 -1.834 0.437 -12.968 101 HD2 TYR 14 HD1 TYR 14 -1.454 -1.623 -9.267 102 HE1 TYR 14 HE2 TYR 14 0.452 1.303 -12.731 103 HE2 TYR 14 HE1 TYR 14 0.836 -0.769 -9.021 104 HH TYR 14 HH TYR 14 2.571 0.210 -10.146 105 H ASP 15 HN ASP 15 -4.343 1.752 -13.191 106 HA ASP 15 HA ASP 15 -4.807 0.077 -15.560 107 HB2 ASP 15 HB2 ASP 15 -6.883 1.235 -15.058 108 HB3 ASP 15 HB1 ASP 15 -6.028 2.759 -14.872 109 H LYS 16 HN LYS 16 -2.960 0.107 -16.575 110 HA LYS 16 HA LYS 16 -0.885 1.918 -16.306 111 HB2 LYS 16 HB2 LYS 16 0.161 0.447 -17.628 112 HB3 LYS 16 HB1 LYS 16 -1.354 -0.444 -17.670 113 HG2 LYS 16 HG2 LYS 16 -1.925 1.136 -19.655 114 HG3 LYS 16 HG1 LYS 16 -0.180 1.388 -19.718 115 HD2 LYS 16 HD2 LYS 16 0.241 -0.880 -20.161 116 HD3 LYS 16 HD1 LYS 16 -1.391 -1.358 -19.687 117 HE2 LYS 16 HE2 LYS 16 -0.996 0.529 -21.963 118 HE3 LYS 16 HE1 LYS 16 -0.754 -1.201 -22.213 119 HZ1 LYS 16 HZ1 LYS 16 -3.041 -1.473 -21.218 120 HZ2 LYS 16 HZ2 LYS 16 -2.981 -0.765 -22.753 121 HZ3 LYS 16 HZ3 LYS 16 -3.230 0.205 -21.385 122 H ASP 17 HN ASP 17 -3.735 2.133 -18.234 123 HA ASP 17 HA ASP 17 -2.761 4.027 -20.111 124 HB2 ASP 17 HB2 ASP 17 -5.517 3.138 -19.284 125 HB3 ASP 17 HB1 ASP 17 -5.278 4.425 -20.463 126 H LYS 18 HN LYS 18 -4.140 4.169 -16.944 127 HA LYS 18 HA LYS 18 -4.428 7.069 -17.050 128 HB2 LYS 18 HB2 LYS 18 -5.891 6.891 -15.294 129 HB3 LYS 18 HB1 LYS 18 -6.066 5.269 -15.947 130 HG2 LYS 18 HG2 LYS 18 -4.353 4.515 -14.291 131 HG3 LYS 18 HG1 LYS 18 -4.459 6.120 -13.567 132 HD2 LYS 18 HD2 LYS 18 -6.812 4.278 -13.955 133 HD3 LYS 18 HD1 LYS 18 -5.893 4.402 -12.454 134 HE2 LYS 18 HE2 LYS 18 -7.483 5.918 -11.945 135 HE3 LYS 18 HE1 LYS 18 -6.444 6.994 -12.878 136 HZ1 LYS 18 HZ1 LYS 18 -8.651 5.467 -14.123 137 HZ2 LYS 18 HZ2 LYS 18 -7.831 6.809 -14.743 138 HZ3 LYS 18 HZ3 LYS 18 -8.893 6.995 -13.440 139 HA PRO 19 HA PRO 19 -0.547 7.495 -14.988 140 HB2 PRO 19 HB2 PRO 19 -0.637 10.092 -14.326 141 HB3 PRO 19 HB1 PRO 19 -0.589 9.564 -16.020 142 HG2 PRO 19 HG2 PRO 19 -2.871 10.595 -14.436 143 HG3 PRO 19 HG1 PRO 19 -2.501 10.793 -16.158 144 HD2 PRO 19 HD2 PRO 19 -4.318 8.957 -15.064 145 HD3 PRO 19 HD1 PRO 19 -3.682 8.955 -16.720 146 H VAL 20 HN VAL 20 -1.390 6.027 -13.192 147 HA VAL 20 HA VAL 20 -1.017 7.473 -10.699 148 HB VAL 20 HB VAL 20 -2.818 6.602 -9.477 149 HG11 VAL 20 HG11 VAL 20 -3.584 8.457 -10.714 150 HG12 VAL 20 HG12 VAL 20 -4.870 7.250 -10.723 151 HG13 VAL 20 HG13 VAL 20 -3.857 7.470 -12.151 152 HG21 VAL 20 HG21 VAL 20 -3.305 4.719 -11.759 153 HG22 VAL 20 HG22 VAL 20 -4.529 5.041 -10.531 154 HG23 VAL 20 HG23 VAL 20 -2.972 4.351 -10.064 155 H SER 21 HN SER 21 0.279 6.407 -9.356 156 HA SER 21 HA SER 21 0.959 3.634 -10.039 157 HB2 SER 21 HB2 SER 21 2.638 5.282 -8.193 158 HB3 SER 21 HB1 SER 21 3.136 4.064 -9.371 159 HG SER 21 HG SER 21 2.505 5.623 -11.013 160 H PHE 22 HN PHE 22 1.497 2.235 -8.074 161 HA PHE 22 HA PHE 22 -0.417 2.920 -5.958 162 HB2 PHE 22 HB2 PHE 22 0.187 0.402 -7.362 163 HB3 PHE 22 HB1 PHE 22 -0.024 0.241 -5.624 164 HD1 PHE 22 HD2 PHE 22 -1.666 1.435 -8.725 165 HD2 PHE 22 HD1 PHE 22 -2.170 0.317 -4.654 166 HE1 PHE 22 HE2 PHE 22 -4.118 1.442 -9.028 167 HE2 PHE 22 HE1 PHE 22 -4.612 0.321 -4.948 168 HZ PHE 22 HZ PHE 22 -5.585 0.883 -7.135 169 H HIS 23 HN HIS 23 0.063 2.085 -3.826 170 HA HIS 23 HA HIS 23 2.834 1.616 -3.041 171 HB2 HIS 23 HB2 HIS 23 1.739 3.734 -1.386 172 HB3 HIS 23 HB1 HIS 23 3.319 3.620 -2.129 173 HD1 HIS 23 HD1 HIS 23 -0.191 4.462 -3.184 174 HD2 HIS 23 HD2 HIS 23 3.726 5.573 -3.975 175 HE1 HIS 23 HE1 HIS 23 -0.372 6.349 -4.783 176 HE2 HIS 23 HE2 HIS 23 2.028 6.908 -5.405 177 H LYS 24 HN LYS 24 2.814 1.663 -0.480 178 HA LYS 24 HA LYS 24 0.279 0.412 0.330 179 HB2 LYS 24 HB2 LYS 24 3.125 -0.146 1.221 180 HB3 LYS 24 HB1 LYS 24 1.706 -0.814 2.020 181 HG2 LYS 24 HG2 LYS 24 1.763 -1.214 -0.878 182 HG3 LYS 24 HG1 LYS 24 3.064 -2.017 0.001 183 HD2 LYS 24 HD2 LYS 24 0.550 -2.344 1.374 184 HD3 LYS 24 HD1 LYS 24 0.421 -2.889 -0.300 185 HE2 LYS 24 HE2 LYS 24 1.174 -4.585 1.471 186 HE3 LYS 24 HE1 LYS 24 2.086 -4.493 -0.032 187 HZ1 LYS 24 HZ1 LYS 24 2.852 -3.607 2.663 188 HZ2 LYS 24 HZ2 LYS 24 3.524 -2.836 1.324 189 HZ3 LYS 24 HZ3 LYS 24 3.742 -4.497 1.533 190 H PHE 25 HN PHE 25 -0.081 0.719 2.824 191 HA PHE 25 HA PHE 25 -0.116 3.453 3.490 192 HB2 PHE 25 HB2 PHE 25 -0.695 0.920 4.896 193 HB3 PHE 25 HB1 PHE 25 -0.206 2.239 5.941 194 HD1 PHE 25 HD2 PHE 25 -2.636 1.459 3.244 195 HD2 PHE 25 HD1 PHE 25 -1.782 3.737 6.714 196 HE1 PHE 25 HE2 PHE 25 -4.944 2.324 3.235 197 HE2 PHE 25 HE1 PHE 25 -4.083 4.583 6.735 198 HZ PHE 25 HZ PHE 25 -5.669 3.883 4.994 199 HA PRO 26 HA PRO 26 3.909 4.266 5.297 200 HB2 PRO 26 HB2 PRO 26 3.235 6.009 7.267 201 HB3 PRO 26 HB1 PRO 26 3.175 6.466 5.550 202 HG2 PRO 26 HG2 PRO 26 0.949 5.539 7.320 203 HG3 PRO 26 HG1 PRO 26 0.997 6.941 6.229 204 HD2 PRO 26 HD2 PRO 26 -0.180 4.681 5.466 205 HD3 PRO 26 HD1 PRO 26 0.790 5.631 4.329 206 H LEU 27 HN LEU 27 3.781 1.949 6.054 207 HA LEU 27 HA LEU 27 2.741 1.303 8.612 208 HB2 LEU 27 HB2 LEU 27 4.529 -0.044 6.635 209 HB3 LEU 27 HB1 LEU 27 4.311 -0.739 8.228 210 HG LEU 27 HG LEU 27 2.131 -0.195 6.202 211 HD11 LEU 27 HD11 LEU 27 3.504 -2.115 5.613 212 HD12 LEU 27 HD12 LEU 27 1.913 -2.643 6.163 213 HD13 LEU 27 HD13 LEU 27 3.308 -2.775 7.235 214 HD21 LEU 27 HD21 LEU 27 0.862 -1.633 7.982 215 HD22 LEU 27 HD22 LEU 27 1.036 0.109 8.200 216 HD23 LEU 27 HD23 LEU 27 2.093 -0.999 9.074 217 H THR 28 HN THR 28 5.665 2.667 7.513 218 HA THR 28 HA THR 28 7.076 2.027 9.959 219 HB THR 28 HB THR 28 8.993 3.114 8.859 220 HG1 THR 28 HG1 THR 28 8.009 3.435 6.389 221 HG21 THR 28 HG21 THR 28 8.655 0.782 8.373 222 HG22 THR 28 HG22 THR 28 9.065 1.580 6.852 223 HG23 THR 28 HG23 THR 28 7.382 1.160 7.205 224 H ARG 29 HN ARG 29 4.767 4.154 9.257 225 HA ARG 29 HA ARG 29 5.671 5.975 11.329 226 HB2 ARG 29 HB2 ARG 29 6.271 6.950 9.059 227 HB3 ARG 29 HB1 ARG 29 4.546 7.033 8.733 228 HG2 ARG 29 HG2 ARG 29 4.197 8.615 10.431 229 HG3 ARG 29 HG1 ARG 29 5.786 8.357 11.123 230 HD2 ARG 29 HD2 ARG 29 6.123 9.088 8.409 231 HD3 ARG 29 HD1 ARG 29 4.988 10.210 9.135 232 HE ARG 29 HE ARG 29 6.767 10.452 10.943 233 HH11 ARG 29 HH11 ARG 29 7.514 9.833 7.563 234 HH12 ARG 29 HH12 ARG 29 9.078 10.569 7.650 235 HH21 ARG 29 HH21 ARG 29 8.817 11.394 11.058 236 HH22 ARG 29 HH22 ARG 29 9.839 11.448 9.656 237 HA PRO 30 HA PRO 30 1.406 3.966 11.559 238 HB2 PRO 30 HB2 PRO 30 1.647 4.268 14.361 239 HB3 PRO 30 HB1 PRO 30 1.739 2.769 13.426 240 HG2 PRO 30 HG2 PRO 30 3.913 4.452 14.498 241 HG3 PRO 30 HG1 PRO 30 3.888 2.711 14.145 242 HD2 PRO 30 HD2 PRO 30 5.221 4.434 12.589 243 HD3 PRO 30 HD1 PRO 30 4.381 3.024 11.913 244 H SER 31 HN SER 31 2.529 6.545 13.820 245 HA SER 31 HA SER 31 0.077 7.656 14.425 246 HB2 SER 31 HB2 SER 31 2.119 9.695 13.951 247 HB3 SER 31 HB1 SER 31 1.366 9.196 15.468 248 HG SER 31 HG SER 31 3.230 8.319 15.871 249 H LEU 32 HN LEU 32 2.211 8.469 11.740 250 HA LEU 32 HA LEU 32 0.493 10.317 10.491 251 HB2 LEU 32 HB2 LEU 32 2.973 10.036 10.161 252 HB3 LEU 32 HB1 LEU 32 2.633 8.573 9.262 253 HG LEU 32 HG LEU 32 3.091 10.946 8.128 254 HD11 LEU 32 HD11 LEU 32 1.262 8.773 7.163 255 HD12 LEU 32 HD12 LEU 32 3.001 8.926 6.905 256 HD13 LEU 32 HD13 LEU 32 1.897 10.068 6.144 257 HD21 LEU 32 HD21 LEU 32 0.122 10.801 8.515 258 HD22 LEU 32 HD22 LEU 32 0.932 11.823 7.323 259 HD23 LEU 32 HD23 LEU 32 1.226 12.070 9.044 260 H CYS 33 HN CYS 33 0.868 6.847 10.356 261 HA CYS 33 HA CYS 33 -0.641 6.296 8.014 262 HB2 CYS 33 HB2 CYS 33 0.876 4.735 9.325 263 HB3 CYS 33 HB1 CYS 33 -0.389 4.665 10.551 264 HG CYS 33 HG CYS 33 -0.041 2.929 7.764 265 H LYS 34 HN LYS 34 -1.330 6.901 11.319 266 HA LYS 34 HA LYS 34 -3.991 6.000 11.401 267 HB2 LYS 34 HB2 LYS 34 -2.940 6.027 13.425 268 HB3 LYS 34 HB1 LYS 34 -2.144 7.557 13.110 269 HG2 LYS 34 HG2 LYS 34 -4.743 8.334 13.203 270 HG3 LYS 34 HG1 LYS 34 -4.701 7.017 14.391 271 HD2 LYS 34 HD2 LYS 34 -2.414 8.251 15.035 272 HD3 LYS 34 HD1 LYS 34 -3.330 9.636 14.417 273 HE2 LYS 34 HE2 LYS 34 -4.531 7.744 16.411 274 HE3 LYS 34 HE1 LYS 34 -3.516 9.087 16.927 275 HZ1 LYS 34 HZ1 LYS 34 -5.023 10.620 15.869 276 HZ2 LYS 34 HZ2 LYS 34 -5.885 9.645 16.945 277 HZ3 LYS 34 HZ3 LYS 34 -5.977 9.353 15.285 278 H GLU 35 HN GLU 35 -2.577 9.178 10.478 279 HA GLU 35 HA GLU 35 -5.180 10.397 10.806 280 HB2 GLU 35 HB2 GLU 35 -4.128 12.154 9.134 281 HB3 GLU 35 HB1 GLU 35 -3.802 12.178 10.845 282 HG2 GLU 35 HG2 GLU 35 -1.752 10.779 10.307 283 HG3 GLU 35 HG1 GLU 35 -2.042 11.243 8.634 284 H TRP 36 HN TRP 36 -3.668 8.442 8.439 285 HA TRP 36 HA TRP 36 -5.166 9.336 6.215 286 HB2 TRP 36 HB2 TRP 36 -4.022 6.599 6.821 287 HB3 TRP 36 HB1 TRP 36 -4.738 7.056 5.277 288 HD1 TRP 36 HD1 TRP 36 -2.443 9.455 7.181 289 HE1 TRP 36 HE1 TRP 36 -0.311 9.849 5.800 290 HE3 TRP 36 HE3 TRP 36 -3.212 5.970 3.505 291 HZ2 TRP 36 HZ2 TRP 36 0.904 8.793 3.481 292 HZ3 TRP 36 HZ3 TRP 36 -1.515 5.738 1.733 293 HH2 TRP 36 HH2 TRP 36 0.508 7.117 1.736 294 H GLU 37 HN GLU 37 -5.846 7.349 8.986 295 HA GLU 37 HA GLU 37 -8.255 6.170 8.038 296 HB2 GLU 37 HB2 GLU 37 -7.769 6.896 10.927 297 HB3 GLU 37 HB1 GLU 37 -8.672 5.533 10.277 298 HG2 GLU 37 HG2 GLU 37 -5.725 5.761 9.848 299 HG3 GLU 37 HG1 GLU 37 -6.378 5.147 11.360 300 H ALA 38 HN ALA 38 -7.384 9.236 9.427 301 HA ALA 38 HA ALA 38 -9.911 10.200 10.170 302 HB1 ALA 38 HB1 ALA 38 -7.819 11.195 10.948 303 HB2 ALA 38 HB2 ALA 38 -8.878 12.393 10.205 304 HB3 ALA 38 HB3 ALA 38 -7.490 11.769 9.314 305 H ALA 39 HN ALA 39 -8.284 9.960 7.112 306 HA ALA 39 HA ALA 39 -10.166 11.765 5.822 307 HB1 ALA 39 HB1 ALA 39 -7.769 11.677 5.141 308 HB2 ALA 39 HB2 ALA 39 -8.902 11.414 3.815 309 HB3 ALA 39 HB3 ALA 39 -8.050 10.046 4.536 310 H VAL 40 HN VAL 40 -9.724 8.422 6.495 311 HA VAL 40 HA VAL 40 -11.696 7.560 4.510 312 HB VAL 40 HB VAL 40 -10.587 5.757 6.619 313 HG11 VAL 40 HG11 VAL 40 -10.872 4.063 4.929 314 HG12 VAL 40 HG12 VAL 40 -11.234 5.289 3.713 315 HG13 VAL 40 HG13 VAL 40 -12.356 5.010 5.045 316 HG21 VAL 40 HG21 VAL 40 -8.639 6.963 5.690 317 HG22 VAL 40 HG22 VAL 40 -9.127 6.450 4.074 318 HG23 VAL 40 HG23 VAL 40 -8.641 5.250 5.267 319 H ARG 41 HN ARG 41 -12.661 9.362 6.266 320 HA ARG 41 HA ARG 41 -13.886 8.305 8.585 321 HB2 ARG 41 HB2 ARG 41 -15.090 10.386 8.709 322 HB3 ARG 41 HB1 ARG 41 -13.432 10.712 8.222 323 HG2 ARG 41 HG2 ARG 41 -15.364 10.340 6.029 324 HG3 ARG 41 HG1 ARG 41 -15.584 11.784 7.014 325 HD2 ARG 41 HD2 ARG 41 -13.111 10.958 5.500 326 HD3 ARG 41 HD1 ARG 41 -14.167 12.326 5.156 327 HE ARG 41 HE ARG 41 -12.166 12.143 7.277 328 HH11 ARG 41 HH11 ARG 41 -14.779 13.963 5.803 329 HH12 ARG 41 HH12 ARG 41 -14.365 15.447 6.607 330 HH21 ARG 41 HH21 ARG 41 -11.627 14.098 8.328 331 HH22 ARG 41 HH22 ARG 41 -12.579 15.517 8.032 332 H ARG 42 HN ARG 42 -14.518 7.285 5.618 333 HA ARG 42 HA ARG 42 -17.379 7.489 5.539 334 HB2 ARG 42 HB2 ARG 42 -15.653 7.069 3.590 335 HB3 ARG 42 HB1 ARG 42 -15.890 5.389 4.032 336 HG2 ARG 42 HG2 ARG 42 -17.456 5.650 2.384 337 HG3 ARG 42 HG1 ARG 42 -18.413 5.962 3.830 338 HD2 ARG 42 HD2 ARG 42 -17.082 8.221 2.389 339 HD3 ARG 42 HD1 ARG 42 -18.594 7.556 1.778 340 HE ARG 42 HE ARG 42 -18.565 8.344 4.578 341 HH11 ARG 42 HH11 ARG 42 -19.445 9.154 1.284 342 HH12 ARG 42 HH12 ARG 42 -20.531 10.421 1.758 343 HH21 ARG 42 HH21 ARG 42 -20.008 9.989 5.196 344 HH22 ARG 42 HH22 ARG 42 -20.867 10.885 3.985 345 H LYS 43 HN LYS 43 -18.876 5.847 5.958 346 HA LYS 43 HA LYS 43 -18.375 4.266 8.207 347 HB2 LYS 43 HB2 LYS 43 -20.589 3.672 8.102 348 HB3 LYS 43 HB1 LYS 43 -20.614 5.095 7.071 349 HG2 LYS 43 HG2 LYS 43 -20.018 3.003 5.349 350 HG3 LYS 43 HG1 LYS 43 -21.238 2.347 6.438 351 HD2 LYS 43 HD2 LYS 43 -22.309 4.769 5.900 352 HD3 LYS 43 HD1 LYS 43 -21.440 4.463 4.393 353 HE2 LYS 43 HE2 LYS 43 -22.563 2.203 4.344 354 HE3 LYS 43 HE1 LYS 43 -23.567 2.762 5.679 355 HZ1 LYS 43 HZ1 LYS 43 -24.276 4.624 4.228 356 HZ2 LYS 43 HZ2 LYS 43 -24.741 3.103 3.654 357 HZ3 LYS 43 HZ3 LYS 43 -23.439 3.907 2.946 358 H ASN 44 HN ASN 44 -18.259 3.483 4.780 359 HA ASN 44 HA ASN 44 -17.667 0.725 5.431 360 HB2 ASN 44 HB2 ASN 44 -17.627 0.441 2.889 361 HB3 ASN 44 HB1 ASN 44 -19.175 0.818 3.628 362 HD21 ASN 44 HD21 ASN 44 -18.174 1.191 0.890 363 HD22 ASN 44 HD22 ASN 44 -18.409 2.867 0.544 364 H PHE 45 HN PHE 45 -15.722 1.737 6.521 365 HA PHE 45 HA PHE 45 -13.500 2.705 5.162 366 HB2 PHE 45 HB2 PHE 45 -13.818 2.562 7.668 367 HB3 PHE 45 HB1 PHE 45 -13.444 0.851 7.562 368 HD1 PHE 45 HD1 PHE 45 -11.148 0.309 6.399 369 HD2 PHE 45 HD2 PHE 45 -12.100 4.043 8.189 370 HE1 PHE 45 HE1 PHE 45 -8.764 0.776 6.659 371 HE2 PHE 45 HE2 PHE 45 -9.710 4.527 8.448 372 HZ PHE 45 HZ PHE 45 -8.033 2.893 7.686 373 H LYS 46 HN LYS 46 -12.296 1.862 3.649 374 HA LYS 46 HA LYS 46 -12.600 -0.794 2.682 375 HB2 LYS 46 HB2 LYS 46 -11.544 1.691 1.803 376 HB3 LYS 46 HB1 LYS 46 -10.302 0.472 1.575 377 HG2 LYS 46 HG2 LYS 46 -11.346 -0.306 -0.211 378 HG3 LYS 46 HG1 LYS 46 -12.807 -0.587 0.730 379 HD2 LYS 46 HD2 LYS 46 -13.125 1.998 0.429 380 HD3 LYS 46 HD1 LYS 46 -12.067 1.745 -0.964 381 HE2 LYS 46 HE2 LYS 46 -14.785 0.597 -0.416 382 HE3 LYS 46 HE1 LYS 46 -14.221 1.486 -1.832 383 HZ1 LYS 46 HZ1 LYS 46 -12.791 -0.430 -2.370 384 HZ2 LYS 46 HZ2 LYS 46 -14.437 -0.835 -2.360 385 HZ3 LYS 46 HZ3 LYS 46 -13.453 -1.278 -1.061 386 HA PRO 47 HA PRO 47 -9.255 -3.258 4.244 387 HB2 PRO 47 HB2 PRO 47 -7.378 -2.544 2.052 388 HB3 PRO 47 HB1 PRO 47 -7.826 -4.138 2.695 389 HG2 PRO 47 HG2 PRO 47 -8.822 -3.309 0.394 390 HG3 PRO 47 HG1 PRO 47 -9.818 -4.211 1.553 391 HD2 PRO 47 HD2 PRO 47 -9.849 -1.308 0.909 392 HD3 PRO 47 HD1 PRO 47 -11.187 -2.368 1.359 393 H THR 48 HN THR 48 -7.231 -3.299 5.216 394 HA THR 48 HA THR 48 -6.669 -0.830 6.517 395 HB THR 48 HB THR 48 -5.405 -2.149 8.046 396 HG1 THR 48 HG1 THR 48 -5.044 -4.441 7.472 397 HG21 THR 48 HG21 THR 48 -7.079 -3.523 8.806 398 HG22 THR 48 HG22 THR 48 -7.448 -4.115 7.181 399 HG23 THR 48 HG23 THR 48 -7.981 -2.508 7.677 400 H LYS 49 HN LYS 49 -4.169 -0.973 7.250 401 HA LYS 49 HA LYS 49 -2.754 0.303 5.220 402 HB2 LYS 49 HB2 LYS 49 -0.781 -0.202 6.912 403 HB3 LYS 49 HB1 LYS 49 -2.014 1.001 7.250 404 HG2 LYS 49 HG2 LYS 49 -2.976 -1.451 8.244 405 HG3 LYS 49 HG1 LYS 49 -1.291 -1.306 8.749 406 HD2 LYS 49 HD2 LYS 49 -2.537 -0.234 10.444 407 HD3 LYS 49 HD1 LYS 49 -1.859 1.066 9.458 408 HE2 LYS 49 HE2 LYS 49 -4.411 0.246 8.423 409 HE3 LYS 49 HE1 LYS 49 -4.547 0.659 10.131 410 HZ1 LYS 49 HZ1 LYS 49 -3.437 2.779 9.624 411 HZ2 LYS 49 HZ2 LYS 49 -4.916 2.612 8.809 412 HZ3 LYS 49 HZ3 LYS 49 -3.457 2.389 7.981 413 H TYR 50 HN TYR 50 -3.258 -3.037 5.535 414 HA TYR 50 HA TYR 50 -0.613 -3.706 4.554 415 HB2 TYR 50 HB2 TYR 50 -3.115 -5.318 4.934 416 HB3 TYR 50 HB1 TYR 50 -1.633 -5.983 4.269 417 HD1 TYR 50 HD1 TYR 50 0.444 -5.929 5.696 418 HD2 TYR 50 HD2 TYR 50 -3.441 -5.175 7.242 419 HE1 TYR 50 HE1 TYR 50 1.243 -6.515 7.937 420 HE2 TYR 50 HE2 TYR 50 -2.647 -5.748 9.507 421 HH TYR 50 HH TYR 50 0.256 -7.402 10.015 422 H SER 51 HN SER 51 -3.716 -2.826 3.355 423 HA SER 51 HA SER 51 -3.303 -3.885 0.730 424 HB2 SER 51 HB2 SER 51 -5.382 -2.317 2.103 425 HB3 SER 51 HB1 SER 51 -5.219 -2.009 0.369 426 HG SER 51 HG SER 51 -6.617 -3.850 1.182 427 H SER 52 HN SER 52 -3.454 -2.205 -1.153 428 HA SER 52 HA SER 52 -1.341 -0.257 -0.610 429 HB2 SER 52 HB2 SER 52 -1.289 -0.691 -3.309 430 HB3 SER 52 HB1 SER 52 -0.273 -1.494 -2.118 431 HG SER 52 HG SER 52 -1.186 -3.232 -3.096 432 H ILE 53 HN ILE 53 -1.412 1.769 -1.549 433 HA ILE 53 HA ILE 53 -4.108 2.718 -2.282 434 HB ILE 53 HB ILE 53 -1.879 4.171 -0.802 435 HG12 ILE 53 HG12 ILE 53 -3.709 4.271 1.001 436 HG13 ILE 53 HG11 ILE 53 -4.504 2.996 0.091 437 HG21 ILE 53 HG21 ILE 53 -4.597 5.143 -1.631 438 HG22 ILE 53 HG22 ILE 53 -3.024 5.779 -2.134 439 HG23 ILE 53 HG23 ILE 53 -3.562 5.958 -0.457 440 HD11 ILE 53 HD11 ILE 53 -3.359 1.723 1.573 441 HD12 ILE 53 HD12 ILE 53 -2.060 2.904 1.756 442 HD13 ILE 53 HD13 ILE 53 -2.112 1.868 0.331 443 H CYS 54 HN CYS 54 -3.996 4.778 -3.725 444 HA CYS 54 HA CYS 54 -1.768 4.447 -5.600 445 HB2 CYS 54 HB2 CYS 54 -3.265 4.942 -7.417 446 HB3 CYS 54 HB1 CYS 54 -3.905 3.614 -6.471 447 H SER 55 HN SER 55 -1.193 6.241 -6.887 448 HA SER 55 HA SER 55 -0.166 8.356 -5.562 449 HB2 SER 55 HB2 SER 55 0.522 7.623 -7.777 450 HB3 SER 55 HB1 SER 55 -0.971 8.252 -8.467 451 HG SER 55 HG SER 55 0.005 10.085 -8.625 452 H GLU 56 HN GLU 56 -2.956 8.800 -7.694 453 HA GLU 56 HA GLU 56 -3.535 11.385 -7.519 454 HB2 GLU 56 HB2 GLU 56 -6.044 10.432 -7.437 455 HB3 GLU 56 HB1 GLU 56 -5.013 10.318 -8.863 456 HG2 GLU 56 HG2 GLU 56 -4.648 8.090 -8.586 457 HG3 GLU 56 HG1 GLU 56 -4.822 8.160 -6.852 458 H HIS 57 HN HIS 57 -3.698 9.379 -4.742 459 HA HIS 57 HA HIS 57 -5.646 11.066 -3.424 460 HB2 HIS 57 HB2 HIS 57 -4.116 8.644 -2.489 461 HB3 HIS 57 HB1 HIS 57 -5.304 9.503 -1.504 462 HD1 HIS 57 HD1 HIS 57 -7.618 9.936 -3.324 463 HD2 HIS 57 HD2 HIS 57 -5.328 6.471 -3.492 464 HE1 HIS 57 HE1 HIS 57 -9.060 8.191 -4.448 465 H PHE 58 HN PHE 58 -2.210 11.122 -3.687 466 HA PHE 58 HA PHE 58 -2.193 13.126 -1.526 467 HB2 PHE 58 HB2 PHE 58 0.443 12.033 -1.666 468 HB3 PHE 58 HB1 PHE 58 -0.684 11.989 -0.302 469 HD1 PHE 58 HD1 PHE 58 0.620 10.214 -3.193 470 HD2 PHE 58 HD2 PHE 58 -1.866 9.951 0.243 471 HE1 PHE 58 HE1 PHE 58 0.566 7.784 -3.428 472 HE2 PHE 58 HE2 PHE 58 -1.932 7.504 0.010 473 HZ PHE 58 HZ PHE 58 -0.711 6.417 -1.832 474 H THR 59 HN THR 59 -0.469 14.660 -1.731 475 HA THR 59 HA THR 59 -0.102 15.555 -4.412 476 HB THR 59 HB THR 59 1.553 17.141 -3.150 477 HG1 THR 59 HG1 THR 59 0.664 17.231 -0.859 478 HG21 THR 59 HG21 THR 59 -0.444 18.440 -2.289 479 HG22 THR 59 HG22 THR 59 -1.432 17.069 -2.796 480 HG23 THR 59 HG23 THR 59 -0.494 17.971 -3.988 481 HA PRO 60 HA PRO 60 3.571 13.495 -5.706 482 HB2 PRO 60 HB2 PRO 60 4.907 15.871 -6.525 483 HB3 PRO 60 HB1 PRO 60 3.892 14.841 -7.543 484 HG2 PRO 60 HG2 PRO 60 3.178 17.337 -6.106 485 HG3 PRO 60 HG1 PRO 60 2.634 16.748 -7.688 486 HD2 PRO 60 HD2 PRO 60 1.029 16.617 -5.589 487 HD3 PRO 60 HD1 PRO 60 1.123 15.252 -6.723 488 H ASP 61 HN ASP 61 3.779 16.471 -3.857 489 HA ASP 61 HA ASP 61 6.413 16.204 -2.887 490 HB2 ASP 61 HB2 ASP 61 4.057 17.420 -1.418 491 HB3 ASP 61 HB1 ASP 61 5.759 17.753 -1.127 492 H SER 62 HN SER 62 3.316 15.106 -1.706 493 HA SER 62 HA SER 62 4.323 13.928 0.708 494 HB2 SER 62 HB2 SER 62 1.672 14.252 -0.616 495 HB3 SER 62 HB1 SER 62 1.826 13.050 0.661 496 HG SER 62 HG SER 62 1.588 15.722 0.837 497 H PHE 63 HN PHE 63 4.455 12.954 -2.391 498 HA PHE 63 HA PHE 63 3.433 10.566 -2.852 499 HB2 PHE 63 HB2 PHE 63 5.997 11.722 -3.628 500 HB3 PHE 63 HB1 PHE 63 5.897 9.986 -3.719 501 HD1 PHE 63 HD2 PHE 63 2.861 9.964 -4.388 502 HD2 PHE 63 HD1 PHE 63 6.229 12.012 -5.992 503 HE1 PHE 63 HE2 PHE 63 1.724 10.126 -6.546 504 HE2 PHE 63 HE1 PHE 63 5.098 12.170 -8.171 505 HZ PHE 63 HZ PHE 63 2.835 11.230 -8.450 506 H LYS 64 HN LYS 64 6.809 10.388 -1.594 507 HA LYS 64 HA LYS 64 6.224 8.450 0.409 508 HB2 LYS 64 HB2 LYS 64 7.130 6.450 -0.741 509 HB3 LYS 64 HB1 LYS 64 5.632 7.041 -1.433 510 HG2 LYS 64 HG2 LYS 64 6.806 8.069 -3.260 511 HG3 LYS 64 HG1 LYS 64 8.358 7.627 -2.546 512 HD2 LYS 64 HD2 LYS 64 8.279 5.676 -3.595 513 HD3 LYS 64 HD1 LYS 64 6.783 5.279 -2.745 514 HE2 LYS 64 HE2 LYS 64 5.566 6.611 -4.502 515 HE3 LYS 64 HE1 LYS 64 7.087 6.686 -5.389 516 HZ1 LYS 64 HZ1 LYS 64 7.123 4.309 -5.560 517 HZ2 LYS 64 HZ2 LYS 64 5.625 4.856 -6.117 518 HZ3 LYS 64 HZ3 LYS 64 5.753 4.157 -4.575 519 H ARG 65 HN ARG 65 8.688 6.873 -0.550 520 HA ARG 65 HA ARG 65 10.564 7.961 1.186 521 HB2 ARG 65 HB2 ARG 65 12.174 6.406 -0.048 522 HB3 ARG 65 HB1 ARG 65 10.772 5.681 0.721 523 HG2 ARG 65 HG2 ARG 65 9.663 5.874 -1.598 524 HG3 ARG 65 HG1 ARG 65 11.309 6.101 -2.192 525 HD2 ARG 65 HD2 ARG 65 10.875 3.837 -0.350 526 HD3 ARG 65 HD1 ARG 65 10.129 3.699 -1.938 527 HE ARG 65 HE ARG 65 12.695 4.449 -2.480 528 HH11 ARG 65 HH11 ARG 65 11.254 1.825 -0.649 529 HH12 ARG 65 HH12 ARG 65 12.554 0.719 -0.951 530 HH21 ARG 65 HH21 ARG 65 14.411 2.994 -2.904 531 HH22 ARG 65 HH22 ARG 65 14.362 1.388 -2.254 532 H GLU 66 HN GLU 66 9.862 8.891 -2.029 533 HA GLU 66 HA GLU 66 12.434 9.987 -2.622 534 HB2 GLU 66 HB2 GLU 66 9.735 10.234 -3.961 535 HB3 GLU 66 HB1 GLU 66 11.103 11.222 -4.454 536 HG2 GLU 66 HG2 GLU 66 11.468 9.537 -5.876 537 HG3 GLU 66 HG1 GLU 66 12.251 8.795 -4.484 538 H SER 67 HN SER 67 10.435 10.712 -0.296 539 HA SER 67 HA SER 67 9.997 13.503 -0.480 540 HB2 SER 67 HB2 SER 67 8.636 12.241 0.993 541 HB3 SER 67 HB1 SER 67 10.009 11.516 1.808 542 HG SER 67 HG SER 67 10.147 14.199 2.024 543 H ASN 68 HN ASN 68 11.500 12.957 2.487 544 HA ASN 68 HA ASN 68 13.738 14.645 1.667 545 HB2 ASN 68 HB2 ASN 68 12.205 14.274 4.170 546 HB3 ASN 68 HB1 ASN 68 13.919 14.634 4.351 547 HD21 ASN 68 HD21 ASN 68 14.700 16.632 3.633 548 HD22 ASN 68 HD22 ASN 68 13.645 17.959 3.290 549 H ASN 69 HN ASN 69 13.426 12.150 4.221 550 HA ASN 69 HA ASN 69 16.135 11.341 3.515 551 HB2 ASN 69 HB2 ASN 69 16.401 10.468 5.693 552 HB3 ASN 69 HB1 ASN 69 15.520 11.975 5.903 553 HD21 ASN 69 HD21 ASN 69 15.643 8.746 6.677 554 HD22 ASN 69 HD22 ASN 69 14.034 8.544 7.280 555 H LYS 70 HN LYS 70 13.196 9.525 4.579 556 HA LYS 70 HA LYS 70 13.694 7.652 2.413 557 HB2 LYS 70 HB2 LYS 70 14.137 7.085 5.283 558 HB3 LYS 70 HB1 LYS 70 13.361 5.822 4.347 559 HG2 LYS 70 HG2 LYS 70 15.999 7.107 3.673 560 HG3 LYS 70 HG1 LYS 70 15.800 5.559 4.499 561 HD2 LYS 70 HD2 LYS 70 14.767 4.589 2.566 562 HD3 LYS 70 HD1 LYS 70 14.692 6.153 1.755 563 HE2 LYS 70 HE2 LYS 70 17.232 4.727 2.529 564 HE3 LYS 70 HE1 LYS 70 16.522 4.718 0.917 565 HZ1 LYS 70 HZ1 LYS 70 17.795 6.952 2.364 566 HZ2 LYS 70 HZ2 LYS 70 16.687 7.265 1.129 567 HZ3 LYS 70 HZ3 LYS 70 18.099 6.388 0.793 568 H LEU 71 HN LEU 71 11.416 9.358 4.160 569 HA LEU 71 HA LEU 71 9.331 7.708 3.015 570 HB2 LEU 71 HB2 LEU 71 10.018 7.259 5.649 571 HB3 LEU 71 HB1 LEU 71 8.643 8.338 5.774 572 HG LEU 71 HG LEU 71 8.690 5.522 5.226 573 HD11 LEU 71 HD11 LEU 71 6.253 5.794 5.602 574 HD12 LEU 71 HD12 LEU 71 6.499 7.542 5.639 575 HD13 LEU 71 HD13 LEU 71 7.255 6.515 6.860 576 HD21 LEU 71 HD21 LEU 71 8.592 5.871 2.903 577 HD22 LEU 71 HD22 LEU 71 7.534 7.273 3.069 578 HD23 LEU 71 HD23 LEU 71 6.910 5.654 3.391 579 H LEU 72 HN LEU 72 7.070 8.701 3.847 580 HA LEU 72 HA LEU 72 6.946 11.217 2.589 581 HB2 LEU 72 HB2 LEU 72 4.688 10.562 4.334 582 HB3 LEU 72 HB1 LEU 72 4.719 11.021 2.641 583 HG LEU 72 HG LEU 72 5.727 8.443 2.586 584 HD11 LEU 72 HD11 LEU 72 3.285 7.963 4.084 585 HD12 LEU 72 HD12 LEU 72 4.570 8.658 5.077 586 HD13 LEU 72 HD13 LEU 72 4.855 7.162 4.186 587 HD21 LEU 72 HD21 LEU 72 4.235 9.126 0.934 588 HD22 LEU 72 HD22 LEU 72 3.023 9.645 2.109 589 HD23 LEU 72 HD23 LEU 72 3.323 7.920 1.849 590 H LYS 73 HN LYS 73 5.379 12.848 3.666 591 HA LYS 73 HA LYS 73 6.867 14.080 5.787 592 HB2 LYS 73 HB2 LYS 73 4.246 14.977 4.571 593 HB3 LYS 73 HB1 LYS 73 5.349 15.955 5.513 594 HG2 LYS 73 HG2 LYS 73 5.632 16.636 3.285 595 HG3 LYS 73 HG1 LYS 73 7.025 15.614 3.627 596 HD2 LYS 73 HD2 LYS 73 4.779 14.113 2.588 597 HD3 LYS 73 HD1 LYS 73 5.290 15.393 1.486 598 HE2 LYS 73 HE2 LYS 73 7.474 14.544 1.346 599 HE3 LYS 73 HE1 LYS 73 7.253 13.517 2.759 600 HZ1 LYS 73 HZ1 LYS 73 7.070 12.028 1.044 601 HZ2 LYS 73 HZ2 LYS 73 6.309 13.127 0.010 602 HZ3 LYS 73 HZ3 LYS 73 5.443 12.422 1.284 603 H GLU 74 HN GLU 74 6.508 13.659 7.817 604 HA GLU 74 HA GLU 74 4.633 11.975 8.895 605 HB2 GLU 74 HB2 GLU 74 6.593 12.577 10.112 606 HB3 GLU 74 HB1 GLU 74 6.140 14.271 10.138 607 HG2 GLU 74 HG2 GLU 74 4.706 14.013 11.849 608 HG3 GLU 74 HG1 GLU 74 4.260 12.373 11.380 609 H ASN 75 HN ASN 75 4.265 15.321 8.134 610 HA ASN 75 HA ASN 75 1.643 15.389 9.460 611 HB2 ASN 75 HB2 ASN 75 3.691 17.366 8.843 612 HB3 ASN 75 HB1 ASN 75 2.061 17.894 8.454 613 HD21 ASN 75 HD21 ASN 75 2.614 15.594 10.982 614 HD22 ASN 75 HD22 ASN 75 2.288 16.658 12.305 615 H ALA 76 HN ALA 76 2.374 14.165 6.776 616 HA ALA 76 HA ALA 76 0.377 15.618 5.159 617 HB1 ALA 76 HB1 ALA 76 2.554 15.679 4.105 618 HB2 ALA 76 HB2 ALA 76 1.453 14.676 3.156 619 HB3 ALA 76 HB3 ALA 76 2.665 13.921 4.193 620 H VAL 77 HN VAL 77 -1.409 14.647 4.644 621 HA VAL 77 HA VAL 77 -1.544 11.728 4.566 622 HB VAL 77 HB VAL 77 -2.368 12.071 6.737 623 HG11 VAL 77 HG11 VAL 77 -2.534 14.579 6.439 624 HG12 VAL 77 HG12 VAL 77 -3.700 13.816 7.523 625 HG13 VAL 77 HG13 VAL 77 -4.190 14.294 5.893 626 HG21 VAL 77 HG21 VAL 77 -3.887 10.679 5.484 627 HG22 VAL 77 HG22 VAL 77 -4.784 12.098 4.939 628 HG23 VAL 77 HG23 VAL 77 -4.786 11.652 6.648 629 HA PRO 78 HA PRO 78 -3.546 12.349 0.661 630 HB2 PRO 78 HB2 PRO 78 -5.346 10.202 0.945 631 HB3 PRO 78 HB1 PRO 78 -3.720 10.111 0.246 632 HG2 PRO 78 HG2 PRO 78 -4.635 9.432 2.974 633 HG3 PRO 78 HG1 PRO 78 -3.378 8.678 1.972 634 HD2 PRO 78 HD2 PRO 78 -2.724 10.261 4.003 635 HD3 PRO 78 HD1 PRO 78 -1.803 10.300 2.489 636 H THR 79 HN THR 79 -4.803 14.088 0.570 637 HA THR 79 HA THR 79 -7.387 14.076 1.975 638 HB THR 79 HB THR 79 -7.365 16.501 1.661 639 HG1 THR 79 HG1 THR 79 -5.443 17.465 0.770 640 HG21 THR 79 HG21 THR 79 -4.701 15.580 2.721 641 HG22 THR 79 HG22 THR 79 -6.216 15.470 3.625 642 HG23 THR 79 HG23 THR 79 -5.573 17.051 3.170 643 H ILE 80 HN ILE 80 -5.912 13.792 -1.014 644 HA ILE 80 HA ILE 80 -7.977 14.883 -2.679 645 HB ILE 80 HB ILE 80 -5.979 12.962 -3.760 646 HG12 ILE 80 HG12 ILE 80 -4.971 14.688 -1.983 647 HG13 ILE 80 HG11 ILE 80 -4.114 14.258 -3.456 648 HG21 ILE 80 HG21 ILE 80 -7.552 13.969 -5.264 649 HG22 ILE 80 HG22 ILE 80 -5.941 14.604 -5.599 650 HG23 ILE 80 HG23 ILE 80 -7.111 15.584 -4.712 651 HD11 ILE 80 HD11 ILE 80 -4.074 16.660 -2.964 652 HD12 ILE 80 HD12 ILE 80 -5.831 16.701 -3.121 653 HD13 ILE 80 HD13 ILE 80 -4.827 16.292 -4.515 654 H PHE 81 HN PHE 81 -8.154 12.349 -0.756 655 HA PHE 81 HA PHE 81 -8.732 10.046 -2.062 656 HB2 PHE 81 HB2 PHE 81 -9.878 11.300 0.379 657 HB3 PHE 81 HB1 PHE 81 -10.684 9.882 -0.271 658 HD1 PHE 81 HD1 PHE 81 -7.475 9.248 -1.195 659 HD2 PHE 81 HD2 PHE 81 -9.796 9.580 2.351 660 HE1 PHE 81 HE1 PHE 81 -5.899 7.775 -0.041 661 HE2 PHE 81 HE2 PHE 81 -8.209 8.108 3.522 662 HZ PHE 81 HZ PHE 81 -6.255 7.202 2.322 663 H LEU 82 HN LEU 82 -10.911 12.838 -1.878 664 HA LEU 82 HA LEU 82 -12.217 12.004 -4.273 665 HB2 LEU 82 HB2 LEU 82 -13.310 11.129 -1.774 666 HB3 LEU 82 HB1 LEU 82 -14.414 12.275 -2.506 667 HG LEU 82 HG LEU 82 -14.115 9.507 -3.060 668 HD11 LEU 82 HD11 LEU 82 -15.798 11.557 -4.478 669 HD12 LEU 82 HD12 LEU 82 -16.195 10.821 -2.927 670 HD13 LEU 82 HD13 LEU 82 -16.093 9.823 -4.376 671 HD21 LEU 82 HD21 LEU 82 -13.547 11.189 -5.501 672 HD22 LEU 82 HD22 LEU 82 -13.840 9.459 -5.470 673 HD23 LEU 82 HD23 LEU 82 -12.394 10.115 -4.711 674 H GLU 83 HN GLU 83 -14.168 13.467 -4.685 675 HA GLU 83 HA GLU 83 -13.310 16.177 -4.525 676 HB2 GLU 83 HB2 GLU 83 -14.426 15.262 -6.486 677 HB3 GLU 83 HB1 GLU 83 -15.842 14.883 -5.513 678 HG2 GLU 83 HG2 GLU 83 -16.211 17.254 -5.118 679 HG3 GLU 83 HG1 GLU 83 -14.805 17.642 -6.107 680 H LEU 84 HN LEU 84 -15.812 14.266 -2.999 681 HA LEU 84 HA LEU 84 -17.264 16.354 -1.821 682 HB2 LEU 84 HB2 LEU 84 -17.931 13.920 -2.102 683 HB3 LEU 84 HB1 LEU 84 -16.955 13.578 -0.691 684 HG LEU 84 HG LEU 84 -19.564 13.929 -0.520 685 HD11 LEU 84 HD11 LEU 84 -17.517 14.945 1.436 686 HD12 LEU 84 HD12 LEU 84 -18.249 13.342 1.367 687 HD13 LEU 84 HD13 LEU 84 -19.224 14.738 1.821 688 HD21 LEU 84 HD21 LEU 84 -20.208 16.162 0.081 689 HD22 LEU 84 HD22 LEU 84 -19.491 16.182 -1.532 690 HD23 LEU 84 HD23 LEU 84 -18.558 16.742 -0.145 691 H VAL 85 HN VAL 85 -14.515 14.471 -0.519 692 HA VAL 85 HA VAL 85 -14.618 15.800 1.999 693 HB VAL 85 HB VAL 85 -12.169 14.904 2.156 694 HG11 VAL 85 HG11 VAL 85 -14.425 12.917 2.045 695 HG12 VAL 85 HG12 VAL 85 -14.219 14.090 3.348 696 HG13 VAL 85 HG13 VAL 85 -12.982 12.864 3.059 697 HG21 VAL 85 HG21 VAL 85 -13.245 13.131 -0.034 698 HG22 VAL 85 HG22 VAL 85 -11.678 13.004 0.771 699 HG23 VAL 85 HG23 VAL 85 -12.026 14.383 -0.275 700 HA PRO 86 HA PRO 86 -12.793 19.608 0.574 701 HB2 PRO 86 HB2 PRO 86 -12.527 20.119 3.469 702 HB3 PRO 86 HB1 PRO 86 -13.414 21.037 2.242 703 HG2 PRO 86 HG2 PRO 86 -14.667 19.574 4.091 704 HG3 PRO 86 HG1 PRO 86 -15.303 19.784 2.450 705 HD2 PRO 86 HD2 PRO 86 -13.936 17.420 3.644 706 HD3 PRO 86 HD1 PRO 86 -15.248 17.494 2.459 707 H ARG 87 HN ARG 87 -10.767 20.444 0.433 708 HA ARG 87 HA ARG 87 -8.623 19.593 2.155 709 HB2 ARG 87 HB2 ARG 87 -7.276 18.613 0.332 710 HB3 ARG 87 HB1 ARG 87 -8.742 17.687 0.629 711 HG2 ARG 87 HG2 ARG 87 -9.805 18.859 -1.283 712 HG3 ARG 87 HG1 ARG 87 -8.245 19.619 -1.618 713 HD2 ARG 87 HD2 ARG 87 -7.293 17.267 -1.701 714 HD3 ARG 87 HD1 ARG 87 -8.964 16.707 -1.745 715 HE ARG 87 HE ARG 87 -7.589 18.259 -3.824 716 HH11 ARG 87 HH11 ARG 87 -10.426 16.494 -2.756 717 HH12 ARG 87 HH12 ARG 87 -11.083 16.351 -4.355 718 HH21 ARG 87 HH21 ARG 87 -8.463 18.086 -5.904 719 HH22 ARG 87 HH22 ARG 87 -9.975 17.266 -6.146 720 H5' DG 1 H5' G 1 31.826 -0.717 -7.293 721 H5'' DG 1 H5'' G 1 31.028 -1.301 -8.767 722 H4' DG 1 H4' G 1 31.505 -3.204 -7.463 723 H3' DG 1 H3' G 1 29.009 -2.931 -8.302 724 H2' DG 1 H2' G 1 28.110 -1.664 -6.480 725 H2'' DG 1 H2'' G 1 27.701 -3.295 -5.967 726 H1' DG 1 H1' G 1 29.506 -3.427 -4.438 727 H8 DG 1 H8 G 1 28.750 0.168 -5.600 728 H1 DG 1 H1 G 1 29.507 -0.607 0.724 729 H21 DG 1 H21 G 1 30.289 -3.885 -0.080 730 H22 DG 1 H22 G 1 30.074 -2.690 1.176 731 HO5' DG 1 H5T G 1 29.970 0.096 -6.572 732 H5' DC 2 H5' C 2 29.726 -6.188 -5.159 733 H5'' DC 2 H5'' C 2 29.307 -7.692 -5.998 734 H4' DC 2 H4' C 2 29.082 -8.200 -3.738 735 H3' DC 2 H3' C 2 26.893 -8.599 -5.181 736 H2' DC 2 H2' C 2 25.870 -6.445 -4.967 737 H2'' DC 2 H2'' C 2 25.086 -7.312 -3.656 738 H1' DC 2 H1' C 2 26.494 -6.361 -1.996 739 H41 DC 2 H41 C 2 25.709 -0.260 -4.439 740 H42 DC 2 H42 C 2 25.825 -0.104 -2.704 741 H5 DC 2 H5 C 2 25.956 -2.384 -5.600 742 H6 DC 2 H6 C 2 26.415 -4.765 -5.316 743 H5' DT 3 H5' T 3 26.626 -8.816 -0.656 744 H5'' DT 3 H5'' T 3 26.172 -10.508 -0.375 745 H4' DT 3 H4' T 3 25.618 -9.439 1.609 746 H3' DT 3 H3' T 3 23.591 -10.668 0.421 747 H2' DT 3 H2' T 3 22.794 -8.877 -0.956 748 H2'' DT 3 H2'' T 3 21.758 -8.698 0.451 749 H1' DT 3 H1' T 3 23.056 -6.920 1.353 750 H3 DT 3 H3 T 3 23.175 -3.153 -1.006 751 H71 DT 3 H71 T 3 23.594 -7.236 -4.510 752 H72 DT 3 H72 T 3 22.161 -6.197 -4.694 753 H73 DT 3 H73 T 3 23.783 -5.537 -5.006 754 H6 DT 3 H6 T 3 23.516 -7.759 -2.202 755 H5' DT 4 H5' T 4 22.718 -7.838 3.980 756 H5'' DT 4 H5'' T 4 22.154 -9.081 5.113 757 H4' DT 4 H4' T 4 21.345 -7.114 6.023 758 H3' DT 4 H3' T 4 19.459 -8.871 5.418 759 H2' DT 4 H2' T 4 18.995 -8.202 3.169 760 H2'' DT 4 H2'' T 4 17.770 -7.292 4.038 761 H1' DT 4 H1' T 4 19.019 -5.272 3.970 762 H3 DT 4 H3 T 4 19.842 -3.526 -0.065 763 H71 DT 4 H71 T 4 19.167 -8.304 -1.312 764 H72 DT 4 H72 T 4 20.716 -7.663 -1.908 765 H73 DT 4 H73 T 4 20.688 -8.791 -0.527 766 H6 DT 4 H6 T 4 19.947 -7.973 1.661 767 H5' DG 5 H5' G 5 18.276 -4.639 6.787 768 H5'' DG 5 H5'' G 5 17.325 -4.991 8.243 769 H4' DG 5 H4' G 5 16.688 -2.839 7.665 770 H3' DG 5 H3' G 5 14.682 -4.565 7.756 771 H2' DG 5 H2' G 5 14.708 -5.337 5.491 772 H2'' DG 5 H2'' G 5 13.519 -4.049 5.377 773 H1' DG 5 H1' G 5 15.061 -2.509 4.441 774 H8 DG 5 H8 G 5 16.376 -6.137 4.303 775 H1 DG 5 H1 G 5 16.579 -2.869 -1.213 776 H21 DG 5 H21 G 5 15.463 -0.195 0.699 777 H22 DG 5 H22 G 5 15.940 -0.761 -0.884 778 H5' DT 6 H5' T 6 13.780 -0.422 5.924 779 H5'' DT 6 H5'' T 6 12.608 0.206 7.100 780 H4' DT 6 H4' T 6 12.223 1.474 5.193 781 H3' DT 6 H3' T 6 10.104 0.145 6.063 782 H2' DT 6 H2' T 6 10.401 -1.903 4.853 783 H2'' DT 6 H2'' T 6 9.303 -1.042 3.794 784 H1' DT 6 H1' T 6 11.053 -0.362 2.318 785 H3 DT 6 H3 T 6 13.233 -3.607 0.142 786 H71 DT 6 H71 T 6 11.618 -6.274 3.910 787 H72 DT 6 H72 T 6 12.427 -5.331 5.183 788 H73 DT 6 H73 T 6 13.394 -6.246 4.003 789 H6 DT 6 H6 T 6 11.715 -3.129 4.638 790 H5' DG 7 H5' G 7 10.026 2.490 2.119 791 H5'' DG 7 H5'' G 7 8.651 3.594 2.297 792 H4' DG 7 H4' G 7 9.024 3.519 0.008 793 H3' DG 7 H3' G 7 6.582 2.793 0.724 794 H2' DG 7 H2' G 7 6.938 0.439 1.026 795 H2'' DG 7 H2'' G 7 6.366 0.477 -0.636 796 H1' DG 7 H1' G 7 8.546 0.284 -1.546 797 H8 DG 7 H8 G 7 8.798 -0.463 2.245 798 H1 DG 7 H1 G 7 10.599 -5.182 -1.707 799 H21 DG 7 H21 G 7 9.929 -2.911 -4.232 800 H22 DG 7 H22 G 7 10.459 -4.520 -3.807 801 H5' DT 8 H5' T 8 7.862 1.294 -3.407 802 H5'' DT 8 H5'' T 8 6.886 2.421 -4.369 803 H4' DT 8 H4' T 8 7.241 0.685 -5.845 804 H3' DT 8 H3' T 8 4.683 1.097 -5.275 805 H2' DT 8 H2' T 8 4.465 -0.365 -3.381 806 H2'' DT 8 H2'' T 8 3.920 -1.419 -4.677 807 H1' DT 8 H1' T 8 6.010 -2.527 -4.848 808 H3 DT 8 H3 T 8 7.147 -5.037 -1.382 809 H71 DT 8 H71 T 8 4.739 -1.919 1.338 810 H72 DT 8 H72 T 8 6.405 -1.316 1.504 811 H73 DT 8 H73 T 8 5.212 -0.385 0.569 812 H6 DT 8 H6 T 8 5.464 -0.588 -1.738 813 H5' DG 9 H5' G 9 5.065 -3.556 -7.494 814 H5'' DG 9 H5'' G 9 4.250 -2.738 -8.841 815 H4' DG 9 H4' G 9 3.383 -4.868 -8.971 816 H3' DG 9 H3' G 9 1.555 -3.011 -8.454 817 H2' DG 9 H2' G 9 1.587 -3.039 -6.071 818 H2'' DG 9 H2'' G 9 0.283 -4.176 -6.380 819 H1' DG 9 H1' G 9 1.657 -6.073 -6.042 820 H8 DG 9 H8 G 9 2.378 -2.810 -4.332 821 H1 DG 9 H1 G 9 4.354 -7.975 -1.071 822 H21 DG 9 H21 G 9 3.924 -9.658 -4.041 823 H22 DG 9 H22 G 9 4.416 -9.730 -2.369 824 H5' DG 10 H5' G 10 0.711 -7.241 -8.068 825 H5'' DG 10 H5'' G 10 -0.270 -7.479 -9.526 826 H4' DG 10 H4' G 10 -0.526 -9.477 -8.421 827 H3' DG 10 H3' G 10 -2.816 -8.181 -8.748 828 H2' DG 10 H2' G 10 -2.867 -6.911 -6.714 829 H2'' DG 10 H2'' G 10 -3.788 -8.330 -6.224 830 H1' DG 10 H1' G 10 -1.969 -9.342 -5.151 831 H8 DG 10 H8 G 10 -1.685 -5.499 -5.502 832 H1 DG 10 H1 G 10 0.037 -8.112 0.112 833 H21 DG 10 H21 G 10 -0.118 -11.092 -1.608 834 H22 DG 10 H22 G 10 0.225 -10.303 -0.092 835 H5' DG 11 H5' G 11 -2.547 -11.561 -5.646 836 H5'' DG 11 H5'' G 11 -2.993 -12.565 -7.042 837 H4' DG 11 H4' G 11 -3.192 -14.051 -5.309 838 H3' DG 11 H3' G 11 -5.493 -13.588 -6.534 839 H2' DG 11 H2' G 11 -6.293 -11.764 -5.228 840 H2'' DG 11 H2'' G 11 -7.060 -13.103 -4.386 841 H1' DG 11 H1' G 11 -5.448 -13.127 -2.642 842 H8 DG 11 H8 G 11 -5.655 -9.862 -4.659 843 H1 DG 11 H1 G 11 -4.883 -9.173 1.681 844 H21 DG 11 H21 G 11 -4.321 -12.575 1.689 845 H22 DG 11 H22 G 11 -4.407 -11.096 2.613 846 H5' DC 12 H5' C 12 -5.430 -16.199 -2.748 847 H5'' DC 12 H5'' C 12 -5.965 -17.749 -3.430 848 H4' DC 12 H4' C 12 -6.325 -17.961 -1.139 849 H3' DC 12 H3' C 12 -8.470 -18.330 -2.649 850 H2' DC 12 H2' C 12 -9.288 -16.091 -2.744 851 H2'' DC 12 H2'' C 12 -10.213 -16.712 -1.387 852 H1' DC 12 H1' C 12 -8.792 -15.689 0.227 853 H41 DC 12 H41 C 12 -8.968 -9.873 -2.946 854 H42 DC 12 H42 C 12 -8.909 -9.545 -1.237 855 H5 DC 12 H5 C 12 -8.757 -12.150 -3.840 856 H6 DC 12 H6 C 12 -8.515 -14.503 -3.260 857 H5' DA 13 H5' A 13 -9.198 -18.043 1.922 858 H5'' DA 13 H5'' A 13 -9.775 -19.695 2.228 859 H4' DA 13 H4' A 13 -10.584 -18.478 4.026 860 H3' DA 13 H3' A 13 -12.466 -19.676 2.603 861 H2' DA 13 H2' A 13 -12.938 -17.949 1.018 862 H2'' DA 13 H2'' A 13 -14.155 -17.601 2.238 863 H1' DA 13 H1' A 13 -12.909 -15.833 3.193 864 H8 DA 13 H8 A 13 -11.830 -16.764 -0.405 865 H61 DA 13 H61 A 13 -11.572 -12.203 -2.108 866 H62 DA 13 H62 A 13 -11.720 -10.634 -1.346 867 H2 DA 13 H2 A 13 -12.536 -11.387 3.004 868 H5' DG 14 H5' G 14 -13.873 -16.755 6.050 869 H5'' DG 14 H5'' G 14 -14.748 -17.944 7.033 870 H4' DG 14 H4' G 14 -15.627 -15.887 7.676 871 H3' DG 14 H3' G 14 -17.422 -17.619 6.781 872 H2' DG 14 H2' G 14 -17.390 -17.071 4.457 873 H2'' DG 14 H2'' G 14 -18.717 -16.058 5.005 874 H1' DG 14 H1' G 14 -17.391 -14.095 5.058 875 H8 DG 14 H8 G 14 -15.963 -16.984 2.962 876 H1 DG 14 H1 G 14 -15.541 -11.150 0.337 877 H21 DG 14 H21 G 14 -16.674 -10.017 3.418 878 H22 DG 14 H22 G 14 -16.141 -9.606 1.805 879 H5' DC 15 H5' C 15 -19.057 -13.303 8.128 880 H5'' DC 15 H5'' C 15 -20.536 -13.728 9.009 881 H4' DC 15 H4' C 15 -20.760 -11.499 8.210 882 H3' DC 15 H3' C 15 -22.727 -13.228 7.771 883 H2' DC 15 H2' C 15 -22.080 -14.097 5.683 884 H2'' DC 15 H2'' C 15 -23.123 -12.794 5.138 885 H1' DC 15 H1' C 15 -21.312 -11.358 4.631 886 H41 DC 15 H41 C 15 -18.549 -16.282 1.262 887 H42 DC 15 H42 C 15 -18.218 -14.813 0.379 888 H5 DC 15 H5 C 15 -19.554 -16.297 3.469 889 H6 DC 15 H6 C 15 -20.576 -14.912 5.196 890 H5' DG 16 H5' G 16 -25.443 -8.788 7.602 891 H5'' DG 16 H5'' G 16 -26.916 -9.445 6.885 892 H4' DG 16 H4' G 16 -26.353 -7.074 6.283 893 H3' DG 16 H3' G 16 -27.620 -8.809 4.714 894 H2' DG 16 H2' G 16 -25.956 -9.781 3.522 895 H2'' DG 16 H2'' G 16 -26.272 -8.435 2.436 896 H1' DG 16 H1' G 16 -24.349 -7.269 3.126 897 H8 DG 16 H8 G 16 -23.481 -10.133 5.481 898 H1 DG 16 H1 G 16 -21.889 -11.267 -0.611 899 H21 DG 16 H21 G 16 -23.242 -8.155 -1.272 900 H22 DG 16 H22 G 16 -22.429 -9.576 -1.880 901 H5' DC 17 H5' C 17 -23.250 -14.517 -7.470 902 H5'' DC 17 H5'' C 17 -21.820 -15.040 -8.378 903 H4' DC 17 H4' C 17 -22.028 -12.606 -8.285 904 H3' DC 17 H3' C 17 -19.665 -13.782 -8.120 905 H2' DC 17 H2' C 17 -19.568 -14.170 -5.763 906 H2'' DC 17 H2'' C 17 -18.719 -12.638 -5.881 907 H1' DC 17 H1' C 17 -20.613 -11.383 -5.165 908 H41 DC 17 H41 C 17 -21.544 -15.591 -0.188 909 H42 DC 17 H42 C 17 -21.977 -14.014 0.421 910 H5 DC 17 H5 C 17 -21.015 -16.030 -2.492 911 H6 DC 17 H6 C 17 -20.713 -15.028 -4.692 912 H5' DG 18 H5' G 18 -19.922 -9.167 -7.480 913 H5'' DG 18 H5'' G 18 -18.605 -8.441 -8.416 914 H4' DG 18 H4' G 18 -19.263 -6.979 -6.610 915 H3' DG 18 H3' G 18 -16.699 -7.371 -7.156 916 H2' DG 18 H2' G 18 -16.290 -9.295 -5.791 917 H2'' DG 18 H2'' G 18 -15.788 -8.007 -4.704 918 H1' DG 18 H1' G 18 -17.821 -8.055 -3.480 919 H8 DG 18 H8 G 18 -17.205 -11.226 -5.582 920 H1 DG 18 H1 G 18 -19.056 -12.204 0.479 921 H21 DG 18 H21 G 18 -19.461 -8.751 0.587 922 H22 DG 18 H22 G 18 -19.568 -10.262 1.454 923 H5' DC 19 H5' C 19 -17.825 -5.276 -3.340 924 H5'' DC 19 H5'' C 19 -17.179 -3.630 -3.484 925 H4' DC 19 H4' C 19 -17.528 -3.931 -1.202 926 H3' DC 19 H3' C 19 -15.046 -3.288 -1.866 927 H2' DC 19 H2' C 19 -14.140 -5.481 -2.193 928 H2'' DC 19 H2'' C 19 -13.702 -5.194 -0.514 929 H1' DC 19 H1' C 19 -15.489 -6.502 0.330 930 H41 DC 19 H41 C 19 -14.306 -11.489 -3.881 931 H42 DC 19 H42 C 19 -14.746 -12.167 -2.338 932 H5 DC 19 H5 C 19 -14.350 -9.057 -4.289 933 H6 DC 19 H6 C 19 -14.760 -6.881 -3.273 934 H5' DT 20 H5' T 20 -15.663 -4.178 2.888 935 H5'' DT 20 H5'' T 20 -14.879 -2.722 3.530 936 H4' DT 20 H4' T 20 -14.782 -4.486 5.156 937 H3' DT 20 H3' T 20 -12.613 -3.034 4.710 938 H2' DT 20 H2' T 20 -11.660 -4.301 2.898 939 H2'' DT 20 H2'' T 20 -10.819 -5.001 4.274 940 H1' DT 20 H1' T 20 -12.219 -6.905 4.352 941 H3 DT 20 H3 T 20 -12.196 -9.633 0.861 942 H71 DT 20 H71 T 20 -11.718 -4.559 -0.954 943 H72 DT 20 H72 T 20 -12.541 -5.739 -2.000 944 H73 DT 20 H73 T 20 -10.795 -5.886 -1.697 945 H6 DT 20 H6 T 20 -12.269 -4.882 1.283 946 H5' DG 21 H5' G 21 -11.520 -7.190 7.434 947 H5'' DG 21 H5'' G 21 -11.112 -6.092 8.770 948 H4' DG 21 H4' G 21 -9.752 -7.935 9.139 949 H3' DG 21 H3' G 21 -8.429 -5.667 8.806 950 H2' DG 21 H2' G 21 -8.115 -5.720 6.439 951 H2'' DG 21 H2'' G 21 -6.612 -6.464 6.971 952 H1' DG 21 H1' G 21 -7.365 -8.661 6.508 953 H8 DG 21 H8 G 21 -8.927 -5.724 4.705 954 H1 DG 21 H1 G 21 -8.614 -11.114 1.240 955 H21 DG 21 H21 G 21 -7.821 -12.627 4.260 956 H22 DG 21 H22 G 21 -8.111 -12.832 2.545 957 H5' DC 22 H5' C 22 -6.182 -9.491 8.807 958 H5'' DC 22 H5'' C 22 -5.183 -9.424 10.272 959 H4' DC 22 H4' C 22 -4.191 -11.089 8.997 960 H3' DC 22 H3' C 22 -2.604 -9.049 9.597 961 H2' DC 22 H2' C 22 -2.994 -7.655 7.711 962 H2'' DC 22 H2'' C 22 -1.581 -8.537 7.151 963 H1' DC 22 H1' C 22 -2.850 -10.025 5.823 964 H41 DC 22 H41 C 22 -5.961 -4.963 2.889 965 H42 DC 22 H42 C 22 -5.818 -6.286 1.773 966 H5 DC 22 H5 C 22 -5.328 -5.271 5.323 967 H6 DC 22 H6 C 22 -4.360 -6.856 6.909 968 H5' DC 23 H5' C 23 -1.148 -12.169 6.441 969 H5'' DC 23 H5'' C 23 -0.205 -12.880 7.760 970 H4' DC 23 H4' C 23 0.668 -13.933 5.927 971 H3' DC 23 H3' C 23 2.492 -12.472 7.168 972 H2' DC 23 H2' C 23 2.212 -10.396 6.010 973 H2'' DC 23 H2'' C 23 3.504 -11.117 5.066 974 H1' DC 23 H1' C 23 2.052 -11.823 3.337 975 H41 DC 23 H41 C 23 -0.644 -5.835 2.964 976 H42 DC 23 H42 C 23 -0.541 -6.431 1.341 977 H5 DC 23 H5 C 23 -0.177 -7.195 4.924 978 H6 DC 23 H6 C 23 0.608 -9.352 5.706 979 H5' DC 24 H5' C 24 3.511 -14.196 2.956 980 H5'' DC 24 H5'' C 24 4.617 -15.402 3.644 981 H4' DC 24 H4' C 24 5.160 -15.389 1.394 982 H3' DC 24 H3' C 24 7.176 -14.753 2.999 983 H2' DC 24 H2' C 24 6.894 -12.383 3.092 984 H2'' DC 24 H2'' C 24 8.050 -12.514 1.773 985 H1' DC 24 H1' C 24 6.393 -12.255 0.101 986 H41 DC 24 H41 C 24 4.159 -6.871 3.140 987 H42 DC 24 H42 C 24 3.956 -6.625 1.419 988 H5 DC 24 H5 C 24 4.875 -9.003 4.086 989 H6 DC 24 H6 C 24 5.567 -11.275 3.554 990 H5' DA 25 H5' A 25 7.626 -14.253 -1.484 991 H5'' DA 25 H5'' A 25 8.863 -15.481 -1.808 992 H4' DA 25 H4' A 25 8.843 -14.175 -3.724 993 H3' DA 25 H3' A 25 11.207 -14.301 -2.534 994 H2' DA 25 H2' A 25 11.013 -12.424 -1.052 995 H2'' DA 25 H2'' A 25 11.820 -11.686 -2.427 996 H1' DA 25 H1' A 25 9.822 -10.729 -3.266 997 H8 DA 25 H8 A 25 9.532 -11.764 0.462 998 H61 DA 25 H61 A 25 7.705 -7.521 2.050 999 H62 DA 25 H62 A 25 7.220 -6.061 1.224 1000 H2 DA 25 H2 A 25 7.870 -6.735 -3.158 1001 H5' DC 26 H5' C 26 10.440 -11.316 -5.901 1002 H5'' DC 26 H5'' C 26 11.526 -12.004 -7.122 1003 H4' DC 26 H4' C 26 11.067 -9.890 -7.936 1004 H3' DC 26 H3' C 26 13.642 -10.336 -7.498 1005 H2' DC 26 H2' C 26 13.800 -9.588 -5.233 1006 H2'' DC 26 H2'' C 26 14.260 -8.122 -6.085 1007 H1' DC 26 H1' C 26 12.105 -7.137 -5.847 1008 H41 DC 26 H41 C 26 11.796 -8.615 0.601 1009 H42 DC 26 H42 C 26 11.143 -7.011 0.391 1010 H5 DC 26 H5 C 26 12.533 -9.985 -1.278 1011 H6 DC 26 H6 C 26 12.738 -10.095 -3.708 1012 H5' DA 27 H5' A 27 12.417 -6.004 -8.674 1013 H5'' DA 27 H5'' A 27 13.330 -5.786 -10.180 1014 H4' DA 27 H4' A 27 12.889 -3.624 -9.452 1015 H3' DA 27 H3' A 27 15.463 -4.149 -9.785 1016 H2' DA 27 H2' A 27 15.992 -4.963 -7.593 1017 H2'' DA 27 H2'' A 27 16.426 -3.270 -7.427 1018 H1' DA 27 H1' A 27 14.413 -2.716 -6.297 1019 H8 DA 27 H8 A 27 15.223 -6.499 -6.295 1020 H61 DA 27 H61 A 27 14.473 -7.238 -1.551 1021 H62 DA 27 H62 A 27 13.903 -6.218 -0.248 1022 H2 DA 27 H2 A 27 13.017 -2.205 -2.062 1023 H5' DC 28 H5' C 28 14.224 -0.246 -7.756 1024 H5'' DC 28 H5'' C 28 14.834 0.985 -8.875 1025 H4' DC 28 H4' C 28 14.528 2.143 -6.890 1026 H3' DC 28 H3' C 28 17.013 2.215 -7.807 1027 H2' DC 28 H2' C 28 17.895 0.268 -6.724 1028 H2'' DC 28 H2'' C 28 18.357 1.517 -5.578 1029 H1' DC 28 H1' C 28 16.556 1.038 -4.112 1030 H41 DC 28 H41 C 28 17.795 -5.459 -4.272 1031 H42 DC 28 H42 C 28 17.264 -5.064 -2.658 1032 H5 DC 28 H5 C 28 17.843 -3.812 -6.074 1033 H6 DC 28 H6 C 28 17.402 -1.486 -6.659 1034 H5' DA 29 H5' A 29 16.228 4.499 -3.553 1035 H5'' DA 29 H5'' A 29 17.127 5.994 -3.881 1036 H4' DA 29 H4' A 29 17.048 5.633 -1.516 1037 H3' DA 29 H3' A 29 19.350 6.296 -2.646 1038 H2' DA 29 H2' A 29 20.169 4.114 -3.189 1039 H2'' DA 29 H2'' A 29 20.947 4.384 -1.638 1040 H1' DA 29 H1' A 29 19.354 3.058 -0.459 1041 H8 DA 29 H8 A 29 19.305 2.419 -4.274 1042 H61 DA 29 H61 A 29 19.801 -2.406 -4.064 1043 H62 DA 29 H62 A 29 19.827 -3.556 -2.741 1044 H2 DA 29 H2 A 29 19.329 -1.188 1.034 1045 H5' DA 30 H5' A 30 19.341 4.887 1.733 1046 H5'' DA 30 H5'' A 30 19.897 6.366 2.536 1047 H4' DA 30 H4' A 30 20.249 4.707 4.111 1048 H3' DA 30 H3' A 30 22.450 6.027 3.461 1049 H2' DA 30 H2' A 30 23.201 4.677 1.628 1050 H2'' DA 30 H2'' A 30 24.103 3.956 2.954 1051 H1' DA 30 H1' A 30 22.607 2.124 3.164 1052 H8 DA 30 H8 A 30 21.978 3.947 -0.206 1053 H61 DA 30 H61 A 30 22.446 0.039 -3.061 1054 H62 DA 30 H62 A 30 22.739 -1.653 -2.752 1055 H2 DA 30 H2 A 30 23.063 -2.078 1.720 1056 H5' DG 31 H5' G 31 22.889 2.162 5.921 1057 H5'' DG 31 H5'' G 31 23.424 2.850 7.468 1058 H4' DG 31 H4' G 31 24.050 0.620 7.600 1059 H3' DG 31 H3' G 31 26.062 2.325 7.855 1060 H2' DG 31 H2' G 31 26.694 2.539 5.556 1061 H2'' DG 31 H2'' G 31 27.789 1.265 6.075 1062 H1' DG 31 H1' G 31 26.463 -0.461 5.125 1063 H8 DG 31 H8 G 31 25.651 3.051 3.766 1064 H1 DG 31 H1 G 31 26.169 -1.600 -0.618 1065 H21 DG 31 H21 G 31 26.564 -3.697 2.138 1066 H22 DG 31 H22 G 31 26.509 -3.571 0.396 1067 H5' DC 32 H5' C 32 27.322 -2.098 7.237 1068 H5'' DC 32 H5'' C 32 28.032 -2.450 8.826 1069 H4' DC 32 H4' C 32 28.988 -4.024 7.411 1070 H3' DC 32 H3' C 32 30.743 -2.479 8.655 1071 HO3' DC 32 H3T C 32 31.313 -4.265 6.521 1072 H2' DC 32 H2' C 32 30.907 -0.698 7.060 1073 H2'' DC 32 H2'' C 32 32.250 -1.711 6.548 1074 H1' DC 32 H1' C 32 31.036 -2.667 4.752 1075 H41 DC 32 H41 C 32 28.773 3.176 2.647 1076 H42 DC 32 H42 C 32 28.852 2.128 1.246 1077 H5 DC 32 H5 C 32 29.286 2.412 4.891 1078 H6 DC 32 H6 C 32 29.872 0.468 6.248 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 -3.103 -7.515 -3.400 2 H2 MET 1 HT2 MET 1 -4.753 -7.868 -3.268 3 H3 MET 1 HT3 MET 1 -3.670 -8.456 -2.112 4 HA MET 1 HA MET 1 -5.034 -6.486 -1.418 5 HB2 MET 1 HB2 MET 1 -2.019 -6.422 -1.377 6 HB3 MET 1 HB1 MET 1 -2.998 -5.297 -0.468 7 HG2 MET 1 HG2 MET 1 -2.282 -7.028 0.995 8 HG3 MET 1 HG1 MET 1 -4.013 -7.206 0.730 9 HE1 MET 1 HE1 MET 1 -1.821 -9.319 1.884 10 HE2 MET 1 HE2 MET 1 -2.291 -10.843 1.134 11 HE3 MET 1 HE3 MET 1 -3.514 -9.793 1.842 12 H VAL 2 HN VAL 2 -5.142 -6.132 -4.226 13 HA VAL 2 HA VAL 2 -4.447 -3.276 -4.412 14 HB VAL 2 HB VAL 2 -4.282 -4.159 -7.013 15 HG11 VAL 2 HG11 VAL 2 -2.112 -3.381 -6.972 16 HG12 VAL 2 HG12 VAL 2 -1.829 -3.935 -5.320 17 HG13 VAL 2 HG13 VAL 2 -2.856 -2.533 -5.618 18 HG21 VAL 2 HG21 VAL 2 -3.324 -6.277 -5.171 19 HG22 VAL 2 HG22 VAL 2 -2.391 -5.946 -6.627 20 HG23 VAL 2 HG23 VAL 2 -4.087 -6.408 -6.753 21 H GLN 3 HN GLN 3 -6.996 -4.903 -3.995 22 HA GLN 3 HA GLN 3 -8.478 -4.792 -6.375 23 HB2 GLN 3 HB2 GLN 3 -9.166 -5.088 -3.487 24 HB3 GLN 3 HB1 GLN 3 -10.463 -4.768 -4.637 25 HG2 GLN 3 HG2 GLN 3 -10.102 -6.759 -5.791 26 HG3 GLN 3 HG1 GLN 3 -8.471 -6.944 -5.155 27 HE21 GLN 3 HE21 GLN 3 -11.846 -7.402 -4.561 28 HE22 GLN 3 HE22 GLN 3 -11.681 -8.410 -3.166 29 H SER 4 HN SER 4 -7.945 -2.388 -3.841 30 HA SER 4 HA SER 4 -8.334 -0.237 -5.549 31 HB2 SER 4 HB2 SER 4 -10.754 -1.185 -4.234 32 HB3 SER 4 HB1 SER 4 -10.478 0.549 -4.107 33 HG SER 4 HG SER 4 -10.455 -0.961 -6.512 34 H CYS 5 HN CYS 5 -8.399 1.889 -4.409 35 HA CYS 5 HA CYS 5 -6.449 1.792 -2.316 36 HB2 CYS 5 HB2 CYS 5 -7.373 4.443 -2.603 37 HB3 CYS 5 HB1 CYS 5 -5.917 3.737 -3.298 38 H SER 6 HN SER 6 -6.737 3.167 -0.322 39 HA SER 6 HA SER 6 -8.994 2.264 1.130 40 HB2 SER 6 HB2 SER 6 -7.086 4.363 2.103 41 HB3 SER 6 HB1 SER 6 -7.855 3.053 3.001 42 HG SER 6 HG SER 6 -6.413 1.651 2.264 43 H ALA 7 HN ALA 7 -9.000 4.647 -1.054 44 HA ALA 7 HA ALA 7 -10.270 6.763 0.421 45 HB1 ALA 7 HB1 ALA 7 -9.008 7.285 -1.575 46 HB2 ALA 7 HB2 ALA 7 -10.697 7.741 -1.804 47 HB3 ALA 7 HB3 ALA 7 -10.072 6.269 -2.547 48 H TYR 8 HN TYR 8 -12.440 7.575 -0.731 49 HA TYR 8 HA TYR 8 -14.322 5.351 -0.394 50 HB2 TYR 8 HB2 TYR 8 -14.705 7.060 1.232 51 HB3 TYR 8 HB1 TYR 8 -14.624 8.332 0.021 52 HD1 TYR 8 HD1 TYR 8 -16.557 5.196 -0.401 53 HD2 TYR 8 HD2 TYR 8 -16.726 9.346 0.529 54 HE1 TYR 8 HE1 TYR 8 -18.998 5.138 -0.622 55 HE2 TYR 8 HE2 TYR 8 -19.174 9.299 0.299 56 HH TYR 8 HH TYR 8 -20.905 7.951 -0.805 57 H GLY 9 HN GLY 9 -14.335 4.542 -2.504 58 HA2 GLY 9 HA2 GLY 9 -15.814 4.466 -4.379 59 HA3 GLY 9 HA1 GLY 9 -15.889 6.214 -4.346 60 H CYS 10 HN CYS 10 -12.684 5.439 -3.992 61 HA CYS 10 HA CYS 10 -12.185 6.116 -6.748 62 HB2 CYS 10 HB2 CYS 10 -10.807 7.124 -4.976 63 HB3 CYS 10 HB1 CYS 10 -10.194 5.529 -4.546 64 H LYS 11 HN LYS 11 -13.232 4.091 -7.500 65 HA LYS 11 HA LYS 11 -11.726 1.639 -7.182 66 HB2 LYS 11 HB2 LYS 11 -14.279 2.452 -8.430 67 HB3 LYS 11 HB1 LYS 11 -13.448 1.120 -9.217 68 HG2 LYS 11 HG2 LYS 11 -13.441 0.671 -6.400 69 HG3 LYS 11 HG1 LYS 11 -15.083 1.045 -6.928 70 HD2 LYS 11 HD2 LYS 11 -14.911 -0.677 -8.660 71 HD3 LYS 11 HD1 LYS 11 -13.277 -1.061 -8.119 72 HE2 LYS 11 HE2 LYS 11 -14.116 -1.771 -5.972 73 HE3 LYS 11 HE1 LYS 11 -15.747 -1.264 -6.405 74 HZ1 LYS 11 HZ1 LYS 11 -14.191 -3.442 -7.685 75 HZ2 LYS 11 HZ2 LYS 11 -15.715 -2.924 -8.190 76 HZ3 LYS 11 HZ3 LYS 11 -15.530 -3.636 -6.669 77 H ASN 12 HN ASN 12 -10.140 3.646 -8.143 78 HA ASN 12 HA ASN 12 -9.869 3.457 -11.021 79 HB2 ASN 12 HB2 ASN 12 -8.392 4.917 -8.882 80 HB3 ASN 12 HB1 ASN 12 -7.815 4.900 -10.537 81 HD21 ASN 12 HD21 ASN 12 -8.473 7.283 -9.255 82 HD22 ASN 12 HD22 ASN 12 -9.890 7.939 -10.003 83 H ARG 13 HN ARG 13 -9.601 1.023 -9.987 84 HA ARG 13 HA ARG 13 -7.264 -0.078 -9.193 85 HB2 ARG 13 HB2 ARG 13 -9.520 -1.144 -10.198 86 HB3 ARG 13 HB1 ARG 13 -8.453 -1.422 -11.561 87 HG2 ARG 13 HG2 ARG 13 -8.386 -2.608 -8.819 88 HG3 ARG 13 HG1 ARG 13 -8.268 -3.400 -10.386 89 HD2 ARG 13 HD2 ARG 13 -6.014 -2.065 -10.544 90 HD3 ARG 13 HD1 ARG 13 -6.160 -2.005 -8.791 91 HE ARG 13 HE ARG 13 -6.496 -4.665 -9.711 92 HH11 ARG 13 HH11 ARG 13 -4.041 -2.260 -9.076 93 HH12 ARG 13 HH12 ARG 13 -2.758 -3.420 -8.961 94 HH21 ARG 13 HH21 ARG 13 -4.795 -6.192 -9.571 95 HH22 ARG 13 HH22 ARG 13 -3.184 -5.643 -9.242 96 H TYR 14 HN TYR 14 -5.266 -0.290 -9.919 97 HA TYR 14 HA TYR 14 -3.749 1.128 -11.418 98 HB2 TYR 14 HB2 TYR 14 -3.563 -1.534 -10.613 99 HB3 TYR 14 HB1 TYR 14 -3.176 -1.559 -12.329 100 HD1 TYR 14 HD2 TYR 14 -1.570 0.706 -12.898 101 HD2 TYR 14 HD1 TYR 14 -1.715 -1.569 -9.297 102 HE1 TYR 14 HE2 TYR 14 0.717 1.434 -12.342 103 HE2 TYR 14 HE1 TYR 14 0.567 -0.857 -8.751 104 HH TYR 14 HH TYR 14 2.481 0.056 -9.648 105 H ASP 15 HN ASP 15 -4.223 2.193 -13.223 106 HA ASP 15 HA ASP 15 -4.676 0.586 -15.633 107 HB2 ASP 15 HB2 ASP 15 -6.793 1.670 -15.053 108 HB3 ASP 15 HB1 ASP 15 -5.984 3.231 -14.953 109 H LYS 16 HN LYS 16 -2.848 0.702 -16.612 110 HA LYS 16 HA LYS 16 -0.848 2.606 -16.308 111 HB2 LYS 16 HB2 LYS 16 0.296 1.240 -17.682 112 HB3 LYS 16 HB1 LYS 16 -1.111 0.199 -17.540 113 HG2 LYS 16 HG2 LYS 16 -1.927 1.751 -19.570 114 HG3 LYS 16 HG1 LYS 16 -0.188 1.810 -19.833 115 HD2 LYS 16 HD2 LYS 16 -0.033 -0.496 -20.135 116 HD3 LYS 16 HD1 LYS 16 -1.594 -0.788 -19.373 117 HE2 LYS 16 HE2 LYS 16 -1.404 0.801 -21.899 118 HE3 LYS 16 HE1 LYS 16 -1.398 -0.960 -21.948 119 HZ1 LYS 16 HZ1 LYS 16 -3.492 -0.627 -20.430 120 HZ2 LYS 16 HZ2 LYS 16 -3.612 -0.554 -22.111 121 HZ3 LYS 16 HZ3 LYS 16 -3.557 0.879 -21.207 122 H ASP 17 HN ASP 17 -3.729 2.745 -18.170 123 HA ASP 17 HA ASP 17 -2.843 4.596 -20.134 124 HB2 ASP 17 HB2 ASP 17 -5.434 3.486 -19.230 125 HB3 ASP 17 HB1 ASP 17 -5.497 5.029 -20.074 126 H LYS 18 HN LYS 18 -4.088 4.778 -16.920 127 HA LYS 18 HA LYS 18 -4.381 7.681 -17.031 128 HB2 LYS 18 HB2 LYS 18 -5.857 7.476 -15.314 129 HB3 LYS 18 HB1 LYS 18 -5.944 5.813 -15.873 130 HG2 LYS 18 HG2 LYS 18 -4.142 5.285 -14.185 131 HG3 LYS 18 HG1 LYS 18 -4.432 6.895 -13.526 132 HD2 LYS 18 HD2 LYS 18 -6.607 4.845 -13.889 133 HD3 LYS 18 HD1 LYS 18 -5.679 5.011 -12.398 134 HE2 LYS 18 HE2 LYS 18 -7.485 6.335 -11.914 135 HE3 LYS 18 HE1 LYS 18 -6.393 7.527 -12.613 136 HZ1 LYS 18 HZ1 LYS 18 -8.481 6.114 -14.169 137 HZ2 LYS 18 HZ2 LYS 18 -7.566 7.451 -14.650 138 HZ3 LYS 18 HZ3 LYS 18 -8.724 7.618 -13.433 139 HA PRO 19 HA PRO 19 -0.463 8.150 -15.034 140 HB2 PRO 19 HB2 PRO 19 -0.615 10.712 -14.247 141 HB3 PRO 19 HB1 PRO 19 -0.589 10.261 -15.961 142 HG2 PRO 19 HG2 PRO 19 -2.862 11.140 -14.282 143 HG3 PRO 19 HG1 PRO 19 -2.527 11.443 -15.996 144 HD2 PRO 19 HD2 PRO 19 -4.276 9.510 -14.987 145 HD3 PRO 19 HD1 PRO 19 -3.648 9.592 -16.643 146 H VAL 20 HN VAL 20 -1.194 6.566 -13.295 147 HA VAL 20 HA VAL 20 -0.809 7.886 -10.733 148 HB VAL 20 HB VAL 20 -2.549 6.859 -9.522 149 HG11 VAL 20 HG11 VAL 20 -3.441 8.781 -10.478 150 HG12 VAL 20 HG12 VAL 20 -4.667 7.536 -10.731 151 HG13 VAL 20 HG13 VAL 20 -3.612 8.027 -12.062 152 HG21 VAL 20 HG21 VAL 20 -2.555 4.671 -10.445 153 HG22 VAL 20 HG22 VAL 20 -3.198 5.257 -11.979 154 HG23 VAL 20 HG23 VAL 20 -4.196 5.311 -10.524 155 H SER 21 HN SER 21 0.094 6.549 -9.154 156 HA SER 21 HA SER 21 1.002 3.907 -10.089 157 HB2 SER 21 HB2 SER 21 3.020 4.528 -8.479 158 HB3 SER 21 HB1 SER 21 2.997 5.102 -10.148 159 HG SER 21 HG SER 21 2.397 7.099 -9.471 160 H PHE 22 HN PHE 22 1.448 2.363 -8.248 161 HA PHE 22 HA PHE 22 -0.327 3.016 -6.001 162 HB2 PHE 22 HB2 PHE 22 0.065 0.536 -7.545 163 HB3 PHE 22 HB1 PHE 22 -0.102 0.327 -5.806 164 HD1 PHE 22 HD1 PHE 22 -1.743 1.812 -8.782 165 HD2 PHE 22 HD2 PHE 22 -2.205 0.441 -4.784 166 HE1 PHE 22 HE1 PHE 22 -4.186 2.027 -8.991 167 HE2 PHE 22 HE2 PHE 22 -4.644 0.648 -4.985 168 HZ PHE 22 HZ PHE 22 -5.641 1.443 -7.090 169 H HIS 23 HN HIS 23 0.208 2.576 -3.971 170 HA HIS 23 HA HIS 23 2.955 1.749 -3.248 171 HB2 HIS 23 HB2 HIS 23 1.989 3.937 -1.623 172 HB3 HIS 23 HB1 HIS 23 3.545 3.760 -2.419 173 HD1 HIS 23 HD1 HIS 23 0.146 5.122 -2.855 174 HD2 HIS 23 HD2 HIS 23 3.755 5.100 -4.892 175 HE1 HIS 23 HE1 HIS 23 -0.175 6.711 -4.732 176 HE2 HIS 23 HE2 HIS 23 2.118 6.870 -5.841 177 H LYS 24 HN LYS 24 2.977 1.840 -0.632 178 HA LYS 24 HA LYS 24 0.385 0.716 0.177 179 HB2 LYS 24 HB2 LYS 24 3.131 -0.219 0.572 180 HB3 LYS 24 HB1 LYS 24 2.179 -0.197 2.056 181 HG2 LYS 24 HG2 LYS 24 0.459 -1.531 0.986 182 HG3 LYS 24 HG1 LYS 24 1.377 -1.527 -0.518 183 HD2 LYS 24 HD2 LYS 24 3.170 -2.765 0.529 184 HD3 LYS 24 HD1 LYS 24 2.348 -2.685 2.091 185 HE2 LYS 24 HE2 LYS 24 2.116 -4.831 0.673 186 HE3 LYS 24 HE1 LYS 24 0.681 -4.156 1.436 187 HZ1 LYS 24 HZ1 LYS 24 0.436 -4.832 -0.950 188 HZ2 LYS 24 HZ2 LYS 24 1.444 -3.537 -1.354 189 HZ3 LYS 24 HZ3 LYS 24 -0.039 -3.247 -0.596 190 H PHE 25 HN PHE 25 0.003 0.936 2.616 191 HA PHE 25 HA PHE 25 -0.097 3.627 3.383 192 HB2 PHE 25 HB2 PHE 25 -0.637 1.030 4.652 193 HB3 PHE 25 HB1 PHE 25 -0.122 2.266 5.780 194 HD1 PHE 25 HD2 PHE 25 -2.578 1.797 3.016 195 HD2 PHE 25 HD1 PHE 25 -1.712 3.595 6.764 196 HE1 PHE 25 HE2 PHE 25 -4.877 2.666 3.126 197 HE2 PHE 25 HE1 PHE 25 -4.014 4.444 6.896 198 HZ PHE 25 HZ PHE 25 -5.598 3.984 5.073 199 HA PRO 26 HA PRO 26 3.894 4.431 5.227 200 HB2 PRO 26 HB2 PRO 26 3.204 6.120 7.225 201 HB3 PRO 26 HB1 PRO 26 3.080 6.609 5.522 202 HG2 PRO 26 HG2 PRO 26 0.946 5.549 7.319 203 HG3 PRO 26 HG1 PRO 26 0.910 6.993 6.293 204 HD2 PRO 26 HD2 PRO 26 -0.205 4.726 5.471 205 HD3 PRO 26 HD1 PRO 26 0.692 5.755 4.336 206 H LEU 27 HN LEU 27 3.777 2.086 5.906 207 HA LEU 27 HA LEU 27 2.774 1.388 8.464 208 HB2 LEU 27 HB2 LEU 27 4.557 0.070 6.455 209 HB3 LEU 27 HB1 LEU 27 4.331 -0.646 8.041 210 HG LEU 27 HG LEU 27 2.148 -0.059 6.026 211 HD11 LEU 27 HD11 LEU 27 1.919 -2.486 5.913 212 HD12 LEU 27 HD12 LEU 27 3.281 -2.673 7.017 213 HD13 LEU 27 HD13 LEU 27 3.536 -1.975 5.418 214 HD21 LEU 27 HD21 LEU 27 1.006 0.184 7.971 215 HD22 LEU 27 HD22 LEU 27 2.121 -0.826 8.892 216 HD23 LEU 27 HD23 LEU 27 0.933 -1.573 7.820 217 H THR 28 HN THR 28 5.695 2.739 7.333 218 HA THR 28 HA THR 28 7.054 2.227 9.838 219 HB THR 28 HB THR 28 9.025 3.122 8.732 220 HG1 THR 28 HG1 THR 28 8.111 3.484 6.232 221 HG21 THR 28 HG21 THR 28 7.371 1.302 6.979 222 HG22 THR 28 HG22 THR 28 8.490 0.814 8.259 223 HG23 THR 28 HG23 THR 28 9.110 1.565 6.786 224 H ARG 29 HN ARG 29 4.705 4.140 9.150 225 HA ARG 29 HA ARG 29 5.584 6.320 10.882 226 HB2 ARG 29 HB2 ARG 29 4.992 6.556 8.026 227 HB3 ARG 29 HB1 ARG 29 3.912 7.539 8.985 228 HG2 ARG 29 HG2 ARG 29 6.841 7.709 9.463 229 HG3 ARG 29 HG1 ARG 29 6.128 8.508 8.059 230 HD2 ARG 29 HD2 ARG 29 5.369 10.165 9.314 231 HD3 ARG 29 HD1 ARG 29 4.556 9.038 10.396 232 HE ARG 29 HE ARG 29 6.234 9.319 11.889 233 HH11 ARG 29 HH11 ARG 29 7.407 10.412 8.769 234 HH12 ARG 29 HH12 ARG 29 8.905 11.012 9.404 235 HH21 ARG 29 HH21 ARG 29 8.200 10.128 12.719 236 HH22 ARG 29 HH22 ARG 29 9.353 10.852 11.645 237 HA PRO 30 HA PRO 30 1.515 3.920 11.603 238 HB2 PRO 30 HB2 PRO 30 1.894 4.289 14.357 239 HB3 PRO 30 HB1 PRO 30 2.136 2.800 13.428 240 HG2 PRO 30 HG2 PRO 30 4.128 4.794 14.341 241 HG3 PRO 30 HG1 PRO 30 4.308 3.052 14.088 242 HD2 PRO 30 HD2 PRO 30 5.342 4.807 12.377 243 HD3 PRO 30 HD1 PRO 30 4.644 3.270 11.827 244 H SER 31 HN SER 31 2.503 6.604 13.823 245 HA SER 31 HA SER 31 -0.052 7.478 14.450 246 HB2 SER 31 HB2 SER 31 1.884 9.654 14.011 247 HB3 SER 31 HB1 SER 31 1.043 9.174 15.485 248 HG SER 31 HG SER 31 2.866 8.333 16.071 249 H LEU 32 HN LEU 32 2.028 8.470 11.798 250 HA LEU 32 HA LEU 32 0.211 10.238 10.572 251 HB2 LEU 32 HB2 LEU 32 2.660 10.225 10.216 252 HB3 LEU 32 HB1 LEU 32 2.535 8.669 9.437 253 HG LEU 32 HG LEU 32 2.761 10.941 8.084 254 HD11 LEU 32 HD11 LEU 32 2.709 8.605 7.233 255 HD12 LEU 32 HD12 LEU 32 1.979 9.804 6.164 256 HD13 LEU 32 HD13 LEU 32 0.953 8.750 7.135 257 HD21 LEU 32 HD21 LEU 32 0.813 12.030 8.817 258 HD22 LEU 32 HD22 LEU 32 -0.186 10.602 8.520 259 HD23 LEU 32 HD23 LEU 32 0.508 11.501 7.163 260 H CYS 33 HN CYS 33 0.782 6.793 10.405 261 HA CYS 33 HA CYS 33 -0.678 6.171 8.054 262 HB2 CYS 33 HB2 CYS 33 0.910 4.667 9.306 263 HB3 CYS 33 HB1 CYS 33 -0.309 4.533 10.580 264 HG CYS 33 HG CYS 33 -0.017 2.865 7.725 265 H LYS 34 HN LYS 34 -1.413 6.668 11.350 266 HA LYS 34 HA LYS 34 -4.027 5.623 11.370 267 HB2 LYS 34 HB2 LYS 34 -3.051 5.612 13.420 268 HB3 LYS 34 HB1 LYS 34 -2.235 7.142 13.164 269 HG2 LYS 34 HG2 LYS 34 -4.882 7.870 13.206 270 HG3 LYS 34 HG1 LYS 34 -4.781 6.601 14.437 271 HD2 LYS 34 HD2 LYS 34 -2.574 7.921 15.089 272 HD3 LYS 34 HD1 LYS 34 -3.443 9.256 14.324 273 HE2 LYS 34 HE2 LYS 34 -5.354 8.859 15.818 274 HE3 LYS 34 HE1 LYS 34 -4.465 7.553 16.594 275 HZ1 LYS 34 HZ1 LYS 34 -3.829 10.444 16.636 276 HZ2 LYS 34 HZ2 LYS 34 -2.732 9.260 17.133 277 HZ3 LYS 34 HZ3 LYS 34 -4.204 9.441 17.947 278 H GLU 35 HN GLU 35 -2.752 8.862 10.530 279 HA GLU 35 HA GLU 35 -5.378 9.998 10.954 280 HB2 GLU 35 HB2 GLU 35 -4.369 11.841 9.352 281 HB3 GLU 35 HB1 GLU 35 -4.022 11.793 11.061 282 HG2 GLU 35 HG2 GLU 35 -1.989 10.350 10.335 283 HG3 GLU 35 HG1 GLU 35 -2.279 11.105 8.769 284 H TRP 36 HN TRP 36 -3.834 8.175 8.511 285 HA TRP 36 HA TRP 36 -5.341 9.103 6.309 286 HB2 TRP 36 HB2 TRP 36 -4.117 6.391 6.863 287 HB3 TRP 36 HB1 TRP 36 -4.859 6.836 5.328 288 HD1 TRP 36 HD1 TRP 36 -2.637 9.287 7.254 289 HE1 TRP 36 HE1 TRP 36 -0.525 9.762 5.867 290 HE3 TRP 36 HE3 TRP 36 -3.316 5.828 3.535 291 HZ2 TRP 36 HZ2 TRP 36 0.699 8.784 3.520 292 HZ3 TRP 36 HZ3 TRP 36 -1.628 5.683 1.743 293 HH2 TRP 36 HH2 TRP 36 0.342 7.124 1.747 294 H GLU 37 HN GLU 37 -5.989 7.012 9.017 295 HA GLU 37 HA GLU 37 -8.376 5.833 8.018 296 HB2 GLU 37 HB2 GLU 37 -7.904 6.479 10.922 297 HB3 GLU 37 HB1 GLU 37 -8.802 5.134 10.242 298 HG2 GLU 37 HG2 GLU 37 -5.842 5.414 9.888 299 HG3 GLU 37 HG1 GLU 37 -6.556 4.641 11.296 300 H ALA 38 HN ALA 38 -7.556 8.831 9.582 301 HA ALA 38 HA ALA 38 -10.123 9.716 10.295 302 HB1 ALA 38 HB1 ALA 38 -7.608 11.269 9.738 303 HB2 ALA 38 HB2 ALA 38 -8.160 10.680 11.306 304 HB3 ALA 38 HB3 ALA 38 -9.068 11.936 10.468 305 H ALA 39 HN ALA 39 -8.424 9.571 7.310 306 HA ALA 39 HA ALA 39 -10.121 11.557 6.029 307 HB1 ALA 39 HB1 ALA 39 -7.765 11.425 5.407 308 HB2 ALA 39 HB2 ALA 39 -8.806 11.073 4.028 309 HB3 ALA 39 HB3 ALA 39 -7.992 9.759 4.877 310 H VAL 40 HN VAL 40 -9.916 8.158 6.548 311 HA VAL 40 HA VAL 40 -11.843 7.510 4.442 312 HB VAL 40 HB VAL 40 -10.984 5.550 6.516 313 HG11 VAL 40 HG11 VAL 40 -11.278 3.970 4.731 314 HG12 VAL 40 HG12 VAL 40 -11.433 5.274 3.554 315 HG13 VAL 40 HG13 VAL 40 -12.683 5.033 4.774 316 HG21 VAL 40 HG21 VAL 40 -9.010 4.959 5.080 317 HG22 VAL 40 HG22 VAL 40 -8.857 6.502 5.920 318 HG23 VAL 40 HG23 VAL 40 -9.274 6.466 4.206 319 H ARG 41 HN ARG 41 -12.855 9.263 6.006 320 HA ARG 41 HA ARG 41 -14.205 8.525 8.348 321 HB2 ARG 41 HB2 ARG 41 -15.558 10.582 7.909 322 HB3 ARG 41 HB1 ARG 41 -13.819 10.829 7.869 323 HG2 ARG 41 HG2 ARG 41 -14.206 11.908 5.948 324 HG3 ARG 41 HG1 ARG 41 -14.370 10.298 5.245 325 HD2 ARG 41 HD2 ARG 41 -16.276 11.488 4.551 326 HD3 ARG 41 HD1 ARG 41 -16.827 10.437 5.853 327 HE ARG 41 HE ARG 41 -16.422 13.347 6.033 328 HH11 ARG 41 HH11 ARG 41 -17.691 10.371 7.381 329 HH12 ARG 41 HH12 ARG 41 -18.667 11.179 8.566 330 HH21 ARG 41 HH21 ARG 41 -17.718 14.410 7.581 331 HH22 ARG 41 HH22 ARG 41 -18.679 13.477 8.682 332 H ARG 42 HN ARG 42 -14.772 6.852 5.734 333 HA ARG 42 HA ARG 42 -17.697 7.077 5.865 334 HB2 ARG 42 HB2 ARG 42 -16.287 7.168 3.633 335 HB3 ARG 42 HB1 ARG 42 -16.361 5.420 3.783 336 HG2 ARG 42 HG2 ARG 42 -18.156 6.108 2.386 337 HG3 ARG 42 HG1 ARG 42 -18.836 5.593 3.931 338 HD2 ARG 42 HD2 ARG 42 -18.852 8.018 4.607 339 HD3 ARG 42 HD1 ARG 42 -18.421 8.410 2.942 340 HE ARG 42 HE ARG 42 -20.639 6.826 2.726 341 HH11 ARG 42 HH11 ARG 42 -19.899 9.814 4.390 342 HH12 ARG 42 HH12 ARG 42 -21.517 10.424 4.298 343 HH21 ARG 42 HH21 ARG 42 -22.786 7.617 2.611 344 HH22 ARG 42 HH22 ARG 42 -23.160 9.175 3.280 345 H LYS 43 HN LYS 43 -18.973 5.140 5.907 346 HA LYS 43 HA LYS 43 -18.130 3.283 7.848 347 HB2 LYS 43 HB2 LYS 43 -20.288 2.554 7.835 348 HB3 LYS 43 HB1 LYS 43 -20.542 4.042 6.941 349 HG2 LYS 43 HG2 LYS 43 -19.878 2.171 4.997 350 HG3 LYS 43 HG1 LYS 43 -20.928 1.304 6.115 351 HD2 LYS 43 HD2 LYS 43 -22.556 3.188 5.925 352 HD3 LYS 43 HD1 LYS 43 -21.525 3.884 4.674 353 HE2 LYS 43 HE2 LYS 43 -23.177 2.695 3.498 354 HE3 LYS 43 HE1 LYS 43 -21.753 1.657 3.465 355 HZ1 LYS 43 HZ1 LYS 43 -24.120 1.366 5.231 356 HZ2 LYS 43 HZ2 LYS 43 -22.712 0.440 5.375 357 HZ3 LYS 43 HZ3 LYS 43 -23.652 0.336 3.975 358 H ASN 44 HN ASN 44 -18.089 3.221 4.360 359 HA ASN 44 HA ASN 44 -17.447 0.398 4.305 360 HB2 ASN 44 HB2 ASN 44 -17.291 0.849 1.779 361 HB3 ASN 44 HB1 ASN 44 -18.871 0.971 2.541 362 HD21 ASN 44 HD21 ASN 44 -19.775 2.335 1.090 363 HD22 ASN 44 HD22 ASN 44 -19.265 3.970 0.867 364 H PHE 45 HN PHE 45 -15.587 1.546 5.740 365 HA PHE 45 HA PHE 45 -13.310 2.616 4.595 366 HB2 PHE 45 HB2 PHE 45 -13.791 2.241 7.064 367 HB3 PHE 45 HB1 PHE 45 -13.354 0.555 6.827 368 HD1 PHE 45 HD1 PHE 45 -10.980 0.105 5.918 369 HD2 PHE 45 HD2 PHE 45 -12.152 3.798 7.671 370 HE1 PHE 45 HE1 PHE 45 -8.629 0.639 6.359 371 HE2 PHE 45 HE2 PHE 45 -9.809 4.346 8.096 372 HZ PHE 45 HZ PHE 45 -8.037 2.765 7.445 373 H LYS 46 HN LYS 46 -12.143 1.897 2.986 374 HA LYS 46 HA LYS 46 -12.313 -0.739 1.944 375 HB2 LYS 46 HB2 LYS 46 -11.374 1.798 1.134 376 HB3 LYS 46 HB1 LYS 46 -10.041 0.665 0.945 377 HG2 LYS 46 HG2 LYS 46 -10.949 -0.137 -0.910 378 HG3 LYS 46 HG1 LYS 46 -12.425 -0.543 -0.042 379 HD2 LYS 46 HD2 LYS 46 -11.852 2.225 -1.073 380 HD3 LYS 46 HD1 LYS 46 -12.713 1.003 -2.013 381 HE2 LYS 46 HE2 LYS 46 -13.533 1.986 0.715 382 HE3 LYS 46 HE1 LYS 46 -14.233 2.533 -0.807 383 HZ1 LYS 46 HZ1 LYS 46 -14.195 -0.344 -0.381 384 HZ2 LYS 46 HZ2 LYS 46 -15.406 0.647 -1.038 385 HZ3 LYS 46 HZ3 LYS 46 -15.220 0.539 0.640 386 HA PRO 47 HA PRO 47 -9.031 -3.112 3.628 387 HB2 PRO 47 HB2 PRO 47 -7.120 -2.534 1.433 388 HB3 PRO 47 HB1 PRO 47 -7.635 -4.088 2.113 389 HG2 PRO 47 HG2 PRO 47 -8.566 -3.287 -0.232 390 HG3 PRO 47 HG1 PRO 47 -9.609 -4.131 0.930 391 HD2 PRO 47 HD2 PRO 47 -9.524 -1.237 0.237 392 HD3 PRO 47 HD1 PRO 47 -10.914 -2.243 0.660 393 H THR 48 HN THR 48 -7.087 -3.101 4.713 394 HA THR 48 HA THR 48 -6.512 -0.548 5.860 395 HB THR 48 HB THR 48 -5.416 -1.799 7.562 396 HG1 THR 48 HG1 THR 48 -4.927 -4.018 7.257 397 HG21 THR 48 HG21 THR 48 -7.960 -2.064 7.108 398 HG22 THR 48 HG22 THR 48 -7.169 -3.108 8.291 399 HG23 THR 48 HG23 THR 48 -7.504 -3.711 6.661 400 H LYS 49 HN LYS 49 -4.042 -0.816 6.777 401 HA LYS 49 HA LYS 49 -2.439 0.313 4.826 402 HB2 LYS 49 HB2 LYS 49 -0.576 -0.341 6.580 403 HB3 LYS 49 HB1 LYS 49 -1.748 0.925 6.906 404 HG2 LYS 49 HG2 LYS 49 -2.882 -1.504 7.796 405 HG3 LYS 49 HG1 LYS 49 -1.218 -1.440 8.387 406 HD2 LYS 49 HD2 LYS 49 -2.592 -0.383 10.022 407 HD3 LYS 49 HD1 LYS 49 -1.683 0.880 9.189 408 HE2 LYS 49 HE2 LYS 49 -3.740 1.107 7.686 409 HE3 LYS 49 HE1 LYS 49 -4.585 0.158 8.903 410 HZ1 LYS 49 HZ1 LYS 49 -4.193 1.813 10.524 411 HZ2 LYS 49 HZ2 LYS 49 -4.782 2.612 9.150 412 HZ3 LYS 49 HZ3 LYS 49 -3.125 2.662 9.522 413 H TYR 50 HN TYR 50 -3.137 -3.018 5.243 414 HA TYR 50 HA TYR 50 -0.547 -3.834 4.243 415 HB2 TYR 50 HB2 TYR 50 -3.115 -5.341 4.621 416 HB3 TYR 50 HB1 TYR 50 -1.632 -6.071 4.029 417 HD1 TYR 50 HD1 TYR 50 0.393 -6.019 5.547 418 HD2 TYR 50 HD2 TYR 50 -3.529 -5.135 6.911 419 HE1 TYR 50 HE1 TYR 50 1.093 -6.564 7.830 420 HE2 TYR 50 HE2 TYR 50 -2.836 -5.668 9.230 421 HH TYR 50 HH TYR 50 -0.759 -7.400 10.131 422 H SER 51 HN SER 51 -3.471 -2.649 3.023 423 HA SER 51 HA SER 51 -3.041 -3.774 0.405 424 HB2 SER 51 HB2 SER 51 -5.202 -2.261 1.715 425 HB3 SER 51 HB1 SER 51 -5.026 -2.057 -0.034 426 HG SER 51 HG SER 51 -6.384 -3.864 0.703 427 H SER 52 HN SER 52 -3.200 -2.027 -1.459 428 HA SER 52 HA SER 52 -1.194 -0.002 -0.761 429 HB2 SER 52 HB2 SER 52 -1.091 -0.330 -3.505 430 HB3 SER 52 HB1 SER 52 0.008 -1.018 -2.323 431 HG SER 52 HG SER 52 -0.978 -2.583 -3.793 432 H ILE 53 HN ILE 53 -1.248 2.032 -1.729 433 HA ILE 53 HA ILE 53 -3.954 2.932 -2.485 434 HB ILE 53 HB ILE 53 -1.808 4.458 -0.975 435 HG12 ILE 53 HG12 ILE 53 -3.679 4.403 0.825 436 HG13 ILE 53 HG11 ILE 53 -4.298 3.031 -0.089 437 HG21 ILE 53 HG21 ILE 53 -3.048 6.020 -2.258 438 HG22 ILE 53 HG22 ILE 53 -3.642 6.113 -0.592 439 HG23 ILE 53 HG23 ILE 53 -4.583 5.254 -1.811 440 HD11 ILE 53 HD11 ILE 53 -2.101 3.175 1.776 441 HD12 ILE 53 HD12 ILE 53 -1.609 2.469 0.236 442 HD13 ILE 53 HD13 ILE 53 -2.956 1.771 1.139 443 H CYS 54 HN CYS 54 -3.816 5.053 -3.848 444 HA CYS 54 HA CYS 54 -1.568 4.774 -5.688 445 HB2 CYS 54 HB2 CYS 54 -3.226 5.505 -7.452 446 HB3 CYS 54 HB1 CYS 54 -3.418 3.899 -6.798 447 H SER 55 HN SER 55 -0.965 6.618 -6.904 448 HA SER 55 HA SER 55 0.015 8.686 -5.493 449 HB2 SER 55 HB2 SER 55 0.172 9.905 -7.702 450 HB3 SER 55 HB1 SER 55 0.800 8.254 -7.680 451 HG SER 55 HG SER 55 -0.793 9.086 -9.419 452 H GLU 56 HN GLU 56 -2.699 9.263 -7.642 453 HA GLU 56 HA GLU 56 -3.485 11.726 -7.327 454 HB2 GLU 56 HB2 GLU 56 -5.929 10.607 -7.155 455 HB3 GLU 56 HB1 GLU 56 -4.963 10.611 -8.629 456 HG2 GLU 56 HG2 GLU 56 -4.446 8.395 -8.459 457 HG3 GLU 56 HG1 GLU 56 -4.543 8.390 -6.710 458 H HIS 57 HN HIS 57 -3.622 9.559 -4.627 459 HA HIS 57 HA HIS 57 -5.538 11.208 -3.221 460 HB2 HIS 57 HB2 HIS 57 -4.018 8.752 -2.366 461 HB3 HIS 57 HB1 HIS 57 -5.225 9.576 -1.379 462 HD1 HIS 57 HD1 HIS 57 -7.529 10.024 -3.208 463 HD2 HIS 57 HD2 HIS 57 -5.187 6.595 -3.418 464 HE1 HIS 57 HE1 HIS 57 -8.934 8.277 -4.377 465 H PHE 58 HN PHE 58 -2.102 11.267 -3.515 466 HA PHE 58 HA PHE 58 -2.070 13.067 -1.185 467 HB2 PHE 58 HB2 PHE 58 0.556 11.926 -1.510 468 HB3 PHE 58 HB1 PHE 58 -0.480 11.943 -0.081 469 HD1 PHE 58 HD2 PHE 58 -1.943 10.032 0.396 470 HD2 PHE 58 HD1 PHE 58 0.734 10.062 -2.900 471 HE1 PHE 58 HE2 PHE 58 -2.167 7.592 0.197 472 HE2 PHE 58 HE1 PHE 58 0.524 7.635 -3.102 473 HZ PHE 58 HZ PHE 58 -0.927 6.389 -1.556 474 H THR 59 HN THR 59 -0.043 14.388 -1.164 475 HA THR 59 HA THR 59 0.205 15.685 -3.722 476 HB THR 59 HB THR 59 1.898 17.070 -2.272 477 HG1 THR 59 HG1 THR 59 0.563 16.713 -0.023 478 HG21 THR 59 HG21 THR 59 -1.096 17.042 -2.048 479 HG22 THR 59 HG22 THR 59 -0.064 18.107 -3.007 480 HG23 THR 59 HG23 THR 59 -0.117 18.278 -1.256 481 HA PRO 60 HA PRO 60 3.783 13.674 -5.291 482 HB2 PRO 60 HB2 PRO 60 5.153 16.079 -5.929 483 HB3 PRO 60 HB1 PRO 60 4.073 15.175 -7.002 484 HG2 PRO 60 HG2 PRO 60 3.469 17.535 -5.290 485 HG3 PRO 60 HG1 PRO 60 2.870 17.134 -6.914 486 HD2 PRO 60 HD2 PRO 60 1.312 16.806 -4.820 487 HD3 PRO 60 HD1 PRO 60 1.370 15.555 -6.081 488 H ASP 61 HN ASP 61 4.120 16.444 -3.175 489 HA ASP 61 HA ASP 61 6.799 16.088 -2.395 490 HB2 ASP 61 HB2 ASP 61 4.577 17.142 -0.641 491 HB3 ASP 61 HB1 ASP 61 6.297 17.496 -0.512 492 H SER 62 HN SER 62 3.801 14.788 -1.114 493 HA SER 62 HA SER 62 5.177 13.406 1.036 494 HB2 SER 62 HB2 SER 62 2.805 14.586 1.020 495 HB3 SER 62 HB1 SER 62 2.277 12.986 0.484 496 HG SER 62 HG SER 62 2.511 12.326 2.460 497 H PHE 63 HN PHE 63 4.702 12.786 -2.107 498 HA PHE 63 HA PHE 63 3.459 10.557 -2.678 499 HB2 PHE 63 HB2 PHE 63 5.953 11.647 -3.667 500 HB3 PHE 63 HB1 PHE 63 5.815 9.917 -3.888 501 HD1 PHE 63 HD1 PHE 63 2.735 9.917 -4.147 502 HD2 PHE 63 HD2 PHE 63 5.831 12.189 -5.992 503 HE1 PHE 63 HE1 PHE 63 1.309 10.251 -6.106 504 HE2 PHE 63 HE2 PHE 63 4.401 12.523 -7.969 505 HZ PHE 63 HZ PHE 63 2.136 11.557 -8.026 506 H LYS 64 HN LYS 64 6.905 9.937 -1.789 507 HA LYS 64 HA LYS 64 6.175 7.748 -0.048 508 HB2 LYS 64 HB2 LYS 64 7.612 6.880 -2.555 509 HB3 LYS 64 HB1 LYS 64 7.043 5.869 -1.240 510 HG2 LYS 64 HG2 LYS 64 5.381 5.407 -2.639 511 HG3 LYS 64 HG1 LYS 64 4.713 6.933 -2.060 512 HD2 LYS 64 HD2 LYS 64 4.639 6.785 -4.496 513 HD3 LYS 64 HD1 LYS 64 5.684 8.095 -3.966 514 HE2 LYS 64 HE2 LYS 64 6.622 6.817 -5.851 515 HE3 LYS 64 HE1 LYS 64 7.646 6.787 -4.425 516 HZ1 LYS 64 HZ1 LYS 64 6.138 4.627 -5.682 517 HZ2 LYS 64 HZ2 LYS 64 6.298 4.573 -3.999 518 HZ3 LYS 64 HZ3 LYS 64 7.676 4.605 -4.984 519 H ARG 65 HN ARG 65 8.980 6.685 -1.488 520 HA ARG 65 HA ARG 65 10.546 7.569 0.737 521 HB2 ARG 65 HB2 ARG 65 12.396 6.309 -0.580 522 HB3 ARG 65 HB1 ARG 65 11.087 5.406 0.160 523 HG2 ARG 65 HG2 ARG 65 10.008 5.729 -2.250 524 HG3 ARG 65 HG1 ARG 65 11.709 5.850 -2.704 525 HD2 ARG 65 HD2 ARG 65 11.080 3.640 -0.875 526 HD3 ARG 65 HD1 ARG 65 10.306 3.526 -2.453 527 HE ARG 65 HE ARG 65 12.884 4.067 -3.075 528 HH11 ARG 65 HH11 ARG 65 11.376 1.647 -1.027 529 HH12 ARG 65 HH12 ARG 65 12.598 0.452 -1.312 530 HH21 ARG 65 HH21 ARG 65 14.502 2.474 -3.469 531 HH22 ARG 65 HH22 ARG 65 14.375 0.919 -2.721 532 H GLU 66 HN GLU 66 10.029 8.690 -2.457 533 HA GLU 66 HA GLU 66 12.485 10.204 -2.590 534 HB2 GLU 66 HB2 GLU 66 10.180 10.778 -4.431 535 HB3 GLU 66 HB1 GLU 66 11.905 10.789 -4.752 536 HG2 GLU 66 HG2 GLU 66 11.288 8.930 -5.902 537 HG3 GLU 66 HG1 GLU 66 11.697 8.213 -4.344 538 H SER 67 HN SER 67 10.026 10.452 -0.651 539 HA SER 67 HA SER 67 9.027 13.077 -0.921 540 HB2 SER 67 HB2 SER 67 7.694 11.638 0.324 541 HB3 SER 67 HB1 SER 67 9.054 10.953 1.190 542 HG SER 67 HG SER 67 8.259 12.198 2.694 543 H ASN 68 HN ASN 68 10.359 12.480 2.193 544 HA ASN 68 HA ASN 68 12.104 14.813 1.860 545 HB2 ASN 68 HB2 ASN 68 10.327 13.975 3.922 546 HB3 ASN 68 HB1 ASN 68 11.955 14.009 4.593 547 HD21 ASN 68 HD21 ASN 68 11.240 15.769 5.905 548 HD22 ASN 68 HD22 ASN 68 11.141 17.365 5.246 549 H ASN 69 HN ASN 69 12.263 11.916 3.925 550 HA ASN 69 HA ASN 69 15.133 11.820 3.309 551 HB2 ASN 69 HB2 ASN 69 15.447 10.664 5.468 552 HB3 ASN 69 HB1 ASN 69 14.741 12.261 5.667 553 HD21 ASN 69 HD21 ASN 69 14.723 9.880 7.391 554 HD22 ASN 69 HD22 ASN 69 13.056 9.557 7.718 555 H LYS 70 HN LYS 70 12.591 9.535 4.346 556 HA LYS 70 HA LYS 70 13.320 7.802 2.127 557 HB2 LYS 70 HB2 LYS 70 14.740 7.187 4.132 558 HB3 LYS 70 HB1 LYS 70 13.257 6.728 4.950 559 HG2 LYS 70 HG2 LYS 70 14.345 4.772 4.066 560 HG3 LYS 70 HG1 LYS 70 12.834 5.052 3.200 561 HD2 LYS 70 HD2 LYS 70 14.329 4.550 1.492 562 HD3 LYS 70 HD1 LYS 70 14.318 6.312 1.490 563 HE2 LYS 70 HE2 LYS 70 16.581 5.704 1.334 564 HE3 LYS 70 HE1 LYS 70 16.345 6.176 3.014 565 HZ1 LYS 70 HZ1 LYS 70 17.650 4.127 2.748 566 HZ2 LYS 70 HZ2 LYS 70 16.310 3.373 2.042 567 HZ3 LYS 70 HZ3 LYS 70 16.242 3.888 3.649 568 H LEU 71 HN LEU 71 11.004 9.250 3.995 569 HA LEU 71 HA LEU 71 8.955 7.503 2.900 570 HB2 LEU 71 HB2 LEU 71 9.724 7.326 5.582 571 HB3 LEU 71 HB1 LEU 71 8.244 8.264 5.599 572 HG LEU 71 HG LEU 71 8.574 5.436 5.365 573 HD11 LEU 71 HD11 LEU 71 6.242 7.318 5.534 574 HD12 LEU 71 HD12 LEU 71 6.979 6.362 6.821 575 HD13 LEU 71 HD13 LEU 71 6.062 5.562 5.543 576 HD21 LEU 71 HD21 LEU 71 6.966 5.057 3.482 577 HD22 LEU 71 HD22 LEU 71 8.560 5.609 2.974 578 HD23 LEU 71 HD23 LEU 71 7.206 6.738 3.006 579 H LEU 72 HN LEU 72 6.714 8.461 3.559 580 HA LEU 72 HA LEU 72 6.424 10.899 2.247 581 HB2 LEU 72 HB2 LEU 72 4.384 10.023 4.234 582 HB3 LEU 72 HB1 LEU 72 4.159 10.746 2.655 583 HG LEU 72 HG LEU 72 5.247 8.367 1.929 584 HD11 LEU 72 HD11 LEU 72 3.584 6.875 3.453 585 HD12 LEU 72 HD12 LEU 72 4.169 8.047 4.634 586 HD13 LEU 72 HD13 LEU 72 5.315 7.052 3.740 587 HD21 LEU 72 HD21 LEU 72 3.211 9.412 1.041 588 HD22 LEU 72 HD22 LEU 72 2.327 8.886 2.471 589 HD23 LEU 72 HD23 LEU 72 2.984 7.691 1.355 590 H LYS 73 HN LYS 73 5.011 12.657 3.217 591 HA LYS 73 HA LYS 73 6.530 13.979 5.255 592 HB2 LYS 73 HB2 LYS 73 4.169 14.666 3.542 593 HB3 LYS 73 HB1 LYS 73 4.459 15.615 4.990 594 HG2 LYS 73 HG2 LYS 73 5.375 16.630 2.965 595 HG3 LYS 73 HG1 LYS 73 6.608 16.300 4.180 596 HD2 LYS 73 HD2 LYS 73 6.826 14.041 2.783 597 HD3 LYS 73 HD1 LYS 73 6.171 15.064 1.506 598 HE2 LYS 73 HE2 LYS 73 8.564 15.807 3.179 599 HE3 LYS 73 HE1 LYS 73 8.674 14.976 1.628 600 HZ1 LYS 73 HZ1 LYS 73 8.011 16.828 0.488 601 HZ2 LYS 73 HZ2 LYS 73 8.855 17.549 1.763 602 HZ3 LYS 73 HZ3 LYS 73 7.167 17.490 1.796 603 H GLU 74 HN GLU 74 6.283 13.467 7.297 604 HA GLU 74 HA GLU 74 4.388 11.917 8.502 605 HB2 GLU 74 HB2 GLU 74 6.357 12.377 9.680 606 HB3 GLU 74 HB1 GLU 74 6.108 14.112 9.617 607 HG2 GLU 74 HG2 GLU 74 4.107 13.783 11.076 608 HG3 GLU 74 HG1 GLU 74 4.593 12.100 11.255 609 H ASN 75 HN ASN 75 4.188 15.372 7.922 610 HA ASN 75 HA ASN 75 1.670 15.484 9.416 611 HB2 ASN 75 HB2 ASN 75 3.722 17.400 8.665 612 HB3 ASN 75 HB1 ASN 75 2.088 17.987 8.385 613 HD21 ASN 75 HD21 ASN 75 3.067 15.730 10.872 614 HD22 ASN 75 HD22 ASN 75 2.711 16.752 12.214 615 H ALA 76 HN ALA 76 2.119 14.236 6.721 616 HA ALA 76 HA ALA 76 -0.002 15.708 5.303 617 HB1 ALA 76 HB1 ALA 76 2.207 14.177 3.927 618 HB2 ALA 76 HB2 ALA 76 2.200 15.925 4.161 619 HB3 ALA 76 HB3 ALA 76 0.956 15.163 3.173 620 H VAL 77 HN VAL 77 -1.731 14.666 4.837 621 HA VAL 77 HA VAL 77 -1.701 11.744 4.679 622 HB VAL 77 HB VAL 77 -2.490 11.916 6.847 623 HG11 VAL 77 HG11 VAL 77 -2.632 14.415 6.795 624 HG12 VAL 77 HG12 VAL 77 -3.819 13.590 7.810 625 HG13 VAL 77 HG13 VAL 77 -4.295 14.228 6.229 626 HG21 VAL 77 HG21 VAL 77 -4.893 11.962 5.039 627 HG22 VAL 77 HG22 VAL 77 -5.014 11.655 6.772 628 HG23 VAL 77 HG23 VAL 77 -4.077 10.568 5.747 629 HA PRO 78 HA PRO 78 -3.783 12.297 0.833 630 HB2 PRO 78 HB2 PRO 78 -5.486 10.083 1.090 631 HB3 PRO 78 HB1 PRO 78 -3.848 10.063 0.417 632 HG2 PRO 78 HG2 PRO 78 -4.768 9.362 3.145 633 HG3 PRO 78 HG1 PRO 78 -3.500 8.621 2.145 634 HD2 PRO 78 HD2 PRO 78 -2.853 10.221 4.155 635 HD3 PRO 78 HD1 PRO 78 -1.961 10.297 2.622 636 H THR 79 HN THR 79 -4.976 14.128 1.088 637 HA THR 79 HA THR 79 -7.652 13.874 2.242 638 HB THR 79 HB THR 79 -6.029 15.753 2.913 639 HG1 THR 79 HG1 THR 79 -8.668 16.367 2.006 640 HG21 THR 79 HG21 THR 79 -6.049 17.750 1.497 641 HG22 THR 79 HG22 THR 79 -6.955 16.873 0.266 642 HG23 THR 79 HG23 THR 79 -5.308 16.386 0.658 643 H ILE 80 HN ILE 80 -5.994 13.866 -0.655 644 HA ILE 80 HA ILE 80 -7.930 15.087 -2.371 645 HB ILE 80 HB ILE 80 -5.945 13.124 -3.419 646 HG12 ILE 80 HG12 ILE 80 -4.986 14.812 -1.579 647 HG13 ILE 80 HG11 ILE 80 -4.073 14.368 -3.014 648 HG21 ILE 80 HG21 ILE 80 -7.439 14.195 -4.968 649 HG22 ILE 80 HG22 ILE 80 -5.793 14.772 -5.238 650 HG23 ILE 80 HG23 ILE 80 -6.961 15.786 -4.386 651 HD11 ILE 80 HD11 ILE 80 -5.211 16.476 -4.034 652 HD12 ILE 80 HD12 ILE 80 -3.806 16.630 -2.980 653 HD13 ILE 80 HD13 ILE 80 -5.422 16.929 -2.340 654 H PHE 81 HN PHE 81 -8.322 12.433 -0.613 655 HA PHE 81 HA PHE 81 -8.928 10.265 -2.150 656 HB2 PHE 81 HB2 PHE 81 -10.268 11.340 0.304 657 HB3 PHE 81 HB1 PHE 81 -10.883 9.901 -0.489 658 HD1 PHE 81 HD1 PHE 81 -7.668 9.426 -1.226 659 HD2 PHE 81 HD2 PHE 81 -10.106 9.686 2.252 660 HE1 PHE 81 HE1 PHE 81 -6.078 8.014 -0.017 661 HE2 PHE 81 HE2 PHE 81 -8.498 8.274 3.472 662 HZ PHE 81 HZ PHE 81 -6.483 7.437 2.331 663 H LEU 82 HN LEU 82 -11.082 13.055 -1.613 664 HA LEU 82 HA LEU 82 -12.303 12.762 -4.141 665 HB2 LEU 82 HB2 LEU 82 -13.227 10.857 -2.504 666 HB3 LEU 82 HB1 LEU 82 -14.295 12.162 -2.025 667 HG LEU 82 HG LEU 82 -14.656 12.380 -4.639 668 HD11 LEU 82 HD11 LEU 82 -13.908 9.481 -4.279 669 HD12 LEU 82 HD12 LEU 82 -13.061 10.668 -5.271 670 HD13 LEU 82 HD13 LEU 82 -14.697 10.168 -5.700 671 HD21 LEU 82 HD21 LEU 82 -15.946 10.336 -2.846 672 HD22 LEU 82 HD22 LEU 82 -16.602 10.876 -4.391 673 HD23 LEU 82 HD23 LEU 82 -16.423 12.020 -3.061 674 H GLU 83 HN GLU 83 -14.311 14.140 -4.304 675 HA GLU 83 HA GLU 83 -13.821 16.696 -3.161 676 HB2 GLU 83 HB2 GLU 83 -14.808 16.485 -5.390 677 HB3 GLU 83 HB1 GLU 83 -16.193 15.637 -4.725 678 HG2 GLU 83 HG2 GLU 83 -16.853 17.648 -3.508 679 HG3 GLU 83 HG1 GLU 83 -15.459 18.506 -4.161 680 H LEU 84 HN LEU 84 -16.480 14.378 -2.834 681 HA LEU 84 HA LEU 84 -16.762 14.753 -0.042 682 HB2 LEU 84 HB2 LEU 84 -17.883 16.822 -1.319 683 HB3 LEU 84 HB1 LEU 84 -19.206 15.686 -1.479 684 HG LEU 84 HG LEU 84 -19.398 17.246 0.465 685 HD11 LEU 84 HD11 LEU 84 -20.076 15.527 2.078 686 HD12 LEU 84 HD12 LEU 84 -19.254 14.306 1.106 687 HD13 LEU 84 HD13 LEU 84 -20.642 15.172 0.445 688 HD21 LEU 84 HD21 LEU 84 -18.019 16.992 2.385 689 HD22 LEU 84 HD22 LEU 84 -16.946 17.201 1.000 690 HD23 LEU 84 HD23 LEU 84 -17.196 15.596 1.689 691 H VAL 85 HN VAL 85 -18.847 14.117 -2.851 692 HA VAL 85 HA VAL 85 -19.182 11.360 -1.926 693 HB VAL 85 HB VAL 85 -21.610 11.557 -2.785 694 HG11 VAL 85 HG11 VAL 85 -22.427 12.198 -0.614 695 HG12 VAL 85 HG12 VAL 85 -20.915 13.028 -0.245 696 HG13 VAL 85 HG13 VAL 85 -20.940 11.271 -0.411 697 HG21 VAL 85 HG21 VAL 85 -21.120 14.475 -2.199 698 HG22 VAL 85 HG22 VAL 85 -22.643 13.729 -2.680 699 HG23 VAL 85 HG23 VAL 85 -21.297 13.793 -3.816 700 HA PRO 86 HA PRO 86 -18.204 10.423 -6.146 701 HB2 PRO 86 HB2 PRO 86 -19.581 8.054 -6.441 702 HB3 PRO 86 HB1 PRO 86 -18.008 8.198 -5.635 703 HG2 PRO 86 HG2 PRO 86 -20.721 7.996 -4.450 704 HG3 PRO 86 HG1 PRO 86 -19.186 7.296 -3.898 705 HD2 PRO 86 HD2 PRO 86 -20.276 9.478 -2.754 706 HD3 PRO 86 HD1 PRO 86 -18.526 9.225 -2.847 707 H ARG 87 HN ARG 87 -19.126 10.235 -8.245 708 HA ARG 87 HA ARG 87 -21.909 11.178 -8.369 709 HB2 ARG 87 HB2 ARG 87 -21.227 12.246 -10.540 710 HB3 ARG 87 HB1 ARG 87 -20.461 12.929 -9.112 711 HG2 ARG 87 HG2 ARG 87 -18.464 11.528 -9.582 712 HG3 ARG 87 HG1 ARG 87 -19.227 11.030 -11.096 713 HD2 ARG 87 HD2 ARG 87 -17.699 12.835 -11.543 714 HD3 ARG 87 HD1 ARG 87 -19.351 13.412 -11.758 715 HE ARG 87 HE ARG 87 -19.162 14.521 -9.614 716 HH11 ARG 87 HH11 ARG 87 -16.163 13.452 -11.086 717 HH12 ARG 87 HH12 ARG 87 -15.178 14.522 -10.141 718 HH21 ARG 87 HH21 ARG 87 -17.869 15.915 -8.374 719 HH22 ARG 87 HH22 ARG 87 -16.148 15.931 -8.606 720 H5' DG 1 H5' G 1 30.620 -1.715 -8.538 721 H5'' DG 1 H5'' G 1 29.672 -2.463 -9.839 722 H4' DG 1 H4' G 1 30.420 -4.236 -8.500 723 H3' DG 1 H3' G 1 27.807 -4.117 -8.919 724 H2' DG 1 H2' G 1 27.166 -2.744 -7.069 725 H2'' DG 1 H2'' G 1 26.921 -4.345 -6.384 726 H1' DG 1 H1' G 1 28.964 -4.298 -5.177 727 H8 DG 1 H8 G 1 28.154 -0.740 -6.484 728 H1 DG 1 H1 G 1 29.207 -1.260 -0.175 729 H21 DG 1 H21 G 1 29.822 -4.604 -0.854 730 H22 DG 1 H22 G 1 29.717 -3.331 0.342 731 HO5' DG 1 H5T G 1 28.891 -0.564 -8.267 732 H5' DC 2 H5' C 2 29.122 -7.127 -5.603 733 H5'' DC 2 H5'' C 2 28.604 -8.668 -6.312 734 H4' DC 2 H4' C 2 28.660 -9.071 -4.018 735 H3' DC 2 H3' C 2 26.314 -9.535 -5.165 736 H2' DC 2 H2' C 2 25.326 -7.359 -4.933 737 H2'' DC 2 H2'' C 2 24.705 -8.158 -3.496 738 H1' DC 2 H1' C 2 26.303 -7.145 -2.063 739 H41 DC 2 H41 C 2 25.296 -1.127 -4.665 740 H42 DC 2 H42 C 2 25.518 -0.929 -2.950 741 H5 DC 2 H5 C 2 25.474 -3.302 -5.772 742 H6 DC 2 H6 C 2 25.941 -5.674 -5.437 743 H5' DT 3 H5' T 3 26.419 -9.513 -0.586 744 H5'' DT 3 H5'' T 3 25.955 -11.174 -0.166 745 H4' DT 3 H4' T 3 25.478 -9.957 1.751 746 H3' DT 3 H3' T 3 23.392 -11.230 0.724 747 H2' DT 3 H2' T 3 22.572 -9.529 -0.750 748 H2'' DT 3 H2'' T 3 21.594 -9.227 0.677 749 H1' DT 3 H1' T 3 22.946 -7.418 1.398 750 H3 DT 3 H3 T 3 22.984 -3.837 -1.221 751 H71 DT 3 H71 T 3 23.458 -8.055 -4.510 752 H72 DT 3 H72 T 3 21.826 -7.351 -4.574 753 H73 DT 3 H73 T 3 23.230 -6.387 -5.086 754 H6 DT 3 H6 T 3 23.262 -8.519 -2.102 755 H5' DT 4 H5' T 4 22.805 -8.230 4.009 756 H5'' DT 4 H5'' T 4 22.212 -9.221 5.357 757 H4' DT 4 H4' T 4 21.678 -7.044 5.970 758 H3' DT 4 H3' T 4 19.607 -8.694 5.859 759 H2' DT 4 H2' T 4 18.977 -8.382 3.565 760 H2'' DT 4 H2'' T 4 17.913 -7.232 4.361 761 H1' DT 4 H1' T 4 19.301 -5.376 3.844 762 H3 DT 4 H3 T 4 19.721 -4.317 -0.437 763 H71 DT 4 H71 T 4 19.199 -9.586 -0.263 764 H72 DT 4 H72 T 4 20.878 -9.281 -0.767 765 H73 DT 4 H73 T 4 19.530 -8.696 -1.769 766 H6 DT 4 H6 T 4 19.884 -8.469 1.910 767 H5' DG 5 H5' G 5 18.828 -4.106 6.495 768 H5'' DG 5 H5'' G 5 18.039 -4.204 8.079 769 H4' DG 5 H4' G 5 17.374 -2.140 7.270 770 H3' DG 5 H3' G 5 15.364 -3.790 7.793 771 H2' DG 5 H2' G 5 15.172 -4.866 5.657 772 H2'' DG 5 H2'' G 5 13.980 -3.586 5.489 773 H1' DG 5 H1' G 5 15.440 -2.196 4.223 774 H8 DG 5 H8 G 5 16.628 -5.868 4.374 775 H1 DG 5 H1 G 5 16.448 -3.203 -1.457 776 H21 DG 5 H21 G 5 15.625 -0.295 0.253 777 H22 DG 5 H22 G 5 15.932 -1.042 -1.298 778 H5' DT 6 H5' T 6 14.313 0.151 5.523 779 H5'' DT 6 H5'' T 6 13.219 0.915 6.695 780 H4' DT 6 H4' T 6 12.664 1.917 4.674 781 H3' DT 6 H3' T 6 10.655 0.676 5.877 782 H2' DT 6 H2' T 6 10.906 -1.500 4.916 783 H2'' DT 6 H2'' T 6 9.701 -0.798 3.855 784 H1' DT 6 H1' T 6 11.310 -0.277 2.167 785 H3 DT 6 H3 T 6 13.334 -3.744 0.206 786 H71 DT 6 H71 T 6 12.078 -6.030 4.281 787 H72 DT 6 H72 T 6 13.845 -5.865 4.407 788 H73 DT 6 H73 T 6 12.782 -4.896 5.457 789 H6 DT 6 H6 T 6 12.184 -2.750 4.731 790 H5' DG 7 H5' G 7 10.285 2.475 1.760 791 H5'' DG 7 H5'' G 7 8.918 3.599 1.853 792 H4' DG 7 H4' G 7 9.226 3.262 -0.423 793 H3' DG 7 H3' G 7 6.796 2.659 0.438 794 H2' DG 7 H2' G 7 7.147 0.348 1.005 795 H2'' DG 7 H2'' G 7 6.510 0.206 -0.627 796 H1' DG 7 H1' G 7 8.659 -0.101 -1.589 797 H8 DG 7 H8 G 7 9.109 -0.485 2.243 798 H1 DG 7 H1 G 7 10.599 -5.587 -1.358 799 H21 DG 7 H21 G 7 9.792 -3.532 -4.028 800 H22 DG 7 H22 G 7 10.341 -5.105 -3.500 801 H5' DT 8 H5' T 8 7.794 0.592 -3.692 802 H5'' DT 8 H5'' T 8 6.745 1.659 -4.645 803 H4' DT 8 H4' T 8 6.828 -0.242 -5.944 804 H3' DT 8 H3' T 8 4.381 0.350 -5.103 805 H2' DT 8 H2' T 8 4.370 -0.885 -3.042 806 H2'' DT 8 H2'' T 8 3.619 -2.042 -4.127 807 H1' DT 8 H1' T 8 5.633 -3.262 -4.445 808 H3 DT 8 H3 T 8 7.173 -5.465 -0.935 809 H71 DT 8 H71 T 8 5.465 -0.642 0.805 810 H72 DT 8 H72 T 8 5.025 -2.102 1.720 811 H73 DT 8 H73 T 8 6.710 -1.528 1.717 812 H6 DT 8 H6 T 8 5.478 -1.037 -1.491 813 H5' DG 9 H5' G 9 4.758 -4.197 -7.033 814 H5'' DG 9 H5'' G 9 3.901 -3.528 -8.436 815 H4' DG 9 H4' G 9 3.452 -5.786 -8.596 816 H3' DG 9 H3' G 9 1.277 -4.297 -8.291 817 H2' DG 9 H2' G 9 1.120 -4.293 -5.906 818 H2'' DG 9 H2'' G 9 0.071 -5.651 -6.294 819 H1' DG 9 H1' G 9 1.730 -7.269 -5.788 820 H8 DG 9 H8 G 9 1.972 -3.833 -4.194 821 H1 DG 9 H1 G 9 4.034 -8.656 -0.498 822 H21 DG 9 H21 G 9 3.849 -10.553 -3.374 823 H22 DG 9 H22 G 9 4.240 -10.499 -1.672 824 H5' DG 10 H5' G 10 0.655 -8.986 -8.277 825 H5'' DG 10 H5'' G 10 -0.498 -9.084 -9.620 826 H4' DG 10 H4' G 10 -0.875 -11.033 -8.448 827 H3' DG 10 H3' G 10 -3.031 -9.504 -8.615 828 H2' DG 10 H2' G 10 -2.764 -8.192 -6.621 829 H2'' DG 10 H2'' G 10 -3.787 -9.492 -6.016 830 H1' DG 10 H1' G 10 -1.986 -10.653 -5.032 831 H8 DG 10 H8 G 10 -1.218 -6.948 -5.787 832 H1 DG 10 H1 G 10 0.466 -9.100 0.022 833 H21 DG 10 H21 G 10 -0.176 -12.229 -1.289 834 H22 DG 10 H22 G 10 0.349 -11.302 0.093 835 H5' DG 11 H5' G 11 -2.974 -12.438 -5.207 836 H5'' DG 11 H5'' G 11 -3.434 -13.574 -6.492 837 H4' DG 11 H4' G 11 -3.657 -14.853 -4.593 838 H3' DG 11 H3' G 11 -5.922 -14.532 -5.924 839 H2' DG 11 H2' G 11 -6.747 -12.565 -4.862 840 H2'' DG 11 H2'' G 11 -7.551 -13.799 -3.902 841 H1' DG 11 H1' G 11 -5.985 -13.638 -2.123 842 H8 DG 11 H8 G 11 -6.035 -10.561 -4.470 843 H1 DG 11 H1 G 11 -5.693 -9.351 1.831 844 H21 DG 11 H21 G 11 -5.196 -12.759 2.137 845 H22 DG 11 H22 G 11 -5.299 -11.209 2.939 846 H5' DC 12 H5' C 12 -5.929 -16.658 -1.864 847 H5'' DC 12 H5'' C 12 -6.514 -18.260 -2.348 848 H4' DC 12 H4' C 12 -6.863 -18.188 -0.054 849 H3' DC 12 H3' C 12 -9.035 -18.642 -1.499 850 H2' DC 12 H2' C 12 -9.779 -16.407 -1.837 851 H2'' DC 12 H2'' C 12 -10.704 -16.828 -0.403 852 H1' DC 12 H1' C 12 -9.226 -15.686 1.063 853 H41 DC 12 H41 C 12 -9.202 -10.199 -2.696 854 H42 DC 12 H42 C 12 -9.083 -9.747 -1.028 855 H5 DC 12 H5 C 12 -9.146 -12.607 -3.366 856 H6 DC 12 H6 C 12 -8.986 -14.897 -2.541 857 H5' DA 13 H5' A 13 -9.479 -18.473 3.196 858 H5'' DA 13 H5'' A 13 -10.458 -19.906 3.573 859 H4' DA 13 H4' A 13 -10.717 -18.307 5.330 860 H3' DA 13 H3' A 13 -12.876 -19.467 4.320 861 H2' DA 13 H2' A 13 -13.364 -17.934 2.546 862 H2'' DA 13 H2'' A 13 -14.381 -17.279 3.824 863 H1' DA 13 H1' A 13 -12.851 -15.557 4.365 864 H8 DA 13 H8 A 13 -12.161 -17.064 0.836 865 H61 DA 13 H61 A 13 -11.975 -12.787 -1.499 866 H62 DA 13 H62 A 13 -12.043 -11.121 -0.970 867 H2 DA 13 H2 A 13 -12.480 -11.246 3.504 868 H5' DG 14 H5' G 14 -13.729 -15.865 7.452 869 H5'' DG 14 H5'' G 14 -14.576 -16.892 8.627 870 H4' DG 14 H4' G 14 -15.340 -14.731 9.056 871 H3' DG 14 H3' G 14 -17.248 -16.497 8.545 872 H2' DG 14 H2' G 14 -17.371 -16.268 6.161 873 H2'' DG 14 H2'' G 14 -18.629 -15.146 6.661 874 H1' DG 14 H1' G 14 -17.256 -13.240 6.359 875 H8 DG 14 H8 G 14 -15.971 -16.409 4.587 876 H1 DG 14 H1 G 14 -15.748 -10.995 1.145 877 H21 DG 14 H21 G 14 -16.760 -9.457 4.088 878 H22 DG 14 H22 G 14 -16.334 -9.269 2.400 879 H5' DC 15 H5' C 15 -18.825 -11.965 8.954 880 H5'' DC 15 H5'' C 15 -20.090 -12.178 10.180 881 H4' DC 15 H4' C 15 -20.747 -10.307 8.951 882 H3' DC 15 H3' C 15 -22.506 -12.294 9.048 883 H2' DC 15 H2' C 15 -21.894 -13.504 7.126 884 H2'' DC 15 H2'' C 15 -23.125 -12.468 6.425 885 H1' DC 15 H1' C 15 -21.549 -10.981 5.483 886 H41 DC 15 H41 C 15 -18.476 -16.145 2.842 887 H42 DC 15 H42 C 15 -18.298 -14.821 1.719 888 H5 DC 15 H5 C 15 -19.414 -15.875 5.062 889 H6 DC 15 H6 C 15 -20.446 -14.291 6.605 890 H5' DG 16 H5' G 16 -25.707 -8.297 8.174 891 H5'' DG 16 H5'' G 16 -27.132 -9.152 7.579 892 H4' DG 16 H4' G 16 -26.714 -6.855 6.634 893 H3' DG 16 H3' G 16 -27.914 -8.861 5.366 894 H2' DG 16 H2' G 16 -26.227 -9.913 4.280 895 H2'' DG 16 H2'' G 16 -26.629 -8.749 3.022 896 H1' DG 16 H1' G 16 -24.750 -7.419 3.486 897 H8 DG 16 H8 G 16 -23.743 -9.860 6.227 898 H1 DG 16 H1 G 16 -22.175 -11.835 0.347 899 H21 DG 16 H21 G 16 -23.622 -8.891 -0.742 900 H22 DG 16 H22 G 16 -22.783 -10.362 -1.156 901 H5' DC 17 H5' C 17 -23.572 -15.755 -6.118 902 H5'' DC 17 H5'' C 17 -22.167 -16.271 -7.063 903 H4' DC 17 H4' C 17 -22.502 -13.861 -7.149 904 H3' DC 17 H3' C 17 -20.064 -14.882 -6.984 905 H2' DC 17 H2' C 17 -19.859 -15.059 -4.605 906 H2'' DC 17 H2'' C 17 -19.123 -13.487 -4.878 907 H1' DC 17 H1' C 17 -21.049 -12.304 -4.201 908 H41 DC 17 H41 C 17 -21.569 -16.090 1.166 909 H42 DC 17 H42 C 17 -22.037 -14.481 1.645 910 H5 DC 17 H5 C 17 -21.118 -16.718 -1.126 911 H6 DC 17 H6 C 17 -20.921 -15.898 -3.414 912 H5' DG 18 H5' G 18 -20.588 -10.325 -6.426 913 H5'' DG 18 H5'' G 18 -19.553 -9.630 -7.688 914 H4' DG 18 H4' G 18 -19.870 -7.941 -6.083 915 H3' DG 18 H3' G 18 -17.356 -8.481 -6.721 916 H2' DG 18 H2' G 18 -16.881 -10.179 -5.106 917 H2'' DG 18 H2'' G 18 -16.309 -8.755 -4.249 918 H1' DG 18 H1' G 18 -18.245 -8.604 -2.904 919 H8 DG 18 H8 G 18 -17.720 -11.998 -4.623 920 H1 DG 18 H1 G 18 -19.367 -12.258 1.565 921 H21 DG 18 H21 G 18 -19.842 -8.838 1.289 922 H22 DG 18 H22 G 18 -19.890 -10.262 2.306 923 H5' DC 19 H5' C 19 -18.275 -5.482 -3.401 924 H5'' DC 19 H5'' C 19 -17.319 -4.019 -3.698 925 H4' DC 19 H4' C 19 -17.955 -4.111 -1.389 926 H3' DC 19 H3' C 19 -15.466 -3.472 -2.021 927 H2' DC 19 H2' C 19 -14.505 -5.672 -2.100 928 H2'' DC 19 H2'' C 19 -14.126 -5.205 -0.448 929 H1' DC 19 H1' C 19 -15.927 -6.445 0.470 930 H41 DC 19 H41 C 19 -14.630 -11.915 -3.039 931 H42 DC 19 H42 C 19 -15.004 -12.393 -1.401 932 H5 DC 19 H5 C 19 -14.735 -9.580 -3.780 933 H6 DC 19 H6 C 19 -15.247 -7.296 -3.087 934 H5' DT 20 H5' T 20 -15.867 -4.663 2.566 935 H5'' DT 20 H5'' T 20 -15.624 -3.035 3.225 936 H4' DT 20 H4' T 20 -14.929 -4.417 4.937 937 H3' DT 20 H3' T 20 -13.012 -2.792 4.113 938 H2' DT 20 H2' T 20 -12.055 -4.165 2.382 939 H2'' DT 20 H2'' T 20 -11.018 -4.570 3.743 940 H1' DT 20 H1' T 20 -12.149 -6.600 4.189 941 H3 DT 20 H3 T 20 -12.335 -9.796 1.086 942 H71 DT 20 H71 T 20 -12.848 -6.404 -2.253 943 H72 DT 20 H72 T 20 -11.101 -6.285 -1.937 944 H73 DT 20 H73 T 20 -12.194 -4.990 -1.395 945 H6 DT 20 H6 T 20 -12.467 -5.028 0.911 946 H5' DG 21 H5' G 21 -11.714 -6.282 7.191 947 H5'' DG 21 H5'' G 21 -11.219 -5.164 8.478 948 H4' DG 21 H4' G 21 -10.052 -7.114 8.956 949 H3' DG 21 H3' G 21 -8.516 -4.998 8.557 950 H2' DG 21 H2' G 21 -8.178 -5.184 6.193 951 H2'' DG 21 H2'' G 21 -6.755 -6.026 6.789 952 H1' DG 21 H1' G 21 -7.696 -8.172 6.435 953 H8 DG 21 H8 G 21 -8.998 -5.241 4.391 954 H1 DG 21 H1 G 21 -8.920 -10.878 1.332 955 H21 DG 21 H21 G 21 -8.274 -12.215 4.471 956 H22 DG 21 H22 G 21 -8.537 -12.519 2.771 957 H5' DC 22 H5' C 22 -6.601 -9.039 8.764 958 H5'' DC 22 H5'' C 22 -5.594 -8.953 10.222 959 H4' DC 22 H4' C 22 -4.733 -10.765 9.064 960 H3' DC 22 H3' C 22 -2.974 -8.837 9.527 961 H2' DC 22 H2' C 22 -3.260 -7.529 7.551 962 H2'' DC 22 H2'' C 22 -1.931 -8.567 7.048 963 H1' DC 22 H1' C 22 -3.333 -10.015 5.814 964 H41 DC 22 H41 C 22 -5.872 -4.874 2.528 965 H42 DC 22 H42 C 22 -5.977 -6.302 1.551 966 H5 DC 22 H5 C 22 -5.323 -5.093 5.013 967 H6 DC 22 H6 C 22 -4.474 -6.655 6.689 968 H5' DC 23 H5' C 23 -1.674 -12.104 6.309 969 H5'' DC 23 H5'' C 23 -0.964 -12.844 7.755 970 H4' DC 23 H4' C 23 0.065 -14.019 6.079 971 H3' DC 23 H3' C 23 1.788 -12.609 7.521 972 H2' DC 23 H2' C 23 1.784 -10.569 6.269 973 H2'' DC 23 H2'' C 23 3.155 -11.390 5.537 974 H1' DC 23 H1' C 23 1.913 -12.110 3.659 975 H41 DC 23 H41 C 23 -0.182 -5.978 2.579 976 H42 DC 23 H42 C 23 -0.003 -6.755 1.028 977 H5 DC 23 H5 C 23 0.060 -7.198 4.683 978 H6 DC 23 H6 C 23 0.446 -9.369 5.691 979 H5' DC 24 H5' C 24 3.229 -14.591 3.649 980 H5'' DC 24 H5'' C 24 4.319 -15.775 4.394 981 H4' DC 24 H4' C 24 4.966 -15.766 2.175 982 H3' DC 24 H3' C 24 6.896 -15.094 3.865 983 H2' DC 24 H2' C 24 6.577 -12.728 3.930 984 H2'' DC 24 H2'' C 24 7.804 -12.852 2.676 985 H1' DC 24 H1' C 24 6.226 -12.636 0.916 986 H41 DC 24 H41 C 24 3.734 -7.209 3.678 987 H42 DC 24 H42 C 24 3.508 -7.067 1.950 988 H5 DC 24 H5 C 24 4.575 -9.252 4.720 989 H6 DC 24 H6 C 24 5.356 -11.523 4.296 990 H5' DA 25 H5' A 25 7.453 -14.716 -0.601 991 H5'' DA 25 H5'' A 25 8.687 -15.960 -0.855 992 H4' DA 25 H4' A 25 8.680 -14.743 -2.832 993 H3' DA 25 H3' A 25 11.033 -14.829 -1.616 994 H2' DA 25 H2' A 25 10.849 -12.884 -0.232 995 H2'' DA 25 H2'' A 25 11.666 -12.218 -1.636 996 H1' DA 25 H1' A 25 9.682 -11.285 -2.532 997 H8 DA 25 H8 A 25 9.392 -12.134 1.244 998 H61 DA 25 H61 A 25 7.707 -7.789 2.624 999 H62 DA 25 H62 A 25 7.221 -6.347 1.745 1000 H2 DA 25 H2 A 25 7.722 -7.280 -2.611 1001 H5' DC 26 H5' C 26 10.216 -12.115 -5.045 1002 H5'' DC 26 H5'' C 26 11.258 -12.814 -6.297 1003 H4' DC 26 H4' C 26 10.647 -10.773 -7.187 1004 H3' DC 26 H3' C 26 13.263 -11.061 -6.892 1005 H2' DC 26 H2' C 26 13.511 -10.189 -4.675 1006 H2'' DC 26 H2'' C 26 13.852 -8.754 -5.628 1007 H1' DC 26 H1' C 26 11.665 -7.865 -5.324 1008 H41 DC 26 H41 C 26 11.744 -8.905 1.196 1009 H42 DC 26 H42 C 26 11.125 -7.288 0.918 1010 H5 DC 26 H5 C 26 12.303 -10.426 -0.599 1011 H6 DC 26 H6 C 26 12.389 -10.705 -3.026 1012 H5' DA 27 H5' A 27 11.756 -6.766 -8.394 1013 H5'' DA 27 H5'' A 27 12.682 -6.689 -9.907 1014 H4' DA 27 H4' A 27 12.201 -4.467 -9.321 1015 H3' DA 27 H3' A 27 14.755 -5.020 -9.763 1016 H2' DA 27 H2' A 27 15.414 -5.660 -7.551 1017 H2'' DA 27 H2'' A 27 15.848 -3.956 -7.541 1018 H1' DA 27 H1' A 27 13.907 -3.322 -6.336 1019 H8 DA 27 H8 A 27 14.670 -7.108 -6.122 1020 H61 DA 27 H61 A 27 14.282 -7.509 -1.311 1021 H62 DA 27 H62 A 27 13.837 -6.408 -0.026 1022 H2 DA 27 H2 A 27 12.904 -2.487 -2.028 1023 H5' DC 28 H5' C 28 13.715 -0.931 -7.949 1024 H5'' DC 28 H5'' C 28 14.319 0.212 -9.164 1025 H4' DC 28 H4' C 28 14.170 1.468 -7.214 1026 H3' DC 28 H3' C 28 16.583 1.425 -8.303 1027 H2' DC 28 H2' C 28 17.478 -0.505 -7.199 1028 H2'' DC 28 H2'' C 28 18.065 0.778 -6.156 1029 H1' DC 28 H1' C 28 16.356 0.423 -4.534 1030 H41 DC 28 H41 C 28 17.350 -6.117 -4.481 1031 H42 DC 28 H42 C 28 16.978 -5.628 -2.849 1032 H5 DC 28 H5 C 28 17.255 -4.568 -6.371 1033 H6 DC 28 H6 C 28 16.871 -2.248 -7.025 1034 H5' DA 29 H5' A 29 16.102 3.409 -4.095 1035 H5'' DA 29 H5'' A 29 16.666 5.052 -4.449 1036 H4' DA 29 H4' A 29 16.896 4.851 -2.147 1037 H3' DA 29 H3' A 29 19.143 5.453 -3.413 1038 H2' DA 29 H2' A 29 19.961 3.248 -3.852 1039 H2'' DA 29 H2'' A 29 20.792 3.611 -2.349 1040 H1' DA 29 H1' A 29 19.266 2.347 -1.039 1041 H8 DA 29 H8 A 29 19.047 1.491 -4.806 1042 H61 DA 29 H61 A 29 19.487 -3.327 -4.321 1043 H62 DA 29 H62 A 29 19.584 -4.401 -2.945 1044 H2 DA 29 H2 A 29 19.341 -1.776 0.705 1045 H5' DA 30 H5' A 30 19.278 4.414 1.087 1046 H5'' DA 30 H5'' A 30 19.891 5.936 1.760 1047 H4' DA 30 H4' A 30 20.275 4.370 3.430 1048 H3' DA 30 H3' A 30 22.458 5.630 2.618 1049 H2' DA 30 H2' A 30 23.140 4.161 0.855 1050 H2'' DA 30 H2'' A 30 24.082 3.519 2.193 1051 H1' DA 30 H1' A 30 22.586 1.714 2.568 1052 H8 DA 30 H8 A 30 21.863 3.339 -0.885 1053 H61 DA 30 H61 A 30 22.238 -0.738 -3.511 1054 H62 DA 30 H62 A 30 22.516 -2.412 -3.104 1055 H2 DA 30 H2 A 30 22.942 -2.564 1.386 1056 H5' DG 31 H5' G 31 22.980 2.049 5.525 1057 H5'' DG 31 H5'' G 31 23.717 2.830 6.936 1058 H4' DG 31 H4' G 31 24.244 0.565 7.147 1059 H3' DG 31 H3' G 31 26.328 2.198 7.180 1060 H2' DG 31 H2' G 31 26.802 2.278 4.827 1061 H2'' DG 31 H2'' G 31 27.889 0.994 5.341 1062 H1' DG 31 H1' G 31 26.444 -0.728 4.580 1063 H8 DG 31 H8 G 31 25.576 2.726 3.076 1064 H1 DG 31 H1 G 31 25.928 -2.186 -1.039 1065 H21 DG 31 H21 G 31 26.468 -4.102 1.806 1066 H22 DG 31 H22 G 31 26.316 -4.084 0.070 1067 H5' DC 32 H5' C 32 27.331 -2.315 6.610 1068 H5'' DC 32 H5'' C 32 28.151 -2.630 8.153 1069 H4' DC 32 H4' C 32 28.926 -4.308 6.751 1070 H3' DC 32 H3' C 32 30.840 -2.785 7.764 1071 HO3' DC 32 H3T C 32 31.346 -4.590 5.629 1072 H2' DC 32 H2' C 32 30.947 -1.092 6.068 1073 H2'' DC 32 H2'' C 32 32.194 -2.197 5.498 1074 H1' DC 32 H1' C 32 30.802 -3.182 3.869 1075 H41 DC 32 H41 C 32 28.696 2.658 1.632 1076 H42 DC 32 H42 C 32 28.648 1.545 0.278 1077 H5 DC 32 H5 C 32 29.289 1.974 3.877 1078 H6 DC 32 H6 C 32 29.880 0.071 5.285
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