NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
26007 | 2kdz | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 1 H1 LYS 1 3.141 16.848 7.823 2 H2 LYS 1 H2 LYS 1 2.363 17.965 8.820 3 H3 LYS 1 H3 LYS 1 1.460 17.030 7.739 4 HA LYS 1 HA LYS 1 2.973 16.053 10.092 5 HB2 LYS 1 HB3 LYS 1 0.967 17.167 10.786 6 HB3 LYS 1 HB2 LYS 1 0.006 16.318 9.550 7 HG2 LYS 1 HG3 LYS 1 0.376 14.196 10.701 8 HG3 LYS 1 HG2 LYS 1 1.376 15.020 11.922 9 HD2 LYS 1 HD3 LYS 1 -0.489 16.248 12.751 10 HD3 LYS 1 HD2 LYS 1 -1.506 15.765 11.372 11 HE2 LYS 1 HE3 LYS 1 -2.009 14.527 13.484 12 HE3 LYS 1 HE2 LYS 1 -1.549 13.477 12.122 13 HZ1 LYS 1 HZ1 LYS 1 0.383 14.371 14.193 14 HZ2 LYS 1 HZ2 LYS 1 0.580 13.145 13.047 15 HZ3 LYS 1 HZ3 LYS 1 -0.508 12.938 14.322 16 H VAL 2 H VAL 2 0.827 15.153 7.370 17 HA VAL 2 HA VAL 2 1.399 12.336 7.857 18 HB VAL 2 HB VAL 2 -0.145 11.873 5.991 19 HG11 VAL 2 HG11 VAL 2 -2.200 12.669 7.093 20 HG12 VAL 2 HG12 VAL 2 -1.231 13.801 8.067 21 HG13 VAL 2 HG13 VAL 2 -1.014 12.045 8.264 22 HG21 VAL 2 HG21 VAL 2 -0.450 14.889 5.855 23 HG22 VAL 2 HG22 VAL 2 -1.453 13.703 4.986 24 HG23 VAL 2 HG23 VAL 2 0.281 13.844 4.614 25 H LYS 3 H LYS 3 3.101 14.682 6.432 26 HA LYS 3 HA LYS 3 4.787 14.812 4.933 27 HB2 LYS 3 HB3 LYS 3 4.690 11.804 5.160 28 HB3 LYS 3 HB2 LYS 3 5.955 12.715 4.300 29 HG2 LYS 3 HG3 LYS 3 6.960 13.391 6.212 30 HG3 LYS 3 HG2 LYS 3 5.425 13.515 7.106 31 HD2 LYS 3 HD3 LYS 3 5.329 11.020 7.170 32 HD3 LYS 3 HD2 LYS 3 6.943 10.981 6.420 33 HE2 LYS 3 HE3 LYS 3 7.941 12.044 8.299 34 HE3 LYS 3 HE2 LYS 3 6.355 12.461 8.991 35 HZ1 LYS 3 HZ1 LYS 3 7.415 10.560 10.087 36 HZ2 LYS 3 HZ2 LYS 3 7.377 9.690 8.639 37 HZ3 LYS 3 HZ3 LYS 3 5.931 10.145 9.389 38 H PHE 4 H PHE 4 5.569 13.972 2.713 39 HA PHE 4 HA PHE 4 5.244 13.913 0.490 40 HB2 PHE 4 HB3 PHE 4 3.985 11.712 1.430 41 HB3 PHE 4 HB2 PHE 4 2.662 12.511 0.548 42 HD1 PHE 4 HD2 PHE 4 5.855 13.349 -0.796 43 HD2 PHE 4 HD1 PHE 4 2.841 10.320 -0.803 44 HE1 PHE 4 HE2 PHE 4 6.750 12.472 -2.920 45 HE2 PHE 4 HE1 PHE 4 3.732 9.440 -2.924 46 HZ PHE 4 HZ PHE 4 5.686 10.513 -3.990 47 H THR 5 H THR 5 3.510 14.246 -1.299 48 HA THR 5 HA THR 5 1.217 15.726 -1.049 49 HB THR 5 HB THR 5 2.777 17.372 0.173 50 HG1 THR 5 HG1 THR 5 0.734 17.955 -0.768 51 HG21 THR 5 HG21 THR 5 4.715 17.197 -1.322 52 HG22 THR 5 HG22 THR 5 4.112 18.870 -1.252 53 HG23 THR 5 HG23 THR 5 3.747 17.851 -2.665 54 H GLU 6 H GLU 6 0.866 17.090 -3.163 55 HA GLU 6 HA GLU 6 1.424 15.389 -5.350 56 HB2 GLU 6 HB3 GLU 6 0.335 18.191 -5.174 57 HB3 GLU 6 HB2 GLU 6 0.597 17.373 -6.733 58 HG2 GLU 6 HG3 GLU 6 -0.934 15.603 -6.095 59 HG3 GLU 6 HG2 GLU 6 -1.149 16.338 -4.488 60 H GLU 7 H GLU 7 2.886 18.481 -4.381 61 HA GLU 7 HA GLU 7 4.535 18.884 -6.594 62 HB2 GLU 7 HB3 GLU 7 5.134 19.560 -3.704 63 HB3 GLU 7 HB2 GLU 7 5.911 20.271 -5.139 64 HG2 GLU 7 HG3 GLU 7 3.666 21.127 -5.832 65 HG3 GLU 7 HG2 GLU 7 3.032 20.564 -4.267 66 H GLU 8 H GLU 8 5.148 16.973 -3.665 67 HA GLU 8 HA GLU 8 7.830 16.298 -4.438 68 HB2 GLU 8 HB3 GLU 8 6.036 15.739 -2.178 69 HB3 GLU 8 HB2 GLU 8 7.131 14.399 -2.597 70 HG2 GLU 8 HG3 GLU 8 8.166 15.742 -0.910 71 HG3 GLU 8 HG2 GLU 8 9.040 15.978 -2.443 72 H ASP 9 H ASP 9 4.663 14.827 -4.823 73 HA ASP 9 HA ASP 9 5.512 12.237 -5.597 74 HB2 ASP 9 HB3 ASP 9 3.224 12.633 -4.937 75 HB3 ASP 9 HB2 ASP 9 3.001 13.807 -6.257 76 H LEU 10 H LEU 10 4.929 15.215 -7.409 77 HA LEU 10 HA LEU 10 5.292 14.133 -10.004 78 HB2 LEU 10 HB3 LEU 10 5.811 16.942 -8.992 79 HB3 LEU 10 HB2 LEU 10 5.700 16.456 -10.701 80 HG LEU 10 HG LEU 10 3.447 16.272 -8.688 81 HD11 LEU 10 HD11 LEU 10 2.490 18.193 -9.898 82 HD12 LEU 10 HD12 LEU 10 3.967 18.299 -10.885 83 HD13 LEU 10 HD13 LEU 10 4.044 18.598 -9.132 84 HD21 LEU 10 HD21 LEU 10 3.498 15.911 -11.702 85 HD22 LEU 10 HD22 LEU 10 2.043 15.897 -10.678 86 HD23 LEU 10 HD23 LEU 10 3.276 14.627 -10.490 87 H LYS 11 H LYS 11 7.509 15.375 -7.572 88 HA LYS 11 HA LYS 11 9.843 15.401 -9.218 89 HB2 LYS 11 HB3 LYS 11 9.527 15.186 -6.208 90 HB3 LYS 11 HB2 LYS 11 11.077 15.416 -7.052 91 HG2 LYS 11 HG3 LYS 11 10.415 17.576 -7.833 92 HG3 LYS 11 HG2 LYS 11 8.748 17.334 -7.256 93 HD2 LYS 11 HD3 LYS 11 9.653 17.158 -4.924 94 HD3 LYS 11 HD2 LYS 11 11.256 17.592 -5.566 95 HE2 LYS 11 HE3 LYS 11 10.425 19.725 -6.342 96 HE3 LYS 11 HE2 LYS 11 8.762 19.286 -5.883 97 HZ1 LYS 11 HZ1 LYS 11 11.052 19.685 -4.024 98 HZ2 LYS 11 HZ2 LYS 11 9.500 19.182 -3.562 99 HZ3 LYS 11 HZ3 LYS 11 9.731 20.721 -4.237 100 H LEU 12 H LEU 12 8.200 12.973 -7.311 101 HA LEU 12 HA LEU 12 10.193 11.032 -7.083 102 HB2 LEU 12 HB3 LEU 12 8.021 10.936 -5.952 103 HB3 LEU 12 HB2 LEU 12 7.226 10.626 -7.514 104 HG LEU 12 HG LEU 12 8.528 8.503 -7.674 105 HD11 LEU 12 HD11 LEU 12 9.537 7.600 -5.617 106 HD12 LEU 12 HD12 LEU 12 9.240 9.151 -4.796 107 HD13 LEU 12 HD13 LEU 12 10.368 9.074 -6.170 108 HD21 LEU 12 HD21 LEU 12 6.735 8.829 -5.249 109 HD22 LEU 12 HD22 LEU 12 7.133 7.289 -6.048 110 HD23 LEU 12 HD23 LEU 12 6.205 8.531 -6.922 111 H GLN 13 H GLN 13 7.801 11.485 -9.689 112 HA GLN 13 HA GLN 13 8.546 9.373 -11.343 113 HB2 GLN 13 HB3 GLN 13 6.553 10.672 -11.757 114 HB3 GLN 13 HB2 GLN 13 7.523 12.132 -12.069 115 HG2 GLN 13 HG3 GLN 13 6.738 11.253 -14.155 116 HG3 GLN 13 HG2 GLN 13 8.498 11.007 -14.051 117 HE21 GLN 13 HE22 GLN 13 9.301 8.922 -13.829 118 HE22 GLN 13 HE21 GLN 13 8.333 7.522 -14.140 119 H GLN 14 H GLN 14 9.964 12.583 -11.036 120 HA GLN 14 HA GLN 14 11.762 12.313 -13.263 121 HB2 GLN 14 HB3 GLN 14 11.768 14.183 -10.874 122 HB3 GLN 14 HB2 GLN 14 12.874 14.306 -12.263 123 HG2 GLN 14 HG3 GLN 14 9.858 14.521 -12.393 124 HG3 GLN 14 HG2 GLN 14 10.996 15.889 -12.398 125 HE21 GLN 14 HE22 GLN 14 9.041 15.030 -14.402 126 HE22 GLN 14 HE21 GLN 14 9.934 14.801 -15.865 127 H LEU 15 H LEU 15 12.009 11.925 -9.761 128 HA LEU 15 HA LEU 15 14.782 11.382 -9.660 129 HB2 LEU 15 HB3 LEU 15 12.463 11.084 -7.837 130 HB3 LEU 15 HB2 LEU 15 13.901 10.096 -7.485 131 HG LEU 15 HG LEU 15 15.253 12.015 -7.158 132 HD11 LEU 15 HD11 LEU 15 14.437 14.318 -7.444 133 HD12 LEU 15 HD12 LEU 15 12.904 13.691 -8.096 134 HD13 LEU 15 HD13 LEU 15 14.425 13.418 -8.979 135 HD21 LEU 15 HD21 LEU 15 12.546 12.463 -5.867 136 HD22 LEU 15 HD22 LEU 15 14.088 13.161 -5.316 137 HD23 LEU 15 HD23 LEU 15 13.842 11.399 -5.268 138 H VAL 16 H VAL 16 11.965 9.212 -9.886 139 HA VAL 16 HA VAL 16 13.404 6.773 -9.729 140 HB VAL 16 HB VAL 16 10.777 7.373 -11.150 141 HG11 VAL 16 HG11 VAL 16 10.349 4.952 -10.988 142 HG12 VAL 16 HG12 VAL 16 11.983 4.711 -10.327 143 HG13 VAL 16 HG13 VAL 16 11.776 5.302 -11.993 144 HG21 VAL 16 HG21 VAL 16 11.353 6.255 -8.391 145 HG22 VAL 16 HG22 VAL 16 9.743 6.425 -9.128 146 HG23 VAL 16 HG23 VAL 16 10.710 7.873 -8.761 147 H MET 17 H MET 17 12.553 8.863 -12.436 148 HA MET 17 HA MET 17 13.428 7.148 -14.515 149 HB2 MET 17 HB3 MET 17 11.940 8.989 -14.958 150 HB3 MET 17 HB2 MET 17 13.138 10.160 -14.356 151 HG2 MET 17 HG3 MET 17 14.607 9.615 -16.236 152 HG3 MET 17 HG2 MET 17 13.399 8.456 -16.840 153 HE1 MET 17 HE1 MET 17 13.293 11.545 -19.350 154 HE2 MET 17 HE2 MET 17 13.626 9.804 -19.194 155 HE3 MET 17 HE3 MET 17 14.722 10.990 -18.446 156 H ARG 18 H ARG 18 15.087 9.599 -12.587 157 HA ARG 18 HA ARG 18 17.523 9.358 -14.134 158 HB2 ARG 18 HB3 ARG 18 16.756 10.973 -11.706 159 HB3 ARG 18 HB2 ARG 18 18.414 10.938 -12.355 160 HG2 ARG 18 HG3 ARG 18 17.843 12.103 -14.256 161 HG3 ARG 18 HG2 ARG 18 16.141 11.583 -14.196 162 HD2 ARG 18 HD3 ARG 18 16.477 13.998 -13.660 163 HD3 ARG 18 HD2 ARG 18 15.683 13.075 -12.361 164 HE ARG 18 HE ARG 18 18.571 13.395 -12.147 165 HH11 ARG 18 HH11 ARG 18 15.415 14.614 -11.255 166 HH12 ARG 18 HH12 ARG 18 15.978 15.379 -9.802 167 HH21 ARG 18 HH22 ARG 18 19.323 14.426 -10.238 168 HH22 ARG 18 HH21 ARG 18 18.191 15.267 -9.224 169 H TYR 19 H TYR 19 16.503 8.421 -10.846 170 HA TYR 19 HA TYR 19 19.134 7.296 -10.323 171 HB2 TYR 19 HB3 TYR 19 16.661 7.293 -8.586 172 HB3 TYR 19 HB2 TYR 19 18.296 6.787 -8.096 173 HD1 TYR 19 HD2 TYR 19 19.933 8.940 -9.365 174 HD2 TYR 19 HD1 TYR 19 16.240 9.167 -7.222 175 HE1 TYR 19 HE2 TYR 19 20.453 11.262 -8.717 176 HE2 TYR 19 HE1 TYR 19 16.758 11.487 -6.568 177 HH TYR 19 HH TYR 19 19.511 13.201 -7.906 178 H GLY 20 H GLY 20 15.917 6.067 -11.072 179 HA2 GLY 20 HA3 GLY 20 15.913 3.932 -12.303 180 HA3 GLY 20 HA2 GLY 20 17.128 3.363 -11.133 181 H ALA 21 H ALA 21 15.578 1.572 -10.904 182 HA ALA 21 HA ALA 21 13.318 2.281 -9.135 183 HB1 ALA 21 HB1 ALA 21 12.264 0.174 -9.857 184 HB2 ALA 21 HB2 ALA 21 13.638 -0.129 -10.947 185 HB3 ALA 21 HB3 ALA 21 12.574 1.272 -11.223 186 H LYS 22 H LYS 22 16.172 1.762 -8.444 187 HA LYS 22 HA LYS 22 15.601 -0.140 -6.305 188 HB2 LYS 22 HB3 LYS 22 16.661 -1.383 -8.264 189 HB3 LYS 22 HB2 LYS 22 18.154 -0.505 -7.853 190 HG2 LYS 22 HG3 LYS 22 18.252 -2.659 -6.817 191 HG3 LYS 22 HG2 LYS 22 17.982 -1.450 -5.538 192 HD2 LYS 22 HD3 LYS 22 15.412 -2.167 -6.343 193 HD3 LYS 22 HD2 LYS 22 16.316 -3.701 -6.375 194 HE2 LYS 22 HE3 LYS 22 16.280 -1.781 -4.027 195 HE3 LYS 22 HE2 LYS 22 15.213 -3.197 -4.183 196 HZ1 LYS 22 HZ1 LYS 22 17.118 -3.717 -2.827 197 HZ2 LYS 22 HZ2 LYS 22 18.185 -3.243 -4.048 198 HZ3 LYS 22 HZ3 LYS 22 17.203 -4.599 -4.269 199 H ASP 23 H ASP 23 17.684 2.338 -7.654 200 HA ASP 23 HA ASP 23 19.236 2.641 -5.233 201 HB2 ASP 23 HB3 ASP 23 19.995 3.163 -7.630 202 HB3 ASP 23 HB2 ASP 23 19.031 4.652 -7.483 203 H TRP 24 H TRP 24 16.706 2.708 -4.409 204 HA TRP 24 HA TRP 24 15.480 5.283 -4.369 205 HB2 TRP 24 HB3 TRP 24 15.092 2.932 -2.496 206 HB3 TRP 24 HB2 TRP 24 14.033 4.358 -2.621 207 HD1 TRP 24 HD1 TRP 24 14.787 1.022 -4.288 208 HE1 TRP 24 HE1 TRP 24 13.105 0.625 -6.188 209 HE3 TRP 24 HE3 TRP 24 12.568 5.637 -4.391 210 HZ2 TRP 24 HZ2 TRP 24 11.096 2.039 -7.552 211 HZ3 TRP 24 HZ3 TRP 24 10.758 6.041 -6.027 212 HH2 TRP 24 HH2 TRP 24 10.033 4.266 -7.580 213 H ILE 25 H ILE 25 18.151 4.006 -2.732 214 HA ILE 25 HA ILE 25 17.933 5.433 -0.272 215 HB ILE 25 HB ILE 25 20.579 5.188 -0.414 216 HG12 ILE 25 HG12 ILE 25 19.572 3.131 -2.400 217 HG13 ILE 25 HG13 ILE 25 20.630 4.517 -2.759 218 HG21 ILE 25 HG21 ILE 25 20.339 2.946 0.585 219 HG22 ILE 25 HG22 ILE 25 18.661 2.872 -0.003 220 HG23 ILE 25 HG23 ILE 25 19.126 4.088 1.210 221 HD11 ILE 25 HD11 ILE 25 22.378 3.550 -1.333 222 HD12 ILE 25 HD12 ILE 25 21.904 2.433 -2.634 223 HD13 ILE 25 HD13 ILE 25 21.320 2.164 -0.975 224 H ARG 26 H ARG 26 19.009 6.225 -3.475 225 HA ARG 26 HA ARG 26 20.389 8.629 -2.944 226 HB2 ARG 26 HB3 ARG 26 19.908 7.144 -5.155 227 HB3 ARG 26 HB2 ARG 26 18.717 8.445 -5.400 228 HG2 ARG 26 HG3 ARG 26 20.762 8.975 -6.568 229 HG3 ARG 26 HG2 ARG 26 20.537 10.107 -5.212 230 HD2 ARG 26 HD3 ARG 26 22.883 9.039 -5.635 231 HD3 ARG 26 HD2 ARG 26 22.261 9.180 -3.973 232 HE ARG 26 HE ARG 26 21.776 6.668 -5.408 233 HH11 ARG 26 HH11 ARG 26 23.659 8.423 -3.025 234 HH12 ARG 26 HH12 ARG 26 24.177 6.990 -2.198 235 HH21 ARG 26 HH22 ARG 26 22.447 4.795 -4.328 236 HH22 ARG 26 HH21 ARG 26 23.519 4.923 -2.956 237 H ILE 27 H ILE 27 16.962 7.888 -3.490 238 HA ILE 27 HA ILE 27 16.086 10.623 -3.443 239 HB ILE 27 HB ILE 27 14.543 8.021 -3.050 240 HG12 ILE 27 HG12 ILE 27 14.899 9.722 -5.535 241 HG13 ILE 27 HG13 ILE 27 15.750 8.193 -5.205 242 HG21 ILE 27 HG21 ILE 27 12.551 9.339 -3.660 243 HG22 ILE 27 HG22 ILE 27 13.545 10.814 -3.707 244 HG23 ILE 27 HG23 ILE 27 13.311 9.946 -2.171 245 HD11 ILE 27 HD11 ILE 27 13.608 7.002 -5.201 246 HD12 ILE 27 HD12 ILE 27 13.880 7.858 -6.738 247 HD13 ILE 27 HD13 ILE 27 12.757 8.530 -5.532 248 H SER 28 H SER 28 16.619 8.067 -1.141 249 HA SER 28 HA SER 28 15.124 9.167 1.020 250 HB2 SER 28 HB3 SER 28 17.500 7.293 1.192 251 HB3 SER 28 HB2 SER 28 16.221 7.537 2.406 252 HG SER 28 HG SER 28 15.635 6.678 -0.240 253 H GLN 29 H GLN 29 17.947 10.210 -0.462 254 HA GLN 29 HA GLN 29 19.183 11.362 1.910 255 HB2 GLN 29 HB3 GLN 29 19.759 11.657 -1.054 256 HB3 GLN 29 HB2 GLN 29 20.703 12.438 0.237 257 HG2 GLN 29 HG3 GLN 29 21.367 10.284 1.109 258 HG3 GLN 29 HG2 GLN 29 20.337 9.452 -0.081 259 HE21 GLN 29 HE22 GLN 29 21.001 11.225 -2.260 260 HE22 GLN 29 HE21 GLN 29 22.625 10.855 -2.730 261 H LEU 30 H LEU 30 16.859 12.184 -0.483 262 HA LEU 30 HA LEU 30 16.926 15.049 0.178 263 HB2 LEU 30 HB3 LEU 30 15.135 13.569 -1.771 264 HB3 LEU 30 HB2 LEU 30 15.382 15.328 -1.651 265 HG LEU 30 HG LEU 30 17.537 13.361 -2.448 266 HD11 LEU 30 HD11 LEU 30 17.160 14.134 -4.755 267 HD12 LEU 30 HD12 LEU 30 15.757 15.079 -4.203 268 HD13 LEU 30 HD13 LEU 30 15.733 13.303 -4.090 269 HD21 LEU 30 HD21 LEU 30 17.355 16.382 -2.660 270 HD22 LEU 30 HD22 LEU 30 18.684 15.374 -3.281 271 HD23 LEU 30 HD23 LEU 30 18.377 15.462 -1.530 272 H MET 31 H MET 31 15.086 12.123 0.534 273 HA MET 31 HA MET 31 13.259 13.472 2.434 274 HB2 MET 31 HB3 MET 31 12.546 11.166 0.589 275 HB3 MET 31 HB2 MET 31 11.458 12.030 1.701 276 HG2 MET 31 HG3 MET 31 11.528 14.002 0.359 277 HG3 MET 31 HG2 MET 31 12.829 13.335 -0.656 278 HE1 MET 31 HE1 MET 31 10.040 13.312 -3.314 279 HE2 MET 31 HE2 MET 31 11.753 13.637 -2.960 280 HE3 MET 31 HE3 MET 31 10.483 14.584 -2.150 281 H ILE 32 H ILE 32 14.062 12.770 4.334 282 HA ILE 32 HA ILE 32 14.931 9.951 4.541 283 HB ILE 32 HB ILE 32 16.632 11.741 5.043 284 HG12 ILE 32 HG12 ILE 32 17.381 10.699 7.219 285 HG13 ILE 32 HG13 ILE 32 15.872 9.754 7.188 286 HG21 ILE 32 HG21 ILE 32 16.508 12.889 7.218 287 HG22 ILE 32 HG22 ILE 32 14.871 12.235 7.461 288 HG23 ILE 32 HG23 ILE 32 15.187 13.371 6.127 289 HD11 ILE 32 HD11 ILE 32 16.542 8.756 5.051 290 HD12 ILE 32 HD12 ILE 32 17.753 8.457 6.321 291 HD13 ILE 32 HD13 ILE 32 18.050 9.700 5.082 292 H THR 33 H THR 33 12.501 12.103 5.444 293 HA THR 33 HA THR 33 11.810 10.889 7.972 294 HB THR 33 HB THR 33 9.601 12.335 7.185 295 HG1 THR 33 HG1 THR 33 10.613 14.217 6.135 296 HG21 THR 33 HG21 THR 33 10.890 12.607 9.283 297 HG22 THR 33 HG22 THR 33 10.573 14.177 8.507 298 HG23 THR 33 HG23 THR 33 12.183 13.429 8.376 299 H ARG 34 H ARG 34 11.758 9.413 5.202 300 HA ARG 34 HA ARG 34 9.229 8.037 5.785 301 HB2 ARG 34 HB3 ARG 34 8.635 9.566 4.026 302 HB3 ARG 34 HB2 ARG 34 10.054 9.084 3.066 303 HG2 ARG 34 HG3 ARG 34 8.959 6.707 3.166 304 HG3 ARG 34 HG2 ARG 34 7.477 7.621 3.540 305 HD2 ARG 34 HD3 ARG 34 9.262 8.064 1.126 306 HD3 ARG 34 HD2 ARG 34 7.717 7.180 1.123 307 HE ARG 34 HE ARG 34 6.621 9.256 1.687 308 HH11 ARG 34 HH11 ARG 34 9.889 9.496 0.500 309 HH12 ARG 34 HH12 ARG 34 9.770 11.186 0.125 310 HH21 ARG 34 HH22 ARG 34 6.438 11.445 1.224 311 HH22 ARG 34 HH21 ARG 34 7.788 12.313 0.561 312 H ASN 35 H ASN 35 9.154 5.915 5.244 313 HA ASN 35 HA ASN 35 11.516 4.367 5.223 314 HB2 ASN 35 HB3 ASN 35 8.777 3.980 5.564 315 HB3 ASN 35 HB2 ASN 35 9.095 3.170 4.011 316 HD21 ASN 35 HD22 ASN 35 8.354 2.210 6.747 317 HD22 ASN 35 HD21 ASN 35 9.510 0.983 7.122 318 HA PRO 36 HA PRO 36 12.750 5.137 0.959 319 HB2 PRO 36 HB3 PRO 36 13.941 2.389 1.416 320 HB3 PRO 36 HB2 PRO 36 14.687 3.830 0.683 321 HG2 PRO 36 HG3 PRO 36 15.246 3.163 3.190 322 HG3 PRO 36 HG2 PRO 36 15.009 4.870 2.744 323 HD2 PRO 36 HD3 PRO 36 13.189 3.022 4.246 324 HD3 PRO 36 HD2 PRO 36 13.423 4.778 4.426 325 H ARG 37 H ARG 37 11.485 1.969 1.964 326 HA ARG 37 HA ARG 37 10.813 1.046 -0.633 327 HB2 ARG 37 HB3 ARG 37 10.335 0.203 2.152 328 HB3 ARG 37 HB2 ARG 37 9.094 -0.306 0.981 329 HG2 ARG 37 HG3 ARG 37 10.456 -1.801 -0.002 330 HG3 ARG 37 HG2 ARG 37 11.877 -0.734 0.107 331 HD2 ARG 37 HD3 ARG 37 10.929 -1.680 2.715 332 HD3 ARG 37 HD2 ARG 37 11.426 -2.997 1.626 333 HE ARG 37 HE ARG 37 13.610 -2.030 1.526 334 HH11 ARG 37 HH11 ARG 37 11.477 -0.558 3.868 335 HH12 ARG 37 HH12 ARG 37 12.757 0.172 4.777 336 HH21 ARG 37 HH22 ARG 37 15.315 -1.086 2.715 337 HH22 ARG 37 HH21 ARG 37 14.945 -0.132 4.125 338 H GLN 38 H GLN 38 9.239 3.235 1.533 339 HA GLN 38 HA GLN 38 6.612 2.854 0.429 340 HB2 GLN 38 HB3 GLN 38 7.786 4.535 2.534 341 HB3 GLN 38 HB2 GLN 38 6.414 5.256 1.657 342 HG2 GLN 38 HG3 GLN 38 5.808 3.970 3.727 343 HG3 GLN 38 HG2 GLN 38 4.979 3.451 2.240 344 HE21 GLN 38 HE22 GLN 38 4.576 1.364 2.725 345 HE22 GLN 38 HE21 GLN 38 5.807 0.190 3.042 346 H CYS 39 H CYS 39 9.355 4.886 -0.294 347 HA CYS 39 HA CYS 39 8.038 6.743 -1.990 348 HB2 CYS 39 HB3 CYS 39 10.843 5.654 -2.378 349 HB3 CYS 39 HB2 CYS 39 10.209 7.248 -2.856 350 HG CYS 39 HG CYS 39 12.081 6.997 -0.485 351 H ARG 40 H ARG 40 9.296 3.506 -2.359 352 HA ARG 40 HA ARG 40 8.881 3.306 -5.202 353 HB2 ARG 40 HB3 ARG 40 10.449 1.765 -4.637 354 HB3 ARG 40 HB2 ARG 40 9.816 1.574 -2.984 355 HG2 ARG 40 HG3 ARG 40 8.282 -0.062 -3.630 356 HG3 ARG 40 HG2 ARG 40 8.379 0.388 -5.349 357 HD2 ARG 40 HD3 ARG 40 10.462 -0.633 -5.630 358 HD3 ARG 40 HD2 ARG 40 10.805 -0.631 -3.883 359 HE ARG 40 HE ARG 40 9.772 -2.654 -3.729 360 HH11 ARG 40 HH11 ARG 40 8.689 -1.142 -6.706 361 HH12 ARG 40 HH12 ARG 40 7.861 -2.560 -7.268 362 HH21 ARG 40 HH22 ARG 40 8.717 -4.522 -4.490 363 HH22 ARG 40 HH21 ARG 40 7.864 -4.467 -6.005 364 H GLU 41 H GLU 41 7.130 2.585 -2.270 365 HA GLU 41 HA GLU 41 5.041 0.999 -3.248 366 HB2 GLU 41 HB3 GLU 41 5.565 1.397 -0.859 367 HB3 GLU 41 HB2 GLU 41 4.972 3.067 -1.026 368 HG2 GLU 41 HG3 GLU 41 2.748 2.016 -1.731 369 HG3 GLU 41 HG2 GLU 41 3.412 0.492 -1.095 370 H ARG 42 H ARG 42 5.400 4.539 -3.122 371 HA ARG 42 HA ARG 42 2.758 5.052 -4.105 372 HB2 ARG 42 HB3 ARG 42 4.802 6.599 -3.000 373 HB3 ARG 42 HB2 ARG 42 4.637 7.189 -4.672 374 HG2 ARG 42 HG3 ARG 42 2.510 7.066 -2.522 375 HG3 ARG 42 HG2 ARG 42 3.200 8.510 -3.302 376 HD2 ARG 42 HD3 ARG 42 2.083 6.649 -5.246 377 HD3 ARG 42 HD2 ARG 42 0.875 7.152 -4.038 378 HE ARG 42 HE ARG 42 2.451 9.102 -5.623 379 HH11 ARG 42 HH11 ARG 42 -0.581 7.940 -4.288 380 HH12 ARG 42 HH12 ARG 42 -1.507 9.270 -4.904 381 HH21 ARG 42 HH22 ARG 42 1.243 10.829 -6.458 382 HH22 ARG 42 HH21 ARG 42 -0.463 10.929 -6.140 383 H TRP 43 H TRP 43 5.987 5.076 -5.626 384 HA TRP 43 HA TRP 43 5.194 5.790 -8.218 385 HB2 TRP 43 HB3 TRP 43 7.466 5.804 -8.086 386 HB3 TRP 43 HB2 TRP 43 7.521 4.402 -6.991 387 HD1 TRP 43 HD1 TRP 43 8.145 2.092 -8.038 388 HE1 TRP 43 HE1 TRP 43 8.669 1.271 -10.420 389 HE3 TRP 43 HE3 TRP 43 6.766 6.273 -10.668 390 HZ2 TRP 43 HZ2 TRP 43 8.536 2.241 -13.054 391 HZ3 TRP 43 HZ3 TRP 43 7.001 6.248 -13.130 392 HH2 TRP 43 HH2 TRP 43 7.871 4.260 -14.301 393 H ASN 44 H ASN 44 5.471 2.617 -6.707 394 HA ASN 44 HA ASN 44 4.665 1.120 -8.985 395 HB2 ASN 44 HB3 ASN 44 5.986 -0.018 -7.441 396 HB3 ASN 44 HB2 ASN 44 4.998 0.511 -6.058 397 HD21 ASN 44 HD22 ASN 44 3.765 -0.958 -5.219 398 HD22 ASN 44 HD21 ASN 44 3.133 -2.364 -6.001 399 H ASN 45 H ASN 45 2.817 2.736 -6.477 400 HA ASN 45 HA ASN 45 0.409 1.303 -7.405 401 HB2 ASN 45 HB3 ASN 45 1.074 2.701 -4.828 402 HB3 ASN 45 HB2 ASN 45 -0.620 2.462 -5.320 403 HD21 ASN 45 HD22 ASN 45 2.264 0.982 -4.166 404 HD22 ASN 45 HD21 ASN 45 1.601 -0.596 -3.853 405 H TYR 46 H TYR 46 1.845 4.031 -8.423 406 HA TYR 46 HA TYR 46 -0.784 5.241 -8.891 407 HB2 TYR 46 HB3 TYR 46 0.060 6.424 -6.974 408 HB3 TYR 46 HB2 TYR 46 1.589 6.769 -7.818 409 HD1 TYR 46 HD2 TYR 46 -2.067 7.500 -7.807 410 HD2 TYR 46 HD1 TYR 46 1.788 8.642 -9.272 411 HE1 TYR 46 HE2 TYR 46 -3.021 9.601 -8.681 412 HE2 TYR 46 HE1 TYR 46 0.837 10.742 -10.140 413 HH TYR 46 HH TYR 46 -2.070 11.963 -9.231 414 H ILE 47 H ILE 47 2.678 5.474 -9.774 415 HA ILE 47 HA ILE 47 1.795 6.590 -12.350 416 HB ILE 47 HB ILE 47 4.643 6.582 -12.227 417 HG12 ILE 47 HG12 ILE 47 3.307 7.794 -9.786 418 HG13 ILE 47 HG13 ILE 47 4.423 6.407 -9.795 419 HG21 ILE 47 HG21 ILE 47 4.311 9.019 -12.424 420 HG22 ILE 47 HG22 ILE 47 2.590 8.810 -12.021 421 HG23 ILE 47 HG23 ILE 47 3.243 8.114 -13.523 422 HD11 ILE 47 HD11 ILE 47 6.222 7.860 -10.605 423 HD12 ILE 47 HD12 ILE 47 5.547 8.449 -9.068 424 HD13 ILE 47 HD13 ILE 47 5.106 9.247 -10.597 425 H ASN 48 H ASN 48 2.937 3.732 -10.966 426 HA ASN 48 HA ASN 48 4.133 2.668 -13.362 427 HB2 ASN 48 HB3 ASN 48 4.937 1.954 -11.167 428 HB3 ASN 48 HB2 ASN 48 3.341 1.253 -10.804 429 HD21 ASN 48 HD22 ASN 48 3.936 -0.849 -10.628 430 HD22 ASN 48 HD21 ASN 48 4.587 -1.784 -11.929 431 HA PRO 49 HA PRO 49 0.102 0.367 -13.935 432 HB2 PRO 49 HB3 PRO 49 -1.678 -0.022 -11.950 433 HB3 PRO 49 HB2 PRO 49 -0.070 -0.780 -11.844 434 HG2 PRO 49 HG3 PRO 49 -1.149 1.622 -10.430 435 HG3 PRO 49 HG2 PRO 49 0.006 0.393 -9.861 436 HD2 PRO 49 HD3 PRO 49 0.610 2.967 -10.962 437 HD3 PRO 49 HD2 PRO 49 1.762 1.683 -10.524 438 H ALA 50 H ALA 50 -2.544 0.563 -13.602 439 HA ALA 50 HA ALA 50 -3.299 3.412 -13.737 440 HB1 ALA 50 HB1 ALA 50 -4.737 2.922 -15.679 441 HB2 ALA 50 HB2 ALA 50 -4.124 1.252 -15.706 442 HB3 ALA 50 HB3 ALA 50 -3.022 2.610 -16.035 443 H LEU 51 H LEU 51 -3.762 2.369 -11.442 444 HA LEU 51 HA LEU 51 -6.155 0.812 -11.251 445 HB2 LEU 51 HB3 LEU 51 -5.896 1.806 -8.773 446 HB3 LEU 51 HB2 LEU 51 -4.996 0.399 -9.390 447 HG LEU 51 HG LEU 51 -3.291 2.357 -10.072 448 HD11 LEU 51 HD11 LEU 51 -3.115 3.971 -8.222 449 HD12 LEU 51 HD12 LEU 51 -4.634 3.344 -7.538 450 HD13 LEU 51 HD13 LEU 51 -4.639 4.154 -9.123 451 HD21 LEU 51 HD21 LEU 51 -3.491 1.028 -7.356 452 HD22 LEU 51 HD22 LEU 51 -2.029 1.775 -8.041 453 HD23 LEU 51 HD23 LEU 51 -2.744 0.344 -8.819 454 H ARG 52 H ARG 52 -7.560 2.060 -12.538 455 HA ARG 52 HA ARG 52 -8.984 4.084 -10.984 456 HB2 ARG 52 HB3 ARG 52 -7.720 4.589 -13.667 457 HB3 ARG 52 HB2 ARG 52 -9.185 5.464 -13.162 458 HG2 ARG 52 HG3 ARG 52 -7.961 6.226 -11.131 459 HG3 ARG 52 HG2 ARG 52 -6.492 5.458 -11.779 460 HD2 ARG 52 HD3 ARG 52 -6.471 7.819 -12.298 461 HD3 ARG 52 HD2 ARG 52 -6.676 6.878 -13.796 462 HE ARG 52 HE ARG 52 -9.139 7.791 -12.576 463 HH11 ARG 52 HH11 ARG 52 -6.580 8.459 -14.851 464 HH12 ARG 52 HH12 ARG 52 -7.507 9.614 -15.758 465 HH21 ARG 52 HH22 ARG 52 -10.383 9.300 -13.781 466 HH22 ARG 52 HH21 ARG 52 -9.673 10.081 -15.158 467 H THR 53 H THR 53 -10.537 4.850 -13.313 468 HA THR 53 HA THR 53 -12.767 4.327 -13.818 469 HB THR 53 HB THR 53 -11.523 1.973 -15.248 470 HG1 THR 53 HG1 THR 53 -10.528 4.444 -15.220 471 HG21 THR 53 HG21 THR 53 -13.929 2.460 -15.571 472 HG22 THR 53 HG22 THR 53 -13.001 2.758 -17.061 473 HG23 THR 53 HG23 THR 53 -13.523 4.126 -16.049 474 H ASP 54 H ASP 54 -12.807 3.529 -11.356 475 HA ASP 54 HA ASP 54 -13.958 2.227 -9.886 476 HB2 ASP 54 HB3 ASP 54 -14.856 0.870 -12.428 477 HB3 ASP 54 HB2 ASP 54 -15.350 0.297 -10.816 478 HA PRO 55 HA PRO 55 -11.258 -1.057 -8.799 479 HB2 PRO 55 HB3 PRO 55 -13.461 -2.623 -7.566 480 HB3 PRO 55 HB2 PRO 55 -12.091 -1.802 -6.779 481 HG2 PRO 55 HG3 PRO 55 -14.615 -0.898 -6.555 482 HG3 PRO 55 HG2 PRO 55 -13.219 0.205 -6.610 483 HD2 PRO 55 HD3 PRO 55 -15.144 -0.539 -8.819 484 HD3 PRO 55 HD2 PRO 55 -14.507 1.063 -8.375 485 H TRP 56 H TRP 56 -12.201 -3.826 -8.331 486 HA TRP 56 HA TRP 56 -11.985 -4.756 -11.079 487 HB2 TRP 56 HB3 TRP 56 -12.404 -6.870 -9.144 488 HB3 TRP 56 HB2 TRP 56 -11.014 -6.560 -10.212 489 HD1 TRP 56 HD1 TRP 56 -9.114 -4.772 -9.170 490 HE1 TRP 56 HE1 TRP 56 -8.350 -4.503 -6.732 491 HE3 TRP 56 HE3 TRP 56 -13.053 -7.050 -6.812 492 HZ2 TRP 56 HZ2 TRP 56 -9.248 -5.161 -4.156 493 HZ3 TRP 56 HZ3 TRP 56 -13.025 -7.195 -4.343 494 HH2 TRP 56 HH2 TRP 56 -11.148 -6.263 -3.039 495 H SER 57 H SER 57 -13.399 -6.546 -11.814 496 HA SER 57 HA SER 57 -16.188 -5.784 -11.377 497 HB2 SER 57 HB3 SER 57 -15.548 -8.044 -13.185 498 HB3 SER 57 HB2 SER 57 -16.539 -6.594 -13.473 499 HG SER 57 HG SER 57 -13.697 -6.835 -13.577 500 HA PRO 58 HA PRO 58 -17.517 -9.087 -8.773 501 HB2 PRO 58 HB3 PRO 58 -19.388 -9.968 -10.972 502 HB3 PRO 58 HB2 PRO 58 -19.741 -9.620 -9.262 503 HG2 PRO 58 HG3 PRO 58 -20.386 -7.860 -11.135 504 HG3 PRO 58 HG2 PRO 58 -19.691 -7.308 -9.591 505 HD2 PRO 58 HD3 PRO 58 -18.378 -7.557 -12.292 506 HD3 PRO 58 HD2 PRO 58 -18.186 -6.291 -11.055 507 H GLU 59 H GLU 59 -16.596 -9.840 -12.076 508 HA GLU 59 HA GLU 59 -16.502 -12.683 -11.834 509 HB2 GLU 59 HB3 GLU 59 -14.855 -10.866 -13.626 510 HB3 GLU 59 HB2 GLU 59 -15.088 -12.620 -13.822 511 HG2 GLU 59 HG3 GLU 59 -16.626 -11.931 -15.317 512 HG3 GLU 59 HG2 GLU 59 -17.648 -11.848 -13.861 513 H GLU 60 H GLU 60 -14.246 -10.049 -11.232 514 HA GLU 60 HA GLU 60 -12.039 -11.774 -10.544 515 HB2 GLU 60 HB3 GLU 60 -12.516 -8.800 -10.201 516 HB3 GLU 60 HB2 GLU 60 -11.026 -9.627 -9.688 517 HG2 GLU 60 HG3 GLU 60 -10.408 -8.802 -11.733 518 HG3 GLU 60 HG2 GLU 60 -10.958 -10.438 -12.168 519 H ASP 61 H ASP 61 -14.566 -9.988 -8.863 520 HA ASP 61 HA ASP 61 -13.654 -10.201 -6.226 521 HB2 ASP 61 HB3 ASP 61 -15.476 -8.795 -6.468 522 HB3 ASP 61 HB2 ASP 61 -16.370 -9.951 -7.485 523 H MET 62 H MET 62 -15.642 -12.476 -8.110 524 HA MET 62 HA MET 62 -15.706 -14.362 -5.919 525 HB2 MET 62 HB3 MET 62 -16.713 -14.515 -8.758 526 HB3 MET 62 HB2 MET 62 -16.835 -15.857 -7.595 527 HG2 MET 62 HG3 MET 62 -18.087 -14.314 -6.072 528 HG3 MET 62 HG2 MET 62 -18.098 -13.117 -7.390 529 HE1 MET 62 HE1 MET 62 -21.807 -14.340 -7.360 530 HE2 MET 62 HE2 MET 62 -20.713 -12.937 -7.311 531 HE3 MET 62 HE3 MET 62 -20.738 -14.094 -5.959 532 H LEU 63 H LEU 63 -13.518 -13.668 -8.435 533 HA LEU 63 HA LEU 63 -12.439 -16.371 -8.611 534 HB2 LEU 63 HB3 LEU 63 -12.423 -14.908 -10.573 535 HB3 LEU 63 HB2 LEU 63 -11.479 -13.694 -9.676 536 HG LEU 63 HG LEU 63 -9.694 -15.537 -9.483 537 HD11 LEU 63 HD11 LEU 63 -9.699 -17.164 -11.331 538 HD12 LEU 63 HD12 LEU 63 -11.324 -16.615 -11.803 539 HD13 LEU 63 HD13 LEU 63 -11.075 -17.406 -10.228 540 HD21 LEU 63 HD21 LEU 63 -10.336 -14.261 -12.159 541 HD22 LEU 63 HD22 LEU 63 -8.754 -14.915 -11.673 542 HD23 LEU 63 HD23 LEU 63 -9.438 -13.510 -10.819 543 H LEU 64 H LEU 64 -11.628 -13.217 -7.263 544 HA LEU 64 HA LEU 64 -9.112 -13.854 -6.166 545 HB2 LEU 64 HB3 LEU 64 -11.102 -11.693 -5.871 546 HB3 LEU 64 HB2 LEU 64 -10.008 -11.930 -4.486 547 HG LEU 64 HG LEU 64 -8.086 -11.482 -5.828 548 HD11 LEU 64 HD11 LEU 64 -8.228 -10.953 -8.228 549 HD12 LEU 64 HD12 LEU 64 -9.964 -11.343 -8.208 550 HD13 LEU 64 HD13 LEU 64 -8.763 -12.616 -7.886 551 HD21 LEU 64 HD21 LEU 64 -10.287 -9.491 -6.463 552 HD22 LEU 64 HD22 LEU 64 -8.538 -9.174 -6.564 553 HD23 LEU 64 HD23 LEU 64 -9.290 -9.528 -4.990 554 H ASP 65 H ASP 65 -12.299 -14.674 -5.135 555 HA ASP 65 HA ASP 65 -11.885 -15.048 -2.370 556 HB2 ASP 65 HB3 ASP 65 -14.116 -15.165 -3.375 557 HB3 ASP 65 HB2 ASP 65 -13.644 -16.614 -4.296 558 H GLN 66 H GLN 66 -11.371 -17.164 -5.155 559 HA GLN 66 HA GLN 66 -10.217 -19.279 -3.521 560 HB2 GLN 66 HB3 GLN 66 -11.642 -19.548 -5.664 561 HB3 GLN 66 HB2 GLN 66 -10.148 -19.118 -6.533 562 HG2 GLN 66 HG3 GLN 66 -9.004 -21.023 -5.515 563 HG3 GLN 66 HG2 GLN 66 -10.490 -21.449 -4.632 564 HE21 GLN 66 HE22 GLN 66 -12.269 -22.230 -5.802 565 HE22 GLN 66 HE21 GLN 66 -12.089 -22.906 -7.383 566 H LYS 67 H LYS 67 -9.190 -16.762 -5.782 567 HA LYS 67 HA LYS 67 -6.391 -17.545 -5.696 568 HB2 LYS 67 HB3 LYS 67 -7.676 -15.009 -6.762 569 HB3 LYS 67 HB2 LYS 67 -6.008 -15.559 -7.055 570 HG2 LYS 67 HG3 LYS 67 -8.359 -17.242 -7.883 571 HG3 LYS 67 HG2 LYS 67 -7.791 -15.893 -8.897 572 HD2 LYS 67 HD3 LYS 67 -5.550 -16.897 -8.984 573 HD3 LYS 67 HD2 LYS 67 -6.109 -18.241 -7.959 574 HE2 LYS 67 HE3 LYS 67 -7.634 -18.997 -9.642 575 HE3 LYS 67 HE2 LYS 67 -7.376 -17.531 -10.619 576 HZ1 LYS 67 HZ1 LYS 67 -6.187 -19.535 -11.429 577 HZ2 LYS 67 HZ2 LYS 67 -5.249 -19.517 -10.024 578 HZ3 LYS 67 HZ3 LYS 67 -5.169 -18.225 -11.113 579 H TYR 68 H TYR 68 -6.904 -17.429 -3.244 580 HA TYR 68 HA TYR 68 -5.364 -15.345 -2.080 581 HB2 TYR 68 HB3 TYR 68 -7.438 -14.041 -2.405 582 HB3 TYR 68 HB2 TYR 68 -8.359 -15.290 -1.534 583 HD1 TYR 68 HD1 TYR 68 -5.674 -12.732 -1.129 584 HD2 TYR 68 HD2 TYR 68 -8.541 -15.234 0.827 585 HE1 TYR 68 HE1 TYR 68 -5.257 -11.552 0.993 586 HE2 TYR 68 HE2 TYR 68 -8.120 -14.056 2.951 587 HH TYR 68 HH TYR 68 -6.113 -12.702 3.942 588 H ALA 69 H ALA 69 -8.013 -17.646 -1.530 589 HA ALA 69 HA ALA 69 -7.080 -18.449 1.059 590 HB1 ALA 69 HB1 ALA 69 -8.779 -20.225 0.872 591 HB2 ALA 69 HB2 ALA 69 -9.036 -19.790 -0.835 592 HB3 ALA 69 HB3 ALA 69 -9.440 -18.627 0.450 593 H GLU 70 H GLU 70 -5.782 -18.947 -1.912 594 HA GLU 70 HA GLU 70 -4.752 -21.635 -1.267 595 HB2 GLU 70 HB3 GLU 70 -4.930 -20.107 -3.879 596 HB3 GLU 70 HB2 GLU 70 -4.019 -21.624 -3.682 597 HG2 GLU 70 HG3 GLU 70 -6.989 -21.299 -3.192 598 HG3 GLU 70 HG2 GLU 70 -6.258 -21.940 -4.684 599 H TYR 71 H TYR 71 -3.876 -18.292 -1.944 600 HA TYR 71 HA TYR 71 -1.065 -18.934 -1.285 601 HB2 TYR 71 HB3 TYR 71 -1.964 -16.724 -3.157 602 HB3 TYR 71 HB2 TYR 71 -0.302 -17.274 -2.836 603 HD1 TYR 71 HD1 TYR 71 0.205 -19.774 -3.479 604 HD2 TYR 71 HD2 TYR 71 -3.072 -17.513 -5.045 605 HE1 TYR 71 HE1 TYR 71 0.068 -21.307 -5.406 606 HE2 TYR 71 HE2 TYR 71 -3.212 -19.046 -6.971 607 HH TYR 71 HH TYR 71 -1.694 -22.031 -7.052 608 H GLY 72 H GLY 72 -2.701 -18.393 0.715 609 HA2 GLY 72 HA3 GLY 72 -3.508 -16.859 2.299 610 HA3 GLY 72 HA2 GLY 72 -1.762 -16.511 2.308 611 HA PRO 73 HA PRO 73 -3.518 -12.494 1.203 612 HB2 PRO 73 HB3 PRO 73 -1.972 -11.004 2.867 613 HB3 PRO 73 HB2 PRO 73 -3.311 -11.984 3.510 614 HG2 PRO 73 HG3 PRO 73 -0.370 -12.486 3.580 615 HG3 PRO 73 HG2 PRO 73 -1.626 -12.910 4.768 616 HD2 PRO 73 HD3 PRO 73 -0.488 -14.623 2.808 617 HD3 PRO 73 HD2 PRO 73 -1.907 -14.965 3.828 618 H LYS 74 H LYS 74 -1.455 -13.962 -0.279 619 HA LYS 74 HA LYS 74 0.790 -12.189 -0.669 620 HB2 LYS 74 HB3 LYS 74 0.073 -14.876 -1.423 621 HB3 LYS 74 HB2 LYS 74 0.655 -13.966 -2.837 622 HG2 LYS 74 HG3 LYS 74 2.516 -15.084 -1.844 623 HG3 LYS 74 HG2 LYS 74 2.676 -13.341 -1.519 624 HD2 LYS 74 HD3 LYS 74 1.792 -13.663 0.739 625 HD3 LYS 74 HD2 LYS 74 1.569 -15.400 0.418 626 HE2 LYS 74 HE3 LYS 74 4.027 -15.561 -0.032 627 HE3 LYS 74 HE2 LYS 74 4.183 -13.866 0.490 628 HZ1 LYS 74 HZ1 LYS 74 3.474 -14.445 2.663 629 HZ2 LYS 74 HZ2 LYS 74 4.671 -15.553 2.226 630 HZ3 LYS 74 HZ3 LYS 74 3.044 -16.014 2.200 631 H TRP 75 H TRP 75 -1.238 -10.554 -1.055 632 HA TRP 75 HA TRP 75 -2.424 -10.313 -3.523 633 HB2 TRP 75 HB3 TRP 75 -1.426 -8.168 -1.660 634 HB3 TRP 75 HB2 TRP 75 -2.312 -7.804 -3.160 635 HD1 TRP 75 HD1 TRP 75 -3.029 -8.019 0.344 636 HE1 TRP 75 HE1 TRP 75 -5.464 -8.687 0.808 637 HE3 TRP 75 HE3 TRP 75 -4.289 -9.831 -4.282 638 HZ2 TRP 75 HZ2 TRP 75 -7.637 -9.821 -0.562 639 HZ3 TRP 75 HZ3 TRP 75 -6.578 -10.698 -4.627 640 HH2 TRP 75 HH2 TRP 75 -8.229 -10.686 -2.794 641 H ASN 76 H ASN 76 0.911 -9.668 -2.721 642 HA ASN 76 HA ASN 76 1.774 -8.208 -4.946 643 HB2 ASN 76 HB3 ASN 76 3.184 -8.663 -2.991 644 HB3 ASN 76 HB2 ASN 76 3.193 -10.401 -3.380 645 HD21 ASN 76 HD22 ASN 76 5.040 -7.735 -3.448 646 HD22 ASN 76 HD21 ASN 76 6.069 -8.111 -4.786 647 H LYS 77 H LYS 77 1.246 -11.672 -4.533 648 HA LYS 77 HA LYS 77 2.164 -12.324 -7.208 649 HB2 LYS 77 HB3 LYS 77 0.680 -14.053 -5.204 650 HB3 LYS 77 HB2 LYS 77 1.589 -14.602 -6.633 651 HG2 LYS 77 HG3 LYS 77 2.990 -13.057 -4.478 652 HG3 LYS 77 HG2 LYS 77 2.635 -14.786 -4.247 653 HD2 LYS 77 HD3 LYS 77 3.759 -15.211 -6.466 654 HD3 LYS 77 HD2 LYS 77 4.278 -13.508 -6.450 655 HE2 LYS 77 HE3 LYS 77 5.577 -13.832 -4.475 656 HE3 LYS 77 HE2 LYS 77 4.870 -15.442 -4.197 657 HZ1 LYS 77 HZ1 LYS 77 7.087 -15.604 -5.123 658 HZ2 LYS 77 HZ2 LYS 77 6.637 -14.688 -6.468 659 HZ3 LYS 77 HZ3 LYS 77 5.952 -16.212 -6.219 660 H ILE 78 H ILE 78 -0.864 -11.750 -5.544 661 HA ILE 78 HA ILE 78 -2.558 -12.876 -7.542 662 HB ILE 78 HB ILE 78 -3.334 -10.740 -5.538 663 HG12 ILE 78 HG12 ILE 78 -2.286 -12.533 -4.323 664 HG13 ILE 78 HG13 ILE 78 -4.050 -12.636 -4.102 665 HG21 ILE 78 HG21 ILE 78 -5.575 -11.745 -5.761 666 HG22 ILE 78 HG22 ILE 78 -4.944 -12.870 -6.987 667 HG23 ILE 78 HG23 ILE 78 -4.974 -11.122 -7.316 668 HD11 ILE 78 HD11 ILE 78 -4.149 -14.453 -5.747 669 HD12 ILE 78 HD12 ILE 78 -3.059 -14.851 -4.398 670 HD13 ILE 78 HD13 ILE 78 -2.386 -14.351 -5.968 671 H SER 79 H SER 79 -1.240 -9.621 -7.035 672 HA SER 79 HA SER 79 -2.825 -8.295 -8.969 673 HB2 SER 79 HB3 SER 79 -0.686 -6.755 -8.999 674 HB3 SER 79 HB2 SER 79 -1.709 -6.842 -7.544 675 HG SER 79 HG SER 79 0.825 -7.267 -7.592 676 H LYS 80 H LYS 80 -0.361 -10.600 -9.267 677 HA LYS 80 HA LYS 80 0.565 -9.766 -11.884 678 HB2 LYS 80 HB3 LYS 80 1.103 -12.187 -10.162 679 HB3 LYS 80 HB2 LYS 80 1.732 -12.022 -11.819 680 HG2 LYS 80 HG3 LYS 80 3.108 -10.216 -11.245 681 HG3 LYS 80 HG2 LYS 80 2.216 -9.898 -9.737 682 HD2 LYS 80 HD3 LYS 80 3.081 -11.916 -8.735 683 HD3 LYS 80 HD2 LYS 80 3.843 -12.401 -10.269 684 HE2 LYS 80 HE3 LYS 80 5.459 -11.433 -8.661 685 HE3 LYS 80 HE2 LYS 80 5.345 -10.498 -10.172 686 HZ1 LYS 80 HZ1 LYS 80 3.775 -9.749 -7.770 687 HZ2 LYS 80 HZ2 LYS 80 4.185 -8.797 -9.108 688 HZ3 LYS 80 HZ3 LYS 80 5.371 -9.229 -7.982 689 H PHE 81 H PHE 81 -1.923 -11.797 -10.553 690 HA PHE 81 HA PHE 81 -2.413 -13.170 -13.080 691 HB2 PHE 81 HB3 PHE 81 -4.084 -13.126 -10.545 692 HB3 PHE 81 HB2 PHE 81 -4.227 -14.265 -11.905 693 HD1 PHE 81 HD2 PHE 81 -1.477 -15.069 -12.406 694 HD2 PHE 81 HD1 PHE 81 -3.476 -14.361 -8.691 695 HE1 PHE 81 HE2 PHE 81 0.083 -16.607 -11.274 696 HE2 PHE 81 HE1 PHE 81 -1.918 -15.900 -7.556 697 HZ PHE 81 HZ PHE 81 -0.132 -17.027 -8.846 698 H LEU 82 H LEU 82 -3.318 -10.322 -11.412 699 HA LEU 82 HA LEU 82 -5.484 -9.789 -13.357 700 HB2 LEU 82 HB3 LEU 82 -5.229 -8.964 -10.456 701 HB3 LEU 82 HB2 LEU 82 -6.353 -8.186 -11.596 702 HG LEU 82 HG LEU 82 -7.666 -9.655 -10.378 703 HD11 LEU 82 HD11 LEU 82 -8.376 -11.402 -11.959 704 HD12 LEU 82 HD12 LEU 82 -6.892 -11.135 -12.905 705 HD13 LEU 82 HD13 LEU 82 -8.100 -9.835 -12.758 706 HD21 LEU 82 HD21 LEU 82 -5.556 -11.796 -10.739 707 HD22 LEU 82 HD22 LEU 82 -7.131 -12.014 -9.941 708 HD23 LEU 82 HD23 LEU 82 -5.926 -10.907 -9.243 709 H LYS 83 H LYS 83 -3.722 -9.046 -14.684 710 HA LYS 83 HA LYS 83 -1.916 -6.993 -14.038 711 HB2 LYS 83 HB3 LYS 83 -1.693 -8.514 -15.951 712 HB3 LYS 83 HB2 LYS 83 -3.107 -7.754 -16.720 713 HG2 LYS 83 HG3 LYS 83 -1.882 -5.655 -16.936 714 HG3 LYS 83 HG2 LYS 83 -0.473 -6.381 -16.123 715 HD2 LYS 83 HD3 LYS 83 -0.104 -7.906 -17.909 716 HD3 LYS 83 HD2 LYS 83 -1.695 -7.561 -18.631 717 HE2 LYS 83 HE3 LYS 83 -0.959 -5.267 -19.136 718 HE3 LYS 83 HE2 LYS 83 0.635 -5.629 -18.431 719 HZ1 LYS 83 HZ1 LYS 83 1.059 -7.206 -20.140 720 HZ2 LYS 83 HZ2 LYS 83 0.518 -5.795 -20.900 721 HZ3 LYS 83 HZ3 LYS 83 -0.522 -7.118 -20.732 722 H ASN 84 H ASN 84 -3.037 -5.393 -12.927 723 HA ASN 84 HA ASN 84 -3.811 -3.141 -14.398 724 HB2 ASN 84 HB3 ASN 84 -5.840 -4.846 -14.674 725 HB3 ASN 84 HB2 ASN 84 -6.314 -4.132 -13.114 726 HD21 ASN 84 HD22 ASN 84 -5.774 -3.542 -16.500 727 HD22 ASN 84 HD21 ASN 84 -6.553 -2.000 -16.566 728 H ARG 85 H ARG 85 -4.236 -4.853 -11.319 729 HA ARG 85 HA ARG 85 -4.134 -2.207 -9.989 730 HB2 ARG 85 HB3 ARG 85 -5.431 -4.727 -8.932 731 HB3 ARG 85 HB2 ARG 85 -5.379 -3.140 -8.127 732 HG2 ARG 85 HG3 ARG 85 -6.758 -3.735 -10.759 733 HG3 ARG 85 HG2 ARG 85 -7.559 -3.599 -9.175 734 HD2 ARG 85 HD3 ARG 85 -7.526 -1.355 -9.229 735 HD3 ARG 85 HD2 ARG 85 -5.840 -1.308 -9.800 736 HE ARG 85 HE ARG 85 -6.729 -1.681 -12.063 737 HH11 ARG 85 HH11 ARG 85 -8.913 -0.476 -9.605 738 HH12 ARG 85 HH12 ARG 85 -10.033 0.198 -10.752 739 HH21 ARG 85 HH22 ARG 85 -8.167 -0.773 -13.564 740 HH22 ARG 85 HH21 ARG 85 -9.588 0.067 -12.998 741 H SER 86 H SER 86 -3.042 -2.073 -7.951 742 HA SER 86 HA SER 86 -0.837 -4.018 -7.735 743 HB2 SER 86 HB3 SER 86 -0.717 -1.189 -6.701 744 HB3 SER 86 HB2 SER 86 0.617 -2.298 -7.099 745 HG SER 86 HG SER 86 0.501 -0.949 -8.812 746 H ASP 87 H ASP 87 0.265 -3.725 -5.498 747 HA ASP 87 HA ASP 87 -1.108 -5.124 -3.601 748 HB2 ASP 87 HB3 ASP 87 0.669 -4.045 -2.000 749 HB3 ASP 87 HB2 ASP 87 1.152 -5.157 -3.303 750 H ASN 88 H ASN 88 -0.151 -1.783 -2.703 751 HA ASN 88 HA ASN 88 -2.040 -1.668 -0.631 752 HB2 ASN 88 HB3 ASN 88 -0.059 0.149 -1.633 753 HB3 ASN 88 HB2 ASN 88 -1.570 1.023 -1.281 754 HD21 ASN 88 HD22 ASN 88 -1.040 2.049 0.657 755 HD22 ASN 88 HD21 ASN 88 -0.560 1.189 2.088 756 H ASN 89 H ASN 89 -2.699 -1.466 -3.905 757 HA ASN 89 HA ASN 89 -5.069 0.202 -3.514 758 HB2 ASN 89 HB3 ASN 89 -3.666 0.364 -5.599 759 HB3 ASN 89 HB2 ASN 89 -4.266 -1.253 -6.040 760 HD21 ASN 89 HD22 ASN 89 -5.071 2.110 -5.652 761 HD22 ASN 89 HD21 ASN 89 -6.609 2.044 -6.440 762 H ILE 90 H ILE 90 -4.282 -3.165 -4.373 763 HA ILE 90 HA ILE 90 -7.014 -4.016 -4.475 764 HB ILE 90 HB ILE 90 -4.497 -5.685 -4.096 765 HG12 ILE 90 HG12 ILE 90 -6.157 -5.139 -6.576 766 HG13 ILE 90 HG13 ILE 90 -4.580 -4.399 -6.208 767 HG21 ILE 90 HG21 ILE 90 -5.910 -7.579 -4.812 768 HG22 ILE 90 HG22 ILE 90 -7.330 -6.506 -4.832 769 HG23 ILE 90 HG23 ILE 90 -6.499 -6.855 -3.297 770 HD11 ILE 90 HD11 ILE 90 -3.526 -6.612 -6.277 771 HD12 ILE 90 HD12 ILE 90 -4.351 -6.233 -7.807 772 HD13 ILE 90 HD13 ILE 90 -5.102 -7.352 -6.644 773 H ARG 91 H ARG 91 -4.463 -4.236 -2.000 774 HA ARG 91 HA ARG 91 -5.911 -5.668 -0.072 775 HB2 ARG 91 HB3 ARG 91 -3.669 -5.482 0.430 776 HB3 ARG 91 HB2 ARG 91 -3.610 -3.749 0.025 777 HG2 ARG 91 HG3 ARG 91 -3.269 -4.108 2.408 778 HG3 ARG 91 HG2 ARG 91 -4.781 -3.217 2.108 779 HD2 ARG 91 HD3 ARG 91 -5.311 -4.795 3.773 780 HD3 ARG 91 HD2 ARG 91 -5.963 -5.471 2.261 781 HE ARG 91 HE ARG 91 -3.450 -6.556 2.514 782 HH11 ARG 91 HH11 ARG 91 -6.347 -6.471 4.468 783 HH12 ARG 91 HH12 ARG 91 -6.057 -8.014 5.204 784 HH21 ARG 91 HH22 ARG 91 -3.057 -8.598 3.490 785 HH22 ARG 91 HH21 ARG 91 -4.186 -9.210 4.668 786 H ASN 92 H ASN 92 -5.664 -2.165 -0.589 787 HA ASN 92 HA ASN 92 -7.316 -1.334 1.538 788 HB2 ASN 92 HB3 ASN 92 -6.312 -0.173 -1.006 789 HB3 ASN 92 HB2 ASN 92 -7.792 0.563 -0.346 790 HD21 ASN 92 HD22 ASN 92 -6.944 2.475 0.238 791 HD22 ASN 92 HD21 ASN 92 -5.742 2.680 1.459 792 H ARG 93 H ARG 93 -8.058 -2.002 -1.875 793 HA ARG 93 HA ARG 93 -10.827 -1.452 -1.636 794 HB2 ARG 93 HB3 ARG 93 -9.005 -2.162 -3.722 795 HB3 ARG 93 HB2 ARG 93 -10.459 -3.184 -3.828 796 HG2 ARG 93 HG3 ARG 93 -10.504 -1.026 -5.149 797 HG3 ARG 93 HG2 ARG 93 -11.882 -1.310 -4.059 798 HD2 ARG 93 HD3 ARG 93 -11.195 0.989 -3.851 799 HD3 ARG 93 HD2 ARG 93 -10.763 0.125 -2.355 800 HE ARG 93 HE ARG 93 -8.516 0.028 -3.962 801 HH11 ARG 93 HH11 ARG 93 -10.502 2.495 -2.472 802 HH12 ARG 93 HH12 ARG 93 -9.217 3.652 -2.368 803 HH21 ARG 93 HH22 ARG 93 -6.810 1.563 -3.823 804 HH22 ARG 93 HH21 ARG 93 -7.119 3.141 -3.155 805 H TRP 94 H TRP 94 -8.989 -4.422 -1.193 806 HA TRP 94 HA TRP 94 -11.187 -6.207 -1.321 807 HB2 TRP 94 HB3 TRP 94 -8.798 -6.907 -1.400 808 HB3 TRP 94 HB2 TRP 94 -8.664 -6.517 0.332 809 HD1 TRP 94 HD1 TRP 94 -9.297 -8.409 1.997 810 HE1 TRP 94 HE1 TRP 94 -10.377 -10.732 1.785 811 HE3 TRP 94 HE3 TRP 94 -10.662 -8.231 -2.939 812 HZ2 TRP 94 HZ2 TRP 94 -11.629 -12.298 -0.184 813 HZ3 TRP 94 HZ3 TRP 94 -11.804 -10.191 -3.919 814 HH2 TRP 94 HH2 TRP 94 -12.282 -12.192 -2.560 815 H MET 95 H MET 95 -9.660 -4.522 1.411 816 HA MET 95 HA MET 95 -11.436 -5.561 3.387 817 HB2 MET 95 HB3 MET 95 -9.176 -4.531 3.815 818 HB3 MET 95 HB2 MET 95 -9.905 -2.944 3.470 819 HG2 MET 95 HG3 MET 95 -11.380 -3.152 5.364 820 HG3 MET 95 HG2 MET 95 -10.822 -4.816 5.665 821 HE1 MET 95 HE1 MET 95 -9.366 -2.805 8.721 822 HE2 MET 95 HE2 MET 95 -10.370 -4.184 8.212 823 HE3 MET 95 HE3 MET 95 -10.919 -2.520 7.900 824 H MET 96 H MET 96 -11.460 -2.808 1.235 825 HA MET 96 HA MET 96 -13.647 -1.400 2.383 826 HB2 MET 96 HB3 MET 96 -12.173 -0.241 0.919 827 HB3 MET 96 HB2 MET 96 -12.401 -1.442 -0.374 828 HG2 MET 96 HG3 MET 96 -14.936 -0.589 -0.095 829 HG3 MET 96 HG2 MET 96 -14.064 0.882 0.401 830 HE1 MET 96 HE1 MET 96 -15.083 1.664 -3.309 831 HE2 MET 96 HE2 MET 96 -15.147 2.210 -1.617 832 HE3 MET 96 HE3 MET 96 -16.023 0.742 -2.112 833 H ILE 97 H ILE 97 -13.452 -3.634 -0.409 834 HA ILE 97 HA ILE 97 -16.252 -3.590 -0.900 835 HB ILE 97 HB ILE 97 -14.429 -4.258 -2.559 836 HG12 ILE 97 HG12 ILE 97 -15.940 -5.891 -3.707 837 HG13 ILE 97 HG13 ILE 97 -16.946 -5.907 -2.238 838 HG21 ILE 97 HG21 ILE 97 -13.919 -6.657 -2.720 839 HG22 ILE 97 HG22 ILE 97 -14.761 -6.935 -1.177 840 HG23 ILE 97 HG23 ILE 97 -13.285 -5.942 -1.219 841 HD11 ILE 97 HD11 ILE 97 -17.363 -3.504 -2.498 842 HD12 ILE 97 HD12 ILE 97 -17.876 -4.417 -3.938 843 HD13 ILE 97 HD13 ILE 97 -16.358 -3.489 -3.967 844 H ALA 98 H ALA 98 -14.235 -5.538 1.186 845 HA ALA 98 HA ALA 98 -16.062 -7.642 1.672 846 HB1 ALA 98 HB1 ALA 98 -14.730 -8.068 3.703 847 HB2 ALA 98 HB2 ALA 98 -13.900 -6.509 3.479 848 HB3 ALA 98 HB3 ALA 98 -13.697 -7.807 2.277 849 H ARG 99 H ARG 99 -15.799 -4.394 2.940 850 HA ARG 99 HA ARG 99 -17.444 -4.718 5.232 851 HB2 ARG 99 HB3 ARG 99 -15.904 -2.784 4.732 852 HB3 ARG 99 HB2 ARG 99 -17.124 -2.206 3.572 853 HG2 ARG 99 HG3 ARG 99 -18.752 -1.967 5.369 854 HG3 ARG 99 HG2 ARG 99 -17.574 -2.606 6.541 855 HD2 ARG 99 HD3 ARG 99 -16.062 -0.707 5.988 856 HD3 ARG 99 HD2 ARG 99 -17.331 -0.048 4.927 857 HE ARG 99 HE ARG 99 -17.998 -0.532 7.738 858 HH11 ARG 99 HH11 ARG 99 -17.213 1.741 5.197 859 HH12 ARG 99 HH12 ARG 99 -17.826 3.111 6.054 860 HH21 ARG 99 HH22 ARG 99 -18.797 1.287 8.891 861 HH22 ARG 99 HH21 ARG 99 -18.723 2.857 8.158 862 H HIS 100 H HIS 100 -18.129 -4.340 1.847 863 HA HIS 100 HA HIS 100 -20.982 -3.852 2.352 864 HB2 HIS 100 HB3 HIS 100 -19.709 -2.579 0.590 865 HB3 HIS 100 HB2 HIS 100 -19.545 -4.109 -0.306 866 HD1 HIS 100 HD1 HIS 100 -21.531 -4.857 -1.697 867 HD2 HIS 100 HD2 HIS 100 -22.399 -1.588 0.741 868 HE1 HIS 100 HE1 HIS 100 -23.815 -4.072 -2.419 869 HE2 HIS 100 HE2 HIS 100 -24.241 -1.999 -1.031 870 H ARG 101 H ARG 101 -18.776 -6.283 1.090 871 HA ARG 101 HA ARG 101 -20.719 -8.093 0.078 872 HB2 ARG 101 HB3 ARG 101 -18.368 -8.170 -0.573 873 HB3 ARG 101 HB2 ARG 101 -17.904 -8.580 1.096 874 HG2 ARG 101 HG3 ARG 101 -17.829 -10.644 0.112 875 HG3 ARG 101 HG2 ARG 101 -19.507 -10.627 0.705 876 HD2 ARG 101 HD3 ARG 101 -18.758 -9.743 -2.087 877 HD3 ARG 101 HD2 ARG 101 -19.131 -11.437 -1.686 878 HE ARG 101 HE ARG 101 -20.997 -9.184 -1.743 879 HH11 ARG 101 HH11 ARG 101 -20.426 -12.564 -1.032 880 HH12 ARG 101 HH12 ARG 101 -22.104 -12.995 -1.085 881 HH21 ARG 101 HH22 ARG 101 -23.211 -9.745 -1.825 882 HH22 ARG 101 HH21 ARG 101 -23.694 -11.388 -1.537 883 H ALA 102 H ALA 102 -19.178 -7.745 3.239 884 HA ALA 102 HA ALA 102 -20.289 -10.116 4.357 885 HB1 ALA 102 HB1 ALA 102 -19.550 -9.216 6.524 886 HB2 ALA 102 HB2 ALA 102 -19.167 -7.667 5.736 887 HB3 ALA 102 HB3 ALA 102 -18.277 -9.139 5.283 888 H LYS 103 H LYS 103 -21.955 -7.500 3.352 889 HA LYS 103 HA LYS 103 -24.040 -6.695 3.708 890 HB2 LYS 103 HB3 LYS 103 -24.229 -9.297 5.211 891 HB3 LYS 103 HB2 LYS 103 -25.598 -8.164 5.100 892 HG2 LYS 103 HG3 LYS 103 -24.164 -9.334 2.705 893 HG3 LYS 103 HG2 LYS 103 -25.638 -10.023 3.428 894 HD2 LYS 103 HD3 LYS 103 -26.764 -7.811 3.066 895 HD3 LYS 103 HD2 LYS 103 -25.314 -7.274 2.184 896 HE2 LYS 103 HE3 LYS 103 -27.001 -8.039 0.616 897 HE3 LYS 103 HE2 LYS 103 -25.609 -9.148 0.601 898 HZ1 LYS 103 HZ1 LYS 103 -28.166 -9.610 2.054 899 HZ2 LYS 103 HZ2 LYS 103 -26.848 -10.665 2.006 900 HZ3 LYS 103 HZ3 LYS 103 -27.715 -10.340 0.593 901 H HIS 104 H HIS 104 -25.742 -6.605 5.849 902 HA HIS 104 HA HIS 104 -24.247 -5.577 8.132 903 HB2 HIS 104 HB3 HIS 104 -25.678 -3.442 8.061 904 HB3 HIS 104 HB2 HIS 104 -24.256 -3.554 6.996 905 HD1 HIS 104 HD1 HIS 104 -28.017 -4.215 6.707 906 HD2 HIS 104 HD2 HIS 104 -24.804 -2.811 4.458 907 HE1 HIS 104 HE1 HIS 104 -29.004 -3.503 4.496 908 HE2 HIS 104 HE2 HIS 104 -27.060 -2.530 3.215 909 H GLN 105 H GLN 105 -25.147 -6.912 9.578 910 HA GLN 105 HA GLN 105 -27.928 -7.615 9.568 911 HB2 GLN 105 HB3 GLN 105 -25.700 -8.005 11.563 912 HB3 GLN 105 HB2 GLN 105 -27.380 -8.480 11.913 913 HG2 GLN 105 HG3 GLN 105 -27.365 -9.982 9.988 914 HG3 GLN 105 HG2 GLN 105 -25.696 -9.492 9.609 915 HE21 GLN 105 HE22 GLN 105 -24.818 -9.395 12.341 916 HE22 GLN 105 HE21 GLN 105 -24.710 -11.027 12.901 917 H LYS 106 H LYS 106 -29.569 -6.940 10.969 918 HA LYS 106 HA LYS 106 -29.118 -4.812 12.867 919 HB2 LYS 106 HB3 LYS 106 -29.180 -3.684 10.593 920 HB3 LYS 106 HB2 LYS 106 -30.874 -4.218 10.472 921 HG2 LYS 106 HG3 LYS 106 -31.515 -2.867 12.331 922 HG3 LYS 106 HG2 LYS 106 -29.818 -2.498 12.725 923 HD2 LYS 106 HD3 LYS 106 -29.647 -1.443 10.420 924 HD3 LYS 106 HD2 LYS 106 -31.418 -1.592 10.318 925 HE2 LYS 106 HE3 LYS 106 -30.090 -0.241 12.664 926 HE3 LYS 106 HE2 LYS 106 -30.409 0.638 11.149 927 HZ1 LYS 106 HZ1 LYS 106 -32.195 0.937 12.730 928 HZ2 LYS 106 HZ2 LYS 106 -32.451 -0.728 12.828 929 HZ3 LYS 106 HZ3 LYS 106 -32.754 0.089 11.379 930 H SER 107 H SER 107 -31.731 -6.109 10.800 931 HA SER 107 HA SER 107 -33.019 -7.480 12.950 932 HB2 SER 107 HB3 SER 107 -33.573 -5.053 13.453 933 HB3 SER 107 HB2 SER 107 -34.462 -5.015 11.911 934 HG SER 107 HG SER 107 -36.007 -6.215 12.758 935 H5' DA 1 H5' DA 1 -22.110 17.133 11.470 936 H5'' DA 1 H5'' DA 1 -22.031 16.589 13.157 937 H4' DA 1 H4' DA 1 -22.890 14.763 12.039 938 H3' DA 1 H3' DA 1 -20.602 14.265 13.292 939 H2' DA 1 H2' DA 1 -19.032 14.699 11.563 940 H2'' DA 1 H2'' DA 1 -19.318 12.999 11.230 941 H1' DA 1 H1' DA 1 -20.697 13.413 9.397 942 H8 DA 1 H8 DA 1 -18.822 16.585 10.550 943 H61 DA 1 H61 DA 1 -17.262 18.004 6.189 944 H62 DA 1 H62 DA 1 -17.532 17.437 4.558 945 H2 DA 1 H2 DA 1 -20.282 13.892 4.906 946 HO5' DA 1 HO5' DA 1 -19.843 16.228 12.916 947 H5' DA 2 H5' DA 2 -22.067 11.904 9.249 948 H5'' DA 2 H5'' DA 2 -22.644 10.663 10.380 949 H4' DA 2 H4' DA 2 -22.452 9.503 8.404 950 H3' DA 2 H3' DA 2 -20.865 8.568 10.326 951 H2' DA 2 H2' DA 2 -18.852 9.741 9.873 952 H2'' DA 2 H2'' DA 2 -18.580 8.359 8.827 953 H1' DA 2 H1' DA 2 -19.120 9.507 6.879 954 H8 DA 2 H8 DA 2 -18.442 11.788 9.903 955 H61 DA 2 H61 DA 2 -15.712 15.065 7.592 956 H62 DA 2 H62 DA 2 -15.288 15.320 5.914 957 H2 DA 2 H2 DA 2 -17.338 12.061 3.587 958 H5' DG 3 H5' DG 3 -20.202 8.513 5.660 959 H5'' DG 3 H5'' DG 3 -20.962 6.912 5.731 960 H4' DG 3 H4' DG 3 -20.030 6.928 3.635 961 H3' DG 3 H3' DG 3 -19.025 5.025 5.190 962 H2' DG 3 H2' DG 3 -17.146 6.158 6.120 963 H2'' DG 3 H2'' DG 3 -16.376 5.485 4.694 964 H1' DG 3 H1' DG 3 -16.415 7.495 3.511 965 H8 DG 3 H8 DG 3 -17.042 7.915 7.286 966 H1 DG 3 H1 DG 3 -13.181 12.269 4.585 967 H21 DG 3 H21 DG 3 -14.108 10.777 1.598 968 H22 DG 3 H22 DG 3 -13.166 12.022 2.383 969 H5' DA 4 H5' DA 4 -16.692 7.064 1.462 970 H5'' DA 4 H5'' DA 4 -17.269 5.639 0.574 971 H4' DA 4 H4' DA 4 -15.598 6.415 -0.794 972 H3' DA 4 H3' DA 4 -15.062 3.987 0.144 973 H2' DA 4 H2' DA 4 -13.848 4.526 2.125 974 H2'' DA 4 H2'' DA 4 -12.500 4.484 1.000 975 H1' DA 4 H1' DA 4 -12.311 6.779 0.847 976 H8 DA 4 H8 DA 4 -14.498 5.625 3.799 977 H61 DA 4 H61 DA 4 -12.547 8.523 7.163 978 H62 DA 4 H62 DA 4 -11.388 9.831 7.115 979 H2 DA 4 H2 DA 4 -10.206 10.292 2.793 980 H5' DT 5 H5' DT 5 -11.991 7.081 -1.114 981 H5'' DT 5 H5'' DT 5 -11.910 6.359 -2.733 982 H4' DT 5 H4' DT 5 -10.134 7.785 -2.804 983 H3' DT 5 H3' DT 5 -9.361 5.231 -2.909 984 H2' DT 5 H2' DT 5 -8.865 4.802 -0.625 985 H2'' DT 5 H2'' DT 5 -7.303 5.445 -1.104 986 H1' DT 5 H1' DT 5 -7.667 7.531 -0.147 987 H3 DT 5 H3 DT 5 -8.401 7.661 4.245 988 H71 DT 5 H71 DT 5 -12.034 4.478 3.380 989 H72 DT 5 H72 DT 5 -10.632 3.558 3.976 990 H73 DT 5 H73 DT 5 -11.109 3.444 2.265 991 H6 DT 5 H6 DT 5 -10.202 4.986 0.728 992 H5' DA 6 H5' DA 6 -6.571 8.542 -1.295 993 H5'' DA 6 H5'' DA 6 -5.883 8.727 -2.921 994 H4' DA 6 H4' DA 6 -4.325 9.775 -1.612 995 H3' DA 6 H3' DA 6 -3.395 7.603 -2.872 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14.869 -3.149 4.090 1175 H6 DT 21 H6 DT 21 13.774 -4.347 2.425 1176 H5' DA 22 H5' DA 22 9.593 -7.540 -0.573 1177 H5'' DA 22 H5'' DA 22 9.285 -7.296 -2.304 1178 H4' DA 22 H4' DA 22 7.278 -8.118 -1.533 1179 H3' DA 22 H3' DA 22 7.096 -5.644 -2.534 1180 H2' DA 22 H2' DA 22 7.227 -4.305 -0.599 1181 H2'' DA 22 H2'' DA 22 5.508 -4.654 -0.494 1182 H1' DA 22 H1' DA 22 5.724 -6.190 1.188 1183 H8 DA 22 H8 DA 22 8.891 -4.079 0.636 1184 H61 DA 22 H61 DA 22 9.920 -3.335 5.308 1185 H62 DA 22 H62 DA 22 9.275 -3.946 6.813 1186 H2 DA 22 H2 DA 22 5.972 -6.799 5.658 1187 H5' DT 23 H5' DT 23 4.663 -7.457 0.392 1188 H5'' DT 23 H5'' DT 23 3.511 -8.208 -0.728 1189 H4' DT 23 H4' DT 23 2.534 -8.696 1.260 1190 H3' DT 23 H3' DT 23 1.039 -6.970 -0.131 1191 H2' DT 23 H2' DT 23 1.675 -4.893 0.802 1192 H2'' DT 23 H2'' DT 23 0.468 -5.321 2.003 1193 H1' DT 23 H1' DT 23 2.020 -5.919 3.605 1194 H3 DT 23 H3 DT 23 5.070 -2.963 4.885 1195 H71 DT 23 H71 DT 23 5.207 -1.256 0.519 1196 H72 DT 23 H72 DT 23 4.638 -2.614 -0.479 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3.614 9.592 1242 H72 DT 27 H72 DT 27 -7.895 3.825 11.274 1243 H73 DT 27 H73 DT 27 -7.007 2.736 10.181 1244 H6 DT 27 H6 DT 27 -6.398 5.568 11.746 1245 H5' DA 28 H5' DA 28 -3.390 10.060 11.125 1246 H5'' DA 28 H5'' DA 28 -2.922 11.299 12.306 1247 H4' DA 28 H4' DA 28 -2.560 12.402 10.341 1248 H3' DA 28 H3' DA 28 -4.511 13.524 11.742 1249 H2' DA 28 H2' DA 28 -6.434 12.467 10.848 1250 H2'' DA 28 H2'' DA 28 -6.314 13.774 9.679 1251 H1' DA 28 H1' DA 28 -5.450 12.435 8.009 1252 H8 DA 28 H8 DA 28 -6.756 10.344 10.975 1253 H61 DA 28 H61 DA 28 -9.141 7.022 8.370 1254 H62 DA 28 H62 DA 28 -9.281 6.699 6.654 1255 H2 DA 28 H2 DA 28 -6.769 9.796 4.579 1256 H5' DT 29 H5' DT 29 -4.389 13.693 7.299 1257 H5'' DT 29 H5'' DT 29 -3.428 15.182 7.321 1258 H4' DT 29 H4' DT 29 -4.030 15.208 5.151 1259 H3' DT 29 H3' DT 29 -5.348 17.143 6.410 1260 H2' DT 29 H2' DT 29 -7.346 15.991 7.016 1261 H2'' DT 29 H2'' DT 29 -7.844 16.604 5.448 1262 H1' DT 29 H1' DT 29 -7.525 14.565 4.358 1263 H3 DT 29 H3 DT 29 -9.963 11.085 5.677 1264 H71 DT 29 H71 DT 29 -10.055 13.187 9.977 1265 H72 DT 29 H72 DT 29 -8.729 12.022 10.202 1266 H73 DT 29 H73 DT 29 -8.376 13.764 10.098 1267 H6 DT 29 H6 DT 29 -7.516 14.426 8.052 1268 H5' DC 30 H5' DC 30 -6.931 15.169 2.592 1269 H5'' DC 30 H5'' DC 30 -6.197 16.454 1.614 1270 H4' DC 30 H4' DC 30 -7.575 15.505 0.074 1271 H3' DC 30 H3' DC 30 -8.389 17.961 0.674 1272 H2' DC 30 H2' DC 30 -9.942 17.534 2.421 1273 H2'' DC 30 H2'' DC 30 -11.044 17.382 1.061 1274 H1' DC 30 H1' DC 30 -11.079 15.076 1.106 1275 H41 DC 30 H41 DC 30 -11.470 14.526 7.686 1276 H42 DC 30 H42 DC 30 -12.466 13.273 6.988 1277 H5 DC 30 H5 DC 30 -10.111 16.035 6.331 1278 H6 DC 30 H6 DC 30 -9.452 16.618 4.053 1279 H5' DT 31 H5' DT 31 -11.265 14.723 -0.716 1280 H5'' DT 31 H5'' DT 31 -10.820 15.208 -2.363 1281 H4' DT 31 H4' DT 31 -12.574 13.900 -2.870 1282 H3' DT 31 H3' DT 31 -13.278 16.413 -3.311 1283 H2' DT 31 H2' DT 31 -14.231 17.009 -1.218 1284 H2'' DT 31 H2'' DT 31 -15.675 16.376 -1.992 1285 H1' DT 31 H1' DT 31 -15.626 14.372 -0.822 1286 H3 DT 31 H3 DT 31 -15.657 14.337 3.622 1287 H71 DT 31 H71 DT 31 -12.488 18.416 2.024 1288 H72 DT 31 H72 DT 31 -13.556 18.599 3.435 1289 H73 DT 31 H73 DT 31 -12.102 17.581 3.547 1290 H6 DT 31 H6 DT 31 -13.277 16.944 0.411 1291 H5' DT 32 H5' DT 32 -16.390 13.319 -2.223 1292 H5'' DT 32 H5'' DT 32 -16.770 12.942 -3.915 1293 H4' DT 32 H4' DT 32 -18.587 12.031 -2.953 1294 H3' DT 32 H3' DT 32 -19.318 14.231 -4.259 1295 HO3' DT 32 HO3' DT 32 -20.758 12.397 -2.693 1296 H2' DT 32 H2' DT 32 -19.232 15.844 -2.505 1297 H2'' DT 32 H2'' DT 32 -20.892 15.306 -2.307 1298 H1' DT 32 H1' DT 32 -20.407 13.948 -0.468 1299 H3 DT 32 H3 DT 32 -18.655 15.761 3.198 1300 H71 DT 32 H71 DT 32 -16.288 18.084 -1.067 1301 H72 DT 32 H72 DT 32 -15.545 18.166 0.547 1302 H73 DT 32 H73 DT 32 -16.982 19.148 0.178 1303 H6 DT 32 H6 DT 32 -17.783 16.344 -1.454 Start of MODEL 2 1 H1 LYS 1 H1 LYS 1 3.426 16.832 8.008 2 H2 LYS 1 H2 LYS 1 2.427 17.684 9.067 3 H3 LYS 1 H3 LYS 1 1.749 16.703 7.870 4 HA LYS 1 HA LYS 1 3.402 15.772 10.150 5 HB2 LYS 1 HB3 LYS 1 1.216 16.559 10.879 6 HB3 LYS 1 HB2 LYS 1 0.423 15.525 9.666 7 HG2 LYS 1 HG3 LYS 1 1.119 13.537 10.802 8 HG3 LYS 1 HG2 LYS 1 2.154 14.468 11.911 9 HD2 LYS 1 HD3 LYS 1 0.105 13.846 13.044 10 HD3 LYS 1 HD2 LYS 1 0.132 15.607 12.787 11 HE2 LYS 1 HE3 LYS 1 -1.288 15.290 10.769 12 HE3 LYS 1 HE2 LYS 1 -1.384 13.553 11.149 13 HZ1 LYS 1 HZ1 LYS 1 -3.206 15.242 11.957 14 HZ2 LYS 1 HZ2 LYS 1 -2.132 15.462 13.243 15 HZ3 LYS 1 HZ3 LYS 1 -2.751 13.922 12.912 16 H VAL 2 H VAL 2 1.143 14.693 7.576 17 HA VAL 2 HA VAL 2 2.186 12.000 7.693 18 HB VAL 2 HB VAL 2 0.725 11.576 5.726 19 HG11 VAL 2 HG11 VAL 2 -1.407 11.895 6.918 20 HG12 VAL 2 HG12 VAL 2 -0.598 12.999 8.055 21 HG13 VAL 2 HG13 VAL 2 -0.127 11.284 7.992 22 HG21 VAL 2 HG21 VAL 2 -0.020 14.501 6.037 23 HG22 VAL 2 HG22 VAL 2 -0.847 13.323 4.991 24 HG23 VAL 2 HG23 VAL 2 0.843 13.772 4.662 25 H LYS 3 H LYS 3 3.363 14.780 6.428 26 HA LYS 3 HA LYS 3 4.972 15.362 4.923 27 HB2 LYS 3 HB3 LYS 3 5.580 12.413 5.206 28 HB3 LYS 3 HB2 LYS 3 6.604 13.556 4.304 29 HG2 LYS 3 HG3 LYS 3 7.311 14.640 6.215 30 HG3 LYS 3 HG2 LYS 3 5.889 14.132 7.158 31 HD2 LYS 3 HD3 LYS 3 7.770 12.029 6.148 32 HD3 LYS 3 HD2 LYS 3 8.269 13.025 7.537 33 HE2 LYS 3 HE3 LYS 3 6.062 12.425 8.622 34 HE3 LYS 3 HE2 LYS 3 5.821 11.251 7.305 35 HZ1 LYS 3 HZ1 LYS 3 7.548 9.935 8.045 36 HZ2 LYS 3 HZ2 LYS 3 6.905 10.491 9.512 37 HZ3 LYS 3 HZ3 LYS 3 8.306 11.192 8.888 38 H PHE 4 H PHE 4 6.005 14.455 2.685 39 HA PHE 4 HA PHE 4 5.684 14.177 0.448 40 HB2 PHE 4 HB3 PHE 4 4.648 11.956 1.554 41 HB3 PHE 4 HB2 PHE 4 3.191 12.601 0.760 42 HD1 PHE 4 HD1 PHE 4 6.774 11.780 0.073 43 HD2 PHE 4 HD2 PHE 4 2.804 12.127 -1.474 44 HE1 PHE 4 HE1 PHE 4 7.527 10.815 -2.068 45 HE2 PHE 4 HE2 PHE 4 3.553 11.171 -3.621 46 HZ PHE 4 HZ PHE 4 5.917 10.510 -3.921 47 H THR 5 H THR 5 3.927 14.330 -1.330 48 HA THR 5 HA THR 5 1.497 15.578 -1.095 49 HB THR 5 HB THR 5 2.730 17.447 0.058 50 HG1 THR 5 HG1 THR 5 1.394 18.839 -0.872 51 HG21 THR 5 HG21 THR 5 4.851 17.325 -1.184 52 HG22 THR 5 HG22 THR 5 4.135 18.951 -1.297 53 HG23 THR 5 HG23 THR 5 4.014 17.828 -2.672 54 H GLU 6 H GLU 6 1.114 17.025 -3.187 55 HA GLU 6 HA GLU 6 1.467 15.353 -5.414 56 HB2 GLU 6 HB3 GLU 6 0.923 18.337 -5.399 57 HB3 GLU 6 HB2 GLU 6 0.589 17.202 -6.729 58 HG2 GLU 6 HG3 GLU 6 -1.148 16.145 -5.526 59 HG3 GLU 6 HG2 GLU 6 -0.662 16.915 -3.996 60 H GLU 7 H GLU 7 3.318 18.173 -4.330 61 HA GLU 7 HA GLU 7 4.959 18.432 -6.612 62 HB2 GLU 7 HB3 GLU 7 5.844 19.104 -3.809 63 HB3 GLU 7 HB2 GLU 7 6.312 19.877 -5.342 64 HG2 GLU 7 HG3 GLU 7 3.787 20.488 -5.502 65 HG3 GLU 7 HG2 GLU 7 3.783 20.162 -3.752 66 H GLU 8 H GLU 8 5.339 16.531 -3.637 67 HA GLU 8 HA GLU 8 7.973 15.632 -4.188 68 HB2 GLU 8 HB3 GLU 8 5.866 14.239 -2.521 69 HB3 GLU 8 HB2 GLU 8 7.629 14.002 -2.449 70 HG2 GLU 8 HG3 GLU 8 5.991 16.348 -1.518 71 HG3 GLU 8 HG2 GLU 8 7.122 15.329 -0.594 72 H ASP 9 H ASP 9 4.779 14.412 -4.997 73 HA ASP 9 HA ASP 9 5.520 11.884 -6.009 74 HB2 ASP 9 HB3 ASP 9 3.219 12.286 -5.577 75 HB3 ASP 9 HB2 ASP 9 3.207 13.755 -6.583 76 H LEU 10 H LEU 10 5.178 15.058 -7.563 77 HA LEU 10 HA LEU 10 5.847 14.261 -10.187 78 HB2 LEU 10 HB3 LEU 10 6.228 16.914 -8.779 79 HB3 LEU 10 HB2 LEU 10 6.431 16.653 -10.528 80 HG LEU 10 HG LEU 10 3.853 16.259 -8.996 81 HD11 LEU 10 HD11 LEU 10 3.120 18.333 -10.105 82 HD12 LEU 10 HD12 LEU 10 4.751 18.537 -10.787 83 HD13 LEU 10 HD13 LEU 10 4.508 18.612 -9.026 84 HD21 LEU 10 HD21 LEU 10 4.455 16.279 -11.970 85 HD22 LEU 10 HD22 LEU 10 2.837 16.165 -11.237 86 HD23 LEU 10 HD23 LEU 10 4.020 14.858 -10.991 87 H LYS 11 H LYS 11 7.828 15.341 -7.454 88 HA LYS 11 HA LYS 11 10.316 15.390 -8.819 89 HB2 LYS 11 HB3 LYS 11 9.678 14.932 -5.887 90 HB3 LYS 11 HB2 LYS 11 11.308 15.222 -6.542 91 HG2 LYS 11 HG3 LYS 11 10.770 17.446 -7.151 92 HG3 LYS 11 HG2 LYS 11 9.031 17.175 -6.888 93 HD2 LYS 11 HD3 LYS 11 9.592 16.716 -4.457 94 HD3 LYS 11 HD2 LYS 11 11.232 17.312 -4.810 95 HE2 LYS 11 HE3 LYS 11 10.362 19.470 -5.465 96 HE3 LYS 11 HE2 LYS 11 8.688 18.887 -5.298 97 HZ1 LYS 11 HZ1 LYS 11 9.044 18.601 -2.935 98 HZ2 LYS 11 HZ2 LYS 11 9.399 20.199 -3.388 99 HZ3 LYS 11 HZ3 LYS 11 10.655 19.115 -3.081 100 H LEU 12 H LEU 12 8.543 12.879 -7.105 101 HA LEU 12 HA LEU 12 10.521 10.895 -6.990 102 HB2 LEU 12 HB3 LEU 12 8.315 10.888 -5.819 103 HB3 LEU 12 HB2 LEU 12 7.549 10.485 -7.375 104 HG LEU 12 HG LEU 12 8.906 8.392 -7.419 105 HD11 LEU 12 HD11 LEU 12 9.911 7.616 -5.308 106 HD12 LEU 12 HD12 LEU 12 9.560 9.195 -4.566 107 HD13 LEU 12 HD13 LEU 12 10.710 9.084 -5.919 108 HD21 LEU 12 HD21 LEU 12 7.071 8.788 -5.033 109 HD22 LEU 12 HD22 LEU 12 7.515 7.222 -5.753 110 HD23 LEU 12 HD23 LEU 12 6.570 8.399 -6.696 111 H GLN 13 H GLN 13 7.973 11.414 -9.437 112 HA GLN 13 HA GLN 13 8.631 9.346 -11.184 113 HB2 GLN 13 HB3 GLN 13 6.595 10.597 -11.430 114 HB3 GLN 13 HB2 GLN 13 7.500 12.095 -11.757 115 HG2 GLN 13 HG3 GLN 13 6.558 11.256 -13.800 116 HG3 GLN 13 HG2 GLN 13 8.331 11.105 -13.854 117 HE21 GLN 13 HE22 GLN 13 9.258 9.079 -13.878 118 HE22 GLN 13 HE21 GLN 13 8.346 7.636 -14.156 119 H GLN 14 H GLN 14 10.129 12.498 -10.816 120 HA GLN 14 HA GLN 14 11.762 12.210 -13.192 121 HB2 GLN 14 HB3 GLN 14 11.859 14.244 -10.948 122 HB3 GLN 14 HB2 GLN 14 12.813 14.313 -12.450 123 HG2 GLN 14 HG3 GLN 14 9.795 14.254 -12.410 124 HG3 GLN 14 HG2 GLN 14 10.743 15.760 -12.356 125 HE21 GLN 14 HE22 GLN 14 9.906 16.453 -14.312 126 HE22 GLN 14 HE21 GLN 14 10.387 15.769 -15.822 127 H LEU 15 H LEU 15 12.247 11.979 -9.678 128 HA LEU 15 HA LEU 15 15.053 11.566 -9.822 129 HB2 LEU 15 HB3 LEU 15 12.991 11.478 -7.751 130 HB3 LEU 15 HB2 LEU 15 14.314 10.314 -7.500 131 HG LEU 15 HG LEU 15 15.939 12.161 -7.634 132 HD11 LEU 15 HD11 LEU 15 15.156 14.493 -7.525 133 HD12 LEU 15 HD12 LEU 15 13.481 13.936 -7.750 134 HD13 LEU 15 HD13 LEU 15 14.678 13.702 -9.046 135 HD21 LEU 15 HD21 LEU 15 13.738 12.557 -5.586 136 HD22 LEU 15 HD22 LEU 15 15.399 13.182 -5.459 137 HD23 LEU 15 HD23 LEU 15 15.106 11.426 -5.462 138 H VAL 16 H VAL 16 12.317 9.302 -9.730 139 HA VAL 16 HA VAL 16 13.893 6.941 -9.605 140 HB VAL 16 HB VAL 16 11.102 7.338 -10.756 141 HG11 VAL 16 HG11 VAL 16 10.836 4.908 -10.445 142 HG12 VAL 16 HG12 VAL 16 12.541 4.787 -9.951 143 HG13 VAL 16 HG13 VAL 16 12.128 5.284 -11.610 144 HG21 VAL 16 HG21 VAL 16 12.025 6.386 -8.027 145 HG22 VAL 16 HG22 VAL 16 10.340 6.435 -8.596 146 HG23 VAL 16 HG23 VAL 16 11.254 7.948 -8.394 147 H MET 17 H MET 17 12.807 8.987 -12.218 148 HA MET 17 HA MET 17 13.537 7.262 -14.365 149 HB2 MET 17 HB3 MET 17 11.997 9.219 -14.544 150 HB3 MET 17 HB2 MET 17 13.405 10.291 -14.352 151 HG2 MET 17 HG3 MET 17 14.380 9.258 -16.404 152 HG3 MET 17 HG2 MET 17 12.853 8.369 -16.620 153 HE1 MET 17 HE1 MET 17 12.318 10.922 -19.435 154 HE2 MET 17 HE2 MET 17 12.141 9.233 -18.904 155 HE3 MET 17 HE3 MET 17 13.760 9.961 -19.029 156 H ARG 18 H ARG 18 15.251 9.726 -12.513 157 HA ARG 18 HA ARG 18 17.606 9.643 -14.166 158 HB2 ARG 18 HB3 ARG 18 16.947 10.938 -11.523 159 HB3 ARG 18 HB2 ARG 18 18.572 11.009 -12.247 160 HG2 ARG 18 HG3 ARG 18 17.818 12.284 -14.079 161 HG3 ARG 18 HG2 ARG 18 16.109 11.917 -13.738 162 HD2 ARG 18 HD3 ARG 18 16.826 14.234 -13.093 163 HD3 ARG 18 HD2 ARG 18 16.132 13.276 -11.763 164 HE ARG 18 HE ARG 18 19.005 13.118 -11.915 165 HH11 ARG 18 HH11 ARG 18 16.317 15.008 -10.706 166 HH12 ARG 18 HH12 ARG 18 17.231 15.715 -9.412 167 HH21 ARG 18 HH22 ARG 18 20.208 14.043 -10.206 168 HH22 ARG 18 HH21 ARG 18 19.440 15.168 -9.129 169 H TYR 19 H TYR 19 16.814 8.410 -10.904 170 HA TYR 19 HA TYR 19 19.458 7.185 -10.753 171 HB2 TYR 19 HB3 TYR 19 17.225 7.396 -8.736 172 HB3 TYR 19 HB2 TYR 19 18.747 6.518 -8.450 173 HD1 TYR 19 HD2 TYR 19 20.941 7.907 -8.901 174 HD2 TYR 19 HD1 TYR 19 17.108 9.654 -8.152 175 HE1 TYR 19 HE2 TYR 19 22.032 10.010 -8.224 176 HE2 TYR 19 HE1 TYR 19 18.199 11.764 -7.490 177 HH TYR 19 HH TYR 19 21.629 12.268 -7.920 178 H GLY 20 H GLY 20 16.148 6.146 -11.237 179 HA2 GLY 20 HA3 GLY 20 15.863 4.062 -12.470 180 HA3 GLY 20 HA2 GLY 20 17.205 3.395 -11.508 181 H ALA 21 H ALA 21 15.254 1.785 -11.402 182 HA ALA 21 HA ALA 21 13.421 2.499 -9.224 183 HB1 ALA 21 HB1 ALA 21 12.218 0.437 -9.839 184 HB2 ALA 21 HB2 ALA 21 13.450 0.100 -11.079 185 HB3 ALA 21 HB3 ALA 21 12.413 1.539 -11.223 186 H LYS 22 H LYS 22 16.261 1.979 -8.695 187 HA LYS 22 HA LYS 22 15.837 -0.160 -6.722 188 HB2 LYS 22 HB3 LYS 22 17.165 -0.849 -8.917 189 HB3 LYS 22 HB2 LYS 22 18.514 -0.107 -8.024 190 HG2 LYS 22 HG3 LYS 22 17.692 -1.617 -6.060 191 HG3 LYS 22 HG2 LYS 22 16.883 -2.538 -7.350 192 HD2 LYS 22 HD3 LYS 22 19.091 -2.714 -8.519 193 HD3 LYS 22 HD2 LYS 22 19.848 -1.947 -7.102 194 HE2 LYS 22 HE3 LYS 22 18.701 -3.821 -5.740 195 HE3 LYS 22 HE2 LYS 22 18.492 -4.635 -7.309 196 HZ1 LYS 22 HZ1 LYS 22 21.079 -3.781 -6.118 197 HZ2 LYS 22 HZ2 LYS 22 20.896 -4.533 -7.620 198 HZ3 LYS 22 HZ3 LYS 22 20.502 -5.367 -6.201 199 H ASP 23 H ASP 23 17.764 2.595 -7.775 200 HA ASP 23 HA ASP 23 19.139 2.767 -5.228 201 HB2 ASP 23 HB3 ASP 23 20.045 3.473 -7.559 202 HB3 ASP 23 HB2 ASP 23 19.124 4.970 -7.277 203 H TRP 24 H TRP 24 16.704 2.750 -4.397 204 HA TRP 24 HA TRP 24 15.379 5.282 -4.333 205 HB2 TRP 24 HB3 TRP 24 15.116 2.823 -2.570 206 HB3 TRP 24 HB2 TRP 24 14.016 4.222 -2.544 207 HD1 TRP 24 HD1 TRP 24 14.840 1.075 -4.570 208 HE1 TRP 24 HE1 TRP 24 13.040 0.758 -6.379 209 HE3 TRP 24 HE3 TRP 24 12.347 5.519 -4.033 210 HZ2 TRP 24 HZ2 TRP 24 10.858 2.164 -7.441 211 HZ3 TRP 24 HZ3 TRP 24 10.395 5.956 -5.483 212 HH2 TRP 24 HH2 TRP 24 9.662 4.301 -7.159 213 H ILE 25 H ILE 25 18.086 4.013 -2.748 214 HA ILE 25 HA ILE 25 17.855 5.374 -0.256 215 HB ILE 25 HB ILE 25 20.396 5.018 -0.156 216 HG12 ILE 25 HG12 ILE 25 19.774 3.315 -2.587 217 HG13 ILE 25 HG13 ILE 25 20.726 4.819 -2.596 218 HG21 ILE 25 HG21 ILE 25 20.106 2.620 0.347 219 HG22 ILE 25 HG22 ILE 25 18.531 2.644 -0.481 220 HG23 ILE 25 HG23 ILE 25 18.773 3.602 0.999 221 HD11 ILE 25 HD11 ILE 25 22.403 3.767 -1.150 222 HD12 ILE 25 HD12 ILE 25 22.172 2.851 -2.658 223 HD13 ILE 25 HD13 ILE 25 21.452 2.263 -1.141 224 H ARG 26 H ARG 26 19.133 6.245 -3.414 225 HA ARG 26 HA ARG 26 20.444 8.626 -2.581 226 HB2 ARG 26 HB3 ARG 26 20.146 7.233 -4.973 227 HB3 ARG 26 HB2 ARG 26 19.330 8.788 -5.262 228 HG2 ARG 26 HG3 ARG 26 21.693 8.832 -5.935 229 HG3 ARG 26 HG2 ARG 26 21.341 9.996 -4.635 230 HD2 ARG 26 HD3 ARG 26 23.465 8.780 -4.275 231 HD3 ARG 26 HD2 ARG 26 22.279 8.489 -2.979 232 HE ARG 26 HE ARG 26 21.887 6.423 -4.737 233 HH11 ARG 26 HH11 ARG 26 24.642 7.674 -2.962 234 HH12 ARG 26 HH12 ARG 26 25.421 6.131 -2.838 235 HH21 ARG 26 HH22 ARG 26 22.919 4.417 -4.619 236 HH22 ARG 26 HH21 ARG 26 24.440 4.268 -3.781 237 H ILE 27 H ILE 27 17.121 7.815 -3.202 238 HA ILE 27 HA ILE 27 16.221 10.558 -3.430 239 HB ILE 27 HB ILE 27 14.602 8.025 -2.921 240 HG12 ILE 27 HG12 ILE 27 15.234 9.401 -5.551 241 HG13 ILE 27 HG13 ILE 27 16.012 7.910 -4.967 242 HG21 ILE 27 HG21 ILE 27 12.737 9.325 -3.870 243 HG22 ILE 27 HG22 ILE 27 13.802 10.744 -4.014 244 HG23 ILE 27 HG23 ILE 27 13.394 10.097 -2.407 245 HD11 ILE 27 HD11 ILE 27 13.845 6.764 -5.008 246 HD12 ILE 27 HD12 ILE 27 14.268 7.422 -6.607 247 HD13 ILE 27 HD13 ILE 27 13.067 8.255 -5.592 248 H SER 28 H SER 28 16.994 8.331 -0.952 249 HA SER 28 HA SER 28 15.291 9.372 1.116 250 HB2 SER 28 HB3 SER 28 17.904 7.895 1.528 251 HB3 SER 28 HB2 SER 28 16.493 7.967 2.611 252 HG SER 28 HG SER 28 15.737 7.031 0.200 253 H GLN 29 H GLN 29 18.026 10.535 -0.466 254 HA GLN 29 HA GLN 29 19.239 11.962 1.705 255 HB2 GLN 29 HB3 GLN 29 19.460 12.341 -1.293 256 HB3 GLN 29 HB2 GLN 29 20.469 13.160 -0.076 257 HG2 GLN 29 HG3 GLN 29 21.356 11.026 0.665 258 HG3 GLN 29 HG2 GLN 29 20.296 10.165 -0.477 259 HE21 GLN 29 HE22 GLN 29 20.686 12.058 -2.633 260 HE22 GLN 29 HE21 GLN 29 22.292 11.808 -3.225 261 H LEU 30 H LEU 30 16.540 12.495 -0.384 262 HA LEU 30 HA LEU 30 16.355 15.326 0.452 263 HB2 LEU 30 HB3 LEU 30 14.821 13.786 -1.668 264 HB3 LEU 30 HB2 LEU 30 14.603 15.508 -1.272 265 HG LEU 30 HG LEU 30 17.058 14.224 -2.491 266 HD11 LEU 30 HD11 LEU 30 16.483 15.599 -4.453 267 HD12 LEU 30 HD12 LEU 30 15.011 16.156 -3.623 268 HD13 LEU 30 HD13 LEU 30 15.194 14.439 -4.053 269 HD21 LEU 30 HD21 LEU 30 16.519 17.123 -1.776 270 HD22 LEU 30 HD22 LEU 30 17.926 16.521 -2.683 271 HD23 LEU 30 HD23 LEU 30 17.690 16.041 -0.985 272 H MET 31 H MET 31 14.742 12.210 0.396 273 HA MET 31 HA MET 31 12.850 13.170 2.464 274 HB2 MET 31 HB3 MET 31 12.542 11.189 0.220 275 HB3 MET 31 HB2 MET 31 11.585 11.002 1.710 276 HG2 MET 31 HG3 MET 31 10.801 13.382 1.361 277 HG3 MET 31 HG2 MET 31 11.559 13.304 -0.249 278 HE1 MET 31 HE1 MET 31 9.477 10.612 -2.106 279 HE2 MET 31 HE2 MET 31 11.058 10.442 -1.307 280 HE3 MET 31 HE3 MET 31 10.689 11.907 -2.248 281 H ILE 32 H ILE 32 14.147 12.724 4.201 282 HA ILE 32 HA ILE 32 15.242 9.996 4.449 283 HB ILE 32 HB ILE 32 16.834 11.880 4.755 284 HG12 ILE 32 HG12 ILE 32 17.765 11.119 6.954 285 HG13 ILE 32 HG13 ILE 32 16.295 10.137 7.166 286 HG21 ILE 32 HG21 ILE 32 16.725 13.253 6.793 287 HG22 ILE 32 HG22 ILE 32 15.142 12.538 7.180 288 HG23 ILE 32 HG23 ILE 32 15.336 13.533 5.717 289 HD11 ILE 32 HD11 ILE 32 16.837 8.886 5.127 290 HD12 ILE 32 HD12 ILE 32 18.152 8.789 6.322 291 HD13 ILE 32 HD13 ILE 32 18.306 9.868 4.915 292 H THR 33 H THR 33 12.819 12.107 5.598 293 HA THR 33 HA THR 33 12.317 10.659 8.068 294 HB THR 33 HB THR 33 10.224 12.309 7.912 295 HG1 THR 33 HG1 THR 33 10.776 14.130 6.616 296 HG21 THR 33 HG21 THR 33 12.081 12.479 9.544 297 HG22 THR 33 HG22 THR 33 11.608 14.080 8.927 298 HG23 THR 33 HG23 THR 33 13.079 13.290 8.313 299 H ARG 34 H ARG 34 11.927 9.665 5.116 300 HA ARG 34 HA ARG 34 9.301 8.413 5.631 301 HB2 ARG 34 HB3 ARG 34 8.734 9.978 3.991 302 HB3 ARG 34 HB2 ARG 34 10.302 9.821 3.162 303 HG2 ARG 34 HG3 ARG 34 9.675 7.745 2.185 304 HG3 ARG 34 HG2 ARG 34 8.226 7.623 3.212 305 HD2 ARG 34 HD3 ARG 34 8.627 9.926 1.301 306 HD3 ARG 34 HD2 ARG 34 7.918 8.382 0.769 307 HE ARG 34 HE ARG 34 6.050 8.796 2.128 308 HH11 ARG 34 HH11 ARG 34 8.337 11.428 2.164 309 HH12 ARG 34 HH12 ARG 34 7.262 12.532 2.966 310 HH21 ARG 34 HH22 ARG 34 4.629 10.200 3.176 311 HH22 ARG 34 HH21 ARG 34 5.125 11.809 3.562 312 H ASN 35 H ASN 35 9.213 6.257 5.172 313 HA ASN 35 HA ASN 35 11.579 4.747 4.952 314 HB2 ASN 35 HB3 ASN 35 9.212 4.128 5.843 315 HB3 ASN 35 HB2 ASN 35 8.827 3.771 4.142 316 HD21 ASN 35 HD22 ASN 35 9.101 2.074 6.660 317 HD22 ASN 35 HD21 ASN 35 10.204 0.822 6.199 318 HA PRO 36 HA PRO 36 12.304 5.575 0.574 319 HB2 PRO 36 HB3 PRO 36 14.310 3.600 0.387 320 HB3 PRO 36 HB2 PRO 36 14.578 5.298 0.849 321 HG2 PRO 36 HG3 PRO 36 14.266 2.872 2.580 322 HG3 PRO 36 HG2 PRO 36 15.354 4.268 2.767 323 HD2 PRO 36 HD3 PRO 36 13.126 4.040 4.256 324 HD3 PRO 36 HD2 PRO 36 13.664 5.627 3.655 325 H ARG 37 H ARG 37 12.007 2.354 1.974 326 HA ARG 37 HA ARG 37 11.497 0.945 -0.439 327 HB2 ARG 37 HB3 ARG 37 12.167 0.074 1.888 328 HB3 ARG 37 HB2 ARG 37 10.434 0.183 2.277 329 HG2 ARG 37 HG3 ARG 37 10.133 -1.261 0.127 330 HG3 ARG 37 HG2 ARG 37 11.852 -1.652 0.375 331 HD2 ARG 37 HD3 ARG 37 9.483 -2.243 2.125 332 HD3 ARG 37 HD2 ARG 37 10.784 -3.327 1.576 333 HE ARG 37 HE ARG 37 12.236 -2.280 3.186 334 HH11 ARG 37 HH11 ARG 37 8.863 -1.451 3.464 335 HH12 ARG 37 HH12 ARG 37 8.962 -1.032 5.142 336 HH21 ARG 37 HH22 ARG 37 12.395 -1.707 5.411 337 HH22 ARG 37 HH21 ARG 37 10.987 -1.173 6.262 338 H GLN 38 H GLN 38 9.515 2.863 1.693 339 HA GLN 38 HA GLN 38 7.026 1.839 0.608 340 HB2 GLN 38 HB3 GLN 38 7.624 4.045 2.573 341 HB3 GLN 38 HB2 GLN 38 5.989 3.701 1.959 342 HG2 GLN 38 HG3 GLN 38 7.681 2.189 3.874 343 HG3 GLN 38 HG2 GLN 38 5.921 2.461 3.854 344 HE21 GLN 38 HE22 GLN 38 4.608 1.074 2.628 345 HE22 GLN 38 HE21 GLN 38 5.189 -0.449 2.050 346 H CYS 39 H CYS 39 9.340 4.190 -0.198 347 HA CYS 39 HA CYS 39 7.653 5.981 -1.657 348 HB2 CYS 39 HB3 CYS 39 10.582 5.347 -2.149 349 HB3 CYS 39 HB2 CYS 39 9.693 6.803 -2.660 350 HG CYS 39 HG CYS 39 10.025 6.074 0.668 351 H ARG 40 H ARG 40 9.230 2.928 -2.222 352 HA ARG 40 HA ARG 40 8.798 2.776 -5.051 353 HB2 ARG 40 HB3 ARG 40 10.432 1.291 -4.279 354 HB3 ARG 40 HB2 ARG 40 9.463 0.808 -2.865 355 HG2 ARG 40 HG3 ARG 40 8.269 -0.751 -4.038 356 HG3 ARG 40 HG2 ARG 40 8.422 0.127 -5.580 357 HD2 ARG 40 HD3 ARG 40 9.768 -1.745 -5.887 358 HD3 ARG 40 HD2 ARG 40 10.924 -0.469 -5.433 359 HE ARG 40 HE ARG 40 9.934 -2.227 -3.311 360 HH11 ARG 40 HH11 ARG 40 12.488 -1.393 -5.548 361 HH12 ARG 40 HH12 ARG 40 13.725 -2.232 -4.665 362 HH21 ARG 40 HH22 ARG 40 11.553 -3.380 -2.155 363 HH22 ARG 40 HH21 ARG 40 13.191 -3.367 -2.733 364 H GLU 41 H GLU 41 7.033 1.982 -2.147 365 HA GLU 41 HA GLU 41 4.894 0.545 -3.372 366 HB2 GLU 41 HB3 GLU 41 5.530 0.413 -0.959 367 HB3 GLU 41 HB2 GLU 41 4.909 2.069 -0.749 368 HG2 GLU 41 HG3 GLU 41 2.803 0.727 -1.946 369 HG3 GLU 41 HG2 GLU 41 3.494 -0.477 -0.831 370 H ARG 42 H ARG 42 5.781 3.817 -3.347 371 HA ARG 42 HA ARG 42 3.040 4.761 -3.812 372 HB2 ARG 42 HB3 ARG 42 4.696 6.021 -2.334 373 HB3 ARG 42 HB2 ARG 42 5.562 6.432 -3.834 374 HG2 ARG 42 HG3 ARG 42 4.232 8.290 -3.548 375 HG3 ARG 42 HG2 ARG 42 3.213 7.291 -4.614 376 HD2 ARG 42 HD3 ARG 42 2.977 7.214 -1.603 377 HD3 ARG 42 HD2 ARG 42 2.083 8.387 -2.601 378 HE ARG 42 HE ARG 42 0.781 6.643 -3.460 379 HH11 ARG 42 HH11 ARG 42 3.083 5.510 -1.063 380 HH12 ARG 42 HH12 ARG 42 2.331 3.944 -0.881 381 HH21 ARG 42 HH22 ARG 42 -0.273 4.622 -3.149 382 HH22 ARG 42 HH21 ARG 42 0.409 3.462 -2.050 383 H TRP 43 H TRP 43 6.241 4.922 -5.374 384 HA TRP 43 HA TRP 43 5.415 5.961 -7.830 385 HB2 TRP 43 HB3 TRP 43 7.663 6.004 -7.794 386 HB3 TRP 43 HB2 TRP 43 7.777 4.548 -6.775 387 HD1 TRP 43 HD1 TRP 43 8.134 2.205 -7.999 388 HE1 TRP 43 HE1 TRP 43 8.784 1.578 -10.402 389 HE3 TRP 43 HE3 TRP 43 7.398 6.742 -10.265 390 HZ2 TRP 43 HZ2 TRP 43 8.991 2.805 -12.917 391 HZ3 TRP 43 HZ3 TRP 43 7.854 6.937 -12.687 392 HH2 TRP 43 HH2 TRP 43 8.633 4.995 -13.992 393 H ASN 44 H ASN 44 5.569 2.609 -6.725 394 HA ASN 44 HA ASN 44 4.734 1.567 -9.291 395 HB2 ASN 44 HB3 ASN 44 6.346 0.416 -7.752 396 HB3 ASN 44 HB2 ASN 44 4.978 0.095 -6.658 397 HD21 ASN 44 HD22 ASN 44 3.850 -1.690 -6.969 398 HD22 ASN 44 HD21 ASN 44 3.933 -2.708 -8.362 399 H ASN 45 H ASN 45 3.031 3.001 -6.752 400 HA ASN 45 HA ASN 45 0.601 1.468 -7.495 401 HB2 ASN 45 HB3 ASN 45 1.594 2.496 -4.870 402 HB3 ASN 45 HB2 ASN 45 -0.160 2.517 -5.175 403 HD21 ASN 45 HD22 ASN 45 2.157 0.831 -3.744 404 HD22 ASN 45 HD21 ASN 45 1.523 -0.783 -3.872 405 H TYR 46 H TYR 46 1.981 4.323 -8.216 406 HA TYR 46 HA TYR 46 -0.647 5.648 -8.236 407 HB2 TYR 46 HB3 TYR 46 0.944 6.434 -6.370 408 HB3 TYR 46 HB2 TYR 46 1.879 7.196 -7.680 409 HD1 TYR 46 HD2 TYR 46 -1.650 7.009 -6.403 410 HD2 TYR 46 HD1 TYR 46 1.388 9.400 -8.233 411 HE1 TYR 46 HE2 TYR 46 -3.143 8.967 -6.320 412 HE2 TYR 46 HE1 TYR 46 -0.102 11.363 -8.147 413 HH TYR 46 HH TYR 46 -3.166 11.267 -6.449 414 H ILE 47 H ILE 47 2.692 5.917 -9.503 415 HA ILE 47 HA ILE 47 1.528 7.086 -11.938 416 HB ILE 47 HB ILE 47 4.100 7.553 -12.393 417 HG12 ILE 47 HG12 ILE 47 3.897 7.392 -9.374 418 HG13 ILE 47 HG13 ILE 47 4.956 6.432 -10.436 419 HG21 ILE 47 HG21 ILE 47 3.765 9.788 -11.407 420 HG22 ILE 47 HG22 ILE 47 2.351 9.175 -10.518 421 HG23 ILE 47 HG23 ILE 47 2.329 9.229 -12.297 422 HD11 ILE 47 HD11 ILE 47 6.182 8.465 -11.052 423 HD12 ILE 47 HD12 ILE 47 6.204 8.195 -9.293 424 HD13 ILE 47 HD13 ILE 47 5.124 9.425 -9.991 425 H ASN 48 H ASN 48 2.933 4.214 -10.812 426 HA ASN 48 HA ASN 48 3.965 3.400 -13.379 427 HB2 ASN 48 HB3 ASN 48 5.113 2.607 -11.432 428 HB3 ASN 48 HB2 ASN 48 3.630 1.839 -10.815 429 HD21 ASN 48 HD22 ASN 48 3.030 -0.124 -11.587 430 HD22 ASN 48 HD21 ASN 48 3.975 -1.062 -12.688 431 HA PRO 49 HA PRO 49 0.162 0.694 -13.725 432 HB2 PRO 49 HB3 PRO 49 -1.532 0.210 -11.676 433 HB3 PRO 49 HB2 PRO 49 0.098 -0.506 -11.674 434 HG2 PRO 49 HG3 PRO 49 -0.962 1.844 -10.153 435 HG3 PRO 49 HG2 PRO 49 0.215 0.604 -9.654 436 HD2 PRO 49 HD3 PRO 49 0.808 3.198 -10.633 437 HD3 PRO 49 HD2 PRO 49 1.962 1.862 -10.406 438 H ALA 50 H ALA 50 -2.468 0.763 -13.485 439 HA ALA 50 HA ALA 50 -3.305 3.597 -13.534 440 HB1 ALA 50 HB1 ALA 50 -4.749 3.101 -15.469 441 HB2 ALA 50 HB2 ALA 50 -4.093 1.448 -15.528 442 HB3 ALA 50 HB3 ALA 50 -3.028 2.840 -15.841 443 H LEU 51 H LEU 51 -3.801 2.750 -11.270 444 HA LEU 51 HA LEU 51 -6.080 1.029 -10.966 445 HB2 LEU 51 HB3 LEU 51 -5.959 1.624 -8.592 446 HB3 LEU 51 HB2 LEU 51 -4.401 1.065 -9.247 447 HG LEU 51 HG LEU 51 -4.991 4.001 -8.957 448 HD11 LEU 51 HD11 LEU 51 -3.939 3.938 -6.731 449 HD12 LEU 51 HD12 LEU 51 -3.903 2.160 -6.804 450 HD13 LEU 51 HD13 LEU 51 -5.462 3.018 -6.771 451 HD21 LEU 51 HD21 LEU 51 -2.437 2.364 -8.900 452 HD22 LEU 51 HD22 LEU 51 -2.543 4.133 -8.737 453 HD23 LEU 51 HD23 LEU 51 -3.029 3.349 -10.259 454 H ARG 52 H ARG 52 -7.444 2.230 -12.454 455 HA ARG 52 HA ARG 52 -8.965 4.307 -11.028 456 HB2 ARG 52 HB3 ARG 52 -7.942 4.516 -13.874 457 HB3 ARG 52 HB2 ARG 52 -9.221 5.554 -13.198 458 HG2 ARG 52 HG3 ARG 52 -7.693 6.490 -11.592 459 HG3 ARG 52 HG2 ARG 52 -6.417 5.346 -12.074 460 HD2 ARG 52 HD3 ARG 52 -5.874 7.370 -13.149 461 HD3 ARG 52 HD2 ARG 52 -6.610 6.350 -14.409 462 HE ARG 52 HE ARG 52 -8.414 8.170 -13.035 463 HH11 ARG 52 HH11 ARG 52 -6.371 7.575 -15.809 464 HH12 ARG 52 HH12 ARG 52 -7.093 8.824 -16.772 465 HH21 ARG 52 HH22 ARG 52 -9.375 9.819 -14.297 466 HH22 ARG 52 HH21 ARG 52 -8.794 10.116 -15.903 467 H THR 53 H THR 53 -10.608 4.805 -13.314 468 HA THR 53 HA THR 53 -12.800 4.207 -13.721 469 HB THR 53 HB THR 53 -12.761 2.149 -15.343 470 HG1 THR 53 HG1 THR 53 -10.453 1.779 -14.408 471 HG21 THR 53 HG21 THR 53 -12.968 4.516 -16.011 472 HG22 THR 53 HG22 THR 53 -11.893 3.629 -17.118 473 HG23 THR 53 HG23 THR 53 -11.203 4.708 -15.882 474 H ASP 54 H ASP 54 -12.812 3.564 -11.249 475 HA ASP 54 HA ASP 54 -13.905 2.341 -9.672 476 HB2 ASP 54 HB3 ASP 54 -15.166 1.607 -12.163 477 HB3 ASP 54 HB2 ASP 54 -15.141 0.222 -11.045 478 HA PRO 55 HA PRO 55 -11.392 -1.089 -8.558 479 HB2 PRO 55 HB3 PRO 55 -13.090 -2.712 -7.113 480 HB3 PRO 55 HB2 PRO 55 -12.483 -1.157 -6.495 481 HG2 PRO 55 HG3 PRO 55 -15.116 -1.789 -7.807 482 HG3 PRO 55 HG2 PRO 55 -14.786 -0.819 -6.352 483 HD2 PRO 55 HD3 PRO 55 -15.245 0.329 -8.761 484 HD3 PRO 55 HD2 PRO 55 -14.110 1.037 -7.587 485 H TRP 56 H TRP 56 -12.163 -3.804 -8.143 486 HA TRP 56 HA TRP 56 -12.179 -4.679 -10.907 487 HB2 TRP 56 HB3 TRP 56 -12.286 -6.937 -9.207 488 HB3 TRP 56 HB2 TRP 56 -10.917 -6.320 -10.164 489 HD1 TRP 56 HD1 TRP 56 -9.247 -4.530 -8.813 490 HE1 TRP 56 HE1 TRP 56 -8.566 -4.538 -6.335 491 HE3 TRP 56 HE3 TRP 56 -12.987 -7.488 -6.945 492 HZ2 TRP 56 HZ2 TRP 56 -9.455 -5.645 -3.911 493 HZ3 TRP 56 HZ3 TRP 56 -12.999 -7.990 -4.524 494 HH2 TRP 56 HH2 TRP 56 -11.258 -7.076 -3.031 495 H SER 57 H SER 57 -13.507 -6.640 -11.463 496 HA SER 57 HA SER 57 -16.303 -5.961 -10.924 497 HB2 SER 57 HB3 SER 57 -15.784 -8.230 -12.705 498 HB3 SER 57 HB2 SER 57 -16.674 -6.719 -13.010 499 HG SER 57 HG SER 57 -13.827 -7.014 -13.036 500 HA PRO 58 HA PRO 58 -17.411 -9.228 -8.190 501 HB2 PRO 58 HB3 PRO 58 -19.407 -10.126 -10.275 502 HB3 PRO 58 HB2 PRO 58 -19.663 -9.770 -8.550 503 HG2 PRO 58 HG3 PRO 58 -20.422 -8.028 -10.399 504 HG3 PRO 58 HG2 PRO 58 -19.656 -7.463 -8.895 505 HD2 PRO 58 HD3 PRO 58 -18.486 -7.704 -11.657 506 HD3 PRO 58 HD2 PRO 58 -18.226 -6.446 -10.425 507 H GLU 59 H GLU 59 -16.821 -10.088 -11.575 508 HA GLU 59 HA GLU 59 -16.665 -12.921 -11.185 509 HB2 GLU 59 HB3 GLU 59 -15.240 -11.297 -13.309 510 HB3 GLU 59 HB2 GLU 59 -15.706 -13.014 -13.372 511 HG2 GLU 59 HG3 GLU 59 -17.399 -12.218 -14.617 512 HG3 GLU 59 HG2 GLU 59 -18.128 -11.892 -13.025 513 H GLU 60 H GLU 60 -14.370 -10.246 -11.116 514 HA GLU 60 HA GLU 60 -12.066 -11.923 -10.699 515 HB2 GLU 60 HB3 GLU 60 -12.497 -8.937 -10.386 516 HB3 GLU 60 HB2 GLU 60 -10.931 -9.754 -10.163 517 HG2 GLU 60 HG3 GLU 60 -10.702 -10.227 -12.411 518 HG3 GLU 60 HG2 GLU 60 -12.452 -10.123 -12.720 519 H ASP 61 H ASP 61 -14.344 -10.126 -8.730 520 HA ASP 61 HA ASP 61 -13.018 -10.302 -6.247 521 HB2 ASP 61 HB3 ASP 61 -14.728 -8.843 -6.020 522 HB3 ASP 61 HB2 ASP 61 -15.756 -9.700 -7.194 523 H MET 62 H MET 62 -15.290 -12.486 -7.854 524 HA MET 62 HA MET 62 -15.423 -14.348 -5.682 525 HB2 MET 62 HB3 MET 62 -16.168 -14.546 -8.605 526 HB3 MET 62 HB2 MET 62 -16.363 -15.895 -7.460 527 HG2 MET 62 HG3 MET 62 -17.796 -14.395 -6.064 528 HG3 MET 62 HG2 MET 62 -17.713 -13.193 -7.374 529 HE1 MET 62 HE1 MET 62 -21.382 -14.629 -7.600 530 HE2 MET 62 HE2 MET 62 -20.390 -13.167 -7.386 531 HE3 MET 62 HE3 MET 62 -20.423 -14.414 -6.117 532 H LEU 63 H LEU 63 -13.481 -14.098 -8.628 533 HA LEU 63 HA LEU 63 -12.196 -16.634 -8.330 534 HB2 LEU 63 HB3 LEU 63 -12.291 -15.514 -10.480 535 HB3 LEU 63 HB2 LEU 63 -11.361 -14.141 -9.832 536 HG LEU 63 HG LEU 63 -9.415 -15.611 -9.550 537 HD11 LEU 63 HD11 LEU 63 -9.394 -17.842 -10.594 538 HD12 LEU 63 HD12 LEU 63 -11.134 -17.693 -10.936 539 HD13 LEU 63 HD13 LEU 63 -10.559 -17.750 -9.252 540 HD21 LEU 63 HD21 LEU 63 -10.599 -15.601 -12.344 541 HD22 LEU 63 HD22 LEU 63 -8.883 -15.851 -11.945 542 HD23 LEU 63 HD23 LEU 63 -9.662 -14.291 -11.589 543 H LEU 64 H LEU 64 -11.491 -13.346 -7.305 544 HA LEU 64 HA LEU 64 -8.879 -13.752 -6.334 545 HB2 LEU 64 HB3 LEU 64 -9.714 -11.530 -6.657 546 HB3 LEU 64 HB2 LEU 64 -11.031 -11.802 -5.491 547 HG LEU 64 HG LEU 64 -9.450 -11.860 -3.662 548 HD11 LEU 64 HD11 LEU 64 -7.068 -11.351 -4.008 549 HD12 LEU 64 HD12 LEU 64 -7.320 -11.386 -5.769 550 HD13 LEU 64 HD13 LEU 64 -7.543 -12.868 -4.808 551 HD21 LEU 64 HD21 LEU 64 -9.011 -9.477 -5.489 552 HD22 LEU 64 HD22 LEU 64 -8.681 -9.520 -3.741 553 HD23 LEU 64 HD23 LEU 64 -10.349 -9.692 -4.336 554 H ASP 65 H ASP 65 -12.043 -14.112 -4.769 555 HA ASP 65 HA ASP 65 -11.201 -14.609 -2.156 556 HB2 ASP 65 HB3 ASP 65 -13.544 -14.308 -2.730 557 HB3 ASP 65 HB2 ASP 65 -13.536 -15.821 -3.669 558 H GLN 66 H GLN 66 -11.441 -16.817 -4.909 559 HA GLN 66 HA GLN 66 -10.748 -19.176 -3.450 560 HB2 GLN 66 HB3 GLN 66 -11.940 -19.301 -5.569 561 HB3 GLN 66 HB2 GLN 66 -10.570 -18.535 -6.409 562 HG2 GLN 66 HG3 GLN 66 -9.219 -20.565 -5.476 563 HG3 GLN 66 HG2 GLN 66 -10.826 -21.312 -5.305 564 HE21 GLN 66 HE22 GLN 66 -12.031 -21.747 -7.151 565 HE22 GLN 66 HE21 GLN 66 -11.323 -21.805 -8.725 566 H LYS 67 H LYS 67 -8.889 -17.018 -5.614 567 HA LYS 67 HA LYS 67 -6.433 -18.418 -5.295 568 HB2 LYS 67 HB3 LYS 67 -6.929 -15.556 -6.150 569 HB3 LYS 67 HB2 LYS 67 -5.373 -16.414 -6.271 570 HG2 LYS 67 HG3 LYS 67 -7.940 -17.016 -7.756 571 HG3 LYS 67 HG2 LYS 67 -6.398 -16.434 -8.428 572 HD2 LYS 67 HD3 LYS 67 -5.323 -18.553 -7.693 573 HD3 LYS 67 HD2 LYS 67 -6.913 -19.134 -7.139 574 HE2 LYS 67 HE3 LYS 67 -7.661 -18.570 -9.583 575 HE3 LYS 67 HE2 LYS 67 -5.918 -18.657 -9.936 576 HZ1 LYS 67 HZ1 LYS 67 -5.926 -20.901 -8.943 577 HZ2 LYS 67 HZ2 LYS 67 -6.915 -20.787 -10.310 578 HZ3 LYS 67 HZ3 LYS 67 -7.609 -20.809 -8.765 579 H TYR 68 H TYR 68 -8.051 -16.088 -3.348 580 HA TYR 68 HA TYR 68 -5.720 -15.193 -1.888 581 HB2 TYR 68 HB3 TYR 68 -7.674 -13.748 -2.116 582 HB3 TYR 68 HB2 TYR 68 -8.695 -14.967 -1.315 583 HD1 TYR 68 HD1 TYR 68 -5.661 -12.846 -0.700 584 HD2 TYR 68 HD2 TYR 68 -9.080 -14.795 0.976 585 HE1 TYR 68 HE1 TYR 68 -5.178 -11.816 1.485 586 HE2 TYR 68 HE2 TYR 68 -8.597 -13.764 3.163 587 HH TYR 68 HH TYR 68 -6.721 -12.804 4.366 588 H ALA 69 H ALA 69 -8.099 -17.730 -1.659 589 HA ALA 69 HA ALA 69 -7.403 -18.452 1.053 590 HB1 ALA 69 HB1 ALA 69 -8.918 -20.358 0.675 591 HB2 ALA 69 HB2 ALA 69 -9.057 -19.900 -1.039 592 HB3 ALA 69 HB3 ALA 69 -9.674 -18.811 0.225 593 H GLU 70 H GLU 70 -6.292 -19.247 -2.145 594 HA GLU 70 HA GLU 70 -4.969 -21.682 -1.218 595 HB2 GLU 70 HB3 GLU 70 -5.113 -20.390 -3.956 596 HB3 GLU 70 HB2 GLU 70 -4.317 -21.939 -3.586 597 HG2 GLU 70 HG3 GLU 70 -7.261 -21.371 -3.181 598 HG3 GLU 70 HG2 GLU 70 -6.566 -22.175 -4.609 599 H TYR 71 H TYR 71 -4.126 -18.466 -2.520 600 HA TYR 71 HA TYR 71 -1.276 -19.040 -2.134 601 HB2 TYR 71 HB3 TYR 71 -2.877 -17.133 -3.700 602 HB3 TYR 71 HB2 TYR 71 -1.439 -16.416 -2.935 603 HD1 TYR 71 HD2 TYR 71 -2.623 -18.952 -5.366 604 HD2 TYR 71 HD1 TYR 71 0.776 -16.969 -3.685 605 HE1 TYR 71 HE2 TYR 71 -1.204 -19.849 -7.173 606 HE2 TYR 71 HE1 TYR 71 2.192 -17.856 -5.496 607 HH TYR 71 HH TYR 71 0.850 -19.436 -8.265 608 H GLY 72 H GLY 72 -3.841 -17.046 -0.795 609 HA2 GLY 72 HA3 GLY 72 -3.835 -16.401 1.510 610 HA3 GLY 72 HA2 GLY 72 -2.056 -16.401 1.460 611 HA PRO 73 HA PRO 73 -3.516 -12.024 0.881 612 HB2 PRO 73 HB3 PRO 73 -1.975 -10.894 2.844 613 HB3 PRO 73 HB2 PRO 73 -3.540 -11.665 3.200 614 HG2 PRO 73 HG3 PRO 73 -0.756 -12.768 3.493 615 HG3 PRO 73 HG2 PRO 73 -2.135 -12.871 4.615 616 HD2 PRO 73 HD3 PRO 73 -1.422 -14.908 2.932 617 HD3 PRO 73 HD2 PRO 73 -3.097 -14.634 3.469 618 H LYS 74 H LYS 74 -1.438 -13.560 -0.528 619 HA LYS 74 HA LYS 74 0.913 -11.833 -0.588 620 HB2 LYS 74 HB3 LYS 74 0.206 -14.295 -2.213 621 HB3 LYS 74 HB2 LYS 74 1.764 -13.436 -2.253 622 HG2 LYS 74 HG3 LYS 74 2.127 -13.985 0.111 623 HG3 LYS 74 HG2 LYS 74 0.568 -14.844 0.151 624 HD2 LYS 74 HD3 LYS 74 1.362 -16.439 -1.504 625 HD3 LYS 74 HD2 LYS 74 2.892 -15.544 -1.673 626 HE2 LYS 74 HE3 LYS 74 3.312 -17.426 -0.258 627 HE3 LYS 74 HE2 LYS 74 3.313 -15.971 0.768 628 HZ1 LYS 74 HZ1 LYS 74 1.535 -16.684 1.897 629 HZ2 LYS 74 HZ2 LYS 74 1.924 -18.212 1.286 630 HZ3 LYS 74 HZ3 LYS 74 0.740 -17.275 0.525 631 H TRP 75 H TRP 75 -0.844 -10.160 -1.163 632 HA TRP 75 HA TRP 75 -2.054 -9.903 -3.605 633 HB2 TRP 75 HB3 TRP 75 -0.753 -7.618 -2.126 634 HB3 TRP 75 HB2 TRP 75 -2.097 -7.530 -3.290 635 HD1 TRP 75 HD1 TRP 75 -1.449 -7.748 0.342 636 HE1 TRP 75 HE1 TRP 75 -3.591 -8.341 1.620 637 HE3 TRP 75 HE3 TRP 75 -4.374 -9.205 -3.601 638 HZ2 TRP 75 HZ2 TRP 75 -6.178 -9.290 1.069 639 HZ3 TRP 75 HZ3 TRP 75 -6.684 -9.956 -3.141 640 HH2 TRP 75 HH2 TRP 75 -7.573 -9.990 -0.840 641 H ASN 76 H ASN 76 1.371 -9.473 -2.974 642 HA ASN 76 HA ASN 76 2.142 -8.139 -5.323 643 HB2 ASN 76 HB3 ASN 76 3.505 -9.009 -3.206 644 HB3 ASN 76 HB2 ASN 76 3.832 -10.389 -4.282 645 HD21 ASN 76 HD22 ASN 76 5.540 -8.221 -3.159 646 HD22 ASN 76 HD21 ASN 76 6.338 -7.528 -4.533 647 H LYS 77 H LYS 77 1.451 -11.526 -4.690 648 HA LYS 77 HA LYS 77 2.146 -12.386 -7.378 649 HB2 LYS 77 HB3 LYS 77 1.342 -13.637 -4.837 650 HB3 LYS 77 HB2 LYS 77 0.639 -14.413 -6.277 651 HG2 LYS 77 HG3 LYS 77 2.684 -15.533 -5.670 652 HG3 LYS 77 HG2 LYS 77 2.916 -14.669 -7.209 653 HD2 LYS 77 HD3 LYS 77 4.114 -12.895 -6.105 654 HD3 LYS 77 HD2 LYS 77 3.738 -13.575 -4.504 655 HE2 LYS 77 HE3 LYS 77 6.047 -14.083 -5.208 656 HE3 LYS 77 HE2 LYS 77 5.070 -15.556 -5.001 657 HZ1 LYS 77 HZ1 LYS 77 6.408 -15.657 -6.998 658 HZ2 LYS 77 HZ2 LYS 77 5.706 -14.242 -7.598 659 HZ3 LYS 77 HZ3 LYS 77 4.768 -15.638 -7.400 660 H ILE 78 H ILE 78 -0.746 -11.607 -5.528 661 HA ILE 78 HA ILE 78 -2.686 -12.547 -7.342 662 HB ILE 78 HB ILE 78 -2.848 -10.261 -5.351 663 HG12 ILE 78 HG12 ILE 78 -2.345 -12.365 -4.284 664 HG13 ILE 78 HG13 ILE 78 -4.031 -11.903 -3.944 665 HG21 ILE 78 HG21 ILE 78 -5.292 -10.525 -5.507 666 HG22 ILE 78 HG22 ILE 78 -5.075 -11.708 -6.818 667 HG23 ILE 78 HG23 ILE 78 -4.577 -10.015 -7.055 668 HD11 ILE 78 HD11 ILE 78 -4.809 -13.498 -5.638 669 HD12 ILE 78 HD12 ILE 78 -3.836 -14.300 -4.382 670 HD13 ILE 78 HD13 ILE 78 -3.124 -13.960 -5.978 671 H SER 79 H SER 79 -1.153 -9.346 -7.051 672 HA SER 79 HA SER 79 -2.636 -8.059 -9.063 673 HB2 SER 79 HB3 SER 79 -0.461 -6.592 -9.169 674 HB3 SER 79 HB2 SER 79 -1.494 -6.576 -7.719 675 HG SER 79 HG SER 79 -0.040 -7.852 -6.662 676 H LYS 80 H LYS 80 -0.196 -10.438 -9.312 677 HA LYS 80 HA LYS 80 0.683 -9.684 -11.955 678 HB2 LYS 80 HB3 LYS 80 1.131 -12.153 -10.270 679 HB3 LYS 80 HB2 LYS 80 1.781 -11.955 -11.916 680 HG2 LYS 80 HG3 LYS 80 3.164 -10.154 -11.263 681 HG3 LYS 80 HG2 LYS 80 2.315 -9.965 -9.709 682 HD2 LYS 80 HD3 LYS 80 3.200 -12.056 -8.903 683 HD3 LYS 80 HD2 LYS 80 3.906 -12.422 -10.495 684 HE2 LYS 80 HE3 LYS 80 5.553 -11.576 -8.809 685 HE3 LYS 80 HE2 LYS 80 5.466 -10.605 -10.299 686 HZ1 LYS 80 HZ1 LYS 80 3.803 -9.815 -8.009 687 HZ2 LYS 80 HZ2 LYS 80 4.513 -8.861 -9.210 688 HZ3 LYS 80 HZ3 LYS 80 5.461 -9.477 -7.954 689 H PHE 81 H PHE 81 -1.905 -11.540 -10.603 690 HA PHE 81 HA PHE 81 -2.457 -12.957 -13.088 691 HB2 PHE 81 HB3 PHE 81 -4.136 -12.756 -10.571 692 HB3 PHE 81 HB2 PHE 81 -4.352 -13.905 -11.913 693 HD1 PHE 81 HD2 PHE 81 -1.850 -15.080 -12.437 694 HD2 PHE 81 HD1 PHE 81 -3.412 -13.803 -8.668 695 HE1 PHE 81 HE2 PHE 81 -0.386 -16.696 -11.288 696 HE2 PHE 81 HE1 PHE 81 -1.949 -15.418 -7.512 697 HZ PHE 81 HZ PHE 81 -0.431 -16.869 -8.819 698 H LEU 82 H LEU 82 -3.225 -9.964 -11.615 699 HA LEU 82 HA LEU 82 -5.407 -9.512 -13.566 700 HB2 LEU 82 HB3 LEU 82 -5.051 -8.484 -10.746 701 HB3 LEU 82 HB2 LEU 82 -6.113 -7.679 -11.925 702 HG LEU 82 HG LEU 82 -7.569 -8.939 -10.667 703 HD11 LEU 82 HD11 LEU 82 -8.363 -10.785 -12.086 704 HD12 LEU 82 HD12 LEU 82 -6.838 -10.726 -13.001 705 HD13 LEU 82 HD13 LEU 82 -7.949 -9.335 -13.031 706 HD21 LEU 82 HD21 LEU 82 -5.612 -11.249 -10.742 707 HD22 LEU 82 HD22 LEU 82 -7.218 -11.273 -9.976 708 HD23 LEU 82 HD23 LEU 82 -5.952 -10.187 -9.355 709 H LYS 83 H LYS 83 -4.206 -8.641 -15.166 710 HA LYS 83 HA LYS 83 -2.034 -6.841 -14.777 711 HB2 LYS 83 HB3 LYS 83 -2.493 -8.391 -16.755 712 HB3 LYS 83 HB2 LYS 83 -3.639 -7.149 -17.315 713 HG2 LYS 83 HG3 LYS 83 -1.835 -5.518 -17.451 714 HG3 LYS 83 HG2 LYS 83 -0.679 -6.725 -16.836 715 HD2 LYS 83 HD3 LYS 83 -1.181 -8.162 -18.793 716 HD3 LYS 83 HD2 LYS 83 -2.269 -6.900 -19.417 717 HE2 LYS 83 HE3 LYS 83 -0.399 -5.330 -19.547 718 HE3 LYS 83 HE2 LYS 83 0.697 -6.564 -18.879 719 HZ1 LYS 83 HZ1 LYS 83 0.237 -7.941 -20.827 720 HZ2 LYS 83 HZ2 LYS 83 0.893 -6.448 -21.269 721 HZ3 LYS 83 HZ3 LYS 83 -0.763 -6.735 -21.466 722 H ASN 84 H ASN 84 -2.979 -5.273 -13.381 723 HA ASN 84 HA ASN 84 -3.500 -2.805 -14.453 724 HB2 ASN 84 HB3 ASN 84 -5.588 -3.727 -15.401 725 HB3 ASN 84 HB2 ASN 84 -6.149 -4.115 -13.756 726 HD21 ASN 84 HD22 ASN 84 -4.369 -1.210 -14.649 727 HD22 ASN 84 HD21 ASN 84 -5.663 -0.104 -14.335 728 H ARG 85 H ARG 85 -4.817 -4.851 -11.858 729 HA ARG 85 HA ARG 85 -4.755 -2.621 -9.994 730 HB2 ARG 85 HB3 ARG 85 -5.419 -5.499 -9.380 731 HB3 ARG 85 HB2 ARG 85 -5.865 -4.042 -8.460 732 HG2 ARG 85 HG3 ARG 85 -6.887 -4.814 -11.207 733 HG3 ARG 85 HG2 ARG 85 -7.781 -4.934 -9.672 734 HD2 ARG 85 HD3 ARG 85 -7.780 -2.551 -9.402 735 HD3 ARG 85 HD2 ARG 85 -6.669 -2.342 -10.777 736 HE ARG 85 HE ARG 85 -8.800 -3.587 -11.893 737 HH11 ARG 85 HH11 ARG 85 -8.500 -0.745 -9.874 738 HH12 ARG 85 HH12 ARG 85 -9.876 0.052 -10.574 739 HH21 ARG 85 HH22 ARG 85 -10.602 -2.522 -12.821 740 HH22 ARG 85 HH21 ARG 85 -11.074 -0.962 -12.220 741 H SER 86 H SER 86 -3.376 -2.331 -8.331 742 HA SER 86 HA SER 86 -1.041 -4.122 -8.217 743 HB2 SER 86 HB3 SER 86 0.017 -2.030 -7.114 744 HB3 SER 86 HB2 SER 86 -0.258 -2.033 -8.873 745 HG SER 86 HG SER 86 -1.173 -0.307 -7.086 746 H ASP 87 H ASP 87 0.138 -3.802 -5.976 747 HA ASP 87 HA ASP 87 -1.294 -5.236 -4.096 748 HB2 ASP 87 HB3 ASP 87 0.545 -4.498 -2.474 749 HB3 ASP 87 HB2 ASP 87 0.980 -5.451 -3.913 750 H ASN 88 H ASN 88 -0.236 -1.876 -3.354 751 HA ASN 88 HA ASN 88 -1.890 -1.588 -1.121 752 HB2 ASN 88 HB3 ASN 88 0.030 -0.053 -2.073 753 HB3 ASN 88 HB2 ASN 88 -1.336 0.832 -2.792 754 HD21 ASN 88 HD22 ASN 88 -2.732 1.986 -1.441 755 HD22 ASN 88 HD21 ASN 88 -2.369 2.308 0.224 756 H ASN 89 H ASN 89 -2.740 -1.404 -4.470 757 HA ASN 89 HA ASN 89 -5.212 0.022 -4.040 758 HB2 ASN 89 HB3 ASN 89 -4.254 0.273 -6.199 759 HB3 ASN 89 HB2 ASN 89 -4.115 -1.488 -6.421 760 HD21 ASN 89 HD22 ASN 89 -6.320 1.236 -6.350 761 HD22 ASN 89 HD21 ASN 89 -7.635 0.445 -7.145 762 H ILE 90 H ILE 90 -4.409 -3.387 -4.794 763 HA ILE 90 HA ILE 90 -7.105 -4.278 -4.583 764 HB ILE 90 HB ILE 90 -4.592 -5.958 -4.268 765 HG12 ILE 90 HG12 ILE 90 -6.266 -5.449 -6.745 766 HG13 ILE 90 HG13 ILE 90 -4.709 -4.659 -6.399 767 HG21 ILE 90 HG21 ILE 90 -6.070 -7.813 -4.953 768 HG22 ILE 90 HG22 ILE 90 -7.455 -6.696 -4.976 769 HG23 ILE 90 HG23 ILE 90 -6.626 -7.055 -3.442 770 HD11 ILE 90 HD11 ILE 90 -3.595 -6.847 -6.416 771 HD12 ILE 90 HD12 ILE 90 -4.432 -6.529 -7.953 772 HD13 ILE 90 HD13 ILE 90 -5.152 -7.637 -6.761 773 H ARG 91 H ARG 91 -4.389 -4.305 -2.268 774 HA ARG 91 HA ARG 91 -5.745 -5.707 -0.245 775 HB2 ARG 91 HB3 ARG 91 -3.864 -5.538 0.891 776 HB3 ARG 91 HB2 ARG 91 -3.208 -4.698 -0.535 777 HG2 ARG 91 HG3 ARG 91 -2.579 -3.273 1.134 778 HG3 ARG 91 HG2 ARG 91 -4.146 -2.565 0.673 779 HD2 ARG 91 HD3 ARG 91 -3.630 -2.890 3.184 780 HD3 ARG 91 HD2 ARG 91 -5.224 -3.395 2.570 781 HE ARG 91 HE ARG 91 -3.411 -5.572 2.495 782 HH11 ARG 91 HH11 ARG 91 -5.188 -3.609 4.781 783 HH12 ARG 91 HH12 ARG 91 -5.361 -4.886 5.943 784 HH21 ARG 91 HH22 ARG 91 -3.682 -7.287 4.015 785 HH22 ARG 91 HH21 ARG 91 -4.533 -6.970 5.496 786 H ASN 92 H ASN 92 -5.709 -2.267 -1.006 787 HA ASN 92 HA ASN 92 -7.218 -1.443 1.287 788 HB2 ASN 92 HB3 ASN 92 -6.041 -0.245 -1.069 789 HB3 ASN 92 HB2 ASN 92 -7.718 0.322 -0.881 790 HD21 ASN 92 HD22 ASN 92 -8.118 1.879 0.550 791 HD22 ASN 92 HD21 ASN 92 -6.979 2.519 1.682 792 H ARG 93 H ARG 93 -7.999 -2.179 -2.084 793 HA ARG 93 HA ARG 93 -10.765 -1.687 -1.933 794 HB2 ARG 93 HB3 ARG 93 -8.979 -2.322 -3.921 795 HB3 ARG 93 HB2 ARG 93 -10.007 -3.773 -3.837 796 HG2 ARG 93 HG3 ARG 93 -10.824 -2.132 -5.479 797 HG3 ARG 93 HG2 ARG 93 -11.995 -2.421 -4.170 798 HD2 ARG 93 HD3 ARG 93 -11.635 0.006 -4.858 799 HD3 ARG 93 HD2 ARG 93 -11.490 -0.358 -3.122 800 HE ARG 93 HE ARG 93 -8.963 -0.521 -4.413 801 HH11 ARG 93 HH11 ARG 93 -11.316 1.791 -3.250 802 HH12 ARG 93 HH12 ARG 93 -10.132 3.029 -2.957 803 HH21 ARG 93 HH22 ARG 93 -7.413 1.104 -4.004 804 HH22 ARG 93 HH21 ARG 93 -7.929 2.644 -3.381 805 H TRP 94 H TRP 94 -8.953 -4.721 -1.457 806 HA TRP 94 HA TRP 94 -11.177 -6.435 -1.288 807 HB2 TRP 94 HB3 TRP 94 -8.915 -7.297 -1.489 808 HB3 TRP 94 HB2 TRP 94 -8.492 -6.632 0.107 809 HD1 TRP 94 HD1 TRP 94 -8.621 -8.327 2.038 810 HE1 TRP 94 HE1 TRP 94 -9.803 -10.571 2.447 811 HE3 TRP 94 HE3 TRP 94 -11.337 -8.625 -2.302 812 HZ2 TRP 94 HZ2 TRP 94 -11.632 -12.257 1.134 813 HZ3 TRP 94 HZ3 TRP 94 -12.791 -10.599 -2.653 814 HH2 TRP 94 HH2 TRP 94 -12.933 -12.383 -0.956 815 H MET 95 H MET 95 -9.500 -4.587 1.224 816 HA MET 95 HA MET 95 -11.058 -5.486 3.413 817 HB2 MET 95 HB3 MET 95 -8.865 -4.334 3.578 818 HB3 MET 95 HB2 MET 95 -9.643 -2.829 3.030 819 HG2 MET 95 HG3 MET 95 -10.964 -2.707 5.017 820 HG3 MET 95 HG2 MET 95 -10.431 -4.325 5.533 821 HE1 MET 95 HE1 MET 95 -8.784 -1.743 8.085 822 HE2 MET 95 HE2 MET 95 -9.918 -3.104 7.920 823 HE3 MET 95 HE3 MET 95 -10.331 -1.514 7.236 824 H MET 96 H MET 96 -11.433 -2.876 1.089 825 HA MET 96 HA MET 96 -13.662 -1.629 2.372 826 HB2 MET 96 HB3 MET 96 -12.453 -0.219 0.979 827 HB3 MET 96 HB2 MET 96 -12.362 -1.422 -0.330 828 HG2 MET 96 HG3 MET 96 -15.084 -0.516 0.337 829 HG3 MET 96 HG2 MET 96 -14.004 0.746 -0.303 830 HE1 MET 96 HE1 MET 96 -16.138 -0.211 -3.447 831 HE2 MET 96 HE2 MET 96 -15.578 1.108 -2.391 832 HE3 MET 96 HE3 MET 96 -16.689 -0.129 -1.757 833 H ILE 97 H ILE 97 -13.407 -3.794 -0.460 834 HA ILE 97 HA ILE 97 -16.213 -3.897 -0.883 835 HB ILE 97 HB ILE 97 -14.390 -4.405 -2.596 836 HG12 ILE 97 HG12 ILE 97 -15.848 -6.059 -3.775 837 HG13 ILE 97 HG13 ILE 97 -16.818 -6.181 -2.287 838 HG21 ILE 97 HG21 ILE 97 -13.770 -6.771 -2.856 839 HG22 ILE 97 HG22 ILE 97 -14.566 -7.145 -1.309 840 HG23 ILE 97 HG23 ILE 97 -13.140 -6.081 -1.341 841 HD11 ILE 97 HD11 ILE 97 -17.345 -3.789 -2.436 842 HD12 ILE 97 HD12 ILE 97 -17.851 -4.662 -3.902 843 HD13 ILE 97 HD13 ILE 97 -16.376 -3.668 -3.923 844 H ALA 98 H ALA 98 -14.042 -5.835 1.073 845 HA ALA 98 HA ALA 98 -15.764 -8.027 1.523 846 HB1 ALA 98 HB1 ALA 98 -14.408 -8.450 3.534 847 HB2 ALA 98 HB2 ALA 98 -13.653 -6.848 3.357 848 HB3 ALA 98 HB3 ALA 98 -13.393 -8.096 2.115 849 H ARG 99 H ARG 99 -15.560 -4.846 2.960 850 HA ARG 99 HA ARG 99 -17.293 -5.321 5.173 851 HB2 ARG 99 HB3 ARG 99 -15.656 -3.413 4.890 852 HB3 ARG 99 HB2 ARG 99 -16.818 -2.690 3.751 853 HG2 ARG 99 HG3 ARG 99 -18.417 -2.335 5.444 854 HG3 ARG 99 HG2 ARG 99 -17.572 -3.412 6.582 855 HD2 ARG 99 HD3 ARG 99 -17.209 -1.067 7.173 856 HD3 ARG 99 HD2 ARG 99 -15.685 -1.838 6.670 857 HE ARG 99 HE ARG 99 -16.058 -0.718 4.468 858 HH11 ARG 99 HH11 ARG 99 -17.461 0.567 7.401 859 HH12 ARG 99 HH12 ARG 99 -17.598 2.185 6.786 860 HH21 ARG 99 HH22 ARG 99 -16.221 1.416 3.644 861 HH22 ARG 99 HH21 ARG 99 -16.888 2.667 4.647 862 H HIS 100 H HIS 100 -17.808 -4.584 1.800 863 HA HIS 100 HA HIS 100 -20.614 -3.906 2.187 864 HB2 HIS 100 HB3 HIS 100 -19.287 -2.811 0.413 865 HB3 HIS 100 HB2 HIS 100 -19.056 -4.392 -0.373 866 HD1 HIS 100 HD1 HIS 100 -20.796 -5.045 -2.050 867 HD2 HIS 100 HD2 HIS 100 -22.116 -1.999 0.468 868 HE1 HIS 100 HE1 HIS 100 -23.035 -4.340 -2.968 869 HE2 HIS 100 HE2 HIS 100 -23.875 -2.607 -1.332 870 H ARG 101 H ARG 101 -18.672 -6.651 1.135 871 HA ARG 101 HA ARG 101 -20.920 -8.220 0.275 872 HB2 ARG 101 HB3 ARG 101 -18.556 -8.470 -0.550 873 HB3 ARG 101 HB2 ARG 101 -18.162 -9.212 1.020 874 HG2 ARG 101 HG3 ARG 101 -18.505 -11.045 -0.350 875 HG3 ARG 101 HG2 ARG 101 -20.079 -10.859 0.462 876 HD2 ARG 101 HD3 ARG 101 -19.416 -9.758 -2.285 877 HD3 ARG 101 HD2 ARG 101 -20.248 -11.303 -1.988 878 HE ARG 101 HE ARG 101 -21.340 -8.623 -1.688 879 HH11 ARG 101 HH11 ARG 101 -21.727 -12.048 -1.114 880 HH12 ARG 101 HH12 ARG 101 -23.437 -11.949 -0.844 881 HH21 ARG 101 HH22 ARG 101 -23.602 -8.478 -1.356 882 HH22 ARG 101 HH21 ARG 101 -24.506 -9.912 -0.975 883 H ALA 102 H ALA 102 -19.238 -7.724 3.282 884 HA ALA 102 HA ALA 102 -20.310 -10.044 4.600 885 HB1 ALA 102 HB1 ALA 102 -19.363 -9.050 6.645 886 HB2 ALA 102 HB2 ALA 102 -18.984 -7.568 5.736 887 HB3 ALA 102 HB3 ALA 102 -18.187 -9.101 5.310 888 H LYS 103 H LYS 103 -21.863 -7.393 3.538 889 HA LYS 103 HA LYS 103 -23.800 -6.315 4.006 890 HB2 LYS 103 HB3 LYS 103 -24.213 -9.026 5.210 891 HB3 LYS 103 HB2 LYS 103 -25.459 -7.766 5.387 892 HG2 LYS 103 HG3 LYS 103 -24.331 -8.722 2.743 893 HG3 LYS 103 HG2 LYS 103 -25.851 -9.295 3.471 894 HD2 LYS 103 HD3 LYS 103 -26.766 -7.034 3.408 895 HD3 LYS 103 HD2 LYS 103 -25.229 -6.408 2.764 896 HE2 LYS 103 HE3 LYS 103 -26.880 -6.683 0.981 897 HE3 LYS 103 HE2 LYS 103 -25.504 -7.790 0.755 898 HZ1 LYS 103 HZ1 LYS 103 -28.105 -8.558 1.985 899 HZ2 LYS 103 HZ2 LYS 103 -26.815 -9.587 1.614 900 HZ3 LYS 103 HZ3 LYS 103 -27.681 -8.842 0.371 901 H HIS 104 H HIS 104 -25.491 -6.540 6.302 902 HA HIS 104 HA HIS 104 -24.017 -5.773 8.644 903 HB2 HIS 104 HB3 HIS 104 -25.183 -3.453 8.688 904 HB3 HIS 104 HB2 HIS 104 -23.669 -3.663 7.776 905 HD1 HIS 104 HD1 HIS 104 -27.410 -3.861 6.971 906 HD2 HIS 104 HD2 HIS 104 -23.820 -2.518 5.337 907 HE1 HIS 104 HE1 HIS 104 -28.029 -2.814 4.765 908 HE2 HIS 104 HE2 HIS 104 -25.869 -1.843 3.895 909 H GLN 105 H GLN 105 -25.190 -7.045 9.936 910 HA GLN 105 HA GLN 105 -27.991 -7.461 9.705 911 HB2 GLN 105 HB3 GLN 105 -26.094 -7.953 12.016 912 HB3 GLN 105 HB2 GLN 105 -27.799 -8.464 11.987 913 HG2 GLN 105 HG3 GLN 105 -27.247 -9.744 9.877 914 HG3 GLN 105 HG2 GLN 105 -25.534 -9.410 10.231 915 HE21 GLN 105 HE22 GLN 105 -25.890 -9.622 13.113 916 HE22 GLN 105 HE21 GLN 105 -26.070 -11.310 13.453 917 H LYS 106 H LYS 106 -29.690 -6.715 11.017 918 HA LYS 106 HA LYS 106 -29.214 -4.485 12.812 919 HB2 LYS 106 HB3 LYS 106 -29.283 -3.311 10.703 920 HB3 LYS 106 HB2 LYS 106 -30.768 -4.170 10.227 921 HG2 LYS 106 HG3 LYS 106 -32.089 -2.966 11.746 922 HG3 LYS 106 HG2 LYS 106 -30.674 -2.402 12.668 923 HD2 LYS 106 HD3 LYS 106 -31.128 -1.634 9.778 924 HD3 LYS 106 HD2 LYS 106 -31.825 -0.707 11.128 925 HE2 LYS 106 HE3 LYS 106 -28.871 -1.323 10.844 926 HE3 LYS 106 HE2 LYS 106 -29.635 0.173 10.255 927 HZ1 LYS 106 HZ1 LYS 106 -28.552 0.094 12.598 928 HZ2 LYS 106 HZ2 LYS 106 -30.007 -0.628 13.066 929 HZ3 LYS 106 HZ3 LYS 106 -30.013 0.914 12.379 930 H SER 107 H SER 107 -31.820 -6.066 10.940 931 HA SER 107 HA SER 107 -33.072 -7.024 13.371 932 HB2 SER 107 HB3 SER 107 -33.846 -4.621 13.109 933 HB3 SER 107 HB2 SER 107 -34.635 -5.123 11.595 934 HG SER 107 HG SER 107 -35.246 -5.811 14.258 935 H5' DA 1 H5' DA 1 -21.521 18.802 11.557 936 H5'' DA 1 H5'' DA 1 -21.384 18.493 13.298 937 H4' DA 1 H4' DA 1 -22.378 16.574 12.489 938 H3' DA 1 H3' DA 1 -20.043 16.153 13.689 939 H2' DA 1 H2' DA 1 -18.549 16.235 11.852 940 H2'' DA 1 H2'' DA 1 -18.949 14.528 11.762 941 H1' DA 1 H1' DA 1 -20.380 14.773 9.959 942 H8 DA 1 H8 DA 1 -18.126 17.811 10.619 943 H61 DA 1 H61 DA 1 -16.932 18.755 6.015 944 H62 DA 1 H62 DA 1 -17.453 18.114 4.476 945 H2 DA 1 H2 DA 1 -20.512 14.949 5.391 946 HO5' DA 1 HO5' DA 1 -19.470 19.140 11.641 947 H5' DA 2 H5' DA 2 -21.967 13.426 10.265 948 H5'' DA 2 H5'' DA 2 -22.526 12.323 11.539 949 H4' DA 2 H4' DA 2 -22.670 11.031 9.645 950 H3' DA 2 H3' DA 2 -20.972 10.031 11.432 951 H2' DA 2 H2' DA 2 -18.919 10.966 10.689 952 H2'' DA 2 H2'' DA 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-0.289 1000 H61 DA 6 H61 DA 6 -7.797 3.804 4.341 1001 H62 DA 6 H62 DA 6 -7.310 4.526 5.861 1002 H2 DA 6 H2 DA 6 -4.388 7.785 4.874 1003 H5' DA 7 H5' DA 7 -2.652 8.575 0.043 1004 H5'' DA 7 H5'' DA 7 -1.595 9.297 -1.184 1005 H4' DA 7 H4' DA 7 -0.433 9.751 0.724 1006 H3' DA 7 H3' DA 7 0.862 8.040 -0.872 1007 H2' DA 7 H2' DA 7 0.348 5.950 0.074 1008 H2'' DA 7 H2'' DA 7 1.655 6.349 1.178 1009 H1' DA 7 H1' DA 7 0.267 6.866 2.925 1010 H8 DA 7 H8 DA 7 -1.519 5.124 0.006 1011 H61 DA 7 H61 DA 7 -4.304 2.139 2.655 1012 H62 DA 7 H62 DA 7 -4.601 1.991 4.373 1013 H2 DA 7 H2 DA 7 -2.160 5.166 6.394 1014 H5' DC 8 H5' DC 8 1.562 8.569 3.798 1015 H5'' DC 8 H5'' DC 8 2.927 9.620 3.368 1016 H4' DC 8 H4' DC 8 3.265 9.091 5.606 1017 H3' DC 8 H3' DC 8 5.259 8.383 3.960 1018 H2' DC 8 H2' DC 8 4.835 6.097 3.582 1019 H2'' DC 8 H2'' DC 8 5.627 5.889 5.135 1020 H1' DC 8 H1' DC 8 3.696 5.494 6.289 1021 H41 DC 8 H41 DC 8 0.492 2.153 1.515 1022 H42 DC 8 H42 DC 8 -0.137 1.591 3.045 1023 H5 DC 8 H5 DC 8 2.134 3.954 1.372 1024 H6 DC 8 H6 DC 8 3.447 5.566 2.630 1025 H5' DG 9 H5' DG 9 4.512 6.967 8.739 1026 H5'' DG 9 H5'' DG 9 5.995 7.873 9.092 1027 H4' DG 9 H4' DG 9 5.662 6.376 10.879 1028 H3' DG 9 H3' DG 9 8.044 6.308 9.653 1029 H2' DG 9 H2' DG 9 7.815 4.510 8.157 1030 H2'' DG 9 H2'' DG 9 8.181 3.536 9.571 1031 H1' DG 9 H1' DG 9 6.021 2.828 9.863 1032 H8 DG 9 H8 DG 9 6.577 4.703 6.573 1033 H1 DG 9 H1 DG 9 2.639 -0.339 6.214 1034 H21 DG 9 H21 DG 9 2.919 -0.418 9.670 1035 H22 DG 9 H22 DG 9 2.212 -1.127 8.239 1036 H5' DA 10 H5' DA 10 5.976 3.054 11.737 1037 H5'' DA 10 H5'' DA 10 6.724 3.400 13.306 1038 H4' DA 10 H4' DA 10 5.736 1.391 13.725 1039 H3' DA 10 H3' DA 10 8.402 1.240 13.830 1040 H2' DA 10 H2' DA 10 8.938 0.447 11.664 1041 H2'' DA 10 H2'' DA 10 8.609 -1.114 12.400 1042 H1' DA 10 H1' DA 10 6.545 -1.349 11.417 1043 H8 DA 10 H8 DA 10 8.451 1.626 9.799 1044 H61 DA 10 H61 DA 10 7.639 0.311 5.190 1045 H62 DA 10 H62 DA 10 6.690 -0.960 4.452 1046 H2 DA 10 H2 DA 10 4.782 -3.244 7.810 1047 H5' DT 11 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H4' DT 26 H4' DT 26 -2.769 2.142 13.881 1224 H3' DT 26 H3' DT 26 -5.415 2.151 14.206 1225 H2' DT 26 H2' DT 26 -6.166 2.418 11.967 1226 H2'' DT 26 H2'' DT 26 -5.950 4.117 12.358 1227 H1' DT 26 H1' DT 26 -3.952 4.316 11.201 1228 H3 DT 26 H3 DT 26 -3.758 3.316 6.855 1229 H71 DT 26 H71 DT 26 -7.311 0.319 7.482 1230 H72 DT 26 H72 DT 26 -7.187 -0.117 9.202 1231 H73 DT 26 H73 DT 26 -6.061 -0.827 8.020 1232 H6 DT 26 H6 DT 26 -5.859 1.221 10.591 1233 H5' DT 27 H5' DT 27 -3.091 5.696 12.527 1234 H5'' DT 27 H5'' DT 27 -2.963 6.361 14.167 1235 H4' DT 27 H4' DT 27 -2.307 8.165 12.971 1236 H3' DT 27 H3' DT 27 -4.680 8.618 14.093 1237 H2' DT 27 H2' DT 27 -6.157 8.021 12.344 1238 H2'' DT 27 H2'' DT 27 -5.898 9.692 11.880 1239 H1' DT 27 H1' DT 27 -4.427 9.172 10.157 1240 H3 DT 27 H3 DT 27 -5.737 6.450 6.873 1241 H71 DT 27 H71 DT 27 -7.815 4.603 11.513 1242 H72 DT 27 H72 DT 27 -7.385 3.426 10.248 1243 H73 DT 27 H73 DT 27 -8.760 4.532 10.007 1244 H6 DT 27 H6 DT 27 -6.270 6.333 11.614 1245 H5' DA 28 H5' DA 28 -3.193 10.650 10.093 1246 H5'' DA 28 H5'' DA 28 -2.550 11.883 11.192 1247 H4' DA 28 H4' DA 28 -2.479 13.003 9.210 1248 H3' DA 28 H3' DA 28 -4.240 14.097 10.872 1249 H2' DA 28 H2' DA 28 -6.252 13.034 10.239 1250 H2'' DA 28 H2'' DA 28 -6.299 14.337 9.061 1251 H1' DA 28 H1' DA 28 -5.662 12.997 7.293 1252 H8 DA 28 H8 DA 28 -6.585 10.973 10.435 1253 H61 DA 28 H61 DA 28 -9.316 7.637 8.234 1254 H62 DA 28 H62 DA 28 -9.660 7.264 6.557 1255 H2 DA 28 H2 DA 28 -7.335 10.223 4.103 1256 H5' DT 29 H5' DT 29 -4.624 14.291 6.528 1257 H5'' DT 29 H5'' DT 29 -3.682 15.786 6.389 1258 H4' DT 29 H4' DT 29 -4.505 15.733 4.299 1259 H3' DT 29 H3' DT 29 -5.742 17.682 5.619 1260 H2' DT 29 H2' DT 29 -7.646 16.505 6.452 1261 H2'' DT 29 H2'' DT 29 -8.306 17.046 4.917 1262 H1' DT 29 H1' DT 29 -8.042 14.983 3.871 1263 H3 DT 29 H3 DT 29 -10.357 11.597 5.550 1264 H71 DT 29 H71 DT 29 -9.897 13.702 9.793 1265 H72 DT 29 H72 DT 29 -8.504 12.600 9.873 1266 H73 DT 29 H73 DT 29 -8.243 14.351 9.691 1267 H6 DT 29 H6 DT 29 -7.577 14.919 7.543 1268 H5' DC 30 H5' DC 30 -7.524 15.452 2.165 1269 H5'' DC 30 H5'' DC 30 -6.870 16.646 1.027 1270 H4' DC 30 H4' DC 30 -8.236 15.442 -0.342 1271 H3' DC 30 H3' DC 30 -9.105 17.937 -0.083 1272 H2' DC 30 H2' DC 30 -10.613 17.717 1.738 1273 H2'' DC 30 H2'' DC 30 -11.732 17.369 0.431 1274 H1' DC 30 H1' DC 30 -11.711 15.075 0.801 1275 H41 DC 30 H41 DC 30 -11.878 15.410 7.417 1276 H42 DC 30 H42 DC 30 -12.937 14.119 6.916 1277 H5 DC 30 H5 DC 30 -10.545 16.710 5.816 1278 H6 DC 30 H6 DC 30 -9.970 16.978 3.462 1279 H5' DT 31 H5' DT 31 -12.146 14.469 -0.879 1280 H5'' DT 31 H5'' DT 31 -11.803 14.766 -2.593 1281 H4' DT 31 H4' DT 31 -13.704 13.581 -2.833 1282 H3' DT 31 H3' DT 31 -14.198 16.105 -3.474 1283 H2' DT 31 H2' DT 31 -14.914 16.991 -1.388 1284 H2'' DT 31 H2'' DT 31 -16.471 16.439 -1.984 1285 H1' DT 31 H1' DT 31 -16.515 14.554 -0.630 1286 H3 DT 31 H3 DT 31 -16.128 14.872 3.796 1287 H71 DT 31 H71 DT 31 -12.907 18.597 1.572 1288 H72 DT 31 H72 DT 31 -13.848 18.969 3.035 1289 H73 DT 31 H73 DT 31 -12.438 17.889 3.135 1290 H6 DT 31 H6 DT 31 -13.913 17.039 0.170 1291 H5' DT 32 H5' DT 32 -17.491 13.419 -1.935 1292 H5'' DT 32 H5'' DT 32 -18.027 12.949 -3.560 1293 H4' DT 32 H4' DT 32 -19.830 12.265 -2.405 1294 H3' DT 32 H3' DT 32 -20.504 14.422 -3.811 1295 HO3' DT 32 HO3' DT 32 -21.756 12.489 -2.941 1296 H2' DT 32 H2' DT 32 -20.156 16.144 -2.199 1297 H2'' DT 32 H2'' DT 32 -21.826 15.744 -1.820 1298 H1' DT 32 H1' DT 32 -21.274 14.502 0.077 1299 H3 DT 32 H3 DT 32 -19.005 16.440 3.402 1300 H71 DT 32 H71 DT 32 -17.131 18.392 -1.272 1301 H72 DT 32 H72 DT 32 -15.960 18.149 0.046 1302 H73 DT 32 H73 DT 32 -17.210 19.405 0.189 1303 H6 DT 32 H6 DT 32 -18.593 16.583 -1.347 Start of MODEL 3 1 H1 LYS 1 H1 LYS 1 3.004 17.068 7.599 2 H2 LYS 1 H2 LYS 1 2.049 18.239 8.342 3 H3 LYS 1 H3 LYS 1 1.349 17.137 7.271 4 HA LYS 1 HA LYS 1 2.605 16.481 9.873 5 HB2 LYS 1 HB3 LYS 1 0.536 17.655 10.245 6 HB3 LYS 1 HB2 LYS 1 -0.312 16.616 9.073 7 HG2 LYS 1 HG3 LYS 1 0.043 14.678 10.532 8 HG3 LYS 1 HG2 LYS 1 0.900 15.711 11.701 9 HD2 LYS 1 HD3 LYS 1 -1.081 16.959 12.176 10 HD3 LYS 1 HD2 LYS 1 -1.953 16.215 10.814 11 HE2 LYS 1 HE3 LYS 1 -2.630 15.255 12.986 12 HE3 LYS 1 HE2 LYS 1 -1.882 14.041 11.920 13 HZ1 LYS 1 HZ1 LYS 1 -0.421 15.474 14.079 14 HZ2 LYS 1 HZ2 LYS 1 0.131 14.166 13.161 15 HZ3 LYS 1 HZ3 LYS 1 -1.128 13.950 14.265 16 H VAL 2 H VAL 2 0.600 15.237 7.171 17 HA VAL 2 HA VAL 2 1.283 12.507 7.967 18 HB VAL 2 HB VAL 2 -0.257 11.809 6.151 19 HG11 VAL 2 HG11 VAL 2 -2.328 12.589 7.237 20 HG12 VAL 2 HG12 VAL 2 -1.399 13.839 8.098 21 HG13 VAL 2 HG13 VAL 2 -1.092 12.117 8.426 22 HG21 VAL 2 HG21 VAL 2 -0.721 14.791 5.808 23 HG22 VAL 2 HG22 VAL 2 -1.672 13.497 5.042 24 HG23 VAL 2 HG23 VAL 2 0.047 13.702 4.629 25 H LYS 3 H LYS 3 2.950 14.732 6.456 26 HA LYS 3 HA LYS 3 4.675 14.798 5.006 27 HB2 LYS 3 HB3 LYS 3 4.496 11.788 5.213 28 HB3 LYS 3 HB2 LYS 3 5.814 12.680 4.414 29 HG2 LYS 3 HG3 LYS 3 6.698 13.428 6.396 30 HG3 LYS 3 HG2 LYS 3 5.136 13.357 7.247 31 HD2 LYS 3 HD3 LYS 3 5.262 10.866 7.156 32 HD3 LYS 3 HD2 LYS 3 6.889 11.014 6.448 33 HE2 LYS 3 HE3 LYS 3 7.756 12.028 8.418 34 HE3 LYS 3 HE2 LYS 3 6.127 12.274 9.093 35 HZ1 LYS 3 HZ1 LYS 3 7.150 10.430 10.179 36 HZ2 LYS 3 HZ2 LYS 3 7.531 9.678 8.713 37 HZ3 LYS 3 HZ3 LYS 3 5.915 9.825 9.196 38 H PHE 4 H PHE 4 5.448 14.004 2.799 39 HA PHE 4 HA PHE 4 5.175 13.882 0.575 40 HB2 PHE 4 HB3 PHE 4 3.566 11.836 1.517 41 HB3 PHE 4 HB2 PHE 4 2.529 12.721 0.373 42 HD1 PHE 4 HD2 PHE 4 4.177 13.557 -1.771 43 HD2 PHE 4 HD1 PHE 4 4.494 9.973 0.531 44 HE1 PHE 4 HE2 PHE 4 5.325 12.453 -3.651 45 HE2 PHE 4 HE1 PHE 4 5.646 8.866 -1.345 46 HZ PHE 4 HZ PHE 4 6.066 10.105 -3.442 47 H THR 5 H THR 5 3.615 14.404 -1.269 48 HA THR 5 HA THR 5 1.456 16.136 -1.032 49 HB THR 5 HB THR 5 3.217 17.612 0.097 50 HG1 THR 5 HG1 THR 5 1.315 18.442 -0.961 51 HG21 THR 5 HG21 THR 5 5.133 17.025 -1.325 52 HG22 THR 5 HG22 THR 5 4.812 18.775 -1.376 53 HG23 THR 5 HG23 THR 5 4.315 17.739 -2.734 54 H GLU 6 H GLU 6 1.092 17.269 -3.166 55 HA GLU 6 HA GLU 6 1.504 15.471 -5.297 56 HB2 GLU 6 HB3 GLU 6 0.636 18.366 -5.301 57 HB3 GLU 6 HB2 GLU 6 0.608 17.306 -6.731 58 HG2 GLU 6 HG3 GLU 6 -1.204 16.157 -6.018 59 HG3 GLU 6 HG2 GLU 6 -0.742 16.275 -4.302 60 H GLU 7 H GLU 7 3.283 18.366 -4.353 61 HA GLU 7 HA GLU 7 4.820 18.723 -6.666 62 HB2 GLU 7 HB3 GLU 7 5.391 19.295 -3.755 63 HB3 GLU 7 HB2 GLU 7 6.526 19.717 -5.060 64 HG2 GLU 7 HG3 GLU 7 4.763 21.101 -6.099 65 HG3 GLU 7 HG2 GLU 7 3.695 20.729 -4.723 66 H GLU 8 H GLU 8 5.418 16.691 -3.814 67 HA GLU 8 HA GLU 8 7.963 15.804 -4.720 68 HB2 GLU 8 HB3 GLU 8 6.177 15.149 -2.468 69 HB3 GLU 8 HB2 GLU 8 7.253 13.839 -3.010 70 HG2 GLU 8 HG3 GLU 8 8.427 14.976 -1.317 71 HG3 GLU 8 HG2 GLU 8 9.149 15.514 -2.853 72 H ASP 9 H ASP 9 4.700 14.716 -5.290 73 HA ASP 9 HA ASP 9 5.225 12.118 -6.263 74 HB2 ASP 9 HB3 ASP 9 3.078 14.176 -6.702 75 HB3 ASP 9 HB2 ASP 9 3.153 12.769 -7.791 76 H LEU 10 H LEU 10 5.100 15.273 -7.853 77 HA LEU 10 HA LEU 10 5.717 14.373 -10.473 78 HB2 LEU 10 HB3 LEU 10 6.306 17.080 -9.247 79 HB3 LEU 10 HB2 LEU 10 6.147 16.692 -10.977 80 HG LEU 10 HG LEU 10 3.896 16.483 -8.969 81 HD11 LEU 10 HD11 LEU 10 3.053 18.577 -9.956 82 HD12 LEU 10 HD12 LEU 10 4.536 18.709 -10.930 83 HD13 LEU 10 HD13 LEU 10 4.625 18.807 -9.155 84 HD21 LEU 10 HD21 LEU 10 3.936 16.447 -12.003 85 HD22 LEU 10 HD22 LEU 10 2.479 16.412 -10.982 86 HD23 LEU 10 HD23 LEU 10 3.631 15.057 -10.934 87 H LYS 11 H LYS 11 7.681 15.563 -7.781 88 HA LYS 11 HA LYS 11 10.184 15.572 -9.117 89 HB2 LYS 11 HB3 LYS 11 9.509 15.218 -6.183 90 HB3 LYS 11 HB2 LYS 11 11.151 15.466 -6.824 91 HG2 LYS 11 HG3 LYS 11 10.588 17.675 -7.578 92 HG3 LYS 11 HG2 LYS 11 8.875 17.431 -7.157 93 HD2 LYS 11 HD3 LYS 11 9.580 17.097 -4.776 94 HD3 LYS 11 HD2 LYS 11 11.236 17.541 -5.256 95 HE2 LYS 11 HE3 LYS 11 10.527 19.741 -5.913 96 HE3 LYS 11 HE2 LYS 11 8.815 19.311 -5.684 97 HZ1 LYS 11 HZ1 LYS 11 10.893 19.538 -3.566 98 HZ2 LYS 11 HZ2 LYS 11 9.318 18.964 -3.304 99 HZ3 LYS 11 HZ3 LYS 11 9.568 20.564 -3.809 100 H LEU 12 H LEU 12 8.453 13.110 -7.257 101 HA LEU 12 HA LEU 12 10.444 11.168 -7.064 102 HB2 LEU 12 HB3 LEU 12 8.133 11.176 -6.007 103 HB3 LEU 12 HB2 LEU 12 7.528 10.553 -7.562 104 HG LEU 12 HG LEU 12 8.988 8.580 -7.305 105 HD11 LEU 12 HD11 LEU 12 10.023 8.117 -5.117 106 HD12 LEU 12 HD12 LEU 12 9.556 9.740 -4.558 107 HD13 LEU 12 HD13 LEU 12 10.724 9.559 -5.888 108 HD21 LEU 12 HD21 LEU 12 7.106 9.104 -4.984 109 HD22 LEU 12 HD22 LEU 12 7.673 7.505 -5.522 110 HD23 LEU 12 HD23 LEU 12 6.653 8.495 -6.594 111 H GLN 13 H GLN 13 8.021 11.623 -9.637 112 HA GLN 13 HA GLN 13 8.789 9.508 -11.292 113 HB2 GLN 13 HB3 GLN 13 6.775 10.598 -11.810 114 HB3 GLN 13 HB2 GLN 13 7.552 12.199 -11.865 115 HG2 GLN 13 HG3 GLN 13 7.021 11.613 -14.091 116 HG3 GLN 13 HG2 GLN 13 8.782 11.422 -13.913 117 HE21 GLN 13 HE22 GLN 13 9.673 9.364 -13.963 118 HE22 GLN 13 HE21 GLN 13 8.803 7.994 -14.562 119 H GLN 14 H GLN 14 10.155 12.756 -11.006 120 HA GLN 14 HA GLN 14 11.947 12.460 -13.237 121 HB2 GLN 14 HB3 GLN 14 11.779 14.438 -10.961 122 HB3 GLN 14 HB2 GLN 14 13.068 14.488 -12.188 123 HG2 GLN 14 HG3 GLN 14 10.127 14.576 -12.871 124 HG3 GLN 14 HG2 GLN 14 11.102 16.032 -12.555 125 HE21 GLN 14 HE22 GLN 14 9.728 15.144 -14.990 126 HE22 GLN 14 HE21 GLN 14 10.940 15.083 -16.224 127 H LEU 15 H LEU 15 12.289 12.224 -9.706 128 HA LEU 15 HA LEU 15 15.078 11.719 -9.692 129 HB2 LEU 15 HB3 LEU 15 12.852 11.519 -7.751 130 HB3 LEU 15 HB2 LEU 15 14.283 10.511 -7.423 131 HG LEU 15 HG LEU 15 15.683 12.560 -7.502 132 HD11 LEU 15 HD11 LEU 15 14.588 14.760 -7.329 133 HD12 LEU 15 HD12 LEU 15 13.008 13.991 -7.608 134 HD13 LEU 15 HD13 LEU 15 14.246 13.971 -8.887 135 HD21 LEU 15 HD21 LEU 15 13.411 12.582 -5.494 136 HD22 LEU 15 HD22 LEU 15 14.969 13.421 -5.310 137 HD23 LEU 15 HD23 LEU 15 14.918 11.643 -5.376 138 H VAL 16 H VAL 16 12.284 9.512 -9.651 139 HA VAL 16 HA VAL 16 13.843 7.124 -9.479 140 HB VAL 16 HB VAL 16 11.012 7.526 -10.516 141 HG11 VAL 16 HG11 VAL 16 10.732 5.109 -10.143 142 HG12 VAL 16 HG12 VAL 16 12.457 4.975 -9.728 143 HG13 VAL 16 HG13 VAL 16 11.972 5.443 -11.375 144 HG21 VAL 16 HG21 VAL 16 12.063 6.616 -7.817 145 HG22 VAL 16 HG22 VAL 16 10.351 6.675 -8.298 146 HG23 VAL 16 HG23 VAL 16 11.293 8.180 -8.176 147 H MET 17 H MET 17 12.854 9.187 -12.091 148 HA MET 17 HA MET 17 13.406 7.370 -14.232 149 HB2 MET 17 HB3 MET 17 11.988 9.437 -14.392 150 HB3 MET 17 HB2 MET 17 13.482 10.400 -14.286 151 HG2 MET 17 HG3 MET 17 14.292 9.352 -16.350 152 HG3 MET 17 HG2 MET 17 12.783 8.414 -16.459 153 HE1 MET 17 HE1 MET 17 11.955 10.781 -19.335 154 HE2 MET 17 HE2 MET 17 11.834 9.131 -18.680 155 HE3 MET 17 HE3 MET 17 13.432 9.849 -18.992 156 H ARG 18 H ARG 18 15.274 9.722 -12.419 157 HA ARG 18 HA ARG 18 17.607 9.581 -14.095 158 HB2 ARG 18 HB3 ARG 18 17.028 10.763 -11.377 159 HB3 ARG 18 HB2 ARG 18 18.657 10.778 -12.094 160 HG2 ARG 18 HG3 ARG 18 18.090 12.313 -13.697 161 HG3 ARG 18 HG2 ARG 18 16.372 11.845 -13.698 162 HD2 ARG 18 HD3 ARG 18 16.839 14.101 -12.706 163 HD3 ARG 18 HD2 ARG 18 15.983 12.976 -11.624 164 HE ARG 18 HE ARG 18 18.810 12.876 -11.213 165 HH11 ARG 18 HH11 ARG 18 15.978 14.833 -10.565 166 HH12 ARG 18 HH12 ARG 18 16.603 15.491 -9.090 167 HH21 ARG 18 HH22 ARG 18 19.655 13.769 -9.277 168 HH22 ARG 18 HH21 ARG 18 18.701 14.892 -8.361 169 H TYR 19 H TYR 19 16.820 8.335 -10.838 170 HA TYR 19 HA TYR 19 19.354 6.913 -10.722 171 HB2 TYR 19 HB3 TYR 19 17.044 7.004 -8.770 172 HB3 TYR 19 HB2 TYR 19 18.610 6.207 -8.483 173 HD1 TYR 19 HD2 TYR 19 20.708 7.825 -8.949 174 HD2 TYR 19 HD1 TYR 19 16.778 9.140 -7.894 175 HE1 TYR 19 HE2 TYR 19 21.642 9.946 -8.117 176 HE2 TYR 19 HE1 TYR 19 17.713 11.268 -7.064 177 HH TYR 19 HH TYR 19 21.048 12.129 -7.586 178 H GLY 20 H GLY 20 15.930 6.048 -10.974 179 HA2 GLY 20 HA3 GLY 20 15.485 4.075 -12.413 180 HA3 GLY 20 HA2 GLY 20 16.807 3.271 -11.533 181 H ALA 21 H ALA 21 14.791 1.757 -11.376 182 HA ALA 21 HA ALA 21 13.104 2.531 -9.096 183 HB1 ALA 21 HB1 ALA 21 11.675 0.634 -9.752 184 HB2 ALA 21 HB2 ALA 21 12.800 0.260 -11.080 185 HB3 ALA 21 HB3 ALA 21 11.903 1.798 -11.079 186 H LYS 22 H LYS 22 15.847 1.821 -8.625 187 HA LYS 22 HA LYS 22 15.351 -0.501 -6.894 188 HB2 LYS 22 HB3 LYS 22 16.612 -1.231 -8.922 189 HB3 LYS 22 HB2 LYS 22 17.939 -0.158 -8.414 190 HG2 LYS 22 HG3 LYS 22 17.807 -1.461 -6.170 191 HG3 LYS 22 HG2 LYS 22 16.923 -2.678 -7.122 192 HD2 LYS 22 HD3 LYS 22 18.790 -2.920 -8.640 193 HD3 LYS 22 HD2 LYS 22 19.662 -1.591 -7.837 194 HE2 LYS 22 HE3 LYS 22 18.859 -4.215 -6.540 195 HE3 LYS 22 HE2 LYS 22 20.488 -3.810 -7.134 196 HZ1 LYS 22 HZ1 LYS 22 19.047 -2.292 -5.013 197 HZ2 LYS 22 HZ2 LYS 22 20.645 -2.064 -5.517 198 HZ3 LYS 22 HZ3 LYS 22 20.208 -3.488 -4.721 199 H ASP 23 H ASP 23 17.655 2.173 -7.543 200 HA ASP 23 HA ASP 23 18.479 2.029 -4.760 201 HB2 ASP 23 HB3 ASP 23 20.138 2.435 -6.614 202 HB3 ASP 23 HB2 ASP 23 19.456 4.074 -6.743 203 H TRP 24 H TRP 24 16.568 2.567 -3.762 204 HA TRP 24 HA TRP 24 15.449 5.221 -4.129 205 HB2 TRP 24 HB3 TRP 24 14.847 3.299 -1.866 206 HB3 TRP 24 HB2 TRP 24 13.815 4.591 -2.525 207 HD1 TRP 24 HD1 TRP 24 14.668 0.929 -2.970 208 HE1 TRP 24 HE1 TRP 24 13.265 -0.059 -4.871 209 HE3 TRP 24 HE3 TRP 24 12.683 5.263 -4.837 210 HZ2 TRP 24 HZ2 TRP 24 11.517 0.849 -6.893 211 HZ3 TRP 24 HZ3 TRP 24 11.135 5.124 -6.758 212 HH2 TRP 24 HH2 TRP 24 10.560 2.948 -7.770 213 H ILE 25 H ILE 25 18.055 3.872 -2.549 214 HA ILE 25 HA ILE 25 18.149 5.255 -0.088 215 HB ILE 25 HB ILE 25 20.536 4.449 -1.794 216 HG12 ILE 25 HG12 ILE 25 19.077 2.771 0.268 217 HG13 ILE 25 HG13 ILE 25 18.838 2.620 -1.490 218 HG21 ILE 25 HG21 ILE 25 21.661 4.210 0.387 219 HG22 ILE 25 HG22 ILE 25 20.182 4.765 1.207 220 HG23 ILE 25 HG23 ILE 25 21.071 5.870 0.131 221 HD11 ILE 25 HD11 ILE 25 21.196 2.006 -1.758 222 HD12 ILE 25 HD12 ILE 25 20.353 0.900 -0.647 223 HD13 ILE 25 HD13 ILE 25 21.435 2.156 -0.001 224 H ARG 26 H ARG 26 19.373 6.065 -3.322 225 HA ARG 26 HA ARG 26 20.593 8.509 -2.562 226 HB2 ARG 26 HB3 ARG 26 20.081 7.054 -5.011 227 HB3 ARG 26 HB2 ARG 26 19.803 8.799 -5.228 228 HG2 ARG 26 HG3 ARG 26 22.154 7.824 -5.698 229 HG3 ARG 26 HG2 ARG 26 22.012 9.341 -4.778 230 HD2 ARG 26 HD3 ARG 26 23.655 7.902 -3.735 231 HD3 ARG 26 HD2 ARG 26 22.232 8.059 -2.676 232 HE ARG 26 HE ARG 26 21.703 5.773 -4.031 233 HH11 ARG 26 HH11 ARG 26 24.522 6.914 -2.277 234 HH12 ARG 26 HH12 ARG 26 25.032 5.327 -1.801 235 HH21 ARG 26 HH22 ARG 26 22.378 3.667 -3.412 236 HH22 ARG 26 HH21 ARG 26 23.817 3.483 -2.445 237 H ILE 27 H ILE 27 17.294 7.636 -3.220 238 HA ILE 27 HA ILE 27 16.383 10.380 -3.524 239 HB ILE 27 HB ILE 27 14.785 7.822 -3.069 240 HG12 ILE 27 HG12 ILE 27 15.386 9.233 -5.682 241 HG13 ILE 27 HG13 ILE 27 16.251 7.792 -5.094 242 HG21 ILE 27 HG21 ILE 27 12.909 9.099 -4.029 243 HG22 ILE 27 HG22 ILE 27 13.948 10.541 -4.129 244 HG23 ILE 27 HG23 ILE 27 13.527 9.856 -2.542 245 HD11 ILE 27 HD11 ILE 27 14.158 6.517 -5.145 246 HD12 ILE 27 HD12 ILE 27 14.548 7.199 -6.742 247 HD13 ILE 27 HD13 ILE 27 13.294 7.958 -5.732 248 H SER 28 H SER 28 16.634 7.888 -1.080 249 HA SER 28 HA SER 28 15.062 9.103 0.942 250 HB2 SER 28 HB3 SER 28 17.412 7.216 1.306 251 HB3 SER 28 HB2 SER 28 16.106 7.540 2.471 252 HG SER 28 HG SER 28 15.501 6.597 -0.129 253 H GLN 29 H GLN 29 18.081 9.939 -0.361 254 HA GLN 29 HA GLN 29 19.365 11.094 1.889 255 HB2 GLN 29 HB3 GLN 29 19.502 11.713 -1.075 256 HB3 GLN 29 HB2 GLN 29 20.523 12.513 0.144 257 HG2 GLN 29 HG3 GLN 29 21.550 10.411 0.732 258 HG3 GLN 29 HG2 GLN 29 20.449 9.530 -0.355 259 HE21 GLN 29 HE22 GLN 29 20.525 11.391 -2.494 260 HE22 GLN 29 HE21 GLN 29 22.097 11.317 -3.211 261 H LEU 30 H LEU 30 16.879 12.166 -0.327 262 HA LEU 30 HA LEU 30 16.775 14.828 0.918 263 HB2 LEU 30 HB3 LEU 30 15.241 13.627 -1.406 264 HB3 LEU 30 HB2 LEU 30 15.089 15.301 -0.821 265 HG LEU 30 HG LEU 30 17.609 14.097 -1.982 266 HD11 LEU 30 HD11 LEU 30 17.101 15.451 -3.977 267 HD12 LEU 30 HD12 LEU 30 15.544 15.922 -3.254 268 HD13 LEU 30 HD13 LEU 30 15.851 14.220 -3.675 269 HD21 LEU 30 HD21 LEU 30 16.853 16.958 -1.305 270 HD22 LEU 30 HD22 LEU 30 18.355 16.441 -2.106 271 HD23 LEU 30 HD23 LEU 30 18.023 15.941 -0.431 272 H MET 31 H MET 31 14.835 11.932 0.310 273 HA MET 31 HA MET 31 12.757 12.831 2.176 274 HB2 MET 31 HB3 MET 31 12.930 10.269 0.554 275 HB3 MET 31 HB2 MET 31 11.504 10.907 1.408 276 HG2 MET 31 HG3 MET 31 11.496 12.851 -0.112 277 HG3 MET 31 HG2 MET 31 12.875 12.146 -0.990 278 HE1 MET 31 HE1 MET 31 9.850 11.699 -3.479 279 HE2 MET 31 HE2 MET 31 11.479 12.380 -3.256 280 HE3 MET 31 HE3 MET 31 10.102 13.051 -2.349 281 H ILE 32 H ILE 32 13.890 12.723 4.113 282 HA ILE 32 HA ILE 32 15.095 10.145 4.852 283 HB ILE 32 HB ILE 32 16.462 12.169 5.190 284 HG12 ILE 32 HG12 ILE 32 15.732 10.974 7.862 285 HG13 ILE 32 HG13 ILE 32 16.633 10.088 6.608 286 HG21 ILE 32 HG21 ILE 32 15.927 13.747 7.000 287 HG22 ILE 32 HG22 ILE 32 14.351 12.950 7.219 288 HG23 ILE 32 HG23 ILE 32 14.721 13.788 5.693 289 HD11 ILE 32 HD11 ILE 32 18.402 11.784 6.680 290 HD12 ILE 32 HD12 ILE 32 18.139 11.045 8.277 291 HD13 ILE 32 HD13 ILE 32 17.501 12.670 7.934 292 H THR 33 H THR 33 12.388 12.173 5.526 293 HA THR 33 HA THR 33 11.640 10.713 7.948 294 HB THR 33 HB THR 33 9.507 12.380 7.061 295 HG1 THR 33 HG1 THR 33 11.441 14.242 7.148 296 HG21 THR 33 HG21 THR 33 10.214 12.015 9.398 297 HG22 THR 33 HG22 THR 33 10.147 13.750 9.009 298 HG23 THR 33 HG23 THR 33 11.717 12.915 9.084 299 H ARG 34 H ARG 34 11.713 9.644 5.042 300 HA ARG 34 HA ARG 34 9.038 8.387 5.141 301 HB2 ARG 34 HB3 ARG 34 8.944 10.039 3.411 302 HB3 ARG 34 HB2 ARG 34 10.527 9.539 2.768 303 HG2 ARG 34 HG3 ARG 34 9.609 7.484 1.935 304 HG3 ARG 34 HG2 ARG 34 8.050 7.802 2.733 305 HD2 ARG 34 HD3 ARG 34 9.307 9.483 0.533 306 HD3 ARG 34 HD2 ARG 34 7.949 8.349 0.336 307 HE ARG 34 HE ARG 34 6.641 9.807 1.772 308 HH11 ARG 34 HH11 ARG 34 9.560 11.163 0.394 309 HH12 ARG 34 HH12 ARG 34 9.094 12.806 0.710 310 HH21 ARG 34 HH22 ARG 34 6.026 11.954 2.179 311 HH22 ARG 34 HH21 ARG 34 7.074 13.258 1.694 312 H ASN 35 H ASN 35 9.060 6.227 4.972 313 HA ASN 35 HA ASN 35 11.332 4.626 5.103 314 HB2 ASN 35 HB3 ASN 35 8.493 4.342 5.016 315 HB3 ASN 35 HB2 ASN 35 9.143 3.292 3.733 316 HD21 ASN 35 HD22 ASN 35 7.773 2.669 6.272 317 HD22 ASN 35 HD21 ASN 35 8.833 1.608 7.139 318 HA PRO 36 HA PRO 36 12.964 5.070 0.940 319 HB2 PRO 36 HB3 PRO 36 14.014 2.310 1.615 320 HB3 PRO 36 HB2 PRO 36 14.883 3.708 0.935 321 HG2 PRO 36 HG3 PRO 36 15.164 3.083 3.495 322 HG3 PRO 36 HG2 PRO 36 15.023 4.787 2.999 323 HD2 PRO 36 HD3 PRO 36 12.980 3.003 4.296 324 HD3 PRO 36 HD2 PRO 36 13.281 4.740 4.538 325 H ARG 37 H ARG 37 11.629 1.950 2.015 326 HA ARG 37 HA ARG 37 11.018 0.991 -0.607 327 HB2 ARG 37 HB3 ARG 37 9.920 0.170 2.096 328 HB3 ARG 37 HB2 ARG 37 9.698 -0.722 0.571 329 HG2 ARG 37 HG3 ARG 37 11.996 -1.293 0.460 330 HG3 ARG 37 HG2 ARG 37 12.420 -0.139 1.748 331 HD2 ARG 37 HD3 ARG 37 10.612 -2.543 2.132 332 HD3 ARG 37 HD2 ARG 37 12.357 -2.535 2.484 333 HE ARG 37 HE ARG 37 11.949 -0.974 4.253 334 HH11 ARG 37 HH11 ARG 37 9.048 -2.309 2.813 335 HH12 ARG 37 HH12 ARG 37 8.047 -1.939 4.178 336 HH21 ARG 37 HH22 ARG 37 10.638 -0.490 6.055 337 HH22 ARG 37 HH21 ARG 37 8.950 -0.892 6.027 338 H GLN 38 H GLN 38 9.422 3.098 1.620 339 HA GLN 38 HA GLN 38 6.793 2.711 0.533 340 HB2 GLN 38 HB3 GLN 38 7.949 4.313 2.683 341 HB3 GLN 38 HB2 GLN 38 6.635 5.126 1.799 342 HG2 GLN 38 HG3 GLN 38 5.929 3.785 3.811 343 HG3 GLN 38 HG2 GLN 38 5.100 3.383 2.288 344 HE21 GLN 38 HE22 GLN 38 4.568 1.300 2.685 345 HE22 GLN 38 HE21 GLN 38 5.729 0.041 2.944 346 H CYS 39 H CYS 39 9.519 4.731 -0.233 347 HA CYS 39 HA CYS 39 8.196 6.627 -1.871 348 HB2 CYS 39 HB3 CYS 39 10.956 5.447 -2.321 349 HB3 CYS 39 HB2 CYS 39 10.359 7.044 -2.833 350 HG CYS 39 HG CYS 39 10.795 6.146 0.454 351 H ARG 40 H ARG 40 9.179 3.334 -2.241 352 HA ARG 40 HA ARG 40 8.752 3.154 -5.098 353 HB2 ARG 40 HB3 ARG 40 10.219 1.496 -4.563 354 HB3 ARG 40 HB2 ARG 40 9.632 1.380 -2.886 355 HG2 ARG 40 HG3 ARG 40 8.773 -0.589 -3.469 356 HG3 ARG 40 HG2 ARG 40 7.545 0.331 -4.372 357 HD2 ARG 40 HD3 ARG 40 8.379 -1.187 -5.945 358 HD3 ARG 40 HD2 ARG 40 9.247 0.324 -6.307 359 HE ARG 40 HE ARG 40 11.207 -0.618 -5.438 360 HH11 ARG 40 HH11 ARG 40 8.522 -2.863 -5.243 361 HH12 ARG 40 HH12 ARG 40 9.532 -4.248 -4.963 362 HH21 ARG 40 HH22 ARG 40 12.545 -2.451 -5.088 363 HH22 ARG 40 HH21 ARG 40 11.819 -4.017 -4.904 364 H GLU 41 H GLU 41 7.036 2.546 -2.112 365 HA GLU 41 HA GLU 41 4.838 1.084 -3.048 366 HB2 GLU 41 HB3 GLU 41 5.489 1.428 -0.672 367 HB3 GLU 41 HB2 GLU 41 4.890 3.101 -0.790 368 HG2 GLU 41 HG3 GLU 41 2.650 2.037 -1.469 369 HG3 GLU 41 HG2 GLU 41 3.339 0.523 -0.833 370 H ARG 42 H ARG 42 5.314 4.620 -2.817 371 HA ARG 42 HA ARG 42 2.669 5.263 -3.732 372 HB2 ARG 42 HB3 ARG 42 4.653 6.697 -2.557 373 HB3 ARG 42 HB2 ARG 42 4.877 7.181 -4.256 374 HG2 ARG 42 HG3 ARG 42 2.384 7.510 -2.568 375 HG3 ARG 42 HG2 ARG 42 3.474 8.792 -3.149 376 HD2 ARG 42 HD3 ARG 42 2.849 7.767 -5.512 377 HD3 ARG 42 HD2 ARG 42 1.409 7.209 -4.627 378 HE ARG 42 HE ARG 42 2.233 10.057 -4.903 379 HH11 ARG 42 HH11 ARG 42 -0.233 7.592 -4.483 380 HH12 ARG 42 HH12 ARG 42 -1.550 8.712 -4.568 381 HH21 ARG 42 HH22 ARG 42 0.500 11.533 -5.033 382 HH22 ARG 42 HH21 ARG 42 -1.137 10.956 -4.870 383 H TRP 43 H TRP 43 5.862 5.007 -5.266 384 HA TRP 43 HA TRP 43 5.137 5.802 -7.862 385 HB2 TRP 43 HB3 TRP 43 7.442 5.670 -7.361 386 HB3 TRP 43 HB2 TRP 43 7.302 3.998 -6.765 387 HD1 TRP 43 HD1 TRP 43 7.277 2.023 -8.612 388 HE1 TRP 43 HE1 TRP 43 8.033 1.969 -11.063 389 HE3 TRP 43 HE3 TRP 43 7.630 7.064 -9.475 390 HZ2 TRP 43 HZ2 TRP 43 8.716 3.781 -13.099 391 HZ3 TRP 43 HZ3 TRP 43 8.363 7.828 -11.710 392 HH2 TRP 43 HH2 TRP 43 8.892 6.210 -13.494 393 H ASN 44 H ASN 44 5.333 2.567 -6.429 394 HA ASN 44 HA ASN 44 4.495 1.182 -8.759 395 HB2 ASN 44 HB3 ASN 44 5.763 0.292 -6.685 396 HB3 ASN 44 HB2 ASN 44 4.136 0.040 -6.006 397 HD21 ASN 44 HD22 ASN 44 3.484 -1.987 -6.240 398 HD22 ASN 44 HD21 ASN 44 3.810 -2.996 -7.608 399 H ASN 45 H ASN 45 2.606 2.831 -6.343 400 HA ASN 45 HA ASN 45 0.243 1.363 -7.307 401 HB2 ASN 45 HB3 ASN 45 0.771 2.861 -4.757 402 HB3 ASN 45 HB2 ASN 45 -0.888 2.520 -5.305 403 HD21 ASN 45 HD22 ASN 45 2.024 1.232 -4.007 404 HD22 ASN 45 HD21 ASN 45 1.447 -0.383 -3.708 405 H TYR 46 H TYR 46 1.720 4.389 -7.775 406 HA TYR 46 HA TYR 46 -0.885 5.403 -8.725 407 HB2 TYR 46 HB3 TYR 46 -0.317 6.516 -6.642 408 HB3 TYR 46 HB2 TYR 46 1.241 7.035 -7.330 409 HD1 TYR 46 HD2 TYR 46 -2.444 7.272 -8.064 410 HD2 TYR 46 HD1 TYR 46 1.386 9.170 -8.210 411 HE1 TYR 46 HE2 TYR 46 -3.500 9.332 -8.911 412 HE2 TYR 46 HE1 TYR 46 0.335 11.236 -9.046 413 HH TYR 46 HH TYR 46 -1.622 12.005 -10.101 414 H ILE 47 H ILE 47 2.635 5.587 -9.177 415 HA ILE 47 HA ILE 47 2.205 7.034 -11.691 416 HB ILE 47 HB ILE 47 4.885 6.217 -10.529 417 HG12 ILE 47 HG12 ILE 47 3.343 8.783 -10.021 418 HG13 ILE 47 HG13 ILE 47 3.570 7.469 -8.841 419 HG21 ILE 47 HG21 ILE 47 5.685 8.149 -11.836 420 HG22 ILE 47 HG22 ILE 47 4.026 8.441 -12.413 421 HG23 ILE 47 HG23 ILE 47 4.878 6.946 -12.870 422 HD11 ILE 47 HD11 ILE 47 5.990 7.854 -8.880 423 HD12 ILE 47 HD12 ILE 47 5.101 9.323 -8.415 424 HD13 ILE 47 HD13 ILE 47 5.763 9.167 -10.060 425 H ASN 48 H ASN 48 3.043 3.890 -10.504 426 HA ASN 48 HA ASN 48 4.071 2.971 -13.033 427 HB2 ASN 48 HB3 ASN 48 4.778 2.159 -10.706 428 HB3 ASN 48 HB2 ASN 48 3.316 1.145 -10.773 429 HD21 ASN 48 HD22 ASN 48 4.920 -0.583 -10.623 430 HD22 ASN 48 HD21 ASN 48 5.648 -1.162 -12.081 431 HA PRO 49 HA PRO 49 -0.037 0.831 -13.628 432 HB2 PRO 49 HB3 PRO 49 -1.802 0.392 -11.633 433 HB3 PRO 49 HB2 PRO 49 -0.249 -0.480 -11.646 434 HG2 PRO 49 HG3 PRO 49 -1.124 1.840 -9.983 435 HG3 PRO 49 HG2 PRO 49 -0.032 0.496 -9.574 436 HD2 PRO 49 HD3 PRO 49 0.704 3.124 -10.437 437 HD3 PRO 49 HD2 PRO 49 1.785 1.733 -10.181 438 H ALA 50 H ALA 50 -2.556 1.215 -13.677 439 HA ALA 50 HA ALA 50 -3.084 4.113 -13.430 440 HB1 ALA 50 HB1 ALA 50 -4.533 3.930 -15.411 441 HB2 ALA 50 HB2 ALA 50 -4.083 2.216 -15.575 442 HB3 ALA 50 HB3 ALA 50 -2.850 3.483 -15.775 443 H LEU 51 H LEU 51 -3.800 3.382 -11.247 444 HA LEU 51 HA LEU 51 -6.102 1.780 -10.931 445 HB2 LEU 51 HB3 LEU 51 -6.147 2.513 -8.663 446 HB3 LEU 51 HB2 LEU 51 -4.466 2.196 -9.156 447 HG LEU 51 HG LEU 51 -5.676 4.958 -8.952 448 HD11 LEU 51 HD11 LEU 51 -4.462 5.162 -6.818 449 HD12 LEU 51 HD12 LEU 51 -4.008 3.444 -6.921 450 HD13 LEU 51 HD13 LEU 51 -5.719 3.905 -6.756 451 HD21 LEU 51 HD21 LEU 51 -2.798 4.020 -9.136 452 HD22 LEU 51 HD22 LEU 51 -3.332 5.704 -8.918 453 HD23 LEU 51 HD23 LEU 51 -3.729 4.831 -10.417 454 H ARG 52 H ARG 52 -7.719 2.414 -12.296 455 HA ARG 52 HA ARG 52 -9.413 4.524 -11.311 456 HB2 ARG 52 HB3 ARG 52 -9.568 5.729 -13.472 457 HB3 ARG 52 HB2 ARG 52 -7.990 5.901 -12.666 458 HG2 ARG 52 HG3 ARG 52 -7.155 4.066 -14.206 459 HG3 ARG 52 HG2 ARG 52 -8.675 4.265 -15.110 460 HD2 ARG 52 HD3 ARG 52 -6.576 6.392 -14.588 461 HD3 ARG 52 HD2 ARG 52 -6.919 5.590 -16.141 462 HE ARG 52 HE ARG 52 -9.297 6.675 -15.585 463 HH11 ARG 52 HH11 ARG 52 -6.082 8.043 -15.362 464 HH12 ARG 52 HH12 ARG 52 -6.604 9.655 -15.738 465 HH21 ARG 52 HH22 ARG 52 -9.986 8.805 -16.072 466 HH22 ARG 52 HH21 ARG 52 -8.819 10.090 -16.124 467 H THR 53 H THR 53 -10.682 4.658 -14.009 468 HA THR 53 HA THR 53 -12.742 3.798 -14.684 469 HB THR 53 HB THR 53 -12.247 1.499 -15.853 470 HG1 THR 53 HG1 THR 53 -10.150 1.551 -14.444 471 HG21 THR 53 HG21 THR 53 -12.450 3.668 -17.007 472 HG22 THR 53 HG22 THR 53 -11.124 2.698 -17.691 473 HG23 THR 53 HG23 THR 53 -10.761 4.049 -16.591 474 H ASP 54 H ASP 54 -12.880 3.455 -11.997 475 HA ASP 54 HA ASP 54 -14.066 2.336 -10.393 476 HB2 ASP 54 HB3 ASP 54 -14.942 0.782 -12.831 477 HB3 ASP 54 HB2 ASP 54 -15.488 0.347 -11.194 478 HA PRO 55 HA PRO 55 -11.577 -1.030 -8.991 479 HB2 PRO 55 HB3 PRO 55 -13.293 -2.608 -7.527 480 HB3 PRO 55 HB2 PRO 55 -12.780 -0.995 -6.976 481 HG2 PRO 55 HG3 PRO 55 -15.316 -1.819 -8.369 482 HG3 PRO 55 HG2 PRO 55 -15.096 -0.731 -6.977 483 HD2 PRO 55 HD3 PRO 55 -15.473 0.191 -9.510 484 HD3 PRO 55 HD2 PRO 55 -14.486 1.064 -8.312 485 H TRP 56 H TRP 56 -12.620 -3.753 -8.457 486 HA TRP 56 HA TRP 56 -12.478 -4.740 -11.204 487 HB2 TRP 56 HB3 TRP 56 -12.599 -6.949 -9.486 488 HB3 TRP 56 HB2 TRP 56 -11.174 -6.290 -10.326 489 HD1 TRP 56 HD1 TRP 56 -9.733 -4.373 -8.817 490 HE1 TRP 56 HE1 TRP 56 -9.231 -4.411 -6.297 491 HE3 TRP 56 HE3 TRP 56 -13.366 -7.654 -7.305 492 HZ2 TRP 56 HZ2 TRP 56 -10.203 -5.661 -3.973 493 HZ3 TRP 56 HZ3 TRP 56 -13.510 -8.239 -4.908 494 HH2 TRP 56 HH2 TRP 56 -11.954 -7.248 -3.266 495 H SER 57 H SER 57 -13.855 -6.711 -11.697 496 HA SER 57 HA SER 57 -16.630 -5.996 -11.109 497 HB2 SER 57 HB3 SER 57 -15.565 -8.123 -12.998 498 HB3 SER 57 HB2 SER 57 -17.194 -7.405 -12.978 499 HG SER 57 HG SER 57 -15.061 -5.625 -13.215 500 HA PRO 58 HA PRO 58 -17.636 -9.266 -8.335 501 HB2 PRO 58 HB3 PRO 58 -19.648 -10.340 -10.301 502 HB3 PRO 58 HB2 PRO 58 -19.878 -9.845 -8.606 503 HG2 PRO 58 HG3 PRO 58 -20.724 -8.294 -10.592 504 HG3 PRO 58 HG2 PRO 58 -19.971 -7.582 -9.144 505 HD2 PRO 58 HD3 PRO 58 -18.796 -8.020 -11.885 506 HD3 PRO 58 HD2 PRO 58 -18.604 -6.636 -10.782 507 H GLU 59 H GLU 59 -16.723 -10.048 -11.580 508 HA GLU 59 HA GLU 59 -16.636 -12.911 -11.311 509 HB2 GLU 59 HB3 GLU 59 -14.769 -11.587 -13.190 510 HB3 GLU 59 HB2 GLU 59 -15.930 -12.908 -13.464 511 HG2 GLU 59 HG3 GLU 59 -17.744 -11.118 -13.334 512 HG3 GLU 59 HG2 GLU 59 -16.422 -9.934 -13.472 513 H GLU 60 H GLU 60 -14.354 -10.226 -11.012 514 HA GLU 60 HA GLU 60 -12.112 -11.892 -10.331 515 HB2 GLU 60 HB3 GLU 60 -12.609 -8.914 -10.049 516 HB3 GLU 60 HB2 GLU 60 -11.082 -9.713 -9.602 517 HG2 GLU 60 HG3 GLU 60 -10.468 -9.160 -11.686 518 HG3 GLU 60 HG2 GLU 60 -11.391 -10.615 -12.137 519 H ASP 61 H ASP 61 -14.605 -10.111 -8.619 520 HA ASP 61 HA ASP 61 -13.584 -10.276 -6.001 521 HB2 ASP 61 HB3 ASP 61 -15.385 -8.804 -6.380 522 HB3 ASP 61 HB2 ASP 61 -16.375 -10.075 -7.137 523 H MET 62 H MET 62 -15.628 -12.521 -7.844 524 HA MET 62 HA MET 62 -15.877 -14.354 -5.629 525 HB2 MET 62 HB3 MET 62 -16.630 -14.531 -8.546 526 HB3 MET 62 HB2 MET 62 -16.853 -15.878 -7.405 527 HG2 MET 62 HG3 MET 62 -18.413 -14.650 -6.114 528 HG3 MET 62 HG2 MET 62 -18.017 -13.130 -6.953 529 HE1 MET 62 HE1 MET 62 -21.758 -13.961 -7.992 530 HE2 MET 62 HE2 MET 62 -20.692 -12.784 -7.188 531 HE3 MET 62 HE3 MET 62 -20.991 -14.371 -6.439 532 H LEU 63 H LEU 63 -13.730 -14.055 -8.412 533 HA LEU 63 HA LEU 63 -12.621 -16.705 -8.076 534 HB2 LEU 63 HB3 LEU 63 -12.744 -15.615 -10.273 535 HB3 LEU 63 HB2 LEU 63 -11.651 -14.334 -9.694 536 HG LEU 63 HG LEU 63 -9.875 -16.034 -9.405 537 HD11 LEU 63 HD11 LEU 63 -10.148 -18.244 -10.460 538 HD12 LEU 63 HD12 LEU 63 -11.859 -17.875 -10.781 539 HD13 LEU 63 HD13 LEU 63 -11.278 -18.015 -9.105 540 HD21 LEU 63 HD21 LEU 63 -11.089 -15.860 -12.181 541 HD22 LEU 63 HD22 LEU 63 -9.409 -16.314 -11.808 542 HD23 LEU 63 HD23 LEU 63 -9.992 -14.675 -11.432 543 H LEU 64 H LEU 64 -11.847 -13.435 -7.078 544 HA LEU 64 HA LEU 64 -9.178 -13.844 -6.267 545 HB2 LEU 64 HB3 LEU 64 -11.159 -11.768 -6.046 546 HB3 LEU 64 HB2 LEU 64 -10.319 -11.980 -4.491 547 HG LEU 64 HG LEU 64 -8.947 -11.503 -7.145 548 HD11 LEU 64 HD11 LEU 64 -8.530 -9.226 -6.300 549 HD12 LEU 64 HD12 LEU 64 -9.534 -9.576 -4.872 550 HD13 LEU 64 HD13 LEU 64 -10.269 -9.548 -6.493 551 HD21 LEU 64 HD21 LEU 64 -7.925 -11.484 -4.287 552 HD22 LEU 64 HD22 LEU 64 -6.977 -11.058 -5.732 553 HD23 LEU 64 HD23 LEU 64 -7.582 -12.719 -5.522 554 H ASP 65 H ASP 65 -12.239 -14.248 -4.547 555 HA ASP 65 HA ASP 65 -11.297 -14.755 -1.978 556 HB2 ASP 65 HB3 ASP 65 -13.653 -14.509 -2.390 557 HB3 ASP 65 HB2 ASP 65 -13.668 -15.933 -3.458 558 H GLN 66 H GLN 66 -11.476 -16.900 -4.760 559 HA GLN 66 HA GLN 66 -10.798 -19.303 -3.359 560 HB2 GLN 66 HB3 GLN 66 -11.974 -19.133 -5.583 561 HB3 GLN 66 HB2 GLN 66 -10.406 -18.685 -6.298 562 HG2 GLN 66 HG3 GLN 66 -9.481 -20.848 -5.570 563 HG3 GLN 66 HG2 GLN 66 -11.079 -21.295 -4.925 564 HE21 GLN 66 HE22 GLN 66 -12.792 -21.632 -6.383 565 HE22 GLN 66 HE21 GLN 66 -12.506 -21.986 -8.052 566 H LYS 67 H LYS 67 -8.929 -17.154 -5.521 567 HA LYS 67 HA LYS 67 -6.450 -18.484 -5.175 568 HB2 LYS 67 HB3 LYS 67 -6.885 -15.570 -5.881 569 HB3 LYS 67 HB2 LYS 67 -5.444 -16.558 -6.220 570 HG2 LYS 67 HG3 LYS 67 -8.177 -17.154 -7.367 571 HG3 LYS 67 HG2 LYS 67 -6.972 -16.125 -8.179 572 HD2 LYS 67 HD3 LYS 67 -5.388 -17.969 -8.251 573 HD3 LYS 67 HD2 LYS 67 -6.506 -19.002 -7.328 574 HE2 LYS 67 HE3 LYS 67 -8.103 -18.998 -9.126 575 HE3 LYS 67 HE2 LYS 67 -7.171 -17.772 -10.018 576 HZ1 LYS 67 HZ1 LYS 67 -6.118 -20.467 -9.362 577 HZ2 LYS 67 HZ2 LYS 67 -5.457 -19.327 -10.417 578 HZ3 LYS 67 HZ3 LYS 67 -6.904 -20.103 -10.814 579 H TYR 68 H TYR 68 -8.087 -16.038 -3.332 580 HA TYR 68 HA TYR 68 -5.807 -15.135 -1.822 581 HB2 TYR 68 HB3 TYR 68 -7.715 -13.685 -2.133 582 HB3 TYR 68 HB2 TYR 68 -8.801 -14.888 -1.397 583 HD1 TYR 68 HD1 TYR 68 -5.835 -12.742 -0.592 584 HD2 TYR 68 HD2 TYR 68 -9.339 -14.720 0.858 585 HE1 TYR 68 HE1 TYR 68 -5.539 -11.660 1.601 586 HE2 TYR 68 HE2 TYR 68 -9.040 -13.643 3.057 587 HH TYR 68 HH TYR 68 -7.031 -12.659 4.361 588 H ALA 69 H ALA 69 -8.175 -17.692 -1.526 589 HA ALA 69 HA ALA 69 -7.414 -18.249 1.232 590 HB1 ALA 69 HB1 ALA 69 -9.089 -20.050 1.094 591 HB2 ALA 69 HB2 ALA 69 -9.332 -19.681 -0.630 592 HB3 ALA 69 HB3 ALA 69 -9.761 -18.475 0.607 593 H GLU 70 H GLU 70 -6.204 -18.992 -1.805 594 HA GLU 70 HA GLU 70 -5.184 -21.617 -0.950 595 HB2 GLU 70 HB3 GLU 70 -5.371 -20.277 -3.653 596 HB3 GLU 70 HB2 GLU 70 -4.412 -21.749 -3.368 597 HG2 GLU 70 HG3 GLU 70 -7.381 -21.478 -2.848 598 HG3 GLU 70 HG2 GLU 70 -6.656 -22.198 -4.306 599 H TYR 71 H TYR 71 -4.050 -18.568 -2.426 600 HA TYR 71 HA TYR 71 -1.280 -19.261 -1.818 601 HB2 TYR 71 HB3 TYR 71 -2.559 -16.858 -3.153 602 HB3 TYR 71 HB2 TYR 71 -0.810 -17.021 -2.860 603 HD1 TYR 71 HD1 TYR 71 0.491 -18.760 -4.068 604 HD2 TYR 71 HD2 TYR 71 -3.624 -18.013 -4.966 605 HE1 TYR 71 HE1 TYR 71 0.744 -19.942 -6.217 606 HE2 TYR 71 HE2 TYR 71 -3.375 -19.200 -7.111 607 HH TYR 71 HH TYR 71 -1.766 -19.921 -8.633 608 H GLY 72 H GLY 72 -3.821 -17.102 -0.720 609 HA2 GLY 72 HA3 GLY 72 -3.912 -16.465 1.609 610 HA3 GLY 72 HA2 GLY 72 -2.132 -16.430 1.608 611 HA PRO 73 HA PRO 73 -3.740 -12.124 0.824 612 HB2 PRO 73 HB3 PRO 73 -2.563 -10.898 2.974 613 HB3 PRO 73 HB2 PRO 73 -4.136 -11.723 3.105 614 HG2 PRO 73 HG3 PRO 73 -1.396 -12.699 3.867 615 HG3 PRO 73 HG2 PRO 73 -2.937 -12.856 4.746 616 HD2 PRO 73 HD3 PRO 73 -1.849 -14.868 3.227 617 HD3 PRO 73 HD2 PRO 73 -3.598 -14.689 3.508 618 H LYS 74 H LYS 74 -1.919 -13.041 -0.781 619 HA LYS 74 HA LYS 74 0.501 -11.387 -0.395 620 HB2 LYS 74 HB3 LYS 74 0.234 -14.000 -1.908 621 HB3 LYS 74 HB2 LYS 74 1.707 -13.008 -1.795 622 HG2 LYS 74 HG3 LYS 74 1.934 -13.440 0.528 623 HG3 LYS 74 HG2 LYS 74 0.299 -14.137 0.630 624 HD2 LYS 74 HD3 LYS 74 1.070 -15.957 -0.925 625 HD3 LYS 74 HD2 LYS 74 2.720 -15.306 -0.770 626 HE2 LYS 74 HE3 LYS 74 2.640 -15.652 1.655 627 HE3 LYS 74 HE2 LYS 74 0.979 -16.276 1.519 628 HZ1 LYS 74 HZ1 LYS 74 2.455 -18.108 1.648 629 HZ2 LYS 74 HZ2 LYS 74 3.457 -17.498 0.438 630 HZ3 LYS 74 HZ3 LYS 74 1.905 -18.041 0.050 631 H TRP 75 H TRP 75 -1.182 -9.854 -1.318 632 HA TRP 75 HA TRP 75 -2.073 -9.787 -3.899 633 HB2 TRP 75 HB3 TRP 75 -0.920 -7.375 -2.495 634 HB3 TRP 75 HB2 TRP 75 -2.141 -7.397 -3.791 635 HD1 TRP 75 HD1 TRP 75 -2.087 -6.740 -0.301 636 HE1 TRP 75 HE1 TRP 75 -4.260 -7.398 0.887 637 HE3 TRP 75 HE3 TRP 75 -4.107 -9.778 -3.899 638 HZ2 TRP 75 HZ2 TRP 75 -6.542 -8.961 0.401 639 HZ3 TRP 75 HZ3 TRP 75 -6.307 -10.819 -3.462 640 HH2 TRP 75 HH2 TRP 75 -7.506 -10.411 -1.346 641 H ASN 76 H ASN 76 1.233 -9.466 -2.898 642 HA ASN 76 HA ASN 76 2.444 -8.255 -5.095 643 HB2 ASN 76 HB3 ASN 76 3.626 -8.907 -3.024 644 HB3 ASN 76 HB2 ASN 76 3.434 -10.623 -3.456 645 HD21 ASN 76 HD22 ASN 76 5.377 -7.867 -3.712 646 HD22 ASN 76 HD21 ASN 76 6.517 -8.483 -4.868 647 H LYS 77 H LYS 77 1.425 -11.603 -4.620 648 HA LYS 77 HA LYS 77 2.271 -12.404 -7.294 649 HB2 LYS 77 HB3 LYS 77 1.276 -13.735 -4.842 650 HB3 LYS 77 HB2 LYS 77 0.775 -14.484 -6.377 651 HG2 LYS 77 HG3 LYS 77 2.772 -15.555 -5.578 652 HG3 LYS 77 HG2 LYS 77 3.154 -14.619 -7.043 653 HD2 LYS 77 HD3 LYS 77 4.211 -12.901 -5.784 654 HD3 LYS 77 HD2 LYS 77 3.571 -13.535 -4.249 655 HE2 LYS 77 HE3 LYS 77 5.944 -14.086 -4.523 656 HE3 LYS 77 HE2 LYS 77 4.935 -15.553 -4.500 657 HZ1 LYS 77 HZ1 LYS 77 6.458 -15.825 -6.236 658 HZ2 LYS 77 HZ2 LYS 77 6.233 -14.264 -6.829 659 HZ3 LYS 77 HZ3 LYS 77 5.008 -15.417 -7.002 660 H ILE 78 H ILE 78 -0.694 -11.641 -5.569 661 HA ILE 78 HA ILE 78 -2.551 -12.591 -7.463 662 HB ILE 78 HB ILE 78 -2.828 -10.320 -5.473 663 HG12 ILE 78 HG12 ILE 78 -2.339 -12.425 -4.396 664 HG13 ILE 78 HG13 ILE 78 -4.044 -11.989 -4.124 665 HG21 ILE 78 HG21 ILE 78 -5.257 -10.618 -5.727 666 HG22 ILE 78 HG22 ILE 78 -4.970 -11.788 -7.037 667 HG23 ILE 78 HG23 ILE 78 -4.489 -10.087 -7.241 668 HD11 ILE 78 HD11 ILE 78 -4.728 -13.589 -5.853 669 HD12 ILE 78 HD12 ILE 78 -3.795 -14.380 -4.561 670 HD13 ILE 78 HD13 ILE 78 -3.024 -14.024 -6.125 671 H SER 79 H SER 79 -0.991 -9.406 -7.169 672 HA SER 79 HA SER 79 -2.451 -8.128 -9.224 673 HB2 SER 79 HB3 SER 79 -0.382 -6.595 -9.269 674 HB3 SER 79 HB2 SER 79 -1.303 -6.706 -7.750 675 HG SER 79 HG SER 79 0.299 -7.836 -6.836 676 H LYS 80 H LYS 80 -0.068 -10.548 -9.376 677 HA LYS 80 HA LYS 80 0.911 -9.818 -11.996 678 HB2 LYS 80 HB3 LYS 80 1.354 -12.294 -10.313 679 HB3 LYS 80 HB2 LYS 80 2.112 -11.993 -11.896 680 HG2 LYS 80 HG3 LYS 80 3.073 -9.879 -10.927 681 HG3 LYS 80 HG2 LYS 80 2.473 -10.414 -9.339 682 HD2 LYS 80 HD3 LYS 80 3.858 -12.385 -9.413 683 HD3 LYS 80 HD2 LYS 80 4.348 -12.031 -11.088 684 HE2 LYS 80 HE3 LYS 80 6.150 -11.324 -9.718 685 HE3 LYS 80 HE2 LYS 80 5.295 -9.842 -10.210 686 HZ1 LYS 80 HZ1 LYS 80 5.368 -11.158 -7.573 687 HZ2 LYS 80 HZ2 LYS 80 4.056 -10.174 -7.977 688 HZ3 LYS 80 HZ3 LYS 80 5.625 -9.534 -7.960 689 H PHE 81 H PHE 81 -1.555 -11.914 -10.634 690 HA PHE 81 HA PHE 81 -2.075 -13.207 -13.188 691 HB2 PHE 81 HB3 PHE 81 -3.642 -13.280 -10.588 692 HB3 PHE 81 HB2 PHE 81 -3.912 -14.317 -12.009 693 HD1 PHE 81 HD2 PHE 81 -1.614 -15.541 -12.803 694 HD2 PHE 81 HD1 PHE 81 -2.546 -14.258 -8.830 695 HE1 PHE 81 HE2 PHE 81 -0.020 -17.189 -11.901 696 HE2 PHE 81 HE1 PHE 81 -0.955 -15.908 -7.924 697 HZ PHE 81 HZ PHE 81 0.314 -17.379 -9.455 698 H LEU 82 H LEU 82 -3.115 -10.452 -11.376 699 HA LEU 82 HA LEU 82 -5.341 -9.998 -13.275 700 HB2 LEU 82 HB3 LEU 82 -4.965 -9.256 -10.387 701 HB3 LEU 82 HB2 LEU 82 -5.999 -8.261 -11.442 702 HG LEU 82 HG LEU 82 -7.444 -9.686 -10.292 703 HD11 LEU 82 HD11 LEU 82 -8.415 -11.129 -12.033 704 HD12 LEU 82 HD12 LEU 82 -6.937 -10.935 -13.005 705 HD13 LEU 82 HD13 LEU 82 -7.966 -9.525 -12.658 706 HD21 LEU 82 HD21 LEU 82 -5.634 -12.009 -11.003 707 HD22 LEU 82 HD22 LEU 82 -7.195 -12.130 -10.157 708 HD23 LEU 82 HD23 LEU 82 -5.835 -11.271 -9.396 709 H LYS 83 H LYS 83 -4.040 -9.095 -14.836 710 HA LYS 83 HA LYS 83 -2.131 -7.036 -14.361 711 HB2 LYS 83 HB3 LYS 83 -2.089 -8.591 -16.283 712 HB3 LYS 83 HB2 LYS 83 -3.549 -7.801 -16.926 713 HG2 LYS 83 HG3 LYS 83 -2.350 -5.757 -17.309 714 HG3 LYS 83 HG2 LYS 83 -0.908 -6.393 -16.482 715 HD2 LYS 83 HD3 LYS 83 -0.515 -7.997 -18.189 716 HD3 LYS 83 HD2 LYS 83 -2.124 -7.737 -18.905 717 HE2 LYS 83 HE3 LYS 83 -1.496 -5.528 -19.647 718 HE3 LYS 83 HE2 LYS 83 0.062 -5.640 -18.793 719 HZ1 LYS 83 HZ1 LYS 83 0.094 -6.095 -21.260 720 HZ2 LYS 83 HZ2 LYS 83 -0.720 -7.539 -20.935 721 HZ3 LYS 83 HZ3 LYS 83 0.818 -7.272 -20.286 722 H ASN 84 H ASN 84 -3.337 -5.558 -13.073 723 HA ASN 84 HA ASN 84 -4.231 -3.295 -14.484 724 HB2 ASN 84 HB3 ASN 84 -6.201 -4.898 -14.835 725 HB3 ASN 84 HB2 ASN 84 -6.570 -4.618 -13.116 726 HD21 ASN 84 HD22 ASN 84 -6.329 -3.133 -16.284 727 HD22 ASN 84 HD21 ASN 84 -7.265 -1.729 -15.906 728 H ARG 85 H ARG 85 -4.512 -5.044 -11.396 729 HA ARG 85 HA ARG 85 -4.391 -2.425 -10.038 730 HB2 ARG 85 HB3 ARG 85 -5.455 -5.057 -8.997 731 HB3 ARG 85 HB2 ARG 85 -5.358 -3.539 -8.073 732 HG2 ARG 85 HG3 ARG 85 -7.006 -4.011 -10.570 733 HG3 ARG 85 HG2 ARG 85 -7.618 -3.934 -8.900 734 HD2 ARG 85 HD3 ARG 85 -7.505 -1.676 -8.825 735 HD3 ARG 85 HD2 ARG 85 -5.983 -1.620 -9.747 736 HE ARG 85 HE ARG 85 -7.410 -2.047 -11.758 737 HH11 ARG 85 HH11 ARG 85 -8.745 -0.477 -8.917 738 HH12 ARG 85 HH12 ARG 85 -10.017 0.298 -9.801 739 HH21 ARG 85 HH22 ARG 85 -9.062 -1.028 -12.902 740 HH22 ARG 85 HH21 ARG 85 -10.200 -0.005 -12.069 741 H SER 86 H SER 86 -3.101 -2.143 -8.226 742 HA SER 86 HA SER 86 -0.744 -3.911 -8.142 743 HB2 SER 86 HB3 SER 86 0.306 -1.838 -7.040 744 HB3 SER 86 HB2 SER 86 -0.071 -1.746 -8.778 745 HG SER 86 HG SER 86 -1.085 -0.300 -6.685 746 H ASP 87 H ASP 87 0.436 -3.691 -5.981 747 HA ASP 87 HA ASP 87 -0.672 -5.192 -4.057 748 HB2 ASP 87 HB3 ASP 87 1.022 -4.180 -2.476 749 HB3 ASP 87 HB2 ASP 87 1.624 -4.876 -4.001 750 H ASN 88 H ASN 88 -0.016 -1.920 -2.836 751 HA ASN 88 HA ASN 88 -1.951 -2.124 -0.829 752 HB2 ASN 88 HB3 ASN 88 -0.113 -0.073 -1.674 753 HB3 ASN 88 HB2 ASN 88 -1.685 0.637 -1.235 754 HD21 ASN 88 HD22 ASN 88 -1.199 1.530 0.742 755 HD22 ASN 88 HD21 ASN 88 -0.639 0.622 2.114 756 H ASN 89 H ASN 89 -2.406 -1.276 -4.136 757 HA ASN 89 HA ASN 89 -4.874 0.121 -3.816 758 HB2 ASN 89 HB3 ASN 89 -3.607 0.290 -5.903 759 HB3 ASN 89 HB2 ASN 89 -3.867 -1.444 -6.212 760 HD21 ASN 89 HD22 ASN 89 -5.278 1.718 -6.245 761 HD22 ASN 89 HD21 ASN 89 -6.766 1.290 -7.014 762 H ILE 90 H ILE 90 -4.116 -3.290 -4.588 763 HA ILE 90 HA ILE 90 -6.849 -4.137 -4.560 764 HB ILE 90 HB ILE 90 -4.360 -5.827 -4.059 765 HG12 ILE 90 HG12 ILE 90 -5.866 -5.391 -6.650 766 HG13 ILE 90 HG13 ILE 90 -4.350 -4.563 -6.218 767 HG21 ILE 90 HG21 ILE 90 -5.788 -7.698 -4.801 768 HG22 ILE 90 HG22 ILE 90 -7.170 -6.585 -4.937 769 HG23 ILE 90 HG23 ILE 90 -6.443 -6.910 -3.346 770 HD11 ILE 90 HD11 ILE 90 -3.200 -6.727 -6.110 771 HD12 ILE 90 HD12 ILE 90 -3.936 -6.457 -7.707 772 HD13 ILE 90 HD13 ILE 90 -4.715 -7.554 -6.542 773 H ARG 91 H ARG 91 -4.261 -3.952 -2.182 774 HA ARG 91 HA ARG 91 -5.426 -5.348 -0.065 775 HB2 ARG 91 HB3 ARG 91 -3.137 -4.641 0.048 776 HB3 ARG 91 HB2 ARG 91 -3.604 -2.928 -0.077 777 HG2 ARG 91 HG3 ARG 91 -2.937 -3.629 2.212 778 HG3 ARG 91 HG2 ARG 91 -4.588 -2.973 2.113 779 HD2 ARG 91 HD3 ARG 91 -5.034 -5.638 1.680 780 HD3 ARG 91 HD2 ARG 91 -3.655 -5.687 2.805 781 HE ARG 91 HE ARG 91 -6.145 -4.202 3.385 782 HH11 ARG 91 HH11 ARG 91 -3.602 -6.412 4.286 783 HH12 ARG 91 HH12 ARG 91 -4.084 -6.493 5.955 784 HH21 ARG 91 HH22 ARG 91 -6.810 -4.323 5.585 785 HH22 ARG 91 HH21 ARG 91 -5.904 -5.320 6.685 786 H ASN 92 H ASN 92 -5.600 -1.849 -0.752 787 HA ASN 92 HA ASN 92 -7.415 -1.215 1.329 788 HB2 ASN 92 HB3 ASN 92 -6.590 0.130 -1.241 789 HB3 ASN 92 HB2 ASN 92 -7.947 0.778 -0.288 790 HD21 ASN 92 HD22 ASN 92 -6.980 2.656 0.286 791 HD22 ASN 92 HD21 ASN 92 -5.613 2.753 1.338 792 H ARG 93 H ARG 93 -7.887 -1.992 -2.095 793 HA ARG 93 HA ARG 93 -10.675 -1.546 -2.156 794 HB2 ARG 93 HB3 ARG 93 -8.635 -2.495 -3.962 795 HB3 ARG 93 HB2 ARG 93 -10.124 -3.459 -4.117 796 HG2 ARG 93 HG3 ARG 93 -9.876 -1.414 -5.630 797 HG3 ARG 93 HG2 ARG 93 -11.406 -1.593 -4.736 798 HD2 ARG 93 HD3 ARG 93 -10.668 0.711 -4.633 799 HD3 ARG 93 HD2 ARG 93 -10.554 -0.028 -3.018 800 HE ARG 93 HE ARG 93 -8.051 -0.342 -4.049 801 HH11 ARG 93 HH11 ARG 93 -10.192 2.390 -3.645 802 HH12 ARG 93 HH12 ARG 93 -8.911 3.533 -3.436 803 HH21 ARG 93 HH22 ARG 93 -6.338 1.191 -3.750 804 HH22 ARG 93 HH21 ARG 93 -6.722 2.870 -3.506 805 H TRP 94 H TRP 94 -8.824 -4.541 -1.636 806 HA TRP 94 HA TRP 94 -11.001 -6.318 -1.590 807 HB2 TRP 94 HB3 TRP 94 -8.724 -7.117 -1.714 808 HB3 TRP 94 HB2 TRP 94 -8.350 -6.415 -0.121 809 HD1 TRP 94 HD1 TRP 94 -8.638 -7.972 1.925 810 HE1 TRP 94 HE1 TRP 94 -9.621 -10.316 2.302 811 HE3 TRP 94 HE3 TRP 94 -10.755 -8.729 -2.682 812 HZ2 TRP 94 HZ2 TRP 94 -11.092 -12.238 0.874 813 HZ3 TRP 94 HZ3 TRP 94 -11.937 -10.858 -3.105 814 HH2 TRP 94 HH2 TRP 94 -12.105 -12.585 -1.349 815 H MET 95 H MET 95 -9.514 -4.423 1.006 816 HA MET 95 HA MET 95 -11.163 -5.447 3.089 817 HB2 MET 95 HB3 MET 95 -8.916 -4.228 3.266 818 HB3 MET 95 HB2 MET 95 -9.856 -2.727 3.084 819 HG2 MET 95 HG3 MET 95 -10.973 -3.046 5.122 820 HG3 MET 95 HG2 MET 95 -10.495 -4.759 5.216 821 HE1 MET 95 HE1 MET 95 -8.623 -3.086 8.269 822 HE2 MET 95 HE2 MET 95 -9.771 -4.350 7.767 823 HE3 MET 95 HE3 MET 95 -10.221 -2.633 7.630 824 H MET 96 H MET 96 -11.388 -2.610 0.974 825 HA MET 96 HA MET 96 -13.677 -1.468 2.219 826 HB2 MET 96 HB3 MET 96 -12.152 -0.210 0.757 827 HB3 MET 96 HB2 MET 96 -12.678 -1.192 -0.632 828 HG2 MET 96 HG3 MET 96 -14.754 0.286 0.918 829 HG3 MET 96 HG2 MET 96 -13.669 1.216 -0.144 830 HE1 MET 96 HE1 MET 96 -16.807 1.100 -2.415 831 HE2 MET 96 HE2 MET 96 -15.497 2.101 -1.745 832 HE3 MET 96 HE3 MET 96 -16.713 1.384 -0.661 833 H ILE 97 H ILE 97 -13.284 -3.613 -0.589 834 HA ILE 97 HA ILE 97 -16.043 -3.774 -1.220 835 HB ILE 97 HB ILE 97 -13.578 -5.178 -2.073 836 HG12 ILE 97 HG12 ILE 97 -14.768 -4.947 -4.298 837 HG13 ILE 97 HG13 ILE 97 -16.046 -4.075 -3.417 838 HG21 ILE 97 HG21 ILE 97 -14.768 -7.011 -3.202 839 HG22 ILE 97 HG22 ILE 97 -16.272 -6.540 -2.375 840 HG23 ILE 97 HG23 ILE 97 -14.886 -7.135 -1.431 841 HD11 ILE 97 HD11 ILE 97 -14.413 -2.387 -2.721 842 HD12 ILE 97 HD12 ILE 97 -14.493 -2.531 -4.493 843 HD13 ILE 97 HD13 ILE 97 -13.136 -3.259 -3.602 844 H ALA 98 H ALA 98 -13.933 -5.759 0.824 845 HA ALA 98 HA ALA 98 -15.765 -7.807 1.409 846 HB1 ALA 98 HB1 ALA 98 -14.393 -8.238 3.407 847 HB2 ALA 98 HB2 ALA 98 -13.553 -6.689 3.158 848 HB3 ALA 98 HB3 ALA 98 -13.394 -7.991 1.955 849 H ARG 99 H ARG 99 -15.384 -4.587 2.777 850 HA ARG 99 HA ARG 99 -17.051 -4.947 5.043 851 HB2 ARG 99 HB3 ARG 99 -15.461 -3.065 4.736 852 HB3 ARG 99 HB2 ARG 99 -16.541 -2.396 3.489 853 HG2 ARG 99 HG3 ARG 99 -18.167 -1.798 5.035 854 HG3 ARG 99 HG2 ARG 99 -17.562 -2.936 6.263 855 HD2 ARG 99 HD3 ARG 99 -16.572 -1.145 7.182 856 HD3 ARG 99 HD2 ARG 99 -15.390 -1.298 5.861 857 HE ARG 99 HE ARG 99 -16.610 0.420 4.668 858 HH11 ARG 99 HH11 ARG 99 -17.487 -0.036 8.023 859 HH12 ARG 99 HH12 ARG 99 -18.112 1.569 8.219 860 HH21 ARG 99 HH22 ARG 99 -17.428 2.553 4.924 861 HH22 ARG 99 HH21 ARG 99 -18.075 3.044 6.457 862 H HIS 100 H HIS 100 -17.728 -4.334 1.679 863 HA HIS 100 HA HIS 100 -20.546 -3.743 2.227 864 HB2 HIS 100 HB3 HIS 100 -19.114 -2.552 0.453 865 HB3 HIS 100 HB2 HIS 100 -19.293 -4.044 -0.503 866 HD1 HIS 100 HD1 HIS 100 -21.068 -3.733 -2.193 867 HD2 HIS 100 HD2 HIS 100 -21.991 -1.778 1.366 868 HE1 HIS 100 HE1 HIS 100 -23.334 -2.692 -2.567 869 HE2 HIS 100 HE2 HIS 100 -23.758 -1.345 -0.480 870 H ARG 101 H ARG 101 -18.485 -6.341 1.183 871 HA ARG 101 HA ARG 101 -20.620 -7.989 0.138 872 HB2 ARG 101 HB3 ARG 101 -18.527 -8.407 -0.841 873 HB3 ARG 101 HB2 ARG 101 -17.692 -8.425 0.732 874 HG2 ARG 101 HG3 ARG 101 -17.792 -10.641 0.682 875 HG3 ARG 101 HG2 ARG 101 -19.559 -10.515 0.854 876 HD2 ARG 101 HD3 ARG 101 -17.982 -10.635 -1.733 877 HD3 ARG 101 HD2 ARG 101 -19.021 -11.911 -1.051 878 HE ARG 101 HE ARG 101 -19.846 -9.574 -2.525 879 HH11 ARG 101 HH11 ARG 101 -20.866 -11.963 -0.174 880 HH12 ARG 101 HH12 ARG 101 -22.539 -11.865 -0.613 881 HH21 ARG 101 HH22 ARG 101 -22.054 -9.427 -3.085 882 HH22 ARG 101 HH21 ARG 101 -23.218 -10.422 -2.267 883 H ALA 102 H ALA 102 -18.965 -7.562 3.202 884 HA ALA 102 HA ALA 102 -19.944 -9.951 4.424 885 HB1 ALA 102 HB1 ALA 102 -19.165 -8.947 6.533 886 HB2 ALA 102 HB2 ALA 102 -18.872 -7.411 5.683 887 HB3 ALA 102 HB3 ALA 102 -17.933 -8.860 5.251 888 H LYS 103 H LYS 103 -21.556 -7.183 3.499 889 HA LYS 103 HA LYS 103 -23.590 -6.286 3.942 890 HB2 LYS 103 HB3 LYS 103 -24.116 -8.938 5.298 891 HB3 LYS 103 HB2 LYS 103 -25.333 -7.769 4.731 892 HG2 LYS 103 HG3 LYS 103 -23.372 -9.223 2.941 893 HG3 LYS 103 HG2 LYS 103 -25.051 -9.734 3.241 894 HD2 LYS 103 HD3 LYS 103 -25.810 -7.508 2.388 895 HD3 LYS 103 HD2 LYS 103 -24.121 -7.154 1.949 896 HE2 LYS 103 HE3 LYS 103 -25.284 -7.980 -0.003 897 HE3 LYS 103 HE2 LYS 103 -24.108 -9.204 0.534 898 HZ1 LYS 103 HZ1 LYS 103 -27.031 -9.239 1.088 899 HZ2 LYS 103 HZ2 LYS 103 -25.919 -10.401 1.608 900 HZ3 LYS 103 HZ3 LYS 103 -26.226 -10.203 -0.042 901 H HIS 104 H HIS 104 -25.341 -6.713 6.130 902 HA HIS 104 HA HIS 104 -23.974 -6.155 8.602 903 HB2 HIS 104 HB3 HIS 104 -25.184 -3.876 8.829 904 HB3 HIS 104 HB2 HIS 104 -23.644 -3.960 7.938 905 HD1 HIS 104 HD1 HIS 104 -27.394 -3.789 7.236 906 HD2 HIS 104 HD2 HIS 104 -23.741 -2.980 5.401 907 HE1 HIS 104 HE1 HIS 104 -27.970 -2.647 5.067 908 HE2 HIS 104 HE2 HIS 104 -25.751 -2.378 3.893 909 H GLN 105 H GLN 105 -25.181 -7.198 10.019 910 HA GLN 105 HA GLN 105 -27.991 -7.709 9.475 911 HB2 GLN 105 HB3 GLN 105 -26.250 -8.569 11.801 912 HB3 GLN 105 HB2 GLN 105 -27.906 -9.130 11.469 913 HG2 GLN 105 HG3 GLN 105 -27.123 -10.085 9.330 914 HG3 GLN 105 HG2 GLN 105 -25.464 -9.583 9.738 915 HE21 GLN 105 HE22 GLN 105 -25.821 -10.198 12.573 916 HE22 GLN 105 HE21 GLN 105 -25.767 -11.923 12.697 917 H LYS 106 H LYS 106 -29.684 -7.232 10.989 918 HA LYS 106 HA LYS 106 -29.215 -5.349 13.121 919 HB2 LYS 106 HB3 LYS 106 -29.120 -3.829 11.216 920 HB3 LYS 106 HB2 LYS 106 -30.683 -4.444 10.626 921 HG2 LYS 106 HG3 LYS 106 -31.838 -3.499 12.504 922 HG3 LYS 106 HG2 LYS 106 -30.303 -3.054 13.288 923 HD2 LYS 106 HD3 LYS 106 -31.048 -1.994 10.562 924 HD3 LYS 106 HD2 LYS 106 -31.624 -1.212 12.054 925 HE2 LYS 106 HE3 LYS 106 -28.708 -1.778 11.446 926 HE3 LYS 106 HE2 LYS 106 -29.518 -0.231 11.099 927 HZ1 LYS 106 HZ1 LYS 106 -28.252 -0.378 13.253 928 HZ2 LYS 106 HZ2 LYS 106 -29.452 -1.421 13.818 929 HZ3 LYS 106 HZ3 LYS 106 -29.848 0.162 13.379 930 H SER 107 H SER 107 -32.014 -5.851 10.971 931 HA SER 107 HA SER 107 -33.386 -7.192 13.221 932 HB2 SER 107 HB3 SER 107 -34.766 -5.298 11.301 933 HB3 SER 107 HB2 SER 107 -35.387 -5.973 12.827 934 HG SER 107 HG SER 107 -34.574 -3.722 12.871 935 H5' DA 1 H5' DA 1 -21.499 16.588 11.236 936 H5'' DA 1 H5'' DA 1 -21.317 15.905 12.863 937 H4' DA 1 H4' DA 1 -22.441 14.254 11.712 938 H3' DA 1 H3' DA 1 -20.116 13.454 12.700 939 H2' DA 1 H2' DA 1 -18.675 13.928 10.865 940 H2'' DA 1 H2'' DA 1 -19.108 12.279 10.459 941 H1' DA 1 H1' DA 1 -20.634 12.922 8.792 942 H8 DA 1 H8 DA 1 -18.614 16.028 9.932 943 H61 DA 1 H61 DA 1 -17.143 17.442 5.548 944 H62 DA 1 H62 DA 1 -17.435 16.862 3.922 945 H2 DA 1 H2 DA 1 -20.164 13.314 4.325 946 HO5' DA 1 HO5' DA 1 -19.201 15.187 12.133 947 H5' DA 2 H5' DA 2 -22.063 11.360 8.473 948 H5'' DA 2 H5'' DA 2 -22.620 10.156 9.651 949 H4' DA 2 H4' DA 2 -22.512 8.990 7.650 950 H3' DA 2 H3' DA 2 -21.001 7.965 9.574 951 H2' DA 2 H2' DA 2 -18.930 9.051 9.173 952 H2'' DA 2 H2'' DA 2 -18.698 7.666 8.123 953 H1' DA 2 H1' DA 2 -19.120 8.872 6.172 954 H8 DA 2 H8 DA 2 -18.454 11.045 9.264 955 H61 DA 2 H61 DA 2 -15.727 14.429 7.095 956 H62 DA 2 H62 DA 2 -15.292 14.740 5.430 957 H2 DA 2 H2 DA 2 -17.296 11.546 2.977 958 H5' DG 3 H5' DG 3 -20.178 7.797 4.869 959 H5'' DG 3 H5'' DG 3 -20.897 6.175 4.895 960 H4' DG 3 H4' DG 3 -19.774 6.159 2.906 961 H3' DG 3 H3' DG 3 -18.837 4.357 4.617 962 H2' DG 3 H2' DG 3 -17.089 5.602 5.658 963 H2'' DG 3 H2'' DG 3 -16.170 4.913 4.331 964 H1' DG 3 H1' DG 3 -16.193 6.863 3.066 965 H8 DG 3 H8 DG 3 -17.093 7.404 6.767 966 H1 DG 3 H1 DG 3 -13.264 11.831 4.140 967 H21 DG 3 H21 DG 3 -13.915 10.176 1.164 968 H22 DG 3 H22 DG 3 -13.098 11.504 1.951 969 H5' DA 4 H5' DA 4 -16.450 6.449 1.072 970 H5'' DA 4 H5'' DA 4 -16.924 5.009 0.148 971 H4' DA 4 H4' DA 4 -15.308 5.936 -1.192 972 H3' DA 4 H3' DA 4 -14.614 3.522 -0.327 973 H2' DA 4 H2' DA 4 -13.439 4.087 1.673 974 H2'' DA 4 H2'' DA 4 -12.092 4.156 0.547 975 H1' DA 4 H1' DA 4 -12.051 6.470 0.452 976 H8 DA 4 H8 DA 4 -14.158 5.115 3.386 977 H61 DA 4 H61 DA 4 -12.359 8.046 6.808 978 H62 DA 4 H62 DA 4 -11.275 9.419 6.774 979 H2 DA 4 H2 DA 4 -10.151 10.045 2.470 980 H5' DT 5 H5' DT 5 -11.657 6.841 -1.477 981 H5'' DT 5 H5'' DT 5 -11.524 6.151 -3.106 982 H4' DT 5 H4' DT 5 -9.775 7.608 -3.116 983 H3' DT 5 H3' DT 5 -8.950 5.072 -3.217 984 H2' DT 5 H2' DT 5 -8.503 4.635 -0.926 985 H2'' DT 5 H2'' DT 5 -6.942 5.315 -1.356 986 H1' DT 5 H1' DT 5 -7.374 7.383 -0.401 987 H3 DT 5 H3 DT 5 -8.238 7.482 3.970 988 H71 DT 5 H71 DT 5 -10.817 3.232 1.887 989 H72 DT 5 H72 DT 5 -11.725 4.198 3.075 990 H73 DT 5 H73 DT 5 -10.290 3.279 3.586 991 H6 DT 5 H6 DT 5 -9.866 4.772 0.401 992 H5' DA 6 H5' DA 6 -6.339 8.457 -1.583 993 H5'' DA 6 H5'' DA 6 -5.548 8.655 -3.158 994 H4' DA 6 H4' DA 6 -4.126 9.784 -1.782 995 H3' DA 6 H3' DA 6 -3.010 7.617 -2.887 996 H2' DA 6 H2' DA 6 -3.201 6.021 -1.157 997 H2'' DA 6 H2'' DA 6 -1.719 6.780 -0.596 998 H1' DA 6 H1' DA 6 -2.760 7.981 1.079 999 H8 DA 6 H8 DA 6 -5.007 5.200 -0.364 1000 H61 DA 6 H61 DA 6 -6.735 3.595 3.881 1001 H62 DA 6 H62 DA 6 -6.583 4.165 5.532 1002 H2 DA 6 H2 DA 6 -4.017 7.839 5.399 1003 H5' DA 7 H5' DA 7 -1.603 9.328 1.420 1004 H5'' DA 7 H5'' DA 7 -0.629 10.375 0.369 1005 H4' DA 7 H4' DA 7 0.545 10.536 2.307 1006 H3' DA 7 H3' DA 7 1.952 9.213 0.458 1007 H2' DA 7 H2' DA 7 1.497 6.964 0.994 1008 H2'' DA 7 H2'' DA 7 2.794 7.196 2.151 1009 H1' DA 7 H1' DA 7 1.393 7.344 3.968 1010 H8 DA 7 H8 DA 7 -0.079 5.857 0.793 1011 H61 DA 7 H61 DA 7 -2.942 2.531 2.870 1012 H62 DA 7 H62 DA 7 -3.427 2.230 4.527 1013 H2 DA 7 H2 DA 7 -1.426 5.359 7.045 1014 H5' DC 8 H5' DC 8 2.569 9.173 5.214 1015 H5'' DC 8 H5'' DC 8 4.040 10.148 5.025 1016 H4' DC 8 H4' DC 8 4.221 9.232 7.147 1017 H3' DC 8 H3' DC 8 6.199 8.646 5.438 1018 H2' DC 8 H2' DC 8 5.580 6.505 4.665 1019 H2'' DC 8 H2'' DC 8 6.351 5.973 6.148 1020 H1' DC 8 H1' DC 8 4.383 5.575 7.261 1021 H41 DC 8 H41 DC 8 1.243 3.035 2.068 1022 H42 DC 8 H42 DC 8 0.568 2.200 3.467 1023 H5 DC 8 H5 DC 8 2.809 4.813 2.171 1024 H6 DC 8 H6 DC 8 4.120 6.227 3.655 1025 H5' DG 9 H5' DG 9 5.129 6.553 9.573 1026 H5'' DG 9 H5'' DG 9 6.598 7.216 10.320 1027 H4' DG 9 H4' DG 9 5.937 5.524 11.759 1028 H3' DG 9 H3' DG 9 8.383 5.251 10.701 1029 H2' DG 9 H2' DG 9 7.988 3.771 8.909 1030 H2'' DG 9 H2'' DG 9 8.146 2.556 10.165 1031 H1' DG 9 H1' DG 9 5.874 2.158 10.315 1032 H8 DG 9 H8 DG 9 6.584 4.454 7.291 1033 H1 DG 9 H1 DG 9 2.731 -0.557 6.167 1034 H21 DG 9 H21 DG 9 3.059 -1.149 9.581 1035 H22 DG 9 H22 DG 9 2.343 -1.652 8.066 1036 H5' DA 10 H5' DA 10 5.718 1.971 12.237 1037 H5'' DA 10 H5'' DA 10 6.464 2.032 13.847 1038 H4' DA 10 H4' DA 10 5.267 0.084 13.940 1039 H3' DA 10 H3' DA 10 7.902 -0.287 14.171 1040 H2' DA 10 H2' DA 10 8.531 -0.841 11.959 1041 H2'' DA 10 H2'' DA 10 8.033 -2.451 12.456 1042 H1' DA 10 H1' DA 10 6.041 -2.388 11.314 1043 H8 DA 10 H8 DA 10 8.182 0.693 10.281 1044 H61 DA 10 H61 DA 10 7.548 0.201 5.464 1045 H62 DA 10 H62 DA 10 6.595 -0.904 4.499 1046 H2 DA 10 H2 DA 10 4.519 -3.677 7.347 1047 H5' DT 11 H5' DT 11 4.737 -3.539 12.881 1048 H5'' DT 11 H5'' DT 11 4.752 -4.105 14.567 1049 H4' DT 11 H4' DT 11 3.701 -5.815 13.414 1050 H3' DT 11 H3' DT 11 5.938 -6.519 14.698 1051 H2' DT 11 H2' DT 11 7.541 -6.364 12.957 1052 H2'' DT 11 H2'' DT 11 7.014 -8.008 12.657 1053 H1' DT 11 H1' DT 11 5.683 -7.441 10.838 1054 H3 DT 11 H3 DT 11 7.461 -5.378 7.325 1055 H71 DT 11 H71 DT 11 10.715 -3.481 10.069 1056 H72 DT 11 H72 DT 11 9.488 -2.354 10.694 1057 H73 DT 11 H73 DT 11 10.071 -3.689 11.714 1058 H6 DT 11 H6 DT 11 8.015 -4.848 12.034 1059 H5' DA 12 H5' DA 12 4.261 -8.796 10.933 1060 H5'' DA 12 H5'' DA 12 3.534 -10.028 11.985 1061 H4' DA 12 H4' DA 12 3.609 -11.091 9.940 1062 H3' DA 12 H3' DA 12 5.069 -12.309 11.796 1063 H2' DA 12 H2' DA 12 7.189 -11.300 11.451 1064 H2'' DA 12 H2'' DA 12 7.351 -12.641 10.331 1065 H1' DA 12 H1' DA 12 6.949 -11.330 8.445 1066 H8 DA 12 H8 DA 12 7.867 -9.304 11.586 1067 H61 DA 12 H61 DA 12 10.886 -6.175 9.397 1068 H62 DA 12 H62 DA 12 11.311 -5.884 7.728 1069 H2 DA 12 H2 DA 12 8.913 -8.788 5.276 1070 H5' DT 13 H5' DT 13 6.053 -12.438 7.403 1071 H5'' DT 13 H5'' DT 13 5.057 -13.894 7.220 1072 H4' DT 13 H4' DT 13 6.141 -13.983 5.244 1073 H3' DT 13 H3' DT 13 7.051 -15.941 6.792 1074 H2' DT 13 H2' DT 13 8.869 -14.802 7.871 1075 H2'' DT 13 H2'' DT 13 9.724 -15.493 6.503 1076 H1' DT 13 H1' DT 13 9.737 -13.504 5.282 1077 H3 DT 13 H3 DT 13 11.971 -10.058 6.936 1078 H71 DT 13 H71 DT 13 10.959 -12.408 11.181 1079 H72 DT 13 H72 DT 13 9.205 -12.138 11.042 1080 H73 DT 13 H73 DT 13 10.309 -10.751 11.212 1081 H6 DT 13 H6 DT 13 8.963 -13.209 8.887 1082 H5' DT 14 H5' DT 14 9.601 -13.953 3.399 1083 H5'' DT 14 H5'' DT 14 8.907 -15.243 2.399 1084 H4' DT 14 H4' DT 14 10.528 -14.489 1.003 1085 H3' DT 14 H3' DT 14 11.107 -16.946 1.853 1086 H2' DT 14 H2' DT 14 12.482 -16.503 3.730 1087 H2'' DT 14 H2'' DT 14 13.739 -16.454 2.506 1088 H1' DT 14 H1' DT 14 13.890 -14.161 2.481 1089 H3 DT 14 H3 DT 14 14.845 -11.941 6.197 1090 H71 DT 14 H71 DT 14 12.630 -15.040 8.782 1091 H72 DT 14 H72 DT 14 11.045 -14.616 8.096 1092 H73 DT 14 H73 DT 14 11.849 -16.127 7.612 1093 H6 DT 14 H6 DT 14 11.830 -15.516 5.239 1094 H5' DT 15 H5' DT 15 14.071 -13.961 0.661 1095 H5'' DT 15 H5'' DT 15 13.977 -14.436 -1.044 1096 H4' DT 15 H4' DT 15 15.737 -13.044 -1.173 1097 H3' DT 15 H3' DT 15 16.601 -15.530 -1.526 1098 H2' DT 15 H2' DT 15 17.201 -16.126 0.697 1099 H2'' DT 15 H2'' DT 15 18.730 -15.433 0.187 1100 H1' DT 15 H1' DT 15 18.397 -13.428 1.322 1101 H3 DT 15 H3 DT 15 17.881 -13.548 5.727 1102 H71 DT 15 H71 DT 15 15.012 -17.622 3.631 1103 H72 DT 15 H72 DT 15 15.901 -17.836 5.157 1104 H73 DT 15 H73 DT 15 14.426 -16.841 5.120 1105 H6 DT 15 H6 DT 15 15.971 -16.094 2.171 1106 H5' DA 16 H5' DA 16 19.132 -12.011 0.258 1107 H5'' DA 16 H5'' DA 16 19.751 -11.706 -1.376 1108 H4' DA 16 H4' DA 16 21.242 -10.533 -0.112 1109 H3' DA 16 H3' DA 16 22.402 -12.561 -1.378 1110 HO3' DA 16 HO3' DA 16 23.273 -10.457 -0.745 1111 H2' DA 16 H2' DA 16 22.303 -14.264 0.276 1112 H2'' DA 16 H2'' DA 16 23.837 -13.538 0.730 1113 H1' DA 16 H1' DA 16 22.937 -12.393 2.559 1114 H8 DA 16 H8 DA 16 20.524 -15.086 1.194 1115 H61 DA 16 H61 DA 16 19.348 -17.049 5.480 1116 H62 DA 16 H62 DA 16 19.717 -16.629 7.139 1117 H2 DA 16 H2 DA 16 22.261 -12.938 6.992 1118 H5' DT 17 H5' DT 17 23.264 -16.329 14.538 1119 H5'' DT 17 H5'' DT 17 23.049 -15.750 16.201 1120 H4' DT 17 H4' DT 17 23.922 -13.900 15.192 1121 H3' DT 17 H3' DT 17 21.422 -13.475 16.016 1122 H2' DT 17 H2' DT 17 20.212 -14.023 14.043 1123 H2'' DT 17 H2'' DT 17 20.475 -12.316 13.732 1124 H1' DT 17 H1' DT 17 22.221 -12.684 12.217 1125 H3 DT 17 H3 DT 17 21.001 -14.895 8.546 1126 H71 DT 17 H71 DT 17 18.833 -18.184 10.863 1127 H72 DT 17 H72 DT 17 19.919 -18.360 12.261 1128 H73 DT 17 H73 DT 17 18.456 -17.357 12.392 1129 H6 DT 17 H6 DT 17 20.523 -15.827 13.203 1130 HO5' DT 17 HO5' DT 17 20.832 -15.166 15.419 1131 H5' DA 18 H5' DA 18 23.472 -11.112 12.207 1132 H5'' DA 18 H5'' DA 18 23.839 -9.926 13.476 1133 H4' DA 18 H4' DA 18 24.019 -8.680 11.552 1134 H3' DA 18 H3' DA 18 22.102 -7.806 13.176 1135 H2' DA 18 H2' DA 18 20.209 -8.941 12.331 1136 H2'' DA 18 H2'' DA 18 20.134 -7.540 11.275 1137 H1' DA 18 H1' DA 18 20.983 -8.659 9.436 1138 H8 DA 18 H8 DA 18 19.958 -11.034 12.293 1139 H61 DA 18 H61 DA 18 17.595 -14.280 9.572 1140 H62 DA 18 H62 DA 18 17.375 -14.495 7.851 1141 H2 DA 18 H2 DA 18 19.643 -11.136 5.884 1142 H5' DA 19 H5' DA 19 22.239 -7.512 8.652 1143 H5'' DA 19 H5'' DA 19 23.020 -5.925 8.773 1144 H4' DA 19 H4' DA 19 22.478 -5.983 6.559 1145 H3' DA 19 H3' DA 19 21.147 -4.069 7.826 1146 H2' DA 19 H2' DA 19 19.158 -5.231 8.430 1147 H2'' DA 19 H2'' DA 19 18.648 -4.632 6.860 1148 H1' DA 19 H1' DA 19 18.946 -6.671 5.788 1149 H8 DA 19 H8 DA 19 19.022 -7.028 9.639 1150 H61 DA 19 H61 DA 19 15.846 -10.682 9.940 1151 H62 DA 19 H62 DA 19 15.030 -11.684 8.760 1152 H2 DA 19 H2 DA 19 16.441 -10.262 4.730 1153 H5' DA 20 H5' DA 20 19.608 -6.323 3.820 1154 H5'' DA 20 H5'' DA 20 20.275 -4.913 2.973 1155 H4' DA 20 H4' DA 20 18.885 -5.854 1.395 1156 H3' DA 20 H3' DA 20 18.172 -3.375 2.044 1157 H2' DA 20 H2' DA 20 16.614 -3.795 3.802 1158 H2'' DA 20 H2'' DA 20 15.499 -3.871 2.447 1159 H1' DA 20 H1' DA 20 15.375 -6.179 2.442 1160 H8 DA 20 H8 DA 20 17.043 -4.886 5.690 1161 H61 DA 20 H61 DA 20 14.389 -7.550 8.775 1162 H62 DA 20 H62 DA 20 13.195 -8.808 8.559 1163 H2 DA 20 H2 DA 20 12.771 -9.411 4.125 1164 H5' DT 21 H5' DT 21 15.167 -6.574 0.428 1165 H5'' DT 21 H5'' DT 21 15.339 -5.892 -1.200 1166 H4' DT 21 H4' DT 21 13.464 -7.157 -1.456 1167 H3' DT 21 H3' DT 21 12.909 -4.558 -1.713 1168 H2' DT 21 H2' DT 21 12.225 -4.039 0.514 1169 H2'' DT 21 H2'' DT 21 10.672 -4.519 -0.149 1170 H1' DT 21 H1' DT 21 10.728 -6.649 0.823 1171 H3 DT 21 H3 DT 21 10.749 -6.782 5.269 1172 H71 DT 21 H71 DT 21 13.276 -2.785 5.235 1173 H72 DT 21 H72 DT 21 14.651 -3.909 5.139 1174 H73 DT 21 H73 DT 21 14.205 -2.925 3.724 1175 H6 DT 21 H6 DT 21 13.311 -4.318 2.085 1176 H5' DA 22 H5' DA 22 9.217 -7.868 -0.940 1177 H5'' DA 22 H5'' DA 22 8.881 -7.596 -2.661 1178 H4' DA 22 H4' DA 22 6.877 -8.399 -1.870 1179 H3' DA 22 H3' DA 22 6.701 -5.906 -2.830 1180 H2' DA 22 H2' DA 22 6.890 -4.602 -0.871 1181 H2'' DA 22 H2'' DA 22 5.171 -4.932 -0.739 1182 H1' DA 22 H1' DA 22 5.400 -6.499 0.910 1183 H8 DA 22 H8 DA 22 8.679 -4.531 0.341 1184 H61 DA 22 H61 DA 22 9.651 -3.746 5.023 1185 H62 DA 22 H62 DA 22 8.936 -4.291 6.519 1186 H2 DA 22 H2 DA 22 5.495 -6.961 5.346 1187 H5' DT 23 H5' DT 23 4.356 -7.791 0.175 1188 H5'' DT 23 H5'' DT 23 3.055 -8.430 -0.844 1189 H4' DT 23 H4' DT 23 2.265 -8.875 1.252 1190 H3' DT 23 H3' DT 23 0.741 -7.124 -0.081 1191 H2' DT 23 H2' DT 23 1.516 -5.055 0.758 1192 H2'' DT 23 H2'' DT 23 0.368 -5.405 2.040 1193 H1' DT 23 H1' DT 23 1.977 -6.063 3.551 1194 H3 DT 23 H3 DT 23 4.992 -3.057 4.705 1195 H71 DT 23 H71 DT 23 4.599 -2.928 -0.677 1196 H72 DT 23 H72 DT 23 6.238 -2.790 0.005 1197 H73 DT 23 H73 DT 23 5.052 -1.492 0.270 1198 H6 DT 23 H6 DT 23 3.492 -4.645 0.464 1199 H5' DC 24 H5' DC 24 1.090 -7.482 4.310 1200 H5'' DC 24 H5'' DC 24 -0.288 -8.582 4.514 1201 H4' DC 24 H4' DC 24 0.162 -7.932 6.674 1202 H3' DC 24 H3' DC 24 -2.255 -7.187 5.787 1203 H2' DC 24 H2' DC 24 -1.888 -4.941 5.158 1204 H2'' DC 24 H2'' DC 24 -2.167 -4.651 6.868 1205 H1' DC 24 H1' DC 24 0.074 -4.353 7.362 1206 H41 DC 24 H41 DC 24 1.540 -1.013 1.814 1207 H42 DC 24 H42 DC 24 2.371 -0.214 3.124 1208 H5 DC 24 H5 DC 24 0.238 -3.047 2.110 1209 H6 DC 24 H6 DC 24 -0.556 -4.690 3.724 1210 H5' DG 25 H5' DG 25 -0.471 -4.113 9.399 1211 H5'' DG 25 H5'' DG 25 -1.274 -5.320 10.424 1212 H4' DG 25 H4' DG 25 -1.607 -3.456 11.673 1213 H3' DG 25 H3' DG 25 -3.908 -4.348 10.655 1214 H2' DG 25 H2' DG 25 -4.125 -3.037 8.707 1215 H2'' DG 25 H2'' DG 25 -4.841 -1.887 9.823 1216 H1' DG 25 H1' DG 25 -2.984 -0.534 9.927 1217 H8 DG 25 H8 DG 25 -3.579 -2.604 6.908 1218 H1 DG 25 H1 DG 25 0.632 2.154 5.937 1219 H21 DG 25 H21 DG 25 0.696 2.343 9.405 1220 H22 DG 25 H22 DG 25 1.309 2.975 7.896 1221 H5' DT 26 H5' DT 26 -2.804 -0.311 12.011 1222 H5'' DT 26 H5'' DT 26 -3.401 -0.679 13.642 1223 H4' DT 26 H4' DT 26 -2.982 1.510 13.937 1224 H3' DT 26 H3' DT 26 -5.630 1.199 13.852 1225 H2' DT 26 H2' DT 26 -6.078 1.615 11.556 1226 H2'' DT 26 H2'' DT 26 -6.133 3.276 12.120 1227 H1' DT 26 H1' DT 26 -4.039 3.817 11.304 1228 H3 DT 26 H3 DT 26 -3.047 3.228 6.983 1229 H71 DT 26 H71 DT 26 -5.217 -0.974 7.048 1230 H72 DT 26 H72 DT 26 -6.681 0.036 7.091 1231 H73 DT 26 H73 DT 26 -6.190 -0.879 8.535 1232 H6 DT 26 H6 DT 26 -5.502 0.647 10.151 1233 H5' DT 27 H5' DT 27 -3.508 5.091 12.881 1234 H5'' DT 27 H5'' DT 27 -3.684 5.583 14.577 1235 H4' DT 27 H4' DT 27 -3.021 7.545 13.677 1236 H3' DT 27 H3' DT 27 -5.559 7.723 14.453 1237 H2' DT 27 H2' DT 27 -6.708 7.211 12.445 1238 H2'' DT 27 H2'' DT 27 -6.515 8.935 12.182 1239 H1' DT 27 H1' DT 27 -4.777 8.689 10.662 1240 H3 DT 27 H3 DT 27 -5.396 6.220 7.001 1241 H71 DT 27 H71 DT 27 -8.533 3.674 9.473 1242 H72 DT 27 H72 DT 27 -7.866 3.743 11.120 1243 H73 DT 27 H73 DT 27 -7.089 2.723 9.887 1244 H6 DT 27 H6 DT 27 -6.511 5.570 11.591 1245 H5' DA 28 H5' DA 28 -3.561 10.067 11.149 1246 H5'' DA 28 H5'' DA 28 -3.177 11.364 12.297 1247 H4' DA 28 H4' DA 28 -2.716 12.386 10.311 1248 H3' DA 28 H3' DA 28 -4.755 13.535 11.552 1249 H2' DA 28 H2' DA 28 -6.597 12.377 10.610 1250 H2'' DA 28 H2'' DA 28 -6.465 13.656 9.414 1251 H1' DA 28 H1' DA 28 -5.455 12.301 7.822 1252 H8 DA 28 H8 DA 28 -6.853 10.220 10.758 1253 H61 DA 28 H61 DA 28 -9.094 6.837 8.090 1254 H62 DA 28 H62 DA 28 -9.173 6.513 6.374 1255 H2 DA 28 H2 DA 28 -6.665 9.651 4.368 1256 H5' DT 29 H5' DT 29 -4.524 13.659 6.966 1257 H5'' DT 29 H5'' DT 29 -3.647 15.197 7.051 1258 H4' DT 29 H4' DT 29 -4.299 15.303 4.897 1259 H3' DT 29 H3' DT 29 -5.708 17.089 6.278 1260 H2' DT 29 H2' DT 29 -7.620 15.786 6.856 1261 H2'' DT 29 H2'' DT 29 -8.186 16.428 5.325 1262 H1' DT 29 H1' DT 29 -7.770 14.477 4.141 1263 H3 DT 29 H3 DT 29 -9.929 10.785 5.370 1264 H71 DT 29 H71 DT 29 -10.150 12.592 9.724 1265 H72 DT 29 H72 DT 29 -8.590 11.763 9.930 1266 H73 DT 29 H73 DT 29 -8.647 13.539 9.835 1267 H6 DT 29 H6 DT 29 -7.681 14.207 7.818 1268 H5' DC 30 H5' DC 30 -7.081 15.085 2.507 1269 H5'' DC 30 H5'' DC 30 -6.364 16.401 1.560 1270 H4' DC 30 H4' DC 30 -7.508 15.288 -0.063 1271 H3' DC 30 H3' DC 30 -8.549 17.702 0.330 1272 H2' DC 30 H2' DC 30 -10.232 17.231 1.939 1273 H2'' DC 30 H2'' DC 30 -11.178 16.942 0.488 1274 H1' DC 30 H1' DC 30 -11.061 14.633 0.660 1275 H41 DC 30 H41 DC 30 -11.951 14.399 7.221 1276 H42 DC 30 H42 DC 30 -12.803 13.049 6.528 1277 H5 DC 30 H5 DC 30 -10.588 15.933 5.876 1278 H6 DC 30 H6 DC 30 -9.775 16.424 3.632 1279 H5' DT 31 H5' DT 31 -11.125 14.184 -1.154 1280 H5'' DT 31 H5'' DT 31 -10.669 14.649 -2.804 1281 H4' DT 31 H4' DT 31 -12.397 13.282 -3.292 1282 H3' DT 31 H3' DT 31 -13.099 15.778 -3.839 1283 H2' DT 31 H2' DT 31 -14.095 16.447 -1.788 1284 H2'' DT 31 H2'' DT 31 -15.522 15.785 -2.568 1285 H1' DT 31 H1' DT 31 -15.490 13.818 -1.335 1286 H3 DT 31 H3 DT 31 -15.585 13.872 3.110 1287 H71 DT 31 H71 DT 31 -12.635 18.078 1.456 1288 H72 DT 31 H72 DT 31 -13.620 18.151 2.935 1289 H73 DT 31 H73 DT 31 -12.090 17.243 2.929 1290 H6 DT 31 H6 DT 31 -13.236 16.478 -0.124 1291 H5' DT 32 H5' DT 32 -16.221 12.664 -2.675 1292 H5'' DT 32 H5'' DT 32 -16.559 12.258 -4.369 1293 H4' DT 32 H4' DT 32 -18.387 11.347 -3.419 1294 H3' DT 32 H3' DT 32 -19.103 13.502 -4.808 1295 HO3' DT 32 HO3' DT 32 -20.490 11.853 -4.793 1296 H2' DT 32 H2' DT 32 -19.082 15.167 -3.108 1297 H2'' DT 32 H2'' DT 32 -20.739 14.615 -2.934 1298 H1' DT 32 H1' DT 32 -20.283 13.324 -1.032 1299 H3 DT 32 H3 DT 32 -18.557 15.251 2.609 1300 H71 DT 32 H71 DT 32 -16.143 17.459 -1.681 1301 H72 DT 32 H72 DT 32 -15.559 17.734 -0.022 1302 H73 DT 32 H73 DT 32 -17.011 18.580 -0.606 1303 H6 DT 32 H6 DT 32 -17.709 15.742 -2.061 Start of MODEL 4 1 H1 LYS 1 H1 LYS 1 3.255 16.612 8.109 2 H2 LYS 1 H2 LYS 1 2.331 17.695 9.021 3 H3 LYS 1 H3 LYS 1 1.611 16.816 7.774 4 HA LYS 1 HA LYS 1 2.825 15.605 10.188 5 HB2 LYS 1 HB3 LYS 1 0.898 17.005 10.777 6 HB3 LYS 1 HB2 LYS 1 -0.097 16.130 9.589 7 HG2 LYS 1 HG3 LYS 1 1.249 14.472 11.646 8 HG3 LYS 1 HG2 LYS 1 -0.043 15.553 12.220 9 HD2 LYS 1 HD3 LYS 1 -1.672 14.510 10.919 10 HD3 LYS 1 HD2 LYS 1 -0.475 13.812 9.802 11 HE2 LYS 1 HE3 LYS 1 -1.194 11.981 11.065 12 HE3 LYS 1 HE2 LYS 1 0.339 12.457 11.837 13 HZ1 LYS 1 HZ1 LYS 1 -2.407 13.089 12.805 14 HZ2 LYS 1 HZ2 LYS 1 -0.985 13.681 13.503 15 HZ3 LYS 1 HZ3 LYS 1 -1.299 12.020 13.506 16 H VAL 2 H VAL 2 0.532 15.150 7.464 17 HA VAL 2 HA VAL 2 0.657 12.283 7.679 18 HB VAL 2 HB VAL 2 -0.648 12.241 5.595 19 HG11 VAL 2 HG11 VAL 2 -2.644 13.408 6.428 20 HG12 VAL 2 HG12 VAL 2 -1.635 14.275 7.610 21 HG13 VAL 2 HG13 VAL 2 -1.809 12.507 7.716 22 HG21 VAL 2 HG21 VAL 2 -0.317 15.258 5.620 23 HG22 VAL 2 HG22 VAL 2 -1.385 14.338 4.533 24 HG23 VAL 2 HG23 VAL 2 0.380 14.128 4.434 25 H LYS 3 H LYS 3 2.714 14.588 6.335 26 HA LYS 3 HA LYS 3 4.534 14.522 5.026 27 HB2 LYS 3 HB3 LYS 3 4.270 11.559 5.511 28 HB3 LYS 3 HB2 LYS 3 5.618 12.295 4.612 29 HG2 LYS 3 HG3 LYS 3 6.464 13.365 6.501 30 HG3 LYS 3 HG2 LYS 3 4.920 13.250 7.380 31 HD2 LYS 3 HD3 LYS 3 5.211 10.799 7.528 32 HD3 LYS 3 HD2 LYS 3 6.782 10.951 6.705 33 HE2 LYS 3 HE3 LYS 3 7.697 12.222 8.514 34 HE3 LYS 3 HE2 LYS 3 6.100 12.391 9.282 35 HZ1 LYS 3 HZ1 LYS 3 7.499 10.709 10.353 36 HZ2 LYS 3 HZ2 LYS 3 7.550 9.814 8.913 37 HZ3 LYS 3 HZ3 LYS 3 6.080 10.040 9.724 38 H PHE 4 H PHE 4 5.379 13.956 2.911 39 HA PHE 4 HA PHE 4 5.213 13.837 0.656 40 HB2 PHE 4 HB3 PHE 4 4.225 11.517 1.386 41 HB3 PHE 4 HB2 PHE 4 2.708 12.215 0.771 42 HD1 PHE 4 HD1 PHE 4 6.293 11.823 -0.250 43 HD2 PHE 4 HD2 PHE 4 2.192 11.883 -1.454 44 HE1 PHE 4 HE1 PHE 4 6.966 11.246 -2.550 45 HE2 PHE 4 HE2 PHE 4 2.860 11.309 -3.757 46 HZ PHE 4 HZ PHE 4 5.248 10.989 -4.311 47 H THR 5 H THR 5 3.574 14.146 -1.217 48 HA THR 5 HA THR 5 1.191 15.486 -1.012 49 HB THR 5 HB THR 5 2.530 17.189 0.314 50 HG1 THR 5 HG1 THR 5 0.807 18.179 -0.450 51 HG21 THR 5 HG21 THR 5 4.625 17.087 -0.963 52 HG22 THR 5 HG22 THR 5 3.969 18.741 -0.945 53 HG23 THR 5 HG23 THR 5 3.790 17.728 -2.398 54 H GLU 6 H GLU 6 0.998 17.076 -3.032 55 HA GLU 6 HA GLU 6 1.445 15.481 -5.319 56 HB2 GLU 6 HB3 GLU 6 0.816 18.443 -5.189 57 HB3 GLU 6 HB2 GLU 6 0.575 17.365 -6.584 58 HG2 GLU 6 HG3 GLU 6 -1.211 16.261 -5.583 59 HG3 GLU 6 HG2 GLU 6 -0.755 16.801 -3.949 60 H GLU 7 H GLU 7 3.128 18.379 -4.121 61 HA GLU 7 HA GLU 7 4.845 18.876 -6.231 62 HB2 GLU 7 HB3 GLU 7 5.663 19.057 -3.325 63 HB3 GLU 7 HB2 GLU 7 6.243 20.034 -4.695 64 HG2 GLU 7 HG3 GLU 7 4.140 21.166 -4.862 65 HG3 GLU 7 HG2 GLU 7 3.405 20.081 -3.657 66 H GLU 8 H GLU 8 5.396 16.697 -3.470 67 HA GLU 8 HA GLU 8 7.962 15.848 -4.382 68 HB2 GLU 8 HB3 GLU 8 6.134 15.152 -2.164 69 HB3 GLU 8 HB2 GLU 8 7.260 13.876 -2.686 70 HG2 GLU 8 HG3 GLU 8 8.139 15.224 -0.824 71 HG3 GLU 8 HG2 GLU 8 9.153 15.320 -2.284 72 H ASP 9 H ASP 9 4.695 14.681 -4.903 73 HA ASP 9 HA ASP 9 5.293 12.093 -5.853 74 HB2 ASP 9 HB3 ASP 9 3.023 12.565 -5.379 75 HB3 ASP 9 HB2 ASP 9 3.021 14.010 -6.419 76 H LEU 10 H LEU 10 4.913 15.166 -7.593 77 HA LEU 10 HA LEU 10 5.462 14.172 -10.176 78 HB2 LEU 10 HB3 LEU 10 6.077 16.942 -9.120 79 HB3 LEU 10 HB2 LEU 10 5.847 16.463 -10.819 80 HG LEU 10 HG LEU 10 3.716 16.443 -8.670 81 HD11 LEU 10 HD11 LEU 10 2.764 18.345 -9.910 82 HD12 LEU 10 HD12 LEU 10 4.175 18.336 -10.995 83 HD13 LEU 10 HD13 LEU 10 4.383 18.713 -9.268 84 HD21 LEU 10 HD21 LEU 10 3.543 15.930 -11.657 85 HD22 LEU 10 HD22 LEU 10 2.162 16.043 -10.540 86 HD23 LEU 10 HD23 LEU 10 3.342 14.722 -10.366 87 H LYS 11 H LYS 11 7.567 15.352 -7.600 88 HA LYS 11 HA LYS 11 9.985 15.425 -9.083 89 HB2 LYS 11 HB3 LYS 11 9.449 15.030 -6.128 90 HB3 LYS 11 HB2 LYS 11 11.077 15.212 -6.825 91 HG2 LYS 11 HG3 LYS 11 10.492 17.445 -7.625 92 HG3 LYS 11 HG2 LYS 11 8.855 17.265 -6.947 93 HD2 LYS 11 HD3 LYS 11 9.874 16.933 -4.700 94 HD3 LYS 11 HD2 LYS 11 11.473 17.255 -5.414 95 HE2 LYS 11 HE3 LYS 11 10.823 19.497 -6.008 96 HE3 LYS 11 HE2 LYS 11 9.141 19.189 -5.513 97 HZ1 LYS 11 HZ1 LYS 11 11.527 19.239 -3.736 98 HZ2 LYS 11 HZ2 LYS 11 9.958 18.825 -3.239 99 HZ3 LYS 11 HZ3 LYS 11 10.287 20.390 -3.799 100 H LEU 12 H LEU 12 8.300 12.883 -7.342 101 HA LEU 12 HA LEU 12 10.330 10.960 -7.224 102 HB2 LEU 12 HB3 LEU 12 8.020 10.912 -6.153 103 HB3 LEU 12 HB2 LEU 12 7.434 10.291 -7.715 104 HG LEU 12 HG LEU 12 8.933 8.356 -7.492 105 HD11 LEU 12 HD11 LEU 12 10.041 7.906 -5.336 106 HD12 LEU 12 HD12 LEU 12 9.545 9.512 -4.751 107 HD13 LEU 12 HD13 LEU 12 10.682 9.373 -6.113 108 HD21 LEU 12 HD21 LEU 12 7.105 8.818 -5.118 109 HD22 LEU 12 HD22 LEU 12 7.695 7.237 -5.684 110 HD23 LEU 12 HD23 LEU 12 6.623 8.210 -6.719 111 H GLN 13 H GLN 13 7.891 11.480 -9.782 112 HA GLN 13 HA GLN 13 8.700 9.418 -11.486 113 HB2 GLN 13 HB3 GLN 13 6.632 10.638 -11.837 114 HB3 GLN 13 HB2 GLN 13 7.540 12.125 -12.201 115 HG2 GLN 13 HG3 GLN 13 6.688 11.095 -14.232 116 HG3 GLN 13 HG2 GLN 13 8.468 11.082 -14.204 117 HE21 GLN 13 HE22 GLN 13 9.546 9.126 -13.960 118 HE22 GLN 13 HE21 GLN 13 8.765 7.603 -14.226 119 H GLN 14 H GLN 14 10.030 12.672 -11.102 120 HA GLN 14 HA GLN 14 11.794 12.479 -13.359 121 HB2 GLN 14 HB3 GLN 14 11.832 14.325 -10.956 122 HB3 GLN 14 HB2 GLN 14 12.884 14.482 -12.384 123 HG2 GLN 14 HG3 GLN 14 9.862 14.564 -12.473 124 HG3 GLN 14 HG2 GLN 14 10.905 16.003 -12.370 125 HE21 GLN 14 HE22 GLN 14 9.019 14.980 -14.463 126 HE22 GLN 14 HE21 GLN 14 9.946 14.967 -15.925 127 H LEU 15 H LEU 15 12.105 11.919 -9.882 128 HA LEU 15 HA LEU 15 14.913 11.416 -9.932 129 HB2 LEU 15 HB3 LEU 15 12.726 11.209 -7.965 130 HB3 LEU 15 HB2 LEU 15 14.086 10.086 -7.720 131 HG LEU 15 HG LEU 15 15.635 11.900 -7.511 132 HD11 LEU 15 HD11 LEU 15 14.932 14.258 -7.622 133 HD12 LEU 15 HD12 LEU 15 13.302 13.744 -8.117 134 HD13 LEU 15 HD13 LEU 15 14.695 13.424 -9.177 135 HD21 LEU 15 HD21 LEU 15 13.117 12.451 -5.912 136 HD22 LEU 15 HD22 LEU 15 14.752 13.025 -5.507 137 HD23 LEU 15 HD23 LEU 15 14.394 11.281 -5.502 138 H VAL 16 H VAL 16 12.074 9.293 -10.058 139 HA VAL 16 HA VAL 16 13.477 6.832 -9.994 140 HB VAL 16 HB VAL 16 10.772 7.525 -11.202 141 HG11 VAL 16 HG11 VAL 16 10.293 5.111 -11.140 142 HG12 VAL 16 HG12 VAL 16 11.969 4.793 -10.634 143 HG13 VAL 16 HG13 VAL 16 11.640 5.485 -12.240 144 HG21 VAL 16 HG21 VAL 16 11.545 6.243 -8.563 145 HG22 VAL 16 HG22 VAL 16 9.884 6.479 -9.154 146 HG23 VAL 16 HG23 VAL 16 10.908 7.889 -8.792 147 H MET 17 H MET 17 12.773 9.103 -12.546 148 HA MET 17 HA MET 17 13.445 7.363 -14.724 149 HB2 MET 17 HB3 MET 17 12.047 9.375 -15.002 150 HB3 MET 17 HB2 MET 17 13.448 10.394 -14.591 151 HG2 MET 17 HG3 MET 17 14.626 9.522 -16.582 152 HG3 MET 17 HG2 MET 17 13.169 8.591 -17.007 153 HE1 MET 17 HE1 MET 17 13.226 11.486 -19.686 154 HE2 MET 17 HE2 MET 17 13.195 9.726 -19.428 155 HE3 MET 17 HE3 MET 17 14.638 10.666 -18.979 156 H ARG 18 H ARG 18 15.224 9.588 -12.673 157 HA ARG 18 HA ARG 18 17.654 9.355 -14.223 158 HB2 ARG 18 HB3 ARG 18 16.854 10.801 -11.721 159 HB3 ARG 18 HB2 ARG 18 18.573 10.620 -12.146 160 HG2 ARG 18 HG3 ARG 18 18.381 11.948 -14.036 161 HG3 ARG 18 HG2 ARG 18 16.619 11.716 -14.146 162 HD2 ARG 18 HD3 ARG 18 17.450 13.995 -13.329 163 HD3 ARG 18 HD2 ARG 18 16.199 13.187 -12.354 164 HE ARG 18 HE ARG 18 18.922 12.683 -11.495 165 HH11 ARG 18 HH11 ARG 18 16.135 14.786 -11.210 166 HH12 ARG 18 HH12 ARG 18 16.553 15.351 -9.625 167 HH21 ARG 18 HH22 ARG 18 19.483 13.433 -9.391 168 HH22 ARG 18 HH21 ARG 18 18.452 14.583 -8.595 169 H TYR 19 H TYR 19 16.579 8.167 -11.016 170 HA TYR 19 HA TYR 19 19.150 6.772 -10.733 171 HB2 TYR 19 HB3 TYR 19 16.872 7.147 -8.779 172 HB3 TYR 19 HB2 TYR 19 18.386 6.275 -8.435 173 HD1 TYR 19 HD2 TYR 19 20.582 7.588 -8.595 174 HD2 TYR 19 HD1 TYR 19 16.748 9.481 -8.480 175 HE1 TYR 19 HE2 TYR 19 21.648 9.702 -7.905 176 HE2 TYR 19 HE1 TYR 19 17.810 11.593 -7.786 177 HH TYR 19 HH TYR 19 21.251 12.024 -7.813 178 H GLY 20 H GLY 20 15.919 6.076 -11.629 179 HA2 GLY 20 HA3 GLY 20 15.324 4.003 -12.626 180 HA3 GLY 20 HA2 GLY 20 16.614 3.220 -11.682 181 H ALA 21 H ALA 21 14.966 1.646 -11.116 182 HA ALA 21 HA ALA 21 13.111 2.632 -9.029 183 HB1 ALA 21 HB1 ALA 21 11.702 0.671 -9.541 184 HB2 ALA 21 HB2 ALA 21 12.838 0.198 -10.827 185 HB3 ALA 21 HB3 ALA 21 11.920 1.717 -10.964 186 H LYS 22 H LYS 22 15.903 1.933 -8.685 187 HA LYS 22 HA LYS 22 15.550 -0.272 -6.771 188 HB2 LYS 22 HB3 LYS 22 16.662 -1.086 -8.840 189 HB3 LYS 22 HB2 LYS 22 17.995 0.049 -8.516 190 HG2 LYS 22 HG3 LYS 22 18.567 -1.109 -6.491 191 HG3 LYS 22 HG2 LYS 22 17.133 -2.155 -6.631 192 HD2 LYS 22 HD3 LYS 22 18.000 -3.268 -8.530 193 HD3 LYS 22 HD2 LYS 22 19.256 -2.031 -8.780 194 HE2 LYS 22 HE3 LYS 22 19.093 -3.917 -6.408 195 HE3 LYS 22 HE2 LYS 22 20.160 -4.123 -7.818 196 HZ1 LYS 22 HZ1 LYS 22 20.916 -1.733 -7.160 197 HZ2 LYS 22 HZ2 LYS 22 21.539 -3.074 -6.341 198 HZ3 LYS 22 HZ3 LYS 22 20.308 -2.155 -5.638 199 H ASP 23 H ASP 23 17.718 2.400 -7.740 200 HA ASP 23 HA ASP 23 18.888 2.516 -5.099 201 HB2 ASP 23 HB3 ASP 23 20.011 3.142 -7.351 202 HB3 ASP 23 HB2 ASP 23 19.179 4.702 -7.143 203 H TRP 24 H TRP 24 16.595 2.701 -4.229 204 HA TRP 24 HA TRP 24 15.373 5.316 -4.343 205 HB2 TRP 24 HB3 TRP 24 14.859 2.951 -2.513 206 HB3 TRP 24 HB2 TRP 24 13.864 4.424 -2.598 207 HD1 TRP 24 HD1 TRP 24 14.613 1.180 -4.493 208 HE1 TRP 24 HE1 TRP 24 12.896 0.909 -6.388 209 HE3 TRP 24 HE3 TRP 24 12.341 5.758 -4.189 210 HZ2 TRP 24 HZ2 TRP 24 10.848 2.403 -7.594 211 HZ3 TRP 24 HZ3 TRP 24 10.497 6.267 -5.755 212 HH2 TRP 24 HH2 TRP 24 9.765 4.613 -7.429 213 H ILE 25 H ILE 25 17.955 3.926 -2.708 214 HA ILE 25 HA ILE 25 17.834 5.265 -0.204 215 HB ILE 25 HB ILE 25 20.428 4.559 -1.603 216 HG12 ILE 25 HG12 ILE 25 18.632 2.614 -0.120 217 HG13 ILE 25 HG13 ILE 25 18.770 2.701 -1.892 218 HG21 ILE 25 HG21 ILE 25 21.125 4.013 0.700 219 HG22 ILE 25 HG22 ILE 25 19.501 4.440 1.290 220 HG23 ILE 25 HG23 ILE 25 20.545 5.691 0.573 221 HD11 ILE 25 HD11 ILE 25 21.151 2.139 -1.735 222 HD12 ILE 25 HD12 ILE 25 20.132 0.889 -0.982 223 HD13 ILE 25 HD13 ILE 25 21.013 2.052 0.038 224 H ARG 26 H ARG 26 19.172 6.068 -3.379 225 HA ARG 26 HA ARG 26 20.422 8.497 -2.595 226 HB2 ARG 26 HB3 ARG 26 20.110 6.995 -4.978 227 HB3 ARG 26 HB2 ARG 26 19.510 8.638 -5.312 228 HG2 ARG 26 HG3 ARG 26 21.670 9.068 -5.762 229 HG3 ARG 26 HG2 ARG 26 21.813 9.202 -3.992 230 HD2 ARG 26 HD3 ARG 26 22.470 6.818 -5.738 231 HD3 ARG 26 HD2 ARG 26 23.588 7.798 -4.759 232 HE ARG 26 HE ARG 26 21.758 5.718 -3.815 233 HH11 ARG 26 HH11 ARG 26 24.043 8.259 -3.035 234 HH12 ARG 26 HH12 ARG 26 24.368 7.666 -1.438 235 HH21 ARG 26 HH22 ARG 26 22.205 4.922 -1.703 236 HH22 ARG 26 HH21 ARG 26 23.312 5.774 -0.673 237 H ILE 27 H ILE 27 17.147 7.633 -3.307 238 HA ILE 27 HA ILE 27 16.239 10.381 -3.618 239 HB ILE 27 HB ILE 27 14.683 7.772 -3.331 240 HG12 ILE 27 HG12 ILE 27 15.269 9.412 -5.812 241 HG13 ILE 27 HG13 ILE 27 16.167 7.952 -5.330 242 HG21 ILE 27 HG21 ILE 27 12.769 9.043 -4.217 243 HG22 ILE 27 HG22 ILE 27 13.746 10.529 -4.192 244 HG23 ILE 27 HG23 ILE 27 13.336 9.708 -2.668 245 HD11 ILE 27 HD11 ILE 27 14.117 6.625 -5.528 246 HD12 ILE 27 HD12 ILE 27 14.513 7.451 -7.054 247 HD13 ILE 27 HD13 ILE 27 13.219 8.085 -6.009 248 H SER 28 H SER 28 16.777 8.056 -1.160 249 HA SER 28 HA SER 28 14.990 9.212 0.795 250 HB2 SER 28 HB3 SER 28 17.217 7.189 1.201 251 HB3 SER 28 HB2 SER 28 15.906 7.580 2.340 252 HG SER 28 HG SER 28 15.445 6.599 -0.299 253 H GLN 29 H GLN 29 17.768 10.320 -0.517 254 HA GLN 29 HA GLN 29 19.155 11.229 1.841 255 HB2 GLN 29 HB3 GLN 29 19.284 12.338 -0.984 256 HB3 GLN 29 HB2 GLN 29 20.462 12.601 0.326 257 HG2 GLN 29 HG3 GLN 29 21.009 10.199 0.284 258 HG3 GLN 29 HG2 GLN 29 19.876 9.983 -1.072 259 HE21 GLN 29 HE22 GLN 29 20.337 11.122 -3.050 260 HE22 GLN 29 HE21 GLN 29 21.974 11.499 -3.467 261 H LEU 30 H LEU 30 17.092 12.755 -0.621 262 HA LEU 30 HA LEU 30 16.801 15.220 0.827 263 HB2 LEU 30 HB3 LEU 30 14.993 14.175 -1.362 264 HB3 LEU 30 HB2 LEU 30 15.320 15.866 -0.912 265 HG LEU 30 HG LEU 30 17.381 14.023 -2.131 266 HD11 LEU 30 HD11 LEU 30 16.952 15.204 -4.250 267 HD12 LEU 30 HD12 LEU 30 15.595 16.067 -3.488 268 HD13 LEU 30 HD13 LEU 30 15.523 14.301 -3.695 269 HD21 LEU 30 HD21 LEU 30 17.257 17.035 -1.794 270 HD22 LEU 30 HD22 LEU 30 18.548 16.134 -2.622 271 HD23 LEU 30 HD23 LEU 30 18.288 15.913 -0.876 272 H MET 31 H MET 31 15.113 12.181 0.594 273 HA MET 31 HA MET 31 12.970 13.175 2.375 274 HB2 MET 31 HB3 MET 31 13.016 10.634 0.716 275 HB3 MET 31 HB2 MET 31 11.638 11.306 1.621 276 HG2 MET 31 HG3 MET 31 11.604 13.242 0.110 277 HG3 MET 31 HG2 MET 31 12.962 12.543 -0.804 278 HE1 MET 31 HE1 MET 31 10.018 12.057 -3.324 279 HE2 MET 31 HE2 MET 31 11.676 12.658 -3.087 280 HE3 MET 31 HE3 MET 31 10.316 13.446 -2.253 281 H ILE 32 H ILE 32 14.006 12.950 4.342 282 HA ILE 32 HA ILE 32 15.268 10.374 4.971 283 HB ILE 32 HB ILE 32 16.521 12.416 5.552 284 HG12 ILE 32 HG12 ILE 32 15.589 10.908 8.010 285 HG13 ILE 32 HG13 ILE 32 16.798 10.321 6.841 286 HG21 ILE 32 HG21 ILE 32 15.764 13.861 7.399 287 HG22 ILE 32 HG22 ILE 32 14.220 12.978 7.447 288 HG23 ILE 32 HG23 ILE 32 14.660 13.924 6.005 289 HD11 ILE 32 HD11 ILE 32 18.258 12.209 7.403 290 HD12 ILE 32 HD12 ILE 32 17.864 11.236 8.840 291 HD13 ILE 32 HD13 ILE 32 17.049 12.796 8.571 292 H THR 33 H THR 33 12.506 12.350 5.822 293 HA THR 33 HA THR 33 11.717 10.675 8.045 294 HB THR 33 HB THR 33 9.522 12.256 7.365 295 HG1 THR 33 HG1 THR 33 10.380 14.223 6.716 296 HG21 THR 33 HG21 THR 33 10.522 11.979 9.611 297 HG22 THR 33 HG22 THR 33 10.287 13.698 9.215 298 HG23 THR 33 HG23 THR 33 11.910 12.976 9.112 299 H ARG 34 H ARG 34 11.889 9.669 5.147 300 HA ARG 34 HA ARG 34 9.253 8.344 5.173 301 HB2 ARG 34 HB3 ARG 34 9.133 10.000 3.455 302 HB3 ARG 34 HB2 ARG 34 10.737 9.552 2.828 303 HG2 ARG 34 HG3 ARG 34 9.898 7.469 1.986 304 HG3 ARG 34 HG2 ARG 34 8.325 7.725 2.779 305 HD2 ARG 34 HD3 ARG 34 9.506 9.468 0.590 306 HD3 ARG 34 HD2 ARG 34 8.239 8.237 0.365 307 HE ARG 34 HE ARG 34 6.736 9.599 1.570 308 HH11 ARG 34 HH11 ARG 34 9.812 11.153 0.964 309 HH12 ARG 34 HH12 ARG 34 9.260 12.723 1.470 310 HH21 ARG 34 HH22 ARG 34 6.004 11.648 2.230 311 HH22 ARG 34 HH21 ARG 34 7.095 13.006 2.181 312 H ASN 35 H ASN 35 9.341 6.204 5.087 313 HA ASN 35 HA ASN 35 11.669 4.665 5.166 314 HB2 ASN 35 HB3 ASN 35 8.849 4.325 5.270 315 HB3 ASN 35 HB2 ASN 35 9.412 3.277 3.946 316 HD21 ASN 35 HD22 ASN 35 8.249 2.621 6.549 317 HD22 ASN 35 HD21 ASN 35 9.380 1.579 7.339 318 HA PRO 36 HA PRO 36 13.045 5.024 0.904 319 HB2 PRO 36 HB3 PRO 36 14.196 2.306 1.558 320 HB3 PRO 36 HB2 PRO 36 14.993 3.718 0.825 321 HG2 PRO 36 HG3 PRO 36 15.417 3.107 3.375 322 HG3 PRO 36 HG2 PRO 36 15.238 4.805 2.870 323 HD2 PRO 36 HD3 PRO 36 13.286 3.023 4.298 324 HD3 PRO 36 HD2 PRO 36 13.579 4.768 4.491 325 H ARG 37 H ARG 37 11.799 1.941 2.144 326 HA ARG 37 HA ARG 37 11.068 0.855 -0.381 327 HB2 ARG 37 HB3 ARG 37 10.451 0.206 2.479 328 HB3 ARG 37 HB2 ARG 37 9.513 -0.565 1.177 329 HG2 ARG 37 HG3 ARG 37 11.225 -1.889 0.549 330 HG3 ARG 37 HG2 ARG 37 12.447 -0.626 0.835 331 HD2 ARG 37 HD3 ARG 37 11.089 -1.695 3.243 332 HD3 ARG 37 HD2 ARG 37 12.156 -2.829 2.380 333 HE ARG 37 HE ARG 37 13.981 -1.309 2.749 334 HH11 ARG 37 HH11 ARG 37 11.044 -0.586 4.506 335 HH12 ARG 37 HH12 ARG 37 11.825 0.380 5.712 336 HH21 ARG 37 HH22 ARG 37 15.045 -0.053 4.362 337 HH22 ARG 37 HH21 ARG 37 14.113 0.676 5.631 338 H GLN 38 H GLN 38 9.554 3.106 1.777 339 HA GLN 38 HA GLN 38 6.908 2.710 0.739 340 HB2 GLN 38 HB3 GLN 38 8.120 4.423 2.782 341 HB3 GLN 38 HB2 GLN 38 6.798 5.192 1.871 342 HG2 GLN 38 HG3 GLN 38 6.127 3.970 3.979 343 HG3 GLN 38 HG2 GLN 38 5.254 3.508 2.498 344 HE21 GLN 38 HE22 GLN 38 4.732 1.450 2.898 345 HE22 GLN 38 HE21 GLN 38 5.871 0.190 3.240 346 H CYS 39 H CYS 39 9.655 4.720 -0.085 347 HA CYS 39 HA CYS 39 8.311 6.470 -1.878 348 HB2 CYS 39 HB3 CYS 39 11.129 5.412 -2.231 349 HB3 CYS 39 HB2 CYS 39 10.468 6.983 -2.744 350 HG CYS 39 HG CYS 39 12.099 7.727 -0.727 351 H ARG 40 H ARG 40 9.723 3.268 -2.118 352 HA ARG 40 HA ARG 40 9.351 2.866 -4.916 353 HB2 ARG 40 HB3 ARG 40 10.922 1.509 -3.650 354 HB3 ARG 40 HB2 ARG 40 9.612 0.913 -2.601 355 HG2 ARG 40 HG3 ARG 40 8.923 -0.623 -4.105 356 HG3 ARG 40 HG2 ARG 40 9.280 0.421 -5.502 357 HD2 ARG 40 HD3 ARG 40 10.791 -1.413 -5.614 358 HD3 ARG 40 HD2 ARG 40 11.730 -0.005 -5.062 359 HE ARG 40 HE ARG 40 10.699 -1.899 -3.067 360 HH11 ARG 40 HH11 ARG 40 13.409 -0.535 -4.817 361 HH12 ARG 40 HH12 ARG 40 14.601 -1.218 -3.762 362 HH21 ARG 40 HH22 ARG 40 12.272 -2.789 -1.666 363 HH22 ARG 40 HH21 ARG 40 13.957 -2.495 -1.968 364 H GLU 41 H GLU 41 7.450 2.277 -2.025 365 HA GLU 41 HA GLU 41 5.285 0.861 -3.206 366 HB2 GLU 41 HB3 GLU 41 5.729 0.828 -0.803 367 HB3 GLU 41 HB2 GLU 41 5.455 2.584 -0.706 368 HG2 GLU 41 HG3 GLU 41 3.090 1.745 -1.755 369 HG3 GLU 41 HG2 GLU 41 3.533 0.348 -0.744 370 H ARG 42 H ARG 42 6.203 4.196 -3.127 371 HA ARG 42 HA ARG 42 3.578 5.293 -3.615 372 HB2 ARG 42 HB3 ARG 42 5.710 6.400 -2.569 373 HB3 ARG 42 HB2 ARG 42 6.160 6.695 -4.266 374 HG2 ARG 42 HG3 ARG 42 5.109 8.665 -3.700 375 HG3 ARG 42 HG2 ARG 42 3.777 7.741 -4.434 376 HD2 ARG 42 HD3 ARG 42 4.320 7.732 -1.459 377 HD3 ARG 42 HD2 ARG 42 3.275 8.943 -2.239 378 HE ARG 42 HE ARG 42 1.725 7.249 -2.751 379 HH11 ARG 42 HH11 ARG 42 4.399 6.102 -0.794 380 HH12 ARG 42 HH12 ARG 42 3.616 4.600 -0.392 381 HH21 ARG 42 HH22 ARG 42 0.692 5.293 -2.182 382 HH22 ARG 42 HH21 ARG 42 1.531 4.149 -1.163 383 H TRP 43 H TRP 43 6.549 5.159 -5.580 384 HA TRP 43 HA TRP 43 5.381 5.913 -8.007 385 HB2 TRP 43 HB3 TRP 43 7.632 6.063 -8.177 386 HB3 TRP 43 HB2 TRP 43 7.916 4.653 -7.128 387 HD1 TRP 43 HD1 TRP 43 8.682 2.471 -8.301 388 HE1 TRP 43 HE1 TRP 43 8.887 1.704 -10.741 389 HE3 TRP 43 HE3 TRP 43 6.399 6.437 -10.613 390 HZ2 TRP 43 HZ2 TRP 43 8.211 2.622 -13.304 391 HZ3 TRP 43 HZ3 TRP 43 6.220 6.418 -13.080 392 HH2 TRP 43 HH2 TRP 43 7.112 4.536 -14.401 393 H ASN 44 H ASN 44 5.914 2.697 -6.636 394 HA ASN 44 HA ASN 44 5.008 1.240 -8.898 395 HB2 ASN 44 HB3 ASN 44 6.431 0.250 -7.170 396 HB3 ASN 44 HB2 ASN 44 5.096 0.370 -5.998 397 HD21 ASN 44 HD22 ASN 44 4.542 -1.665 -5.612 398 HD22 ASN 44 HD21 ASN 44 4.117 -2.838 -6.810 399 H ASN 45 H ASN 45 3.218 2.721 -6.257 400 HA ASN 45 HA ASN 45 0.808 1.320 -7.216 401 HB2 ASN 45 HB3 ASN 45 1.602 2.357 -4.532 402 HB3 ASN 45 HB2 ASN 45 -0.125 2.318 -4.963 403 HD21 ASN 45 HD22 ASN 45 2.695 0.455 -4.242 404 HD22 ASN 45 HD21 ASN 45 1.912 -1.087 -4.112 405 H TYR 46 H TYR 46 2.207 4.237 -7.785 406 HA TYR 46 HA TYR 46 -0.466 5.462 -8.018 407 HB2 TYR 46 HB3 TYR 46 0.838 6.482 -6.170 408 HB3 TYR 46 HB2 TYR 46 2.047 7.010 -7.366 409 HD1 TYR 46 HD2 TYR 46 -1.402 7.505 -6.129 410 HD2 TYR 46 HD1 TYR 46 1.587 8.861 -8.871 411 HE1 TYR 46 HE2 TYR 46 -2.725 9.539 -6.564 412 HE2 TYR 46 HE1 TYR 46 0.260 10.892 -9.317 413 HH TYR 46 HH TYR 46 -1.720 11.901 -9.010 414 H ILE 47 H ILE 47 2.857 5.699 -9.328 415 HA ILE 47 HA ILE 47 1.658 6.843 -11.763 416 HB ILE 47 HB ILE 47 4.610 6.738 -11.626 417 HG12 ILE 47 HG12 ILE 47 3.099 8.643 -9.813 418 HG13 ILE 47 HG13 ILE 47 3.949 7.186 -9.243 419 HG21 ILE 47 HG21 ILE 47 4.342 9.043 -12.465 420 HG22 ILE 47 HG22 ILE 47 2.584 8.923 -12.216 421 HG23 ILE 47 HG23 ILE 47 3.387 7.879 -13.413 422 HD11 ILE 47 HD11 ILE 47 6.069 8.097 -10.074 423 HD12 ILE 47 HD12 ILE 47 5.300 9.194 -8.903 424 HD13 ILE 47 HD13 ILE 47 5.219 9.553 -10.644 425 H ASN 48 H ASN 48 2.888 3.932 -10.583 426 HA ASN 48 HA ASN 48 3.939 3.003 -13.102 427 HB2 ASN 48 HB3 ASN 48 4.891 2.223 -10.973 428 HB3 ASN 48 HB2 ASN 48 3.368 1.366 -10.631 429 HD21 ASN 48 HD22 ASN 48 4.304 -0.656 -10.627 430 HD22 ASN 48 HD21 ASN 48 4.902 -1.414 -12.066 431 HA PRO 49 HA PRO 49 0.003 0.524 -13.541 432 HB2 PRO 49 HB3 PRO 49 -1.748 0.123 -11.517 433 HB3 PRO 49 HB2 PRO 49 -0.159 -0.680 -11.503 434 HG2 PRO 49 HG3 PRO 49 -1.122 1.680 -9.949 435 HG3 PRO 49 HG2 PRO 49 0.032 0.407 -9.485 436 HD2 PRO 49 HD3 PRO 49 0.647 3.014 -10.463 437 HD3 PRO 49 HD2 PRO 49 1.788 1.675 -10.185 438 H ALA 50 H ALA 50 -2.569 0.693 -13.481 439 HA ALA 50 HA ALA 50 -3.282 3.560 -13.641 440 HB1 ALA 50 HB1 ALA 50 -4.859 2.932 -15.430 441 HB2 ALA 50 HB2 ALA 50 -4.307 1.244 -15.316 442 HB3 ALA 50 HB3 ALA 50 -3.181 2.514 -15.851 443 H LEU 51 H LEU 51 -3.598 2.730 -11.236 444 HA LEU 51 HA LEU 51 -5.899 1.307 -10.530 445 HB2 LEU 51 HB3 LEU 51 -5.625 2.346 -8.321 446 HB3 LEU 51 HB2 LEU 51 -4.111 1.673 -8.973 447 HG LEU 51 HG LEU 51 -4.701 4.601 -9.266 448 HD11 LEU 51 HD11 LEU 51 -3.578 5.033 -7.119 449 HD12 LEU 51 HD12 LEU 51 -3.550 3.284 -6.788 450 HD13 LEU 51 HD13 LEU 51 -5.104 4.144 -6.906 451 HD21 LEU 51 HD21 LEU 51 -2.145 3.003 -8.930 452 HD22 LEU 51 HD22 LEU 51 -2.248 4.765 -9.153 453 HD23 LEU 51 HD23 LEU 51 -2.782 3.671 -10.452 454 H ARG 52 H ARG 52 -7.332 2.307 -12.196 455 HA ARG 52 HA ARG 52 -9.018 4.325 -10.911 456 HB2 ARG 52 HB3 ARG 52 -7.796 4.625 -13.671 457 HB3 ARG 52 HB2 ARG 52 -9.225 5.536 -13.128 458 HG2 ARG 52 HG3 ARG 52 -7.971 6.679 -11.461 459 HG3 ARG 52 HG2 ARG 52 -6.569 5.605 -11.685 460 HD2 ARG 52 HD3 ARG 52 -6.015 7.609 -12.799 461 HD3 ARG 52 HD2 ARG 52 -6.476 6.461 -14.079 462 HE ARG 52 HE ARG 52 -8.464 8.374 -13.052 463 HH11 ARG 52 HH11 ARG 52 -6.462 7.174 -15.659 464 HH12 ARG 52 HH12 ARG 52 -7.243 8.139 -16.874 465 HH21 ARG 52 HH22 ARG 52 -9.487 9.653 -14.650 466 HH22 ARG 52 HH21 ARG 52 -8.961 9.544 -16.301 467 H THR 53 H THR 53 -10.372 4.598 -13.557 468 HA THR 53 HA THR 53 -12.434 3.824 -14.250 469 HB THR 53 HB THR 53 -11.969 1.464 -15.443 470 HG1 THR 53 HG1 THR 53 -9.803 1.539 -14.294 471 HG21 THR 53 HG21 THR 53 -12.498 3.597 -16.551 472 HG22 THR 53 HG22 THR 53 -11.163 2.762 -17.379 473 HG23 THR 53 HG23 THR 53 -10.822 4.143 -16.310 474 H ASP 54 H ASP 54 -12.804 3.494 -11.707 475 HA ASP 54 HA ASP 54 -14.087 2.400 -10.158 476 HB2 ASP 54 HB3 ASP 54 -14.739 0.595 -12.510 477 HB3 ASP 54 HB2 ASP 54 -15.569 0.566 -10.935 478 HA PRO 55 HA PRO 55 -11.715 -0.952 -8.506 479 HB2 PRO 55 HB3 PRO 55 -13.528 -2.522 -7.164 480 HB3 PRO 55 HB2 PRO 55 -13.082 -0.893 -6.602 481 HG2 PRO 55 HG3 PRO 55 -15.480 -1.775 -8.191 482 HG3 PRO 55 HG2 PRO 55 -15.394 -0.666 -6.801 483 HD2 PRO 55 HD3 PRO 55 -15.561 0.214 -9.373 484 HD3 PRO 55 HD2 PRO 55 -14.697 1.119 -8.106 485 H TRP 56 H TRP 56 -12.478 -3.680 -8.046 486 HA TRP 56 HA TRP 56 -12.199 -4.666 -10.753 487 HB2 TRP 56 HB3 TRP 56 -12.352 -6.915 -9.156 488 HB3 TRP 56 HB2 TRP 56 -10.886 -6.122 -9.782 489 HD1 TRP 56 HD1 TRP 56 -9.820 -4.162 -7.999 490 HE1 TRP 56 HE1 TRP 56 -9.590 -4.361 -5.449 491 HE3 TRP 56 HE3 TRP 56 -13.230 -7.892 -7.155 492 HZ2 TRP 56 HZ2 TRP 56 -10.664 -5.892 -3.350 493 HZ3 TRP 56 HZ3 TRP 56 -13.569 -8.683 -4.838 494 HH2 TRP 56 HH2 TRP 56 -12.303 -7.694 -2.965 495 H SER 57 H SER 57 -13.414 -6.613 -11.457 496 HA SER 57 HA SER 57 -16.259 -6.004 -11.281 497 HB2 SER 57 HB3 SER 57 -15.203 -8.305 -12.880 498 HB3 SER 57 HB2 SER 57 -16.423 -7.082 -13.309 499 HG SER 57 HG SER 57 -13.593 -6.902 -13.370 500 HA PRO 58 HA PRO 58 -17.696 -9.288 -8.684 501 HB2 PRO 58 HB3 PRO 58 -19.271 -10.381 -11.016 502 HB3 PRO 58 HB2 PRO 58 -19.836 -9.931 -9.389 503 HG2 PRO 58 HG3 PRO 58 -20.334 -8.355 -11.469 504 HG3 PRO 58 HG2 PRO 58 -19.886 -7.657 -9.894 505 HD2 PRO 58 HD3 PRO 58 -18.218 -7.991 -12.377 506 HD3 PRO 58 HD2 PRO 58 -18.260 -6.643 -11.215 507 H GLU 59 H GLU 59 -16.501 -10.093 -11.882 508 HA GLU 59 HA GLU 59 -16.209 -12.907 -11.579 509 HB2 GLU 59 HB3 GLU 59 -14.412 -11.100 -13.213 510 HB3 GLU 59 HB2 GLU 59 -14.852 -12.796 -13.524 511 HG2 GLU 59 HG3 GLU 59 -16.943 -12.240 -14.346 512 HG3 GLU 59 HG2 GLU 59 -16.953 -10.655 -13.536 513 H GLU 60 H GLU 60 -14.194 -10.105 -10.874 514 HA GLU 60 HA GLU 60 -11.865 -11.573 -10.123 515 HB2 GLU 60 HB3 GLU 60 -12.787 -8.735 -9.740 516 HB3 GLU 60 HB2 GLU 60 -11.355 -9.346 -8.877 517 HG2 GLU 60 HG3 GLU 60 -10.495 -8.309 -10.780 518 HG3 GLU 60 HG2 GLU 60 -10.483 -10.045 -11.176 519 H ASP 61 H ASP 61 -14.667 -10.269 -8.403 520 HA ASP 61 HA ASP 61 -13.840 -10.736 -5.760 521 HB2 ASP 61 HB3 ASP 61 -15.804 -9.453 -6.056 522 HB3 ASP 61 HB2 ASP 61 -16.561 -10.692 -7.087 523 H MET 62 H MET 62 -15.466 -12.863 -8.074 524 HA MET 62 HA MET 62 -15.697 -15.052 -6.242 525 HB2 MET 62 HB3 MET 62 -15.985 -14.904 -9.248 526 HB3 MET 62 HB2 MET 62 -16.301 -16.363 -8.278 527 HG2 MET 62 HG3 MET 62 -18.069 -15.221 -7.077 528 HG3 MET 62 HG2 MET 62 -17.718 -13.709 -7.950 529 HE1 MET 62 HE1 MET 62 -21.214 -14.813 -9.379 530 HE2 MET 62 HE2 MET 62 -20.298 -13.518 -8.573 531 HE3 MET 62 HE3 MET 62 -20.625 -15.043 -7.716 532 H LEU 63 H LEU 63 -13.406 -14.267 -8.874 533 HA LEU 63 HA LEU 63 -11.955 -16.716 -8.648 534 HB2 LEU 63 HB3 LEU 63 -11.904 -15.440 -10.685 535 HB3 LEU 63 HB2 LEU 63 -11.265 -14.016 -9.829 536 HG LEU 63 HG LEU 63 -9.218 -15.463 -9.324 537 HD11 LEU 63 HD11 LEU 63 -8.767 -17.263 -10.942 538 HD12 LEU 63 HD12 LEU 63 -10.415 -17.087 -11.589 539 HD13 LEU 63 HD13 LEU 63 -10.171 -17.632 -9.912 540 HD21 LEU 63 HD21 LEU 63 -9.833 -14.648 -12.181 541 HD22 LEU 63 HD22 LEU 63 -8.211 -14.938 -11.510 542 HD23 LEU 63 HD23 LEU 63 -9.201 -13.594 -10.894 543 H LEU 64 H LEU 64 -11.496 -13.455 -7.344 544 HA LEU 64 HA LEU 64 -8.978 -13.841 -6.171 545 HB2 LEU 64 HB3 LEU 64 -11.146 -11.878 -5.949 546 HB3 LEU 64 HB2 LEU 64 -10.154 -12.053 -4.481 547 HG LEU 64 HG LEU 64 -9.085 -11.440 -7.245 548 HD11 LEU 64 HD11 LEU 64 -8.703 -9.172 -6.363 549 HD12 LEU 64 HD12 LEU 64 -9.524 -9.625 -4.850 550 HD13 LEU 64 HD13 LEU 64 -10.433 -9.586 -6.380 551 HD21 LEU 64 HD21 LEU 64 -7.777 -11.454 -4.507 552 HD22 LEU 64 HD22 LEU 64 -7.005 -10.935 -6.025 553 HD23 LEU 64 HD23 LEU 64 -7.502 -12.631 -5.814 554 H ASP 65 H ASP 65 -12.216 -14.492 -4.871 555 HA ASP 65 HA ASP 65 -11.450 -15.021 -2.220 556 HB2 ASP 65 HB3 ASP 65 -13.816 -14.829 -3.078 557 HB3 ASP 65 HB2 ASP 65 -13.647 -16.489 -3.699 558 H GLN 66 H GLN 66 -11.401 -17.043 -5.090 559 HA GLN 66 HA GLN 66 -10.637 -19.452 -3.711 560 HB2 GLN 66 HB3 GLN 66 -11.820 -19.511 -5.855 561 HB3 GLN 66 HB2 GLN 66 -10.453 -18.684 -6.640 562 HG2 GLN 66 HG3 GLN 66 -9.013 -20.619 -6.085 563 HG3 GLN 66 HG2 GLN 66 -10.436 -21.448 -5.409 564 HE21 GLN 66 HE22 GLN 66 -12.040 -22.184 -6.799 565 HE22 GLN 66 HE21 GLN 66 -11.777 -22.355 -8.501 566 H LYS 67 H LYS 67 -8.915 -17.101 -5.775 567 HA LYS 67 HA LYS 67 -6.362 -18.273 -5.551 568 HB2 LYS 67 HB3 LYS 67 -7.114 -15.387 -6.066 569 HB3 LYS 67 HB2 LYS 67 -5.489 -16.080 -6.284 570 HG2 LYS 67 HG3 LYS 67 -7.962 -17.015 -7.762 571 HG3 LYS 67 HG2 LYS 67 -6.793 -15.832 -8.396 572 HD2 LYS 67 HD3 LYS 67 -5.013 -17.484 -8.310 573 HD3 LYS 67 HD2 LYS 67 -6.104 -18.664 -7.545 574 HE2 LYS 67 HE3 LYS 67 -7.518 -18.680 -9.540 575 HE3 LYS 67 HE2 LYS 67 -6.475 -17.456 -10.305 576 HZ1 LYS 67 HZ1 LYS 67 -6.132 -19.900 -10.906 577 HZ2 LYS 67 HZ2 LYS 67 -5.373 -20.046 -9.406 578 HZ3 LYS 67 HZ3 LYS 67 -4.763 -18.972 -10.560 579 H TYR 68 H TYR 68 -8.091 -16.125 -3.414 580 HA TYR 68 HA TYR 68 -5.774 -15.375 -1.845 581 HB2 TYR 68 HB3 TYR 68 -7.544 -13.797 -1.866 582 HB3 TYR 68 HB2 TYR 68 -8.763 -15.042 -1.502 583 HD1 TYR 68 HD1 TYR 68 -5.892 -13.157 -0.038 584 HD2 TYR 68 HD2 TYR 68 -9.378 -15.512 0.732 585 HE1 TYR 68 HE1 TYR 68 -5.720 -12.624 2.363 586 HE2 TYR 68 HE2 TYR 68 -9.214 -14.971 3.133 587 HH TYR 68 HH TYR 68 -7.485 -14.272 4.740 588 H ALA 69 H ALA 69 -8.211 -17.870 -1.842 589 HA ALA 69 HA ALA 69 -7.606 -18.787 0.828 590 HB1 ALA 69 HB1 ALA 69 -9.132 -20.643 0.286 591 HB2 ALA 69 HB2 ALA 69 -9.219 -20.071 -1.397 592 HB3 ALA 69 HB3 ALA 69 -9.855 -19.058 -0.079 593 H GLU 70 H GLU 70 -6.038 -19.059 -2.113 594 HA GLU 70 HA GLU 70 -4.862 -21.655 -1.367 595 HB2 GLU 70 HB3 GLU 70 -4.828 -20.255 -4.051 596 HB3 GLU 70 HB2 GLU 70 -4.071 -21.823 -3.679 597 HG2 GLU 70 HG3 GLU 70 -6.992 -21.123 -3.861 598 HG3 GLU 70 HG2 GLU 70 -6.076 -22.361 -4.753 599 H TYR 71 H TYR 71 -3.924 -18.444 -2.646 600 HA TYR 71 HA TYR 71 -1.139 -18.998 -1.944 601 HB2 TYR 71 HB3 TYR 71 -2.420 -16.583 -3.252 602 HB3 TYR 71 HB2 TYR 71 -0.674 -16.815 -2.992 603 HD1 TYR 71 HD1 TYR 71 0.452 -18.802 -4.131 604 HD2 TYR 71 HD2 TYR 71 -3.469 -17.450 -5.171 605 HE1 TYR 71 HE1 TYR 71 0.618 -19.986 -6.288 606 HE2 TYR 71 HE2 TYR 71 -3.307 -18.633 -7.326 607 HH TYR 71 HH TYR 71 -1.736 -19.544 -8.799 608 H GLY 72 H GLY 72 -3.840 -17.078 -0.822 609 HA2 GLY 72 HA3 GLY 72 -4.004 -16.441 1.481 610 HA3 GLY 72 HA2 GLY 72 -2.226 -16.381 1.544 611 HA PRO 73 HA PRO 73 -3.396 -12.049 0.852 612 HB2 PRO 73 HB3 PRO 73 -1.645 -10.941 2.610 613 HB3 PRO 73 HB2 PRO 73 -3.116 -11.764 3.183 614 HG2 PRO 73 HG3 PRO 73 -0.282 -12.725 3.137 615 HG3 PRO 73 HG2 PRO 73 -1.557 -13.003 4.349 616 HD2 PRO 73 HD3 PRO 73 -0.788 -14.792 2.317 617 HD3 PRO 73 HD2 PRO 73 -2.285 -14.882 3.276 618 H LYS 74 H LYS 74 -1.291 -13.802 -0.567 619 HA LYS 74 HA LYS 74 0.968 -12.077 -0.979 620 HB2 LYS 74 HB3 LYS 74 0.023 -14.583 -2.389 621 HB3 LYS 74 HB2 LYS 74 1.525 -13.717 -2.795 622 HG2 LYS 74 HG3 LYS 74 2.411 -14.136 -0.577 623 HG3 LYS 74 HG2 LYS 74 0.883 -14.903 -0.082 624 HD2 LYS 74 HD3 LYS 74 1.214 -16.664 -1.762 625 HD3 LYS 74 HD2 LYS 74 2.734 -15.892 -2.277 626 HE2 LYS 74 HE3 LYS 74 3.148 -17.786 -0.765 627 HE3 LYS 74 HE2 LYS 74 3.688 -16.247 -0.051 628 HZ1 LYS 74 HZ1 LYS 74 1.704 -16.196 1.293 629 HZ2 LYS 74 HZ2 LYS 74 2.500 -17.666 1.532 630 HZ3 LYS 74 HZ3 LYS 74 1.109 -17.606 0.569 631 H TRP 75 H TRP 75 -0.969 -10.413 -1.420 632 HA TRP 75 HA TRP 75 -2.141 -10.202 -3.923 633 HB2 TRP 75 HB3 TRP 75 -1.117 -7.841 -2.346 634 HB3 TRP 75 HB2 TRP 75 -2.459 -7.881 -3.515 635 HD1 TRP 75 HD1 TRP 75 -1.871 -7.913 0.092 636 HE1 TRP 75 HE1 TRP 75 -3.909 -8.791 1.373 637 HE3 TRP 75 HE3 TRP 75 -4.471 -9.963 -3.814 638 HZ2 TRP 75 HZ2 TRP 75 -6.312 -10.150 0.837 639 HZ3 TRP 75 HZ3 TRP 75 -6.646 -11.042 -3.347 640 HH2 TRP 75 HH2 TRP 75 -7.549 -11.130 -1.056 641 H ASN 76 H ASN 76 1.185 -9.789 -3.100 642 HA ASN 76 HA ASN 76 2.064 -8.188 -5.252 643 HB2 ASN 76 HB3 ASN 76 3.411 -8.932 -3.228 644 HB3 ASN 76 HB2 ASN 76 3.576 -10.518 -4.020 645 HD21 ASN 76 HD22 ASN 76 5.292 -7.940 -3.355 646 HD22 ASN 76 HD21 ASN 76 6.282 -7.806 -4.769 647 H LYS 77 H LYS 77 1.463 -11.649 -4.927 648 HA LYS 77 HA LYS 77 2.212 -12.192 -7.688 649 HB2 LYS 77 HB3 LYS 77 1.179 -13.878 -5.405 650 HB3 LYS 77 HB2 LYS 77 1.257 -14.507 -7.069 651 HG2 LYS 77 HG3 LYS 77 3.206 -15.255 -5.929 652 HG3 LYS 77 HG2 LYS 77 3.712 -13.975 -7.059 653 HD2 LYS 77 HD3 LYS 77 4.233 -12.506 -5.384 654 HD3 LYS 77 HD2 LYS 77 3.002 -13.160 -4.277 655 HE2 LYS 77 HE3 LYS 77 5.281 -13.633 -3.489 656 HE3 LYS 77 HE2 LYS 77 4.387 -15.127 -3.865 657 HZ1 LYS 77 HZ1 LYS 77 6.671 -15.178 -4.679 658 HZ2 LYS 77 HZ2 LYS 77 6.379 -13.825 -5.652 659 HZ3 LYS 77 HZ3 LYS 77 5.566 -15.275 -5.952 660 H ILE 78 H ILE 78 -0.654 -11.718 -5.743 661 HA ILE 78 HA ILE 78 -2.606 -12.691 -7.518 662 HB ILE 78 HB ILE 78 -2.701 -10.550 -5.379 663 HG12 ILE 78 HG12 ILE 78 -2.347 -12.805 -4.578 664 HG13 ILE 78 HG13 ILE 78 -3.976 -12.238 -4.140 665 HG21 ILE 78 HG21 ILE 78 -5.154 -10.613 -5.545 666 HG22 ILE 78 HG22 ILE 78 -5.024 -11.653 -6.984 667 HG23 ILE 78 HG23 ILE 78 -4.400 -9.986 -7.030 668 HD11 ILE 78 HD11 ILE 78 -4.928 -13.555 -5.978 669 HD12 ILE 78 HD12 ILE 78 -4.008 -14.577 -4.849 670 HD13 ILE 78 HD13 ILE 78 -3.299 -14.122 -6.416 671 H SER 79 H SER 79 -1.130 -9.460 -7.234 672 HA SER 79 HA SER 79 -2.760 -8.180 -9.153 673 HB2 SER 79 HB3 SER 79 -0.686 -6.607 -9.275 674 HB3 SER 79 HB2 SER 79 -1.607 -6.724 -7.757 675 HG SER 79 HG SER 79 0.011 -7.805 -6.833 676 H LYS 80 H LYS 80 -0.351 -10.524 -9.530 677 HA LYS 80 HA LYS 80 0.470 -9.677 -12.186 678 HB2 LYS 80 HB3 LYS 80 1.129 -12.078 -10.478 679 HB3 LYS 80 HB2 LYS 80 1.662 -11.926 -12.169 680 HG2 LYS 80 HG3 LYS 80 3.119 -10.200 -11.700 681 HG3 LYS 80 HG2 LYS 80 2.224 -9.697 -10.245 682 HD2 LYS 80 HD3 LYS 80 2.998 -11.690 -9.060 683 HD3 LYS 80 HD2 LYS 80 3.857 -12.239 -10.520 684 HE2 LYS 80 HE3 LYS 80 5.330 -11.130 -8.833 685 HE3 LYS 80 HE2 LYS 80 5.346 -10.350 -10.434 686 HZ1 LYS 80 HZ1 LYS 80 3.605 -9.391 -8.224 687 HZ2 LYS 80 HZ2 LYS 80 4.044 -8.581 -9.640 688 HZ3 LYS 80 HZ3 LYS 80 5.191 -8.839 -8.430 689 H PHE 81 H PHE 81 -1.913 -11.759 -10.723 690 HA PHE 81 HA PHE 81 -2.505 -13.144 -13.218 691 HB2 PHE 81 HB3 PHE 81 -4.173 -13.134 -10.690 692 HB3 PHE 81 HB2 PHE 81 -4.139 -14.353 -11.987 693 HD1 PHE 81 HD2 PHE 81 -1.238 -14.818 -12.289 694 HD2 PHE 81 HD1 PHE 81 -3.611 -14.300 -8.768 695 HE1 PHE 81 HE2 PHE 81 0.395 -16.138 -10.995 696 HE2 PHE 81 HE1 PHE 81 -1.983 -15.623 -7.472 697 HZ PHE 81 HZ PHE 81 0.026 -16.544 -8.583 698 H LEU 82 H LEU 82 -3.417 -10.317 -11.497 699 HA LEU 82 HA LEU 82 -5.652 -9.844 -13.377 700 HB2 LEU 82 HB3 LEU 82 -5.368 -9.108 -10.464 701 HB3 LEU 82 HB2 LEU 82 -6.476 -8.240 -11.555 702 HG LEU 82 HG LEU 82 -7.853 -9.721 -10.470 703 HD11 LEU 82 HD11 LEU 82 -8.522 -11.443 -12.091 704 HD12 LEU 82 HD12 LEU 82 -7.001 -11.185 -12.978 705 HD13 LEU 82 HD13 LEU 82 -8.199 -9.873 -12.863 706 HD21 LEU 82 HD21 LEU 82 -5.753 -11.881 -10.765 707 HD22 LEU 82 HD22 LEU 82 -7.362 -12.090 -10.034 708 HD23 LEU 82 HD23 LEU 82 -6.176 -11.001 -9.277 709 H LYS 83 H LYS 83 -3.945 -9.065 -14.729 710 HA LYS 83 HA LYS 83 -2.165 -6.980 -14.157 711 HB2 LYS 83 HB3 LYS 83 -2.156 -8.552 -16.117 712 HB3 LYS 83 HB2 LYS 83 -3.471 -7.582 -16.821 713 HG2 LYS 83 HG3 LYS 83 -1.997 -5.639 -16.928 714 HG3 LYS 83 HG2 LYS 83 -0.682 -6.587 -16.192 715 HD2 LYS 83 HD3 LYS 83 -0.677 -8.120 -18.076 716 HD3 LYS 83 HD2 LYS 83 -2.081 -7.293 -18.792 717 HE2 LYS 83 HE3 LYS 83 -0.707 -5.217 -18.946 718 HE3 LYS 83 HE2 LYS 83 0.695 -6.152 -18.375 719 HZ1 LYS 83 HZ1 LYS 83 0.476 -7.585 -20.307 720 HZ2 LYS 83 HZ2 LYS 83 0.653 -5.976 -20.789 721 HZ3 LYS 83 HZ3 LYS 83 -0.867 -6.713 -20.845 722 H ASN 84 H ASN 84 -3.199 -5.370 -13.010 723 HA ASN 84 HA ASN 84 -4.044 -3.099 -14.354 724 HB2 ASN 84 HB3 ASN 84 -6.054 -4.493 -14.933 725 HB3 ASN 84 HB2 ASN 84 -6.455 -4.528 -13.199 726 HD21 ASN 84 HD22 ASN 84 -5.040 -1.709 -14.715 727 HD22 ASN 84 HD21 ASN 84 -6.450 -0.718 -14.627 728 H ARG 85 H ARG 85 -4.663 -4.972 -11.392 729 HA ARG 85 HA ARG 85 -4.544 -2.451 -9.859 730 HB2 ARG 85 HB3 ARG 85 -5.373 -5.149 -8.792 731 HB3 ARG 85 HB2 ARG 85 -5.680 -3.537 -8.100 732 HG2 ARG 85 HG3 ARG 85 -6.875 -4.590 -10.676 733 HG3 ARG 85 HG2 ARG 85 -7.692 -4.566 -9.094 734 HD2 ARG 85 HD3 ARG 85 -7.720 -2.192 -9.036 735 HD3 ARG 85 HD2 ARG 85 -6.578 -2.072 -10.396 736 HE ARG 85 HE ARG 85 -8.702 -3.407 -11.448 737 HH11 ARG 85 HH11 ARG 85 -8.379 -0.359 -9.746 738 HH12 ARG 85 HH12 ARG 85 -9.725 0.376 -10.564 739 HH21 ARG 85 HH22 ARG 85 -10.445 -2.442 -12.517 740 HH22 ARG 85 HH21 ARG 85 -10.909 -0.815 -12.123 741 H SER 86 H SER 86 -3.221 -2.260 -8.032 742 HA SER 86 HA SER 86 -0.894 -4.077 -8.029 743 HB2 SER 86 HB3 SER 86 0.181 -2.045 -6.827 744 HB3 SER 86 HB2 SER 86 -0.112 -1.945 -8.580 745 HG SER 86 HG SER 86 -1.062 -0.371 -6.634 746 H ASP 87 H ASP 87 0.294 -3.905 -5.801 747 HA ASP 87 HA ASP 87 -1.098 -5.402 -3.943 748 HB2 ASP 87 HB3 ASP 87 0.786 -4.602 -2.348 749 HB3 ASP 87 HB2 ASP 87 1.185 -5.573 -3.786 750 H ASN 88 H ASN 88 0.053 -2.128 -3.004 751 HA ASN 88 HA ASN 88 -1.631 -1.950 -0.778 752 HB2 ASN 88 HB3 ASN 88 0.376 -0.375 -1.741 753 HB3 ASN 88 HB2 ASN 88 -1.047 0.663 -2.005 754 HD21 ASN 88 HD22 ASN 88 -1.013 2.134 -0.385 755 HD22 ASN 88 HD21 ASN 88 -0.856 1.777 1.305 756 H ASN 89 H ASN 89 -2.451 -1.529 -4.082 757 HA ASN 89 HA ASN 89 -4.841 0.029 -3.511 758 HB2 ASN 89 HB3 ASN 89 -3.520 0.247 -5.650 759 HB3 ASN 89 HB2 ASN 89 -4.155 -1.349 -6.114 760 HD21 ASN 89 HD22 ASN 89 -4.945 1.997 -5.513 761 HD22 ASN 89 HD21 ASN 89 -6.501 1.973 -6.267 762 H ILE 90 H ILE 90 -4.096 -3.327 -4.486 763 HA ILE 90 HA ILE 90 -6.797 -4.203 -4.577 764 HB ILE 90 HB ILE 90 -4.214 -5.748 -4.159 765 HG12 ILE 90 HG12 ILE 90 -6.127 -5.606 -6.504 766 HG13 ILE 90 HG13 ILE 90 -4.599 -4.702 -6.370 767 HG21 ILE 90 HG21 ILE 90 -5.529 -7.801 -4.538 768 HG22 ILE 90 HG22 ILE 90 -7.027 -6.840 -4.524 769 HG23 ILE 90 HG23 ILE 90 -6.034 -6.962 -3.052 770 HD11 ILE 90 HD11 ILE 90 -3.355 -6.815 -6.311 771 HD12 ILE 90 HD12 ILE 90 -4.343 -6.678 -7.785 772 HD13 ILE 90 HD13 ILE 90 -4.883 -7.718 -6.446 773 H ARG 91 H ARG 91 -4.319 -4.414 -2.023 774 HA ARG 91 HA ARG 91 -5.869 -5.756 -0.109 775 HB2 ARG 91 HB3 ARG 91 -3.410 -5.353 0.009 776 HB3 ARG 91 HB2 ARG 91 -3.751 -3.655 0.424 777 HG2 ARG 91 HG3 ARG 91 -3.200 -5.122 2.374 778 HG3 ARG 91 HG2 ARG 91 -4.767 -4.286 2.494 779 HD2 ARG 91 HD3 ARG 91 -5.978 -6.219 2.237 780 HD3 ARG 91 HD2 ARG 91 -4.710 -7.015 1.275 781 HE ARG 91 HE ARG 91 -3.524 -7.474 3.318 782 HH11 ARG 91 HH11 ARG 91 -6.781 -6.247 3.739 783 HH12 ARG 91 HH12 ARG 91 -6.959 -6.885 5.338 784 HH21 ARG 91 HH22 ARG 91 -3.766 -8.335 5.426 785 HH22 ARG 91 HH21 ARG 91 -5.238 -8.065 6.300 786 H ASN 92 H ASN 92 -5.628 -2.334 -0.882 787 HA ASN 92 HA ASN 92 -7.124 -1.324 1.302 788 HB2 ASN 92 HB3 ASN 92 -5.637 -0.127 -0.501 789 HB3 ASN 92 HB2 ASN 92 -7.152 -0.060 -1.434 790 HD21 ASN 92 HD22 ASN 92 -5.541 2.095 -0.322 791 HD22 ASN 92 HD21 ASN 92 -6.589 2.992 0.719 792 H ARG 93 H ARG 93 -8.075 -2.003 -2.075 793 HA ARG 93 HA ARG 93 -10.829 -1.497 -1.628 794 HB2 ARG 93 HB3 ARG 93 -9.191 -1.997 -3.855 795 HB3 ARG 93 HB2 ARG 93 -10.442 -3.263 -3.860 796 HG2 ARG 93 HG3 ARG 93 -11.096 -1.275 -5.168 797 HG3 ARG 93 HG2 ARG 93 -12.194 -1.583 -3.801 798 HD2 ARG 93 HD3 ARG 93 -11.622 0.819 -4.060 799 HD3 ARG 93 HD2 ARG 93 -11.118 0.150 -2.488 800 HE ARG 93 HE ARG 93 -8.949 -0.088 -4.206 801 HH11 ARG 93 HH11 ARG 93 -10.863 2.471 -2.784 802 HH12 ARG 93 HH12 ARG 93 -9.579 3.634 -2.833 803 HH21 ARG 93 HH22 ARG 93 -7.244 1.424 -4.242 804 HH22 ARG 93 HH21 ARG 93 -7.503 3.040 -3.655 805 H TRP 94 H TRP 94 -8.892 -4.395 -1.334 806 HA TRP 94 HA TRP 94 -10.936 -6.325 -1.371 807 HB2 TRP 94 HB3 TRP 94 -8.572 -6.928 -1.433 808 HB3 TRP 94 HB2 TRP 94 -8.346 -6.291 0.214 809 HD1 TRP 94 HD1 TRP 94 -8.958 -7.874 2.232 810 HE1 TRP 94 HE1 TRP 94 -9.708 -10.322 2.403 811 HE3 TRP 94 HE3 TRP 94 -9.998 -8.758 -2.714 812 HZ2 TRP 94 HZ2 TRP 94 -10.599 -12.375 0.700 813 HZ3 TRP 94 HZ3 TRP 94 -10.794 -11.007 -3.366 814 HH2 TRP 94 HH2 TRP 94 -11.088 -12.786 -1.683 815 H MET 95 H MET 95 -9.552 -4.489 1.344 816 HA MET 95 HA MET 95 -11.386 -5.576 3.270 817 HB2 MET 95 HB3 MET 95 -9.155 -4.747 3.893 818 HB3 MET 95 HB2 MET 95 -9.626 -3.104 3.394 819 HG2 MET 95 HG3 MET 95 -11.273 -2.996 5.156 820 HG3 MET 95 HG2 MET 95 -10.945 -4.686 5.610 821 HE1 MET 95 HE1 MET 95 -9.530 -2.393 8.561 822 HE2 MET 95 HE2 MET 95 -10.738 -3.627 8.132 823 HE3 MET 95 HE3 MET 95 -10.893 -1.972 7.497 824 H MET 96 H MET 96 -11.228 -2.667 1.296 825 HA MET 96 HA MET 96 -13.356 -1.246 2.487 826 HB2 MET 96 HB3 MET 96 -11.877 -0.048 1.089 827 HB3 MET 96 HB2 MET 96 -12.131 -1.168 -0.272 828 HG2 MET 96 HG3 MET 96 -14.549 0.223 0.680 829 HG3 MET 96 HG2 MET 96 -13.294 1.271 -0.025 830 HE1 MET 96 HE1 MET 96 -15.916 0.859 -2.935 831 HE2 MET 96 HE2 MET 96 -15.040 2.008 -1.896 832 HE3 MET 96 HE3 MET 96 -16.266 0.927 -1.191 833 H ILE 97 H ILE 97 -13.331 -3.456 -0.315 834 HA ILE 97 HA ILE 97 -16.174 -3.230 -0.658 835 HB ILE 97 HB ILE 97 -14.315 -3.875 -2.424 836 HG12 ILE 97 HG12 ILE 97 -16.108 -4.987 -3.780 837 HG13 ILE 97 HG13 ILE 97 -17.131 -4.975 -2.323 838 HG21 ILE 97 HG21 ILE 97 -14.311 -6.283 -2.926 839 HG22 ILE 97 HG22 ILE 97 -15.234 -6.591 -1.436 840 HG23 ILE 97 HG23 ILE 97 -13.583 -5.934 -1.341 841 HD11 ILE 97 HD11 ILE 97 -17.014 -2.526 -2.263 842 HD12 ILE 97 HD12 ILE 97 -17.674 -3.111 -3.808 843 HD13 ILE 97 HD13 ILE 97 -15.992 -2.538 -3.719 844 H ALA 98 H ALA 98 -14.079 -5.230 1.226 845 HA ALA 98 HA ALA 98 -15.773 -7.458 1.614 846 HB1 ALA 98 HB1 ALA 98 -14.450 -7.879 3.650 847 HB2 ALA 98 HB2 ALA 98 -13.719 -6.263 3.507 848 HB3 ALA 98 HB3 ALA 98 -13.408 -7.494 2.260 849 H ARG 99 H ARG 99 -15.653 -4.269 3.059 850 HA ARG 99 HA ARG 99 -17.391 -4.764 5.245 851 HB2 ARG 99 HB3 ARG 99 -15.896 -2.766 4.966 852 HB3 ARG 99 HB2 ARG 99 -17.044 -2.150 3.754 853 HG2 ARG 99 HG3 ARG 99 -18.694 -1.736 5.338 854 HG3 ARG 99 HG2 ARG 99 -17.981 -2.858 6.522 855 HD2 ARG 99 HD3 ARG 99 -17.503 -0.706 7.350 856 HD3 ARG 99 HD2 ARG 99 -15.988 -1.266 6.600 857 HE ARG 99 HE ARG 99 -17.147 0.125 4.598 858 HH11 ARG 99 HH11 ARG 99 -16.555 0.894 7.971 859 HH12 ARG 99 HH12 ARG 99 -16.390 2.598 7.682 860 HH21 ARG 99 HH22 ARG 99 -16.896 2.389 4.220 861 HH22 ARG 99 HH21 ARG 99 -16.575 3.444 5.564 862 H HIS 100 H HIS 100 -17.940 -4.293 1.859 863 HA HIS 100 HA HIS 100 -20.808 -3.832 2.224 864 HB2 HIS 100 HB3 HIS 100 -19.334 -2.700 0.437 865 HB3 HIS 100 HB2 HIS 100 -19.380 -4.270 -0.402 866 HD1 HIS 100 HD1 HIS 100 -21.414 -4.737 -1.814 867 HD2 HIS 100 HD2 HIS 100 -21.948 -1.469 0.717 868 HE1 HIS 100 HE1 HIS 100 -23.616 -3.717 -2.488 869 HE2 HIS 100 HE2 HIS 100 -23.801 -1.632 -1.083 870 H ARG 101 H ARG 101 -18.521 -6.293 1.204 871 HA ARG 101 HA ARG 101 -20.394 -8.200 0.220 872 HB2 ARG 101 HB3 ARG 101 -18.050 -8.342 -0.368 873 HB3 ARG 101 HB2 ARG 101 -17.590 -8.503 1.345 874 HG2 ARG 101 HG3 ARG 101 -17.504 -10.693 0.879 875 HG3 ARG 101 HG2 ARG 101 -19.274 -10.622 1.052 876 HD2 ARG 101 HD3 ARG 101 -17.717 -10.365 -1.538 877 HD3 ARG 101 HD2 ARG 101 -18.624 -11.798 -0.996 878 HE ARG 101 HE ARG 101 -19.742 -9.263 -1.947 879 HH11 ARG 101 HH11 ARG 101 -20.242 -12.505 -0.745 880 HH12 ARG 101 HH12 ARG 101 -21.892 -12.587 -1.277 881 HH21 ARG 101 HH22 ARG 101 -21.912 -9.341 -2.637 882 HH22 ARG 101 HH21 ARG 101 -22.854 -10.776 -2.360 883 H ALA 102 H ALA 102 -19.048 -7.494 3.392 884 HA ALA 102 HA ALA 102 -20.163 -9.790 4.701 885 HB1 ALA 102 HB1 ALA 102 -19.492 -8.662 6.785 886 HB2 ALA 102 HB2 ALA 102 -19.099 -7.196 5.855 887 HB3 ALA 102 HB3 ALA 102 -18.177 -8.695 5.586 888 H LYS 103 H LYS 103 -21.719 -7.279 3.350 889 HA LYS 103 HA LYS 103 -23.714 -6.204 3.619 890 HB2 LYS 103 HB3 LYS 103 -24.400 -8.758 5.096 891 HB3 LYS 103 HB2 LYS 103 -25.547 -7.613 4.359 892 HG2 LYS 103 HG3 LYS 103 -23.447 -9.110 2.783 893 HG3 LYS 103 HG2 LYS 103 -25.096 -9.723 3.055 894 HD2 LYS 103 HD3 LYS 103 -26.016 -7.701 1.986 895 HD3 LYS 103 HD2 LYS 103 -24.362 -7.108 1.698 896 HE2 LYS 103 HE3 LYS 103 -25.372 -8.197 -0.295 897 HE3 LYS 103 HE2 LYS 103 -23.882 -8.996 0.262 898 HZ1 LYS 103 HZ1 LYS 103 -26.604 -9.928 1.018 899 HZ2 LYS 103 HZ2 LYS 103 -25.132 -10.748 1.212 900 HZ3 LYS 103 HZ3 LYS 103 -25.769 -10.509 -0.336 901 H HIS 104 H HIS 104 -25.544 -6.844 5.904 902 HA HIS 104 HA HIS 104 -24.308 -5.972 8.320 903 HB2 HIS 104 HB3 HIS 104 -25.617 -3.811 8.482 904 HB3 HIS 104 HB2 HIS 104 -24.192 -3.798 7.415 905 HD1 HIS 104 HD1 HIS 104 -27.983 -4.227 7.056 906 HD2 HIS 104 HD2 HIS 104 -24.690 -2.723 4.990 907 HE1 HIS 104 HE1 HIS 104 -28.924 -3.178 4.969 908 HE2 HIS 104 HE2 HIS 104 -26.929 -2.143 3.816 909 H GLN 105 H GLN 105 -25.659 -6.254 10.053 910 HA GLN 105 HA GLN 105 -28.367 -7.254 9.401 911 HB2 GLN 105 HB3 GLN 105 -26.528 -8.097 11.660 912 HB3 GLN 105 HB2 GLN 105 -28.182 -8.694 11.384 913 HG2 GLN 105 HG3 GLN 105 -27.458 -9.616 9.215 914 HG3 GLN 105 HG2 GLN 105 -25.798 -9.073 9.559 915 HE21 GLN 105 HE22 GLN 105 -26.057 -9.715 12.409 916 HE22 GLN 105 HE21 GLN 105 -25.928 -11.435 12.515 917 H LYS 106 H LYS 106 -30.031 -6.791 10.916 918 HA LYS 106 HA LYS 106 -29.491 -4.844 13.016 919 HB2 LYS 106 HB3 LYS 106 -30.776 -4.223 10.424 920 HB3 LYS 106 HB2 LYS 106 -31.673 -3.685 11.864 921 HG2 LYS 106 HG3 LYS 106 -29.723 -2.434 12.627 922 HG3 LYS 106 HG2 LYS 106 -28.798 -2.994 11.213 923 HD2 LYS 106 HD3 LYS 106 -30.126 -1.753 9.712 924 HD3 LYS 106 HD2 LYS 106 -31.409 -1.504 10.920 925 HE2 LYS 106 HE3 LYS 106 -28.606 -0.403 11.231 926 HE3 LYS 106 HE2 LYS 106 -29.922 0.497 10.440 927 HZ1 LYS 106 HZ1 LYS 106 -29.684 1.068 12.788 928 HZ2 LYS 106 HZ2 LYS 106 -29.987 -0.535 13.231 929 HZ3 LYS 106 HZ3 LYS 106 -31.193 0.377 12.475 930 H SER 107 H SER 107 -32.246 -6.104 11.133 931 HA SER 107 HA SER 107 -33.235 -7.525 13.491 932 HB2 SER 107 HB3 SER 107 -34.930 -5.478 12.016 933 HB3 SER 107 HB2 SER 107 -35.460 -6.527 13.353 934 HG SER 107 HG SER 107 -33.954 -4.198 13.399 935 H5' DA 1 H5' DA 1 -22.604 17.321 10.294 936 H5'' DA 1 H5'' DA 1 -22.580 16.725 11.965 937 H4' DA 1 H4' DA 1 -23.421 14.938 10.771 938 H3' DA 1 H3' DA 1 -21.175 14.381 12.064 939 H2' DA 1 H2' DA 1 -19.562 14.890 10.389 940 H2'' DA 1 H2'' DA 1 -19.820 13.197 10.008 941 H1' DA 1 H1' DA 1 -21.176 13.643 8.160 942 H8 DA 1 H8 DA 1 -19.439 16.906 9.350 943 H61 DA 1 H61 DA 1 -17.723 18.270 5.014 944 H62 DA 1 H62 DA 1 -17.875 17.625 3.396 945 H2 DA 1 H2 DA 1 -20.442 13.943 3.745 946 HO5' DA 1 HO5' DA 1 -20.331 16.118 11.491 947 H5' DA 2 H5' DA 2 -22.539 12.166 7.848 948 H5'' DA 2 H5'' DA 2 -23.159 10.934 8.965 949 H4' DA 2 H4' DA 2 -22.919 9.764 6.997 950 H3' DA 2 H3' DA 2 -21.392 8.826 8.967 951 H2' DA 2 H2' DA 2 -19.365 9.990 8.567 952 H2'' DA 2 H2'' DA 2 -19.067 8.602 7.539 953 H1' DA 2 H1' DA 2 -19.545 9.745 5.569 954 H8 DA 2 H8 DA 2 -18.980 12.040 8.607 955 H61 DA 2 H61 DA 2 -16.088 15.254 6.404 956 H62 DA 2 H62 DA 2 -15.592 15.493 4.743 957 H2 DA 2 H2 DA 2 -17.596 12.260 2.346 958 H5' DG 3 H5' DG 3 -20.600 8.773 4.334 959 H5'' DG 3 H5'' DG 3 -21.355 7.170 4.362 960 H4' DG 3 H4' DG 3 -20.357 7.208 2.295 961 H3' DG 3 H3' DG 3 -19.397 5.303 3.881 962 H2' DG 3 H2' DG 3 -17.559 6.449 4.881 963 H2'' DG 3 H2'' DG 3 -16.734 5.775 3.489 964 H1' DG 3 H1' DG 3 -16.747 7.782 2.294 965 H8 DG 3 H8 DG 3 -17.505 8.223 6.042 966 H1 DG 3 H1 DG 3 -13.485 12.513 3.466 967 H21 DG 3 H21 DG 3 -14.323 11.006 0.453 968 H22 DG 3 H22 DG 3 -13.391 12.242 1.263 969 H5' DA 4 H5' DA 4 -16.917 7.418 0.322 970 H5'' DA 4 H5'' DA 4 -17.499 6.030 -0.617 971 H4' DA 4 H4' DA 4 -15.791 6.815 -1.932 972 H3' DA 4 H3' DA 4 -15.309 4.354 -1.051 973 H2' DA 4 H2' DA 4 -14.126 4.829 0.968 974 H2'' DA 4 H2'' DA 4 -12.759 4.783 -0.133 975 H1' DA 4 H1' DA 4 -12.531 7.084 -0.239 976 H8 DA 4 H8 DA 4 -14.743 5.895 2.688 977 H61 DA 4 H61 DA 4 -12.766 8.729 6.098 978 H62 DA 4 H62 DA 4 -11.607 10.034 6.059 979 H2 DA 4 H2 DA 4 -10.444 10.569 1.748 980 H5' DT 5 H5' DT 5 -11.969 7.404 -2.163 981 H5'' DT 5 H5'' DT 5 -11.893 6.660 -3.772 982 H4' DT 5 H4' DT 5 -9.971 7.866 -3.792 983 H3' DT 5 H3' DT 5 -9.456 5.245 -3.768 984 H2' DT 5 H2' DT 5 -9.123 4.862 -1.443 985 H2'' DT 5 H2'' DT 5 -7.482 5.329 -1.856 986 H1' DT 5 H1' DT 5 -7.675 7.474 -1.011 987 H3 DT 5 H3 DT 5 -8.587 7.900 3.329 988 H71 DT 5 H71 DT 5 -12.323 4.839 2.516 989 H72 DT 5 H72 DT 5 -10.967 3.869 3.141 990 H73 DT 5 H73 DT 5 -11.438 3.741 1.429 991 H6 DT 5 H6 DT 5 -10.414 5.167 -0.125 992 H5' DA 6 H5' DA 6 -6.520 8.434 -2.292 993 H5'' DA 6 H5'' DA 6 -5.635 8.420 -3.830 994 H4' DA 6 H4' DA 6 -4.176 9.504 -2.442 995 H3' DA 6 H3' DA 6 -3.263 7.165 -3.380 996 H2' DA 6 H2' DA 6 -3.663 5.707 -1.570 997 H2'' DA 6 H2'' DA 6 -2.135 6.354 -0.992 998 H1' DA 6 H1' DA 6 -3.105 7.745 0.564 999 H8 DA 6 H8 DA 6 -5.704 5.224 -0.809 1000 H61 DA 6 H61 DA 6 -7.532 3.930 3.514 1001 H62 DA 6 H62 DA 6 -7.271 4.503 5.148 1002 H2 DA 6 H2 DA 6 -4.239 7.808 4.880 1003 H5' DA 7 H5' DA 7 -1.734 8.789 0.793 1004 H5'' DA 7 H5'' DA 7 -0.758 9.787 -0.299 1005 H4' DA 7 H4' DA 7 0.383 10.062 1.643 1006 H3' DA 7 H3' DA 7 1.831 8.658 -0.120 1007 H2' DA 7 H2' DA 7 1.455 6.436 0.555 1008 H2'' DA 7 H2'' DA 7 2.705 6.787 1.735 1009 H1' DA 7 H1' DA 7 1.259 6.981 3.488 1010 H8 DA 7 H8 DA 7 -0.010 5.188 0.402 1011 H61 DA 7 H61 DA 7 -3.039 2.086 2.594 1012 H62 DA 7 H62 DA 7 -3.646 1.952 4.229 1013 H2 DA 7 H2 DA 7 -1.810 5.315 6.562 1014 H5' DC 8 H5' DC 8 2.540 9.180 4.592 1015 H5'' DC 8 H5'' DC 8 4.050 10.079 4.340 1016 H4' DC 8 H4' DC 8 4.114 9.369 6.558 1017 H3' DC 8 H3' DC 8 6.174 8.621 5.021 1018 H2' DC 8 H2' DC 8 5.563 6.424 4.400 1019 H2'' DC 8 H2'' DC 8 6.250 6.017 5.961 1020 H1' DC 8 H1' DC 8 4.219 5.727 6.995 1021 H41 DC 8 H41 DC 8 1.311 2.848 1.849 1022 H42 DC 8 H42 DC 8 0.521 2.150 3.269 1023 H5 DC 8 H5 DC 8 2.914 4.573 1.909 1024 H6 DC 8 H6 DC 8 4.172 6.080 3.344 1025 H5' DG 9 H5' DG 9 5.005 6.821 9.539 1026 H5'' DG 9 H5'' DG 9 6.540 7.506 10.112 1027 H4' DG 9 H4' DG 9 5.964 5.872 11.673 1028 H3' DG 9 H3' DG 9 8.356 5.613 10.501 1029 H2' DG 9 H2' DG 9 7.948 4.027 8.814 1030 H2'' DG 9 H2'' DG 9 8.131 2.874 10.124 1031 H1' DG 9 H1' DG 9 5.891 2.431 10.295 1032 H8 DG 9 H8 DG 9 6.583 4.705 7.265 1033 H1 DG 9 H1 DG 9 2.587 -0.199 6.188 1034 H21 DG 9 H21 DG 9 2.901 -0.779 9.602 1035 H22 DG 9 H22 DG 9 2.180 -1.279 8.088 1036 H5' DA 10 H5' DA 10 5.906 2.504 12.270 1037 H5'' DA 10 H5'' DA 10 6.647 2.580 13.880 1038 H4' DA 10 H4' DA 10 5.308 0.710 13.998 1039 H3' DA 10 H3' DA 10 7.896 0.207 14.388 1040 H2' DA 10 H2' DA 10 8.603 -0.479 12.231 1041 H2'' DA 10 H2'' DA 10 7.998 -2.035 12.779 1042 H1' DA 10 H1' DA 10 6.066 -1.923 11.535 1043 H8 DA 10 H8 DA 10 8.415 0.983 10.473 1044 H61 DA 10 H61 DA 10 7.972 0.304 5.667 1045 H62 DA 10 H62 DA 10 7.007 -0.776 4.690 1046 H2 DA 10 H2 DA 10 4.622 -3.291 7.561 1047 H5' DT 11 H5' DT 11 4.694 -3.237 13.115 1048 H5'' DT 11 H5'' DT 11 4.692 -3.687 14.832 1049 H4' DT 11 H4' DT 11 3.836 -5.553 13.771 1050 H3' DT 11 H3' DT 11 6.090 -6.011 15.139 1051 H2' DT 11 H2' DT 11 7.725 -5.860 13.442 1052 H2'' DT 11 H2'' DT 11 7.298 -7.542 13.194 1053 H1' DT 11 H1' DT 11 6.023 -7.137 11.310 1054 H3 DT 11 H3 DT 11 7.695 -4.944 7.793 1055 H71 DT 11 H71 DT 11 9.921 -2.908 12.280 1056 H72 DT 11 H72 DT 11 10.880 -3.085 10.791 1057 H73 DT 11 H73 DT 11 9.645 -1.810 10.907 1058 H6 DT 11 H6 DT 11 8.160 -4.399 12.509 1059 H5' DA 12 H5' DA 12 4.452 -8.460 11.582 1060 H5'' DA 12 H5'' DA 12 3.746 -9.674 12.669 1061 H4' DA 12 H4' DA 12 3.714 -10.731 10.624 1062 H3' DA 12 H3' DA 12 5.196 -12.009 12.417 1063 H2' DA 12 H2' DA 12 7.335 -11.063 12.008 1064 H2'' DA 12 H2'' DA 12 7.415 -12.397 10.870 1065 H1' DA 12 H1' DA 12 7.017 -11.048 9.011 1066 H8 DA 12 H8 DA 12 7.940 -9.040 12.168 1067 H61 DA 12 H61 DA 12 11.043 -5.974 10.038 1068 H62 DA 12 H62 DA 12 11.507 -5.686 8.379 1069 H2 DA 12 H2 DA 12 9.109 -8.560 5.880 1070 H5' DT 13 H5' DT 13 6.123 -12.208 7.919 1071 H5'' DT 13 H5'' DT 13 5.071 -13.631 7.810 1072 H4' DT 13 H4' DT 13 6.135 -13.851 5.837 1073 H3' DT 13 H3' DT 13 6.996 -15.776 7.448 1074 H2' DT 13 H2' DT 13 8.864 -14.675 8.462 1075 H2'' DT 13 H2'' DT 13 9.679 -15.426 7.102 1076 H1' DT 13 H1' DT 13 9.769 -13.467 5.844 1077 H3 DT 13 H3 DT 13 12.019 -9.995 7.498 1078 H71 DT 13 H71 DT 13 10.025 -10.660 11.725 1079 H72 DT 13 H72 DT 13 11.089 -12.086 11.771 1080 H73 DT 13 H73 DT 13 9.331 -12.292 11.579 1081 H6 DT 13 H6 DT 13 8.975 -13.122 9.426 1082 H5' DT 14 H5' DT 14 9.485 -14.050 4.049 1083 H5'' DT 14 H5'' DT 14 8.815 -15.318 3.009 1084 H4' DT 14 H4' DT 14 10.446 -14.482 1.657 1085 H3' DT 14 H3' DT 14 11.019 -16.980 2.377 1086 H2' DT 14 H2' DT 14 12.366 -16.633 4.299 1087 H2'' DT 14 H2'' DT 14 13.638 -16.543 3.092 1088 H1' DT 14 H1' DT 14 13.792 -14.238 3.171 1089 H3 DT 14 H3 DT 14 14.746 -12.174 6.967 1090 H71 DT 14 H71 DT 14 12.595 -15.637 9.301 1091 H72 DT 14 H72 DT 14 11.093 -14.742 8.966 1092 H73 DT 14 H73 DT 14 11.427 -16.270 8.116 1093 H6 DT 14 H6 DT 14 11.707 -15.687 5.862 1094 H5' DT 15 H5' DT 15 14.200 -13.833 1.445 1095 H5'' DT 15 H5'' DT 15 14.097 -14.333 -0.252 1096 H4' DT 15 H4' DT 15 15.995 -13.134 -0.360 1097 H3' DT 15 H3' DT 15 16.595 -15.703 -0.640 1098 H2' DT 15 H2' DT 15 17.080 -16.313 1.604 1099 H2'' DT 15 H2'' DT 15 18.687 -15.788 1.125 1100 H1' DT 15 H1' DT 15 18.539 -13.745 2.215 1101 H3 DT 15 H3 DT 15 17.821 -13.673 6.607 1102 H71 DT 15 H71 DT 15 14.967 -17.746 4.540 1103 H72 DT 15 H72 DT 15 15.435 -17.668 6.254 1104 H73 DT 15 H73 DT 15 14.056 -16.712 5.665 1105 H6 DT 15 H6 DT 15 15.871 -16.165 3.032 1106 H5' DA 16 H5' DA 16 19.459 -12.451 1.156 1107 H5'' DA 16 H5'' DA 16 20.064 -12.243 -0.498 1108 H4' DA 16 H4' DA 16 21.686 -11.187 0.693 1109 H3' DA 16 H3' DA 16 22.637 -13.350 -0.513 1110 HO3' DA 16 HO3' DA 16 23.680 -11.266 0.855 1111 H2' DA 16 H2' DA 16 22.425 -14.983 1.198 1112 H2'' DA 16 H2'' DA 16 24.020 -14.371 1.611 1113 H1' DA 16 H1' DA 16 23.240 -13.111 3.420 1114 H8 DA 16 H8 DA 16 20.693 -15.677 2.114 1115 H61 DA 16 H61 DA 16 19.157 -17.294 6.417 1116 H62 DA 16 H62 DA 16 19.460 -16.803 8.070 1117 H2 DA 16 H2 DA 16 22.267 -13.304 7.868 1118 H5' DT 17 H5' DT 17 22.680 -16.603 15.391 1119 H5'' DT 17 H5'' DT 17 22.462 -16.075 17.070 1120 H4' DT 17 H4' DT 17 23.469 -14.248 16.159 1121 H3' DT 17 H3' DT 17 20.995 -13.680 16.935 1122 H2' DT 17 H2' DT 17 19.786 -14.097 14.928 1123 H2'' DT 17 H2'' DT 17 20.167 -12.407 14.664 1124 H1' DT 17 H1' DT 17 21.888 -12.859 13.149 1125 H3 DT 17 H3 DT 17 20.771 -15.096 9.454 1126 H71 DT 17 H71 DT 17 17.703 -17.628 11.966 1127 H72 DT 17 H72 DT 17 19.126 -18.581 12.449 1128 H73 DT 17 H73 DT 17 18.337 -17.505 13.625 1129 H6 DT 17 H6 DT 17 19.921 -15.842 14.088 1130 HO5' DT 17 HO5' DT 17 20.310 -15.409 16.415 1131 H5' DA 18 H5' DA 18 23.298 -11.456 13.327 1132 H5'' DA 18 H5'' DA 18 23.704 -10.208 14.522 1133 H4' DA 18 H4' DA 18 24.019 -9.130 12.503 1134 H3' DA 18 H3' DA 18 22.153 -8.004 14.032 1135 H2' DA 18 H2' DA 18 20.188 -9.069 13.229 1136 H2'' DA 18 H2'' DA 18 20.227 -7.727 12.098 1137 H1' DA 18 H1' DA 18 21.059 -9.004 10.343 1138 H8 DA 18 H8 DA 18 19.713 -11.155 13.251 1139 H61 DA 18 H61 DA 18 17.215 -14.309 10.539 1140 H62 DA 18 H62 DA 18 17.063 -14.568 8.814 1141 H2 DA 18 H2 DA 18 19.673 -11.483 6.842 1142 H5' DA 19 H5' DA 19 22.230 -8.049 9.301 1143 H5'' DA 19 H5'' DA 19 23.136 -6.533 9.472 1144 H4' DA 19 H4' DA 19 22.517 -6.421 7.285 1145 H3' DA 19 H3' DA 19 21.367 -4.501 8.708 1146 H2' DA 19 H2' DA 19 19.322 -5.553 9.311 1147 H2'' DA 19 H2'' DA 19 18.806 -4.839 7.794 1148 H1' DA 19 H1' DA 19 18.917 -6.835 6.609 1149 H8 DA 19 H8 DA 19 19.015 -7.291 10.434 1150 H61 DA 19 H61 DA 19 15.796 -10.922 10.706 1151 H62 DA 19 H62 DA 19 14.971 -11.891 9.511 1152 H2 DA 19 H2 DA 19 16.374 -10.431 5.498 1153 H5' DA 20 H5' DA 20 19.669 -6.416 4.616 1154 H5'' DA 20 H5'' DA 20 20.434 -5.006 3.860 1155 H4' DA 20 H4' DA 20 19.030 -5.770 2.207 1156 H3' DA 20 H3' DA 20 18.430 -3.297 2.990 1157 H2' DA 20 H2' DA 20 16.814 -3.727 4.680 1158 H2'' DA 20 H2'' DA 20 15.726 -3.688 3.301 1159 H1' DA 20 H1' DA 20 15.479 -5.977 3.197 1160 H8 DA 20 H8 DA 20 17.150 -4.823 6.476 1161 H61 DA 20 H61 DA 20 14.436 -7.503 9.493 1162 H62 DA 20 H62 DA 20 13.233 -8.747 9.241 1163 H2 DA 20 H2 DA 20 12.862 -9.291 4.796 1164 H5' DT 21 H5' DT 21 15.540 -6.272 1.183 1165 H5'' DT 21 H5'' DT 21 15.715 -5.595 -0.448 1166 H4' DT 21 H4' DT 21 13.889 -6.933 -0.729 1167 H3' DT 21 H3' DT 21 13.267 -4.349 -0.988 1168 H2' DT 21 H2' DT 21 12.524 -3.856 1.219 1169 H2'' DT 21 H2'' DT 21 10.997 -4.381 0.529 1170 H1' DT 21 H1' DT 21 11.102 -6.515 1.495 1171 H3 DT 21 H3 DT 21 10.972 -6.569 5.948 1172 H71 DT 21 H71 DT 21 13.551 -2.627 5.974 1173 H72 DT 21 H72 DT 21 14.911 -3.772 5.906 1174 H73 DT 21 H73 DT 21 14.515 -2.777 4.486 1175 H6 DT 21 H6 DT 21 13.644 -4.163 2.817 1176 H5' DA 22 H5' DA 22 9.646 -7.593 -0.291 1177 H5'' DA 22 H5'' DA 22 9.347 -7.415 -2.033 1178 H4' DA 22 H4' DA 22 7.356 -8.266 -1.226 1179 H3' DA 22 H3' DA 22 7.132 -5.860 -2.380 1180 H2' DA 22 H2' DA 22 7.210 -4.404 -0.525 1181 H2'' DA 22 H2'' DA 22 5.499 -4.786 -0.416 1182 H1' DA 22 H1' DA 22 5.724 -6.209 1.349 1183 H8 DA 22 H8 DA 22 8.836 -4.037 0.732 1184 H61 DA 22 H61 DA 22 9.796 -3.058 5.393 1185 H62 DA 22 H62 DA 22 9.137 -3.624 6.907 1186 H2 DA 22 H2 DA 22 5.929 -6.604 5.836 1187 H5' DT 23 H5' DT 23 4.704 -7.573 0.638 1188 H5'' DT 23 H5'' DT 23 3.491 -8.347 -0.397 1189 H4' DT 23 H4' DT 23 2.575 -8.675 1.655 1190 H3' DT 23 H3' DT 23 1.094 -7.026 0.162 1191 H2' DT 23 H2' DT 23 1.793 -4.901 0.930 1192 H2'' DT 23 H2'' DT 23 0.589 -5.208 2.173 1193 H1' DT 23 H1' DT 23 2.140 -5.747 3.793 1194 H3 DT 23 H3 DT 23 5.208 -2.768 4.934 1195 H71 DT 23 H71 DT 23 5.365 -1.328 0.450 1196 H72 DT 23 H72 DT 23 4.934 -2.799 -0.458 1197 H73 DT 23 H73 DT 23 6.550 -2.644 0.274 1198 H6 DT 23 H6 DT 23 3.740 -4.435 0.707 1199 H5' DC 24 H5' DC 24 1.079 -6.927 4.592 1200 H5'' DC 24 H5'' DC 24 -0.190 -8.162 4.698 1201 H4' DC 24 H4' DC 24 -0.141 -7.389 6.842 1202 H3' DC 24 H3' DC 24 -2.450 -6.783 5.606 1203 H2' DC 24 H2' DC 24 -2.138 -4.536 4.982 1204 H2'' DC 24 H2'' DC 24 -2.587 -4.219 6.650 1205 H1' DC 24 H1' DC 24 -0.437 -3.781 7.336 1206 H41 DC 24 H41 DC 24 1.416 -0.581 1.843 1207 H42 DC 24 H42 DC 24 2.258 0.183 3.173 1208 H5 DC 24 H5 DC 24 0.011 -2.537 2.107 1209 H6 DC 24 H6 DC 24 -0.869 -4.161 3.694 1210 H5' DG 25 H5' DG 25 -1.031 -3.794 9.354 1211 H5'' DG 25 H5'' DG 25 -1.948 -4.979 10.308 1212 H4' DG 25 H4' DG 25 -2.233 -3.109 11.574 1213 H3' DG 25 H3' DG 25 -4.529 -3.902 10.470 1214 H2' DG 25 H2' DG 25 -4.646 -2.570 8.530 1215 H2'' DG 25 H2'' DG 25 -5.319 -1.382 9.634 1216 H1' DG 25 H1' DG 25 -3.422 -0.115 9.745 1217 H8 DG 25 H8 DG 25 -3.961 -2.301 6.782 1218 H1 DG 25 H1 DG 25 0.397 2.307 5.761 1219 H21 DG 25 H21 DG 25 0.314 2.706 9.213 1220 H22 DG 25 H22 DG 25 0.998 3.229 7.696 1221 H5' DT 26 H5' DT 26 -3.322 0.120 11.770 1222 H5'' DT 26 H5'' DT 26 -3.948 -0.229 13.393 1223 H4' DT 26 H4' DT 26 -3.488 1.953 13.681 1224 H3' DT 26 H3' DT 26 -6.136 1.696 13.570 1225 H2' DT 26 H2' DT 26 -6.582 2.112 11.280 1226 H2'' DT 26 H2'' DT 26 -6.566 3.784 11.814 1227 H1' DT 26 H1' DT 26 -4.484 4.235 10.943 1228 H3 DT 26 H3 DT 26 -3.389 3.318 6.694 1229 H71 DT 26 H71 DT 26 -5.712 -0.768 6.933 1230 H72 DT 26 H72 DT 26 -7.162 0.261 6.956 1231 H73 DT 26 H73 DT 26 -6.664 -0.605 8.427 1232 H6 DT 26 H6 DT 26 -6.030 1.053 9.955 1233 H5' DT 27 H5' DT 27 -3.855 5.251 12.512 1234 H5'' DT 27 H5'' DT 27 -3.907 5.890 14.167 1235 H4' DT 27 H4' DT 27 -3.002 7.665 13.095 1236 H3' DT 27 H3' DT 27 -5.461 8.235 13.941 1237 H2' DT 27 H2' DT 27 -6.738 7.719 12.007 1238 H2'' DT 27 H2'' DT 27 -6.374 9.395 11.639 1239 H1' DT 27 H1' DT 27 -4.698 8.871 10.097 1240 H3 DT 27 H3 DT 27 -5.757 6.416 6.533 1241 H71 DT 27 H71 DT 27 -9.048 4.248 9.098 1242 H72 DT 27 H72 DT 27 -8.455 4.428 10.765 1243 H73 DT 27 H73 DT 27 -7.709 3.231 9.679 1244 H6 DT 27 H6 DT 27 -6.785 6.023 11.176 1245 H5' DA 28 H5' DA 28 -3.511 10.310 10.156 1246 H5'' DA 28 H5'' DA 28 -2.957 11.536 11.310 1247 H4' DA 28 H4' DA 28 -2.734 12.677 9.365 1248 H3' DA 28 H3' DA 28 -4.635 13.749 10.870 1249 H2' DA 28 H2' DA 28 -6.567 12.639 10.056 1250 H2'' DA 28 H2'' DA 28 -6.553 13.980 8.923 1251 H1' DA 28 H1' DA 28 -5.711 12.720 7.171 1252 H8 DA 28 H8 DA 28 -7.022 10.581 10.091 1253 H61 DA 28 H61 DA 28 -9.388 7.300 7.405 1254 H62 DA 28 H62 DA 28 -9.474 6.991 5.686 1255 H2 DA 28 H2 DA 28 -6.856 10.042 3.697 1256 H5' DT 29 H5' DT 29 -4.645 13.908 6.341 1257 H5'' DT 29 H5'' DT 29 -3.703 15.406 6.447 1258 H4' DT 29 H4' DT 29 -4.300 15.549 4.282 1259 H3' DT 29 H3' DT 29 -5.667 17.381 5.643 1260 H2' DT 29 H2' DT 29 -7.642 16.151 6.172 1261 H2'' DT 29 H2'' DT 29 -8.146 16.833 4.636 1262 H1' DT 29 H1' DT 29 -7.781 14.867 3.441 1263 H3 DT 29 H3 DT 29 -10.154 11.291 4.594 1264 H71 DT 29 H71 DT 29 -10.277 13.291 8.970 1265 H72 DT 29 H72 DT 29 -9.045 12.022 9.157 1266 H73 DT 29 H73 DT 29 -8.564 13.734 9.145 1267 H6 DT 29 H6 DT 29 -7.751 14.547 7.120 1268 H5' DC 30 H5' DC 30 -7.094 15.514 1.764 1269 H5'' DC 30 H5'' DC 30 -6.356 16.847 0.855 1270 H4' DC 30 H4' DC 30 -7.605 15.872 -0.779 1271 H3' DC 30 H3' DC 30 -8.537 18.293 -0.201 1272 H2' DC 30 H2' DC 30 -10.167 17.786 1.445 1273 H2'' DC 30 H2'' DC 30 -11.184 17.628 0.022 1274 H1' DC 30 H1' DC 30 -11.148 15.306 0.045 1275 H41 DC 30 H41 DC 30 -11.834 14.740 6.603 1276 H42 DC 30 H42 DC 30 -12.824 13.512 5.865 1277 H5 DC 30 H5 DC 30 -10.414 16.248 5.309 1278 H6 DC 30 H6 DC 30 -9.633 16.815 3.071 1279 H5' DT 31 H5' DT 31 -11.251 14.972 -1.750 1280 H5'' DT 31 H5'' DT 31 -10.787 15.500 -3.378 1281 H4' DT 31 H4' DT 31 -12.523 14.180 -3.936 1282 H3' DT 31 H3' DT 31 -13.225 16.704 -4.331 1283 H2' DT 31 H2' DT 31 -14.214 17.251 -2.245 1284 H2'' DT 31 H2'' DT 31 -15.644 16.631 -3.052 1285 H1' DT 31 H1' DT 31 -15.602 14.600 -1.937 1286 H3 DT 31 H3 DT 31 -15.823 14.547 2.494 1287 H71 DT 31 H71 DT 31 -12.652 18.664 1.068 1288 H72 DT 31 H72 DT 31 -13.598 18.674 2.573 1289 H73 DT 31 H73 DT 31 -12.111 17.705 2.465 1290 H6 DT 31 H6 DT 31 -13.253 17.124 -0.592 1291 H5' DT 32 H5' DT 32 -16.086 13.511 -3.309 1292 H5'' DT 32 H5'' DT 32 -16.413 13.095 -5.001 1293 H4' DT 32 H4' DT 32 -18.066 11.924 -4.012 1294 H3' DT 32 H3' DT 32 -19.107 13.961 -5.373 1295 HO3' DT 32 HO3' DT 32 -21.205 13.004 -4.366 1296 H2' DT 32 H2' DT 32 -19.281 15.607 -3.658 1297 H2'' DT 32 H2'' DT 32 -20.841 14.823 -3.453 1298 H1' DT 32 H1' DT 32 -20.171 13.605 -1.576 1299 H3 DT 32 H3 DT 32 -18.849 15.847 2.029 1300 H71 DT 32 H71 DT 32 -16.737 18.315 -2.281 1301 H72 DT 32 H72 DT 32 -15.647 18.100 -0.891 1302 H73 DT 32 H73 DT 32 -17.056 19.178 -0.759 1303 H6 DT 32 H6 DT 32 -17.775 16.237 -2.606 Start of MODEL 5 1 H1 LYS 1 H1 LYS 1 2.866 16.527 8.222 2 H2 LYS 1 H2 LYS 1 1.842 17.630 8.988 3 H3 LYS 1 H3 LYS 1 1.287 16.749 7.657 4 HA LYS 1 HA LYS 1 2.049 15.639 10.305 5 HB2 LYS 1 HB3 LYS 1 -0.062 16.861 10.370 6 HB3 LYS 1 HB2 LYS 1 -0.660 15.927 8.977 7 HG2 LYS 1 HG3 LYS 1 -1.686 14.895 10.785 8 HG3 LYS 1 HG2 LYS 1 -0.270 13.859 10.485 9 HD2 LYS 1 HD3 LYS 1 0.903 14.741 12.336 10 HD3 LYS 1 HD2 LYS 1 -0.206 16.126 12.482 11 HE2 LYS 1 HE3 LYS 1 -0.687 14.542 14.246 12 HE3 LYS 1 HE2 LYS 1 -2.034 14.543 13.081 13 HZ1 LYS 1 HZ1 LYS 1 -1.441 12.299 13.738 14 HZ2 LYS 1 HZ2 LYS 1 0.151 12.525 13.211 15 HZ3 LYS 1 HZ3 LYS 1 -1.115 12.530 12.094 16 H VAL 2 H VAL 2 0.474 14.885 7.165 17 HA VAL 2 HA VAL 2 1.142 12.059 7.594 18 HB VAL 2 HB VAL 2 -0.275 11.618 5.606 19 HG11 VAL 2 HG11 VAL 2 -2.423 12.160 6.680 20 HG12 VAL 2 HG12 VAL 2 -1.584 13.279 7.780 21 HG13 VAL 2 HG13 VAL 2 -1.235 11.535 7.848 22 HG21 VAL 2 HG21 VAL 2 -0.815 14.604 5.710 23 HG22 VAL 2 HG22 VAL 2 -1.685 13.426 4.699 24 HG23 VAL 2 HG23 VAL 2 0.046 13.732 4.419 25 H LYS 3 H LYS 3 2.726 14.600 6.354 26 HA LYS 3 HA LYS 3 4.457 14.914 4.920 27 HB2 LYS 3 HB3 LYS 3 4.599 11.899 5.061 28 HB3 LYS 3 HB2 LYS 3 5.836 12.946 4.325 29 HG2 LYS 3 HG3 LYS 3 6.521 13.797 6.366 30 HG3 LYS 3 HG2 LYS 3 4.985 13.390 7.169 31 HD2 LYS 3 HD3 LYS 3 5.551 10.985 6.965 32 HD3 LYS 3 HD2 LYS 3 7.115 11.437 6.245 33 HE2 LYS 3 HE3 LYS 3 7.763 12.593 8.276 34 HE3 LYS 3 HE2 LYS 3 6.163 12.289 8.996 35 HZ1 LYS 3 HZ1 LYS 3 8.101 10.169 8.203 36 HZ2 LYS 3 HZ2 LYS 3 6.618 9.943 8.986 37 HZ3 LYS 3 HZ3 LYS 3 7.875 10.740 9.780 38 H PHE 4 H PHE 4 5.411 14.006 2.696 39 HA PHE 4 HA PHE 4 5.174 13.858 0.468 40 HB2 PHE 4 HB3 PHE 4 3.601 11.798 1.431 41 HB3 PHE 4 HB2 PHE 4 2.540 12.649 0.282 42 HD1 PHE 4 HD2 PHE 4 4.098 13.455 -1.909 43 HD2 PHE 4 HD1 PHE 4 4.606 9.959 0.489 44 HE1 PHE 4 HE2 PHE 4 5.243 12.341 -3.783 45 HE2 PHE 4 HE1 PHE 4 5.754 8.838 -1.380 46 HZ PHE 4 HZ PHE 4 6.078 10.027 -3.524 47 H THR 5 H THR 5 3.613 14.355 -1.399 48 HA THR 5 HA THR 5 1.412 15.997 -1.230 49 HB THR 5 HB THR 5 2.948 17.545 0.060 50 HG1 THR 5 HG1 THR 5 1.788 19.117 -0.759 51 HG21 THR 5 HG21 THR 5 5.028 17.118 -1.179 52 HG22 THR 5 HG22 THR 5 4.606 18.846 -1.215 53 HG23 THR 5 HG23 THR 5 4.308 17.828 -2.644 54 H GLU 6 H GLU 6 1.309 17.476 -3.272 55 HA GLU 6 HA GLU 6 1.614 15.828 -5.537 56 HB2 GLU 6 HB3 GLU 6 1.408 18.832 -5.689 57 HB3 GLU 6 HB2 GLU 6 0.733 17.603 -6.787 58 HG2 GLU 6 HG3 GLU 6 -0.877 16.943 -5.083 59 HG3 GLU 6 HG2 GLU 6 -0.185 18.131 -3.952 60 H GLU 7 H GLU 7 3.540 18.578 -4.389 61 HA GLU 7 HA GLU 7 5.296 18.836 -6.546 62 HB2 GLU 7 HB3 GLU 7 5.921 19.249 -3.614 63 HB3 GLU 7 HB2 GLU 7 6.812 19.929 -4.997 64 HG2 GLU 7 HG3 GLU 7 4.731 21.144 -5.644 65 HG3 GLU 7 HG2 GLU 7 3.992 20.576 -4.127 66 H GLU 8 H GLU 8 5.742 16.930 -3.566 67 HA GLU 8 HA GLU 8 8.253 15.862 -4.312 68 HB2 GLU 8 HB3 GLU 8 6.251 14.627 -2.410 69 HB3 GLU 8 HB2 GLU 8 8.008 14.347 -2.469 70 HG2 GLU 8 HG3 GLU 8 6.606 16.918 -1.707 71 HG3 GLU 8 HG2 GLU 8 7.439 15.790 -0.610 72 H ASP 9 H ASP 9 4.955 14.826 -4.906 73 HA ASP 9 HA ASP 9 5.538 12.196 -5.805 74 HB2 ASP 9 HB3 ASP 9 3.271 13.156 -5.153 75 HB3 ASP 9 HB2 ASP 9 3.245 13.927 -6.758 76 H LEU 10 H LEU 10 5.175 15.296 -7.484 77 HA LEU 10 HA LEU 10 5.601 14.318 -10.110 78 HB2 LEU 10 HB3 LEU 10 6.214 17.057 -8.970 79 HB3 LEU 10 HB2 LEU 10 6.093 16.641 -10.697 80 HG LEU 10 HG LEU 10 3.833 16.516 -8.689 81 HD11 LEU 10 HD11 LEU 10 2.947 18.474 -9.893 82 HD12 LEU 10 HD12 LEU 10 4.425 18.527 -10.883 83 HD13 LEU 10 HD13 LEU 10 4.517 18.817 -9.129 84 HD21 LEU 10 HD21 LEU 10 3.853 16.146 -11.700 85 HD22 LEU 10 HD22 LEU 10 2.404 16.201 -10.668 86 HD23 LEU 10 HD23 LEU 10 3.579 14.879 -10.481 87 H LYS 11 H LYS 11 7.781 15.488 -7.587 88 HA LYS 11 HA LYS 11 10.176 15.449 -9.116 89 HB2 LYS 11 HB3 LYS 11 9.680 15.146 -6.140 90 HB3 LYS 11 HB2 LYS 11 11.298 15.269 -6.872 91 HG2 LYS 11 HG3 LYS 11 10.849 17.504 -7.629 92 HG3 LYS 11 HG2 LYS 11 9.152 17.388 -7.103 93 HD2 LYS 11 HD3 LYS 11 9.994 17.008 -4.760 94 HD3 LYS 11 HD2 LYS 11 11.632 17.370 -5.355 95 HE2 LYS 11 HE3 LYS 11 11.007 19.599 -5.953 96 HE3 LYS 11 HE2 LYS 11 9.284 19.256 -5.663 97 HZ1 LYS 11 HZ1 LYS 11 10.179 20.468 -3.817 98 HZ2 LYS 11 HZ2 LYS 11 11.442 19.362 -3.615 99 HZ3 LYS 11 HZ3 LYS 11 9.844 18.886 -3.301 100 H LEU 12 H LEU 12 8.407 13.036 -7.299 101 HA LEU 12 HA LEU 12 10.349 11.016 -7.139 102 HB2 LEU 12 HB3 LEU 12 8.075 11.087 -6.022 103 HB3 LEU 12 HB2 LEU 12 7.407 10.507 -7.567 104 HG LEU 12 HG LEU 12 8.803 8.479 -7.378 105 HD11 LEU 12 HD11 LEU 12 9.889 7.955 -5.227 106 HD12 LEU 12 HD12 LEU 12 9.493 9.586 -4.635 107 HD13 LEU 12 HD13 LEU 12 10.614 9.384 -6.002 108 HD21 LEU 12 HD21 LEU 12 7.014 9.036 -4.990 109 HD22 LEU 12 HD22 LEU 12 7.506 7.426 -5.567 110 HD23 LEU 12 HD23 LEU 12 6.488 8.465 -6.592 111 H GLN 13 H GLN 13 7.875 11.564 -9.657 112 HA GLN 13 HA GLN 13 8.573 9.441 -11.346 113 HB2 GLN 13 HB3 GLN 13 6.557 10.535 -11.820 114 HB3 GLN 13 HB2 GLN 13 7.326 12.140 -11.844 115 HG2 GLN 13 HG3 GLN 13 6.809 11.653 -14.079 116 HG3 GLN 13 HG2 GLN 13 8.559 11.366 -13.921 117 HE21 GLN 13 HE22 GLN 13 9.327 9.233 -13.952 118 HE22 GLN 13 HE21 GLN 13 8.380 7.935 -14.596 119 H GLN 14 H GLN 14 9.903 12.700 -11.106 120 HA GLN 14 HA GLN 14 11.612 12.477 -13.385 121 HB2 GLN 14 HB3 GLN 14 11.632 14.357 -11.017 122 HB3 GLN 14 HB2 GLN 14 12.751 14.483 -12.396 123 HG2 GLN 14 HG3 GLN 14 9.741 14.553 -12.668 124 HG3 GLN 14 HG2 GLN 14 10.750 16.006 -12.467 125 HE21 GLN 14 HE22 GLN 14 10.178 16.824 -14.463 126 HE22 GLN 14 HE21 GLN 14 10.758 16.155 -15.947 127 H LEU 15 H LEU 15 12.213 12.175 -9.884 128 HA LEU 15 HA LEU 15 14.981 11.615 -10.136 129 HB2 LEU 15 HB3 LEU 15 12.957 11.448 -7.982 130 HB3 LEU 15 HB2 LEU 15 14.391 10.408 -7.805 131 HG LEU 15 HG LEU 15 15.812 12.441 -8.065 132 HD11 LEU 15 HD11 LEU 15 14.784 14.650 -7.721 133 HD12 LEU 15 HD12 LEU 15 13.169 13.905 -7.806 134 HD13 LEU 15 HD13 LEU 15 14.234 13.887 -9.232 135 HD21 LEU 15 HD21 LEU 15 13.835 12.458 -5.769 136 HD22 LEU 15 HD22 LEU 15 15.411 13.283 -5.789 137 HD23 LEU 15 HD23 LEU 15 15.336 11.507 -5.868 138 H VAL 16 H VAL 16 12.133 9.531 -10.033 139 HA VAL 16 HA VAL 16 13.449 7.048 -9.862 140 HB VAL 16 HB VAL 16 10.767 7.880 -11.002 141 HG11 VAL 16 HG11 VAL 16 10.187 5.500 -11.241 142 HG12 VAL 16 HG12 VAL 16 11.866 5.055 -10.855 143 HG13 VAL 16 HG13 VAL 16 11.506 5.969 -12.339 144 HG21 VAL 16 HG21 VAL 16 11.582 6.224 -8.595 145 HG22 VAL 16 HG22 VAL 16 9.912 6.605 -9.076 146 HG23 VAL 16 HG23 VAL 16 11.012 7.910 -8.574 147 H MET 17 H MET 17 12.654 9.091 -12.631 148 HA MET 17 HA MET 17 13.363 7.266 -14.654 149 HB2 MET 17 HB3 MET 17 12.109 9.397 -14.995 150 HB3 MET 17 HB2 MET 17 13.648 10.271 -14.806 151 HG2 MET 17 HG3 MET 17 14.559 9.199 -16.758 152 HG3 MET 17 HG2 MET 17 13.125 8.154 -16.904 153 HE1 MET 17 HE1 MET 17 12.739 10.436 -20.039 154 HE2 MET 17 HE2 MET 17 12.767 8.769 -19.417 155 HE3 MET 17 HE3 MET 17 14.241 9.765 -19.360 156 H ARG 18 H ARG 18 15.353 9.364 -12.665 157 HA ARG 18 HA ARG 18 17.720 8.805 -14.269 158 HB2 ARG 18 HB3 ARG 18 17.210 10.525 -11.852 159 HB3 ARG 18 HB2 ARG 18 18.853 10.194 -12.452 160 HG2 ARG 18 HG3 ARG 18 18.662 11.761 -14.010 161 HG3 ARG 18 HG2 ARG 18 17.150 11.044 -14.618 162 HD2 ARG 18 HD3 ARG 18 16.751 13.333 -13.921 163 HD3 ARG 18 HD2 ARG 18 15.903 12.212 -12.828 164 HE ARG 18 HE ARG 18 18.482 12.918 -11.823 165 HH11 ARG 18 HH11 ARG 18 15.218 14.122 -12.204 166 HH12 ARG 18 HH12 ARG 18 15.304 15.168 -10.821 167 HH21 ARG 18 HH22 ARG 18 18.592 14.294 -9.979 168 HH22 ARG 18 HH21 ARG 18 17.217 15.263 -9.557 169 H TYR 19 H TYR 19 16.359 7.770 -11.179 170 HA TYR 19 HA TYR 19 18.838 6.337 -10.562 171 HB2 TYR 19 HB3 TYR 19 16.342 6.733 -8.909 172 HB3 TYR 19 HB2 TYR 19 17.786 5.834 -8.385 173 HD1 TYR 19 HD2 TYR 19 20.035 7.406 -9.144 174 HD2 TYR 19 HD1 TYR 19 16.214 8.773 -7.794 175 HE1 TYR 19 HE2 TYR 19 21.065 9.507 -8.371 176 HE2 TYR 19 HE1 TYR 19 17.239 10.880 -7.022 177 HH TYR 19 HH TYR 19 20.443 11.778 -7.867 178 H GLY 20 H GLY 20 15.790 5.630 -11.950 179 HA2 GLY 20 HA3 GLY 20 15.413 3.565 -13.067 180 HA3 GLY 20 HA2 GLY 20 16.534 2.784 -11.926 181 H ALA 21 H ALA 21 15.642 1.617 -10.356 182 HA ALA 21 HA ALA 21 13.185 2.429 -9.055 183 HB1 ALA 21 HB1 ALA 21 11.942 0.364 -9.571 184 HB2 ALA 21 HB2 ALA 21 13.234 -0.128 -10.692 185 HB3 ALA 21 HB3 ALA 21 12.264 1.324 -11.035 186 H LYS 22 H LYS 22 16.011 1.807 -8.429 187 HA LYS 22 HA LYS 22 15.450 -0.137 -6.301 188 HB2 LYS 22 HB3 LYS 22 16.618 -1.307 -8.176 189 HB3 LYS 22 HB2 LYS 22 18.018 -0.246 -7.883 190 HG2 LYS 22 HG3 LYS 22 17.797 -1.123 -5.420 191 HG3 LYS 22 HG2 LYS 22 16.903 -2.458 -6.188 192 HD2 LYS 22 HD3 LYS 22 18.787 -3.010 -7.575 193 HD3 LYS 22 HD2 LYS 22 19.669 -1.560 -7.038 194 HE2 LYS 22 HE3 LYS 22 19.573 -2.489 -4.693 195 HE3 LYS 22 HE2 LYS 22 18.931 -3.996 -5.392 196 HZ1 LYS 22 HZ1 LYS 22 21.321 -4.104 -5.061 197 HZ2 LYS 22 HZ2 LYS 22 21.553 -2.757 -6.052 198 HZ3 LYS 22 HZ3 LYS 22 20.949 -4.195 -6.708 199 H ASP 23 H ASP 23 17.703 2.334 -7.503 200 HA ASP 23 HA ASP 23 18.951 2.642 -4.933 201 HB2 ASP 23 HB3 ASP 23 20.023 3.086 -7.203 202 HB3 ASP 23 HB2 ASP 23 19.115 4.618 -7.207 203 H TRP 24 H TRP 24 16.503 2.836 -4.193 204 HA TRP 24 HA TRP 24 15.335 5.449 -4.315 205 HB2 TRP 24 HB3 TRP 24 14.827 3.169 -2.373 206 HB3 TRP 24 HB2 TRP 24 13.811 4.618 -2.571 207 HD1 TRP 24 HD1 TRP 24 14.546 1.222 -4.131 208 HE1 TRP 24 HE1 TRP 24 12.886 0.798 -6.043 209 HE3 TRP 24 HE3 TRP 24 12.359 5.846 -4.362 210 HZ2 TRP 24 HZ2 TRP 24 10.892 2.188 -7.450 211 HZ3 TRP 24 HZ3 TRP 24 10.558 6.219 -6.018 212 HH2 TRP 24 HH2 TRP 24 9.840 4.414 -7.537 213 H ILE 25 H ILE 25 17.858 4.072 -2.484 214 HA ILE 25 HA ILE 25 17.562 5.609 -0.102 215 HB ILE 25 HB ILE 25 20.067 5.113 0.188 216 HG12 ILE 25 HG12 ILE 25 19.445 3.336 -2.189 217 HG13 ILE 25 HG13 ILE 25 20.584 4.704 -2.163 218 HG21 ILE 25 HG21 ILE 25 19.574 2.785 0.846 219 HG22 ILE 25 HG22 ILE 25 18.059 2.850 -0.086 220 HG23 ILE 25 HG23 ILE 25 18.275 3.900 1.334 221 HD11 ILE 25 HD11 ILE 25 21.973 3.516 -0.531 222 HD12 ILE 25 HD12 ILE 25 21.756 2.567 -2.021 223 HD13 ILE 25 HD13 ILE 25 20.834 2.148 -0.558 224 H ARG 26 H ARG 26 19.005 6.222 -3.225 225 HA ARG 26 HA ARG 26 20.478 8.541 -2.531 226 HB2 ARG 26 HB3 ARG 26 20.087 7.064 -4.824 227 HB3 ARG 26 HB2 ARG 26 19.223 8.577 -5.189 228 HG2 ARG 26 HG3 ARG 26 21.552 8.621 -5.972 229 HG3 ARG 26 HG2 ARG 26 21.236 9.866 -4.739 230 HD2 ARG 26 HD3 ARG 26 23.406 8.625 -4.462 231 HD3 ARG 26 HD2 ARG 26 22.329 8.581 -3.046 232 HE ARG 26 HE ARG 26 21.895 6.324 -4.739 233 HH11 ARG 26 HH11 ARG 26 24.173 7.627 -2.417 234 HH12 ARG 26 HH12 ARG 26 24.684 6.069 -1.851 235 HH21 ARG 26 HH22 ARG 26 22.548 4.280 -3.992 236 HH22 ARG 26 HH21 ARG 26 23.769 4.162 -2.749 237 H ILE 27 H ILE 27 17.116 7.898 -3.075 238 HA ILE 27 HA ILE 27 16.354 10.703 -3.261 239 HB ILE 27 HB ILE 27 14.570 8.264 -2.875 240 HG12 ILE 27 HG12 ILE 27 15.359 9.636 -5.462 241 HG13 ILE 27 HG13 ILE 27 16.019 8.086 -4.888 242 HG21 ILE 27 HG21 ILE 27 12.827 9.712 -3.846 243 HG22 ILE 27 HG22 ILE 27 13.992 11.055 -3.928 244 HG23 ILE 27 HG23 ILE 27 13.495 10.403 -2.348 245 HD11 ILE 27 HD11 ILE 27 13.781 7.092 -5.001 246 HD12 ILE 27 HD12 ILE 27 14.287 7.746 -6.577 247 HD13 ILE 27 HD13 ILE 27 13.121 8.642 -5.575 248 H SER 28 H SER 28 16.649 8.151 -0.912 249 HA SER 28 HA SER 28 15.100 9.263 1.180 250 HB2 SER 28 HB3 SER 28 17.506 7.435 1.457 251 HB3 SER 28 HB2 SER 28 16.179 7.662 2.622 252 HG SER 28 HG SER 28 14.768 6.859 0.917 253 H GLN 29 H GLN 29 18.067 10.249 -0.146 254 HA GLN 29 HA GLN 29 19.306 11.351 2.171 255 HB2 GLN 29 HB3 GLN 29 19.502 12.366 -0.679 256 HB3 GLN 29 HB2 GLN 29 20.660 12.634 0.647 257 HG2 GLN 29 HG3 GLN 29 21.106 10.189 0.678 258 HG3 GLN 29 HG2 GLN 29 20.051 10.018 -0.745 259 HE21 GLN 29 HE22 GLN 29 20.699 11.009 -2.705 260 HE22 GLN 29 HE21 GLN 29 22.367 11.354 -3.013 261 H LEU 30 H LEU 30 17.276 12.783 -0.388 262 HA LEU 30 HA LEU 30 16.908 15.253 1.060 263 HB2 LEU 30 HB3 LEU 30 15.349 14.157 -1.299 264 HB3 LEU 30 HB2 LEU 30 15.409 15.847 -0.741 265 HG LEU 30 HG LEU 30 17.765 14.324 -1.870 266 HD11 LEU 30 HD11 LEU 30 17.413 15.667 -3.906 267 HD12 LEU 30 HD12 LEU 30 15.920 16.333 -3.202 268 HD13 LEU 30 HD13 LEU 30 16.033 14.595 -3.572 269 HD21 LEU 30 HD21 LEU 30 17.342 17.270 -1.282 270 HD22 LEU 30 HD22 LEU 30 18.775 16.560 -2.062 271 HD23 LEU 30 HD23 LEU 30 18.388 16.153 -0.373 272 H MET 31 H MET 31 14.959 12.395 0.262 273 HA MET 31 HA MET 31 12.860 13.256 2.143 274 HB2 MET 31 HB3 MET 31 12.945 10.879 0.252 275 HB3 MET 31 HB2 MET 31 11.547 11.419 1.212 276 HG2 MET 31 HG3 MET 31 11.455 13.494 -0.071 277 HG3 MET 31 HG2 MET 31 12.869 12.977 -1.021 278 HE1 MET 31 HE1 MET 31 9.976 12.675 -3.645 279 HE2 MET 31 HE2 MET 31 11.588 13.344 -3.297 280 HE3 MET 31 HE3 MET 31 10.170 13.921 -2.389 281 H ILE 32 H ILE 32 14.036 12.915 4.038 282 HA ILE 32 HA ILE 32 15.034 10.196 4.570 283 HB ILE 32 HB ILE 32 16.596 12.057 4.972 284 HG12 ILE 32 HG12 ILE 32 15.718 10.699 7.531 285 HG13 ILE 32 HG13 ILE 32 16.773 9.993 6.283 286 HG21 ILE 32 HG21 ILE 32 16.227 13.624 6.834 287 HG22 ILE 32 HG22 ILE 32 14.588 12.965 7.051 288 HG23 ILE 32 HG23 ILE 32 15.015 13.810 5.544 289 HD11 ILE 32 HD11 ILE 32 18.446 11.735 6.712 290 HD12 ILE 32 HD12 ILE 32 18.070 10.811 8.186 291 HD13 ILE 32 HD13 ILE 32 17.391 12.440 7.960 292 H THR 33 H THR 33 12.409 12.237 5.230 293 HA THR 33 HA THR 33 11.690 10.998 7.764 294 HB THR 33 HB THR 33 9.495 12.466 6.968 295 HG1 THR 33 HG1 THR 33 11.276 14.338 6.203 296 HG21 THR 33 HG21 THR 33 10.738 12.673 9.103 297 HG22 THR 33 HG22 THR 33 10.432 14.267 8.372 298 HG23 THR 33 HG23 THR 33 12.047 13.528 8.251 299 H ARG 34 H ARG 34 11.784 9.563 5.024 300 HA ARG 34 HA ARG 34 9.165 8.257 5.329 301 HB2 ARG 34 HB3 ARG 34 8.835 9.779 3.529 302 HB3 ARG 34 HB2 ARG 34 10.378 9.316 2.773 303 HG2 ARG 34 HG3 ARG 34 9.483 7.124 2.225 304 HG3 ARG 34 HG2 ARG 34 7.954 7.521 3.046 305 HD2 ARG 34 HD3 ARG 34 9.115 8.904 0.605 306 HD3 ARG 34 HD2 ARG 34 7.707 7.815 0.641 307 HE ARG 34 HE ARG 34 6.519 9.493 1.884 308 HH11 ARG 34 HH11 ARG 34 9.514 10.567 0.419 309 HH12 ARG 34 HH12 ARG 34 9.124 12.249 0.561 310 HH21 ARG 34 HH22 ARG 34 6.011 11.681 2.086 311 HH22 ARG 34 HH21 ARG 34 7.125 12.888 1.513 312 H ASN 35 H ASN 35 9.172 6.134 5.175 313 HA ASN 35 HA ASN 35 11.461 4.520 5.267 314 HB2 ASN 35 HB3 ASN 35 8.691 4.259 5.534 315 HB3 ASN 35 HB2 ASN 35 9.041 3.310 4.069 316 HD21 ASN 35 HD22 ASN 35 8.061 2.486 6.706 317 HD22 ASN 35 HD21 ASN 35 9.177 1.301 7.290 318 HA PRO 36 HA PRO 36 12.898 4.822 1.023 319 HB2 PRO 36 HB3 PRO 36 13.687 1.967 1.674 320 HB3 PRO 36 HB2 PRO 36 14.638 3.240 0.872 321 HG2 PRO 36 HG3 PRO 36 15.042 2.678 3.436 322 HG3 PRO 36 HG2 PRO 36 15.058 4.365 2.869 323 HD2 PRO 36 HD3 PRO 36 12.977 2.906 4.449 324 HD3 PRO 36 HD2 PRO 36 13.429 4.628 4.484 325 H ARG 37 H ARG 37 11.253 1.823 2.068 326 HA ARG 37 HA ARG 37 10.501 1.030 -0.557 327 HB2 ARG 37 HB3 ARG 37 9.853 0.119 2.193 328 HB3 ARG 37 HB2 ARG 37 8.738 -0.340 0.883 329 HG2 ARG 37 HG3 ARG 37 10.153 -1.865 0.070 330 HG3 ARG 37 HG2 ARG 37 11.550 -0.770 0.202 331 HD2 ARG 37 HD3 ARG 37 10.304 -2.166 2.583 332 HD3 ARG 37 HD2 ARG 37 11.641 -2.862 1.635 333 HE ARG 37 HE ARG 37 13.054 -1.121 2.402 334 HH11 ARG 37 HH11 ARG 37 9.872 -1.038 3.862 335 HH12 ARG 37 HH12 ARG 37 10.361 0.000 5.166 336 HH21 ARG 37 HH22 ARG 37 13.700 0.229 4.106 337 HH22 ARG 37 HH21 ARG 37 12.537 0.722 5.302 338 H GLN 38 H GLN 38 9.135 3.322 1.610 339 HA GLN 38 HA GLN 38 6.423 3.187 0.712 340 HB2 GLN 38 HB3 GLN 38 8.061 5.254 2.159 341 HB3 GLN 38 HB2 GLN 38 6.425 5.635 1.569 342 HG2 GLN 38 HG3 GLN 38 7.143 4.510 4.013 343 HG3 GLN 38 HG2 GLN 38 5.508 4.693 3.333 344 HE21 GLN 38 HE22 GLN 38 4.460 2.910 2.503 345 HE22 GLN 38 HE21 GLN 38 4.990 1.301 2.821 346 H CYS 39 H CYS 39 9.314 4.893 -0.355 347 HA CYS 39 HA CYS 39 8.078 6.602 -2.248 348 HB2 CYS 39 HB3 CYS 39 10.847 5.374 -2.391 349 HB3 CYS 39 HB2 CYS 39 10.281 6.853 -3.204 350 HG CYS 39 HG CYS 39 11.783 7.943 -1.278 351 H ARG 40 H ARG 40 9.289 3.286 -2.387 352 HA ARG 40 HA ARG 40 8.819 2.919 -5.197 353 HB2 ARG 40 HB3 ARG 40 10.415 1.487 -4.058 354 HB3 ARG 40 HB2 ARG 40 9.157 0.921 -2.932 355 HG2 ARG 40 HG3 ARG 40 8.375 -0.605 -4.379 356 HG3 ARG 40 HG2 ARG 40 8.529 0.489 -5.774 357 HD2 ARG 40 HD3 ARG 40 10.035 -1.283 -6.186 358 HD3 ARG 40 HD2 ARG 40 11.037 0.083 -5.641 359 HE ARG 40 HE ARG 40 10.285 -1.696 -3.506 360 HH11 ARG 40 HH11 ARG 40 12.552 -1.235 -6.145 361 HH12 ARG 40 HH12 ARG 40 13.809 -2.158 -5.391 362 HH21 ARG 40 HH22 ARG 40 11.968 -2.876 -2.497 363 HH22 ARG 40 HH21 ARG 40 13.487 -3.062 -3.302 364 H GLU 41 H GLU 41 7.041 2.396 -2.219 365 HA GLU 41 HA GLU 41 4.840 0.968 -3.203 366 HB2 GLU 41 HB3 GLU 41 5.340 1.203 -0.830 367 HB3 GLU 41 HB2 GLU 41 5.032 2.954 -0.920 368 HG2 GLU 41 HG3 GLU 41 2.669 2.424 -1.548 369 HG3 GLU 41 HG2 GLU 41 3.027 0.712 -1.219 370 H ARG 42 H ARG 42 5.482 4.467 -3.062 371 HA ARG 42 HA ARG 42 2.854 5.183 -3.990 372 HB2 ARG 42 HB3 ARG 42 5.244 6.570 -3.126 373 HB3 ARG 42 HB2 ARG 42 4.605 7.285 -4.626 374 HG2 ARG 42 HG3 ARG 42 3.161 6.922 -1.992 375 HG3 ARG 42 HG2 ARG 42 3.646 8.449 -2.768 376 HD2 ARG 42 HD3 ARG 42 1.853 6.557 -4.247 377 HD3 ARG 42 HD2 ARG 42 1.172 7.561 -2.943 378 HE ARG 42 HE ARG 42 2.721 8.991 -4.948 379 HH11 ARG 42 HH11 ARG 42 -0.436 7.887 -3.898 380 HH12 ARG 42 HH12 ARG 42 -1.299 9.081 -4.812 381 HH21 ARG 42 HH22 ARG 42 1.603 10.551 -6.173 382 HH22 ARG 42 HH21 ARG 42 -0.135 10.599 -6.114 383 H TRP 43 H TRP 43 6.048 4.893 -5.494 384 HA TRP 43 HA TRP 43 5.318 5.752 -8.073 385 HB2 TRP 43 HB3 TRP 43 7.602 5.682 -7.730 386 HB3 TRP 43 HB2 TRP 43 7.543 4.091 -6.934 387 HD1 TRP 43 HD1 TRP 43 8.091 2.011 -8.405 388 HE1 TRP 43 HE1 TRP 43 8.581 1.642 -10.898 389 HE3 TRP 43 HE3 TRP 43 6.926 6.676 -10.172 390 HZ2 TRP 43 HZ2 TRP 43 8.508 3.101 -13.301 391 HZ3 TRP 43 HZ3 TRP 43 7.168 7.117 -12.594 392 HH2 TRP 43 HH2 TRP 43 7.947 5.352 -14.134 393 H ASN 44 H ASN 44 5.369 2.503 -6.642 394 HA ASN 44 HA ASN 44 4.520 1.261 -9.103 395 HB2 ASN 44 HB3 ASN 44 5.942 0.215 -7.215 396 HB3 ASN 44 HB2 ASN 44 4.376 -0.105 -6.432 397 HD21 ASN 44 HD22 ASN 44 4.281 -2.279 -6.639 398 HD22 ASN 44 HD21 ASN 44 4.265 -3.116 -8.152 399 H ASN 45 H ASN 45 2.802 2.785 -6.520 400 HA ASN 45 HA ASN 45 0.360 1.387 -7.421 401 HB2 ASN 45 HB3 ASN 45 1.064 2.640 -4.771 402 HB3 ASN 45 HB2 ASN 45 -0.623 2.319 -5.240 403 HD21 ASN 45 HD22 ASN 45 2.417 0.942 -4.336 404 HD22 ASN 45 HD21 ASN 45 1.865 -0.691 -4.103 405 H TYR 46 H TYR 46 1.748 4.013 -8.465 406 HA TYR 46 HA TYR 46 -0.807 5.313 -8.878 407 HB2 TYR 46 HB3 TYR 46 -0.172 6.325 -6.790 408 HB3 TYR 46 HB2 TYR 46 1.432 6.746 -7.438 409 HD1 TYR 46 HD2 TYR 46 -2.167 7.579 -7.489 410 HD2 TYR 46 HD1 TYR 46 1.718 8.644 -8.932 411 HE1 TYR 46 HE2 TYR 46 -3.045 9.755 -8.247 412 HE2 TYR 46 HE1 TYR 46 0.843 10.821 -9.682 413 HH TYR 46 HH TYR 46 -1.123 11.932 -10.192 414 H ILE 47 H ILE 47 2.716 5.670 -9.395 415 HA ILE 47 HA ILE 47 2.128 7.154 -11.843 416 HB ILE 47 HB ILE 47 4.953 6.552 -11.086 417 HG12 ILE 47 HG12 ILE 47 3.218 8.585 -9.643 418 HG13 ILE 47 HG13 ILE 47 3.875 7.091 -8.933 419 HG21 ILE 47 HG21 ILE 47 5.251 8.863 -11.895 420 HG22 ILE 47 HG22 ILE 47 3.491 9.006 -12.119 421 HG23 ILE 47 HG23 ILE 47 4.422 7.846 -13.097 422 HD11 ILE 47 HD11 ILE 47 6.154 7.936 -9.262 423 HD12 ILE 47 HD12 ILE 47 5.182 9.044 -8.264 424 HD13 ILE 47 HD13 ILE 47 5.497 9.430 -9.972 425 H ASN 48 H ASN 48 3.170 3.994 -10.889 426 HA ASN 48 HA ASN 48 4.168 3.306 -13.513 427 HB2 ASN 48 HB3 ASN 48 5.101 2.352 -11.385 428 HB3 ASN 48 HB2 ASN 48 3.607 1.394 -11.241 429 HD21 ASN 48 HD22 ASN 48 4.821 -0.527 -11.355 430 HD22 ASN 48 HD21 ASN 48 5.466 -1.098 -12.858 431 HA PRO 49 HA PRO 49 0.137 0.962 -14.034 432 HB2 PRO 49 HB3 PRO 49 -1.491 0.331 -11.992 433 HB3 PRO 49 HB2 PRO 49 0.126 -0.409 -12.072 434 HG2 PRO 49 HG3 PRO 49 -0.853 1.869 -10.381 435 HG3 PRO 49 HG2 PRO 49 0.263 0.547 -9.962 436 HD2 PRO 49 HD3 PRO 49 0.981 3.163 -10.777 437 HD3 PRO 49 HD2 PRO 49 2.069 1.760 -10.648 438 H ALA 50 H ALA 50 -2.501 1.136 -13.549 439 HA ALA 50 HA ALA 50 -3.228 3.961 -13.196 440 HB1 ALA 50 HB1 ALA 50 -4.647 3.897 -15.212 441 HB2 ALA 50 HB2 ALA 50 -4.034 2.269 -15.585 442 HB3 ALA 50 HB3 ALA 50 -2.927 3.663 -15.605 443 H LEU 51 H LEU 51 -4.075 3.254 -11.198 444 HA LEU 51 HA LEU 51 -6.189 1.267 -11.144 445 HB2 LEU 51 HB3 LEU 51 -6.293 2.421 -8.700 446 HB3 LEU 51 HB2 LEU 51 -5.218 1.074 -9.142 447 HG LEU 51 HG LEU 51 -4.045 3.696 -9.681 448 HD11 LEU 51 HD11 LEU 51 -3.634 4.269 -7.321 449 HD12 LEU 51 HD12 LEU 51 -4.727 2.958 -6.816 450 HD13 LEU 51 HD13 LEU 51 -5.365 4.349 -7.726 451 HD21 LEU 51 HD21 LEU 51 -3.196 1.301 -8.022 452 HD22 LEU 51 HD22 LEU 51 -2.156 2.672 -8.476 453 HD23 LEU 51 HD23 LEU 51 -2.803 1.591 -9.733 454 H ARG 52 H ARG 52 -7.790 2.123 -12.438 455 HA ARG 52 HA ARG 52 -9.478 4.082 -11.120 456 HB2 ARG 52 HB3 ARG 52 -9.767 5.331 -13.335 457 HB3 ARG 52 HB2 ARG 52 -8.316 5.664 -12.358 458 HG2 ARG 52 HG3 ARG 52 -6.910 4.540 -13.843 459 HG3 ARG 52 HG2 ARG 52 -8.260 3.668 -14.609 460 HD2 ARG 52 HD3 ARG 52 -7.232 5.595 -15.928 461 HD3 ARG 52 HD2 ARG 52 -9.003 5.593 -15.748 462 HE ARG 52 HE ARG 52 -8.236 7.143 -13.691 463 HH11 ARG 52 HH11 ARG 52 -7.331 7.152 -17.073 464 HH12 ARG 52 HH12 ARG 52 -7.077 8.871 -17.130 465 HH21 ARG 52 HH22 ARG 52 -7.939 9.406 -13.767 466 HH22 ARG 52 HH21 ARG 52 -7.432 10.154 -15.250 467 H THR 53 H THR 53 -10.826 4.427 -13.794 468 HA THR 53 HA THR 53 -12.947 3.689 -14.418 469 HB THR 53 HB THR 53 -12.690 1.525 -15.766 470 HG1 THR 53 HG1 THR 53 -10.543 1.279 -14.295 471 HG21 THR 53 HG21 THR 53 -12.479 3.769 -16.751 472 HG22 THR 53 HG22 THR 53 -11.317 2.636 -17.482 473 HG23 THR 53 HG23 THR 53 -10.765 3.821 -16.274 474 H ASP 54 H ASP 54 -12.981 3.281 -11.739 475 HA ASP 54 HA ASP 54 -14.161 2.206 -10.127 476 HB2 ASP 54 HB3 ASP 54 -15.209 0.757 -12.542 477 HB3 ASP 54 HB2 ASP 54 -15.640 0.216 -10.902 478 HA PRO 55 HA PRO 55 -11.700 -1.118 -8.658 479 HB2 PRO 55 HB3 PRO 55 -13.469 -2.726 -7.265 480 HB3 PRO 55 HB2 PRO 55 -12.906 -1.146 -6.668 481 HG2 PRO 55 HG3 PRO 55 -15.456 -1.843 -8.108 482 HG3 PRO 55 HG2 PRO 55 -15.215 -0.814 -6.675 483 HD2 PRO 55 HD3 PRO 55 -15.543 0.247 -9.137 484 HD3 PRO 55 HD2 PRO 55 -14.456 0.993 -7.941 485 H TRP 56 H TRP 56 -12.511 -3.853 -8.171 486 HA TRP 56 HA TRP 56 -12.207 -4.869 -10.872 487 HB2 TRP 56 HB3 TRP 56 -12.730 -6.845 -8.760 488 HB3 TRP 56 HB2 TRP 56 -11.411 -6.753 -9.952 489 HD1 TRP 56 HD1 TRP 56 -9.599 -4.514 -9.171 490 HE1 TRP 56 HE1 TRP 56 -8.505 -4.309 -6.853 491 HE3 TRP 56 HE3 TRP 56 -12.794 -7.488 -6.498 492 HZ2 TRP 56 HZ2 TRP 56 -8.905 -5.284 -4.244 493 HZ3 TRP 56 HZ3 TRP 56 -12.369 -7.816 -4.088 494 HH2 TRP 56 HH2 TRP 56 -10.451 -6.730 -2.980 495 H SER 57 H SER 57 -13.555 -6.742 -11.569 496 HA SER 57 HA SER 57 -16.385 -6.028 -11.289 497 HB2 SER 57 HB3 SER 57 -15.605 -8.298 -13.029 498 HB3 SER 57 HB2 SER 57 -16.612 -6.875 -13.390 499 HG SER 57 HG SER 57 -13.764 -7.069 -13.373 500 HA PRO 58 HA PRO 58 -17.700 -9.348 -8.696 501 HB2 PRO 58 HB3 PRO 58 -19.348 -10.449 -10.973 502 HB3 PRO 58 HB2 PRO 58 -19.844 -10.051 -9.310 503 HG2 PRO 58 HG3 PRO 58 -20.475 -8.423 -11.298 504 HG3 PRO 58 HG2 PRO 58 -19.912 -7.754 -9.747 505 HD2 PRO 58 HD3 PRO 58 -18.410 -8.074 -12.343 506 HD3 PRO 58 HD2 PRO 58 -18.391 -6.719 -11.188 507 H GLU 59 H GLU 59 -16.480 -10.188 -11.874 508 HA GLU 59 HA GLU 59 -16.277 -13.017 -11.529 509 HB2 GLU 59 HB3 GLU 59 -15.293 -10.936 -13.389 510 HB3 GLU 59 HB2 GLU 59 -14.217 -12.341 -13.202 511 HG2 GLU 59 HG3 GLU 59 -16.301 -13.754 -13.685 512 HG3 GLU 59 HG2 GLU 59 -17.026 -12.234 -14.264 513 H GLU 60 H GLU 60 -14.108 -10.269 -11.046 514 HA GLU 60 HA GLU 60 -11.878 -11.839 -10.188 515 HB2 GLU 60 HB3 GLU 60 -12.454 -8.886 -9.818 516 HB3 GLU 60 HB2 GLU 60 -10.900 -9.689 -9.491 517 HG2 GLU 60 HG3 GLU 60 -10.466 -8.864 -11.562 518 HG3 GLU 60 HG2 GLU 60 -11.164 -10.437 -12.017 519 H ASP 61 H ASP 61 -14.475 -10.074 -8.557 520 HA ASP 61 HA ASP 61 -13.537 -10.295 -5.918 521 HB2 ASP 61 HB3 ASP 61 -15.342 -8.830 -6.276 522 HB3 ASP 61 HB2 ASP 61 -16.303 -10.075 -7.109 523 H MET 62 H MET 62 -15.551 -12.511 -7.827 524 HA MET 62 HA MET 62 -15.806 -14.368 -5.643 525 HB2 MET 62 HB3 MET 62 -16.569 -14.628 -8.553 526 HB3 MET 62 HB2 MET 62 -16.952 -15.811 -7.279 527 HG2 MET 62 HG3 MET 62 -18.353 -14.253 -6.144 528 HG3 MET 62 HG2 MET 62 -17.815 -12.916 -7.189 529 HE1 MET 62 HE1 MET 62 -21.389 -13.021 -8.518 530 HE2 MET 62 HE2 MET 62 -19.985 -12.013 -8.093 531 HE3 MET 62 HE3 MET 62 -20.778 -13.006 -6.847 532 H LEU 63 H LEU 63 -13.692 -14.101 -8.459 533 HA LEU 63 HA LEU 63 -12.663 -16.779 -8.097 534 HB2 LEU 63 HB3 LEU 63 -12.778 -15.493 -10.298 535 HB3 LEU 63 HB2 LEU 63 -11.357 -14.596 -9.711 536 HG LEU 63 HG LEU 63 -10.122 -16.731 -9.547 537 HD11 LEU 63 HD11 LEU 63 -11.028 -18.733 -10.662 538 HD12 LEU 63 HD12 LEU 63 -12.576 -17.890 -10.906 539 HD13 LEU 63 HD13 LEU 63 -12.011 -18.253 -9.258 540 HD21 LEU 63 HD21 LEU 63 -11.301 -16.119 -12.273 541 HD22 LEU 63 HD22 LEU 63 -9.809 -17.040 -11.968 542 HD23 LEU 63 HD23 LEU 63 -9.898 -15.319 -11.524 543 H LEU 64 H LEU 64 -11.742 -13.517 -7.175 544 HA LEU 64 HA LEU 64 -9.115 -14.087 -6.285 545 HB2 LEU 64 HB3 LEU 64 -10.861 -11.847 -6.294 546 HB3 LEU 64 HB2 LEU 64 -10.285 -12.079 -4.625 547 HG LEU 64 HG LEU 64 -8.601 -11.659 -7.101 548 HD11 LEU 64 HD11 LEU 64 -7.914 -9.591 -5.954 549 HD12 LEU 64 HD12 LEU 64 -9.045 -9.956 -4.630 550 HD13 LEU 64 HD13 LEU 64 -9.666 -9.627 -6.265 551 HD21 LEU 64 HD21 LEU 64 -7.747 -12.142 -4.230 552 HD22 LEU 64 HD22 LEU 64 -6.671 -11.682 -5.571 553 HD23 LEU 64 HD23 LEU 64 -7.512 -13.250 -5.603 554 H ASP 65 H ASP 65 -12.268 -14.368 -4.752 555 HA ASP 65 HA ASP 65 -11.479 -14.763 -2.102 556 HB2 ASP 65 HB3 ASP 65 -13.791 -14.503 -2.551 557 HB3 ASP 65 HB2 ASP 65 -13.803 -15.875 -3.686 558 H GLN 66 H GLN 66 -11.413 -16.959 -4.839 559 HA GLN 66 HA GLN 66 -10.696 -19.256 -3.207 560 HB2 GLN 66 HB3 GLN 66 -12.073 -19.447 -5.281 561 HB3 GLN 66 HB2 GLN 66 -10.646 -18.953 -6.224 562 HG2 GLN 66 HG3 GLN 66 -9.439 -20.932 -5.317 563 HG3 GLN 66 HG2 GLN 66 -10.957 -21.448 -4.543 564 HE21 GLN 66 HE22 GLN 66 -12.662 -22.152 -5.838 565 HE22 GLN 66 HE21 GLN 66 -12.418 -22.654 -7.476 566 H LYS 67 H LYS 67 -9.097 -17.164 -5.610 567 HA LYS 67 HA LYS 67 -6.566 -18.420 -5.547 568 HB2 LYS 67 HB3 LYS 67 -7.252 -15.522 -6.125 569 HB3 LYS 67 HB2 LYS 67 -5.691 -16.304 -6.472 570 HG2 LYS 67 HG3 LYS 67 -8.317 -17.212 -7.664 571 HG3 LYS 67 HG2 LYS 67 -7.239 -16.023 -8.435 572 HD2 LYS 67 HD3 LYS 67 -5.401 -17.788 -8.238 573 HD3 LYS 67 HD2 LYS 67 -6.698 -18.941 -7.838 574 HE2 LYS 67 HE3 LYS 67 -7.842 -18.275 -9.973 575 HE3 LYS 67 HE2 LYS 67 -6.403 -17.309 -10.380 576 HZ1 LYS 67 HZ1 LYS 67 -6.273 -19.435 -11.443 577 HZ2 LYS 67 HZ2 LYS 67 -6.511 -20.252 -9.982 578 HZ3 LYS 67 HZ3 LYS 67 -5.088 -19.377 -10.234 579 H TYR 68 H TYR 68 -8.028 -15.981 -3.511 580 HA TYR 68 HA TYR 68 -5.590 -15.303 -2.101 581 HB2 TYR 68 HB3 TYR 68 -7.217 -13.589 -2.255 582 HB3 TYR 68 HB2 TYR 68 -8.525 -14.675 -1.726 583 HD1 TYR 68 HD1 TYR 68 -5.504 -12.828 -0.563 584 HD2 TYR 68 HD2 TYR 68 -9.072 -14.900 0.569 585 HE1 TYR 68 HE1 TYR 68 -5.241 -12.021 1.751 586 HE2 TYR 68 HE2 TYR 68 -8.805 -14.095 2.884 587 HH TYR 68 HH TYR 68 -6.792 -13.306 4.337 588 H ALA 69 H ALA 69 -8.222 -17.566 -1.771 589 HA ALA 69 HA ALA 69 -7.658 -18.236 0.970 590 HB1 ALA 69 HB1 ALA 69 -9.289 -20.048 0.619 591 HB2 ALA 69 HB2 ALA 69 -9.336 -19.658 -1.117 592 HB3 ALA 69 HB3 ALA 69 -9.914 -18.472 0.077 593 H GLU 70 H GLU 70 -6.320 -19.149 -2.064 594 HA GLU 70 HA GLU 70 -5.205 -21.612 -0.907 595 HB2 GLU 70 HB3 GLU 70 -5.675 -20.677 -3.712 596 HB3 GLU 70 HB2 GLU 70 -4.384 -21.859 -3.386 597 HG2 GLU 70 HG3 GLU 70 -7.294 -22.195 -2.623 598 HG3 GLU 70 HG2 GLU 70 -6.519 -22.903 -4.061 599 H TYR 71 H TYR 71 -4.214 -18.556 -2.456 600 HA TYR 71 HA TYR 71 -1.405 -19.249 -2.023 601 HB2 TYR 71 HB3 TYR 71 -2.767 -16.884 -3.323 602 HB3 TYR 71 HB2 TYR 71 -1.010 -16.971 -3.050 603 HD1 TYR 71 HD1 TYR 71 0.371 -18.571 -4.307 604 HD2 TYR 71 HD2 TYR 71 -3.828 -18.215 -5.048 605 HE1 TYR 71 HE1 TYR 71 0.643 -19.792 -6.433 606 HE2 TYR 71 HE2 TYR 71 -3.558 -19.439 -7.170 607 HH TYR 71 HH TYR 71 -2.124 -20.325 -8.607 608 H GLY 72 H GLY 72 -3.867 -17.067 -0.787 609 HA2 GLY 72 HA3 GLY 72 -3.838 -16.466 1.555 610 HA3 GLY 72 HA2 GLY 72 -2.059 -16.452 1.467 611 HA PRO 73 HA PRO 73 -3.589 -12.101 0.824 612 HB2 PRO 73 HB3 PRO 73 -2.098 -10.925 2.802 613 HB3 PRO 73 HB2 PRO 73 -3.666 -11.699 3.138 614 HG2 PRO 73 HG3 PRO 73 -0.884 -12.774 3.521 615 HG3 PRO 73 HG2 PRO 73 -2.294 -12.877 4.603 616 HD2 PRO 73 HD3 PRO 73 -1.505 -14.926 2.964 617 HD3 PRO 73 HD2 PRO 73 -3.196 -14.672 3.461 618 H LYS 74 H LYS 74 -1.573 -13.580 -0.599 619 HA LYS 74 HA LYS 74 0.810 -11.889 -0.614 620 HB2 LYS 74 HB3 LYS 74 0.115 -14.400 -2.164 621 HB3 LYS 74 HB2 LYS 74 1.660 -13.522 -2.277 622 HG2 LYS 74 HG3 LYS 74 2.163 -14.002 0.031 623 HG3 LYS 74 HG2 LYS 74 0.558 -14.735 0.270 624 HD2 LYS 74 HD3 LYS 74 1.114 -16.503 -1.333 625 HD3 LYS 74 HD2 LYS 74 2.709 -15.762 -1.610 626 HE2 LYS 74 HE3 LYS 74 2.832 -17.661 -0.040 627 HE3 LYS 74 HE2 LYS 74 3.315 -16.128 0.725 628 HZ1 LYS 74 HZ1 LYS 74 1.271 -16.008 1.872 629 HZ2 LYS 74 HZ2 LYS 74 1.812 -17.598 2.064 630 HZ3 LYS 74 HZ3 LYS 74 0.573 -17.258 0.960 631 H TRP 75 H TRP 75 -1.001 -10.242 -1.252 632 HA TRP 75 HA TRP 75 -2.053 -10.055 -3.796 633 HB2 TRP 75 HB3 TRP 75 -0.976 -7.730 -2.195 634 HB3 TRP 75 HB2 TRP 75 -2.184 -7.665 -3.501 635 HD1 TRP 75 HD1 TRP 75 -2.033 -7.642 0.127 636 HE1 TRP 75 HE1 TRP 75 -4.247 -8.374 1.185 637 HE3 TRP 75 HE3 TRP 75 -4.253 -9.702 -3.995 638 HZ2 TRP 75 HZ2 TRP 75 -6.637 -9.639 0.411 639 HZ3 TRP 75 HZ3 TRP 75 -6.521 -10.663 -3.759 640 HH2 TRP 75 HH2 TRP 75 -7.694 -10.622 -1.589 641 H ASN 76 H ASN 76 1.254 -9.631 -2.853 642 HA ASN 76 HA ASN 76 2.331 -8.215 -4.997 643 HB2 ASN 76 HB3 ASN 76 3.601 -8.926 -2.994 644 HB3 ASN 76 HB2 ASN 76 3.497 -10.619 -3.535 645 HD21 ASN 76 HD22 ASN 76 5.572 -8.200 -3.244 646 HD22 ASN 76 HD21 ASN 76 6.610 -8.495 -4.605 647 H LYS 77 H LYS 77 1.560 -11.653 -4.682 648 HA LYS 77 HA LYS 77 2.399 -12.293 -7.380 649 HB2 LYS 77 HB3 LYS 77 1.207 -13.792 -5.067 650 HB3 LYS 77 HB2 LYS 77 1.114 -14.493 -6.701 651 HG2 LYS 77 HG3 LYS 77 3.020 -15.384 -5.487 652 HG3 LYS 77 HG2 LYS 77 3.562 -14.407 -6.872 653 HD2 LYS 77 HD3 LYS 77 4.026 -12.521 -5.379 654 HD3 LYS 77 HD2 LYS 77 3.443 -13.465 -3.987 655 HE2 LYS 77 HE3 LYS 77 5.960 -13.360 -4.288 656 HE3 LYS 77 HE2 LYS 77 5.256 -14.988 -4.133 657 HZ1 LYS 77 HZ1 LYS 77 5.443 -15.312 -6.469 658 HZ2 LYS 77 HZ2 LYS 77 6.941 -14.765 -5.916 659 HZ3 LYS 77 HZ3 LYS 77 5.910 -13.707 -6.735 660 H ILE 78 H ILE 78 -0.633 -11.803 -5.624 661 HA ILE 78 HA ILE 78 -2.431 -12.642 -7.605 662 HB ILE 78 HB ILE 78 -2.774 -10.511 -5.473 663 HG12 ILE 78 HG12 ILE 78 -2.245 -12.687 -4.554 664 HG13 ILE 78 HG13 ILE 78 -3.945 -12.271 -4.230 665 HG21 ILE 78 HG21 ILE 78 -5.196 -10.832 -5.767 666 HG22 ILE 78 HG22 ILE 78 -4.879 -11.904 -7.152 667 HG23 ILE 78 HG23 ILE 78 -4.425 -10.185 -7.234 668 HD11 ILE 78 HD11 ILE 78 -4.655 -13.754 -6.050 669 HD12 ILE 78 HD12 ILE 78 -3.704 -14.628 -4.825 670 HD13 ILE 78 HD13 ILE 78 -2.955 -14.170 -6.374 671 H SER 79 H SER 79 -1.002 -9.420 -7.057 672 HA SER 79 HA SER 79 -2.475 -8.078 -9.057 673 HB2 SER 79 HB3 SER 79 -0.488 -6.443 -8.956 674 HB3 SER 79 HB2 SER 79 -1.451 -6.692 -7.479 675 HG SER 79 HG SER 79 0.168 -7.929 -6.626 676 H LYS 80 H LYS 80 -0.020 -10.395 -9.348 677 HA LYS 80 HA LYS 80 0.875 -9.399 -11.946 678 HB2 LYS 80 HB3 LYS 80 1.748 -11.730 -10.239 679 HB3 LYS 80 HB2 LYS 80 2.335 -11.465 -11.899 680 HG2 LYS 80 HG3 LYS 80 3.334 -9.380 -11.294 681 HG3 LYS 80 HG2 LYS 80 2.562 -9.409 -9.691 682 HD2 LYS 80 HD3 LYS 80 3.875 -11.392 -9.089 683 HD3 LYS 80 HD2 LYS 80 4.640 -11.378 -10.696 684 HE2 LYS 80 HE3 LYS 80 6.051 -10.356 -8.918 685 HE3 LYS 80 HE2 LYS 80 5.668 -9.239 -10.250 686 HZ1 LYS 80 HZ1 LYS 80 4.001 -9.289 -7.811 687 HZ2 LYS 80 HZ2 LYS 80 4.227 -8.036 -8.928 688 HZ3 LYS 80 HZ3 LYS 80 5.458 -8.429 -7.837 689 H PHE 81 H PHE 81 -1.380 -11.644 -10.608 690 HA PHE 81 HA PHE 81 -1.703 -13.147 -13.089 691 HB2 PHE 81 HB3 PHE 81 -3.339 -13.152 -10.530 692 HB3 PHE 81 HB2 PHE 81 -3.554 -14.265 -11.903 693 HD1 PHE 81 HD2 PHE 81 -0.851 -15.058 -12.583 694 HD2 PHE 81 HD1 PHE 81 -2.599 -14.397 -8.738 695 HE1 PHE 81 HE2 PHE 81 0.784 -16.605 -11.577 696 HE2 PHE 81 HE1 PHE 81 -0.963 -15.937 -7.724 697 HZ PHE 81 HZ PHE 81 0.732 -17.046 -9.144 698 H LEU 82 H LEU 82 -2.996 -10.388 -11.475 699 HA LEU 82 HA LEU 82 -5.082 -10.083 -13.556 700 HB2 LEU 82 HB3 LEU 82 -5.033 -9.309 -10.637 701 HB3 LEU 82 HB2 LEU 82 -6.086 -8.469 -11.801 702 HG LEU 82 HG LEU 82 -7.478 -9.999 -10.776 703 HD11 LEU 82 HD11 LEU 82 -8.043 -11.685 -12.475 704 HD12 LEU 82 HD12 LEU 82 -6.491 -11.372 -13.288 705 HD13 LEU 82 HD13 LEU 82 -7.718 -10.087 -13.188 706 HD21 LEU 82 HD21 LEU 82 -5.325 -12.110 -11.051 707 HD22 LEU 82 HD22 LEU 82 -6.957 -12.371 -10.390 708 HD23 LEU 82 HD23 LEU 82 -5.823 -11.283 -9.555 709 H LYS 83 H LYS 83 -3.751 -8.992 -14.970 710 HA LYS 83 HA LYS 83 -1.996 -6.882 -14.192 711 HB2 LYS 83 HB3 LYS 83 -1.745 -8.321 -16.229 712 HB3 LYS 83 HB2 LYS 83 -3.106 -7.429 -16.952 713 HG2 LYS 83 HG3 LYS 83 -1.653 -5.326 -16.410 714 HG3 LYS 83 HG2 LYS 83 -0.318 -6.503 -16.345 715 HD2 LYS 83 HD3 LYS 83 -0.882 -7.273 -18.607 716 HD3 LYS 83 HD2 LYS 83 -2.227 -6.108 -18.672 717 HE2 LYS 83 HE3 LYS 83 -0.518 -4.288 -18.270 718 HE3 LYS 83 HE2 LYS 83 0.739 -5.523 -18.523 719 HZ1 LYS 83 HZ1 LYS 83 -0.239 -5.938 -20.726 720 HZ2 LYS 83 HZ2 LYS 83 0.331 -4.357 -20.562 721 HZ3 LYS 83 HZ3 LYS 83 -1.330 -4.669 -20.483 722 H ASN 84 H ASN 84 -3.282 -5.496 -12.981 723 HA ASN 84 HA ASN 84 -4.272 -3.248 -14.364 724 HB2 ASN 84 HB3 ASN 84 -6.152 -4.886 -14.816 725 HB3 ASN 84 HB2 ASN 84 -6.510 -4.828 -13.072 726 HD21 ASN 84 HD22 ASN 84 -6.465 -3.016 -16.063 727 HD22 ASN 84 HD21 ASN 84 -7.492 -1.738 -15.522 728 H ARG 85 H ARG 85 -4.580 -5.112 -11.347 729 HA ARG 85 HA ARG 85 -4.601 -2.552 -9.882 730 HB2 ARG 85 HB3 ARG 85 -5.482 -5.313 -9.045 731 HB3 ARG 85 HB2 ARG 85 -5.353 -3.930 -7.931 732 HG2 ARG 85 HG3 ARG 85 -7.174 -4.195 -10.328 733 HG3 ARG 85 HG2 ARG 85 -7.637 -4.168 -8.610 734 HD2 ARG 85 HD3 ARG 85 -7.509 -1.919 -8.484 735 HD3 ARG 85 HD2 ARG 85 -6.034 -1.851 -9.478 736 HE ARG 85 HE ARG 85 -7.579 -2.216 -11.425 737 HH11 ARG 85 HH11 ARG 85 -8.659 -0.638 -8.493 738 HH12 ARG 85 HH12 ARG 85 -9.983 0.169 -9.265 739 HH21 ARG 85 HH22 ARG 85 -9.294 -1.160 -12.439 740 HH22 ARG 85 HH21 ARG 85 -10.348 -0.123 -11.519 741 H SER 86 H SER 86 -3.205 -2.082 -8.289 742 HA SER 86 HA SER 86 -0.748 -3.682 -8.180 743 HB2 SER 86 HB3 SER 86 -0.940 -1.001 -6.892 744 HB3 SER 86 HB2 SER 86 0.368 -1.715 -7.867 745 HG SER 86 HG SER 86 -0.960 -1.401 -9.722 746 H ASP 87 H ASP 87 0.379 -3.723 -6.085 747 HA ASP 87 HA ASP 87 -0.892 -5.186 -4.184 748 HB2 ASP 87 HB3 ASP 87 1.029 -4.364 -2.644 749 HB3 ASP 87 HB2 ASP 87 1.370 -5.338 -4.095 750 H ASN 88 H ASN 88 0.219 -1.949 -3.127 751 HA ASN 88 HA ASN 88 -1.401 -1.886 -0.857 752 HB2 ASN 88 HB3 ASN 88 0.535 -0.240 -1.778 753 HB3 ASN 88 HB2 ASN 88 -0.902 0.770 -2.064 754 HD21 ASN 88 HD22 ASN 88 -0.892 2.248 -0.474 755 HD22 ASN 88 HD21 ASN 88 -0.757 1.928 1.224 756 H ASN 89 H ASN 89 -2.328 -1.272 -4.133 757 HA ASN 89 HA ASN 89 -4.742 0.162 -3.446 758 HB2 ASN 89 HB3 ASN 89 -3.665 0.584 -5.595 759 HB3 ASN 89 HB2 ASN 89 -3.927 -1.111 -6.072 760 HD21 ASN 89 HD22 ASN 89 -5.501 1.939 -5.347 761 HD22 ASN 89 HD21 ASN 89 -6.980 1.593 -6.173 762 H ILE 90 H ILE 90 -3.997 -3.164 -4.529 763 HA ILE 90 HA ILE 90 -6.662 -4.088 -4.602 764 HB ILE 90 HB ILE 90 -4.162 -5.696 -3.948 765 HG12 ILE 90 HG12 ILE 90 -5.657 -5.323 -6.559 766 HG13 ILE 90 HG13 ILE 90 -4.094 -4.579 -6.143 767 HG21 ILE 90 HG21 ILE 90 -5.515 -7.647 -4.624 768 HG22 ILE 90 HG22 ILE 90 -6.936 -6.591 -4.811 769 HG23 ILE 90 HG23 ILE 90 -6.207 -6.826 -3.204 770 HD11 ILE 90 HD11 ILE 90 -3.074 -6.804 -5.992 771 HD12 ILE 90 HD12 ILE 90 -3.795 -6.522 -7.594 772 HD13 ILE 90 HD13 ILE 90 -4.636 -7.548 -6.408 773 H ARG 91 H ARG 91 -4.253 -4.202 -1.989 774 HA ARG 91 HA ARG 91 -5.801 -5.517 -0.072 775 HB2 ARG 91 HB3 ARG 91 -3.434 -5.157 0.243 776 HB3 ARG 91 HB2 ARG 91 -3.670 -3.393 0.284 777 HG2 ARG 91 HG3 ARG 91 -3.302 -4.396 2.522 778 HG3 ARG 91 HG2 ARG 91 -4.860 -3.547 2.375 779 HD2 ARG 91 HD3 ARG 91 -5.641 -6.017 1.647 780 HD3 ARG 91 HD2 ARG 91 -4.279 -6.448 2.710 781 HE ARG 91 HE ARG 91 -6.783 -5.163 3.487 782 HH11 ARG 91 HH11 ARG 91 -3.593 -6.252 4.369 783 HH12 ARG 91 HH12 ARG 91 -3.892 -6.160 6.080 784 HH21 ARG 91 HH22 ARG 91 -7.192 -5.059 5.752 785 HH22 ARG 91 HH21 ARG 91 -5.925 -5.491 6.861 786 H ASN 92 H ASN 92 -5.553 -2.045 -0.765 787 HA ASN 92 HA ASN 92 -7.250 -1.119 1.288 788 HB2 ASN 92 HB3 ASN 92 -5.943 -0.040 -1.067 789 HB3 ASN 92 HB2 ASN 92 -7.595 0.605 -0.910 790 HD21 ASN 92 HD22 ASN 92 -6.862 2.664 -0.427 791 HD22 ASN 92 HD21 ASN 92 -6.141 3.058 1.094 792 H ARG 93 H ARG 93 -7.932 -1.952 -2.105 793 HA ARG 93 HA ARG 93 -10.720 -1.404 -1.926 794 HB2 ARG 93 HB3 ARG 93 -9.149 -3.046 -3.918 795 HB3 ARG 93 HB2 ARG 93 -10.879 -2.656 -4.072 796 HG2 ARG 93 HG3 ARG 93 -8.598 -0.663 -3.973 797 HG3 ARG 93 HG2 ARG 93 -9.509 -1.152 -5.422 798 HD2 ARG 93 HD3 ARG 93 -11.293 0.132 -4.893 799 HD3 ARG 93 HD2 ARG 93 -11.162 -0.225 -3.153 800 HE ARG 93 HE ARG 93 -9.223 1.609 -4.374 801 HH11 ARG 93 HH11 ARG 93 -12.010 1.110 -2.329 802 HH12 ARG 93 HH12 ARG 93 -11.864 2.640 -1.521 803 HH21 ARG 93 HH22 ARG 93 -8.986 3.616 -3.292 804 HH22 ARG 93 HH21 ARG 93 -10.139 4.067 -2.078 805 H TRP 94 H TRP 94 -8.829 -4.352 -1.469 806 HA TRP 94 HA TRP 94 -10.949 -6.206 -1.401 807 HB2 TRP 94 HB3 TRP 94 -8.601 -6.867 -1.537 808 HB3 TRP 94 HB2 TRP 94 -8.312 -6.229 0.099 809 HD1 TRP 94 HD1 TRP 94 -8.597 -7.895 2.055 810 HE1 TRP 94 HE1 TRP 94 -9.482 -10.296 2.287 811 HE3 TRP 94 HE3 TRP 94 -10.538 -8.515 -2.649 812 HZ2 TRP 94 HZ2 TRP 94 -10.820 -12.207 0.724 813 HZ3 TRP 94 HZ3 TRP 94 -11.614 -10.670 -3.206 814 HH2 TRP 94 HH2 TRP 94 -11.754 -12.487 -1.543 815 H MET 95 H MET 95 -9.474 -4.265 1.170 816 HA MET 95 HA MET 95 -11.062 -5.306 3.289 817 HB2 MET 95 HB3 MET 95 -8.891 -4.055 3.512 818 HB3 MET 95 HB2 MET 95 -9.781 -2.566 3.115 819 HG2 MET 95 HG3 MET 95 -10.937 -2.566 5.123 820 HG3 MET 95 HG2 MET 95 -10.657 -4.302 5.401 821 HE1 MET 95 HE1 MET 95 -8.781 -2.407 8.359 822 HE2 MET 95 HE2 MET 95 -10.078 -3.557 7.956 823 HE3 MET 95 HE3 MET 95 -10.248 -1.838 7.528 824 H MET 96 H MET 96 -11.384 -2.493 1.168 825 HA MET 96 HA MET 96 -13.705 -1.403 2.376 826 HB2 MET 96 HB3 MET 96 -12.315 -0.074 0.915 827 HB3 MET 96 HB2 MET 96 -12.630 -1.174 -0.449 828 HG2 MET 96 HG3 MET 96 -15.162 -0.440 0.233 829 HG3 MET 96 HG2 MET 96 -14.252 1.035 0.640 830 HE1 MET 96 HE1 MET 96 -15.788 1.956 -2.848 831 HE2 MET 96 HE2 MET 96 -15.585 2.449 -1.150 832 HE3 MET 96 HE3 MET 96 -16.551 1.009 -1.549 833 H ILE 97 H ILE 97 -13.322 -3.546 -0.459 834 HA ILE 97 HA ILE 97 -16.116 -3.718 -0.958 835 HB ILE 97 HB ILE 97 -14.211 -4.184 -2.614 836 HG12 ILE 97 HG12 ILE 97 -15.617 -5.832 -3.866 837 HG13 ILE 97 HG13 ILE 97 -16.649 -5.962 -2.422 838 HG21 ILE 97 HG21 ILE 97 -13.581 -6.547 -2.879 839 HG22 ILE 97 HG22 ILE 97 -14.427 -6.937 -1.363 840 HG23 ILE 97 HG23 ILE 97 -13.003 -5.870 -1.338 841 HD11 ILE 97 HD11 ILE 97 -17.172 -3.568 -2.582 842 HD12 ILE 97 HD12 ILE 97 -17.614 -4.435 -4.072 843 HD13 ILE 97 HD13 ILE 97 -16.140 -3.439 -4.026 844 H ALA 98 H ALA 98 -13.939 -5.578 1.053 845 HA ALA 98 HA ALA 98 -15.621 -7.813 1.474 846 HB1 ALA 98 HB1 ALA 98 -14.279 -8.221 3.496 847 HB2 ALA 98 HB2 ALA 98 -13.544 -6.609 3.328 848 HB3 ALA 98 HB3 ALA 98 -13.257 -7.852 2.087 849 H ARG 99 H ARG 99 -15.475 -4.627 2.953 850 HA ARG 99 HA ARG 99 -17.279 -5.209 5.100 851 HB2 ARG 99 HB3 ARG 99 -15.607 -3.270 4.906 852 HB3 ARG 99 HB2 ARG 99 -16.842 -2.475 3.900 853 HG2 ARG 99 HG3 ARG 99 -18.325 -2.245 5.679 854 HG3 ARG 99 HG2 ARG 99 -17.524 -3.511 6.640 855 HD2 ARG 99 HD3 ARG 99 -16.865 -1.533 7.691 856 HD3 ARG 99 HD2 ARG 99 -15.483 -1.926 6.640 857 HE ARG 99 HE ARG 99 -16.235 -0.194 5.133 858 HH11 ARG 99 HH11 ARG 99 -17.731 -0.214 8.305 859 HH12 ARG 99 HH12 ARG 99 -18.240 1.444 8.212 860 HH21 ARG 99 HH22 ARG 99 -16.867 2.019 5.041 861 HH22 ARG 99 HH21 ARG 99 -17.739 2.707 6.374 862 H HIS 100 H HIS 100 -17.674 -4.501 1.751 863 HA HIS 100 HA HIS 100 -20.487 -3.729 2.012 864 HB2 HIS 100 HB3 HIS 100 -18.860 -2.763 0.297 865 HB3 HIS 100 HB2 HIS 100 -18.959 -4.336 -0.532 866 HD1 HIS 100 HD1 HIS 100 -20.758 -4.521 -2.237 867 HD2 HIS 100 HD2 HIS 100 -21.542 -1.493 0.513 868 HE1 HIS 100 HE1 HIS 100 -22.836 -3.366 -3.084 869 HE2 HIS 100 HE2 HIS 100 -23.378 -1.658 -1.308 870 H ARG 101 H ARG 101 -18.494 -6.460 1.170 871 HA ARG 101 HA ARG 101 -20.631 -8.109 0.157 872 HB2 ARG 101 HB3 ARG 101 -18.244 -8.326 -0.521 873 HB3 ARG 101 HB2 ARG 101 -17.856 -8.864 1.132 874 HG2 ARG 101 HG3 ARG 101 -17.995 -10.862 0.004 875 HG3 ARG 101 HG2 ARG 101 -19.643 -10.703 0.659 876 HD2 ARG 101 HD3 ARG 101 -18.958 -9.656 -2.079 877 HD3 ARG 101 HD2 ARG 101 -19.330 -11.379 -1.827 878 HE ARG 101 HE ARG 101 -21.180 -9.119 -1.515 879 HH11 ARG 101 HH11 ARG 101 -20.578 -12.559 -1.475 880 HH12 ARG 101 HH12 ARG 101 -22.254 -12.991 -1.588 881 HH21 ARG 101 HH22 ARG 101 -23.397 -9.669 -1.672 882 HH22 ARG 101 HH21 ARG 101 -23.866 -11.341 -1.710 883 H ALA 102 H ALA 102 -19.101 -7.512 3.229 884 HA ALA 102 HA ALA 102 -20.037 -9.788 4.632 885 HB1 ALA 102 HB1 ALA 102 -19.448 -8.536 6.666 886 HB2 ALA 102 HB2 ALA 102 -19.214 -7.072 5.681 887 HB3 ALA 102 HB3 ALA 102 -18.161 -8.486 5.438 888 H LYS 103 H LYS 103 -21.888 -7.410 3.330 889 HA LYS 103 HA LYS 103 -24.046 -6.761 3.557 890 HB2 LYS 103 HB3 LYS 103 -24.153 -9.171 5.377 891 HB3 LYS 103 HB2 LYS 103 -25.572 -8.236 4.848 892 HG2 LYS 103 HG3 LYS 103 -23.659 -9.638 2.968 893 HG3 LYS 103 HG2 LYS 103 -25.177 -10.346 3.572 894 HD2 LYS 103 HD3 LYS 103 -26.341 -8.277 2.640 895 HD3 LYS 103 HD2 LYS 103 -24.810 -7.918 1.804 896 HE2 LYS 103 HE3 LYS 103 -26.289 -9.117 0.305 897 HE3 LYS 103 HE2 LYS 103 -24.906 -10.153 0.735 898 HZ1 LYS 103 HZ1 LYS 103 -27.602 -10.300 1.989 899 HZ2 LYS 103 HZ2 LYS 103 -26.292 -11.318 2.310 900 HZ3 LYS 103 HZ3 LYS 103 -27.025 -11.344 0.789 901 H HIS 104 H HIS 104 -25.816 -6.682 5.615 902 HA HIS 104 HA HIS 104 -24.525 -5.374 7.885 903 HB2 HIS 104 HB3 HIS 104 -26.057 -3.380 7.640 904 HB3 HIS 104 HB2 HIS 104 -24.714 -3.478 6.476 905 HD1 HIS 104 HD1 HIS 104 -28.441 -3.505 6.697 906 HD2 HIS 104 HD2 HIS 104 -25.492 -3.966 3.795 907 HE1 HIS 104 HE1 HIS 104 -29.644 -3.353 4.489 908 HE2 HIS 104 HE2 HIS 104 -27.810 -3.452 2.760 909 H GLN 105 H GLN 105 -25.460 -6.188 9.613 910 HA GLN 105 HA GLN 105 -28.238 -7.166 9.409 911 HB2 GLN 105 HB3 GLN 105 -26.140 -7.790 11.507 912 HB3 GLN 105 HB2 GLN 105 -27.748 -8.538 11.350 913 HG2 GLN 105 HG3 GLN 105 -27.071 -9.458 9.159 914 HG3 GLN 105 HG2 GLN 105 -25.447 -8.769 9.398 915 HE21 GLN 105 HE22 GLN 105 -25.475 -9.328 12.263 916 HE22 GLN 105 HE21 GLN 105 -25.227 -11.032 12.429 917 H LYS 106 H LYS 106 -29.766 -6.578 10.958 918 HA LYS 106 HA LYS 106 -29.076 -4.728 13.079 919 HB2 LYS 106 HB3 LYS 106 -29.307 -3.386 10.891 920 HB3 LYS 106 HB2 LYS 106 -31.042 -3.769 10.998 921 HG2 LYS 106 HG3 LYS 106 -31.176 -2.646 13.155 922 HG3 LYS 106 HG2 LYS 106 -29.430 -2.304 13.102 923 HD2 LYS 106 HD3 LYS 106 -29.784 -0.992 11.024 924 HD3 LYS 106 HD2 LYS 106 -31.535 -1.279 11.170 925 HE2 LYS 106 HE3 LYS 106 -29.797 0.130 13.221 926 HE3 LYS 106 HE2 LYS 106 -30.877 0.929 12.053 927 HZ1 LYS 106 HZ1 LYS 106 -31.897 0.712 14.240 928 HZ2 LYS 106 HZ2 LYS 106 -31.738 -0.968 14.180 929 HZ3 LYS 106 HZ3 LYS 106 -32.756 -0.178 13.087 930 H SER 107 H SER 107 -31.728 -6.029 11.095 931 HA SER 107 HA SER 107 -32.995 -7.111 13.493 932 HB2 SER 107 HB3 SER 107 -34.464 -5.211 11.630 933 HB3 SER 107 HB2 SER 107 -35.171 -6.103 12.999 934 HG SER 107 HG SER 107 -33.183 -4.898 14.085 935 H5' DA 1 H5' DA 1 -21.629 17.508 12.318 936 H5'' DA 1 H5'' DA 1 -21.722 16.940 13.995 937 H4' DA 1 H4' DA 1 -22.602 15.179 12.816 938 H3' DA 1 H3' DA 1 -20.417 14.525 14.163 939 H2' DA 1 H2' DA 1 -18.745 14.919 12.517 940 H2'' DA 1 H2'' DA 1 -19.083 13.238 12.156 941 H1' DA 1 H1' DA 1 -20.372 13.730 10.273 942 H8 DA 1 H8 DA 1 -18.127 16.579 11.514 943 H61 DA 1 H61 DA 1 -16.682 18.208 7.173 944 H62 DA 1 H62 DA 1 -17.139 17.826 5.532 945 H2 DA 1 H2 DA 1 -20.287 14.630 5.794 946 HO5' DA 1 HO5' DA 1 -19.502 16.228 13.702 947 H5' DA 2 H5' DA 2 -21.865 12.368 9.998 948 H5'' DA 2 H5'' DA 2 -22.551 11.128 11.067 949 H4' DA 2 H4' DA 2 -22.352 9.990 9.089 950 H3' DA 2 H3' DA 2 -20.812 8.964 11.003 951 H2' DA 2 H2' DA 2 -18.760 10.090 10.592 952 H2'' DA 2 H2'' DA 2 -18.516 8.727 9.516 953 H1' DA 2 H1' DA 2 -19.017 9.928 7.594 954 H8 DA 2 H8 DA 2 -18.172 12.058 10.674 955 H61 DA 2 H61 DA 2 -15.392 15.333 8.397 956 H62 DA 2 H62 DA 2 -15.046 15.650 6.713 957 H2 DA 2 H2 DA 2 -17.360 12.617 4.335 958 H5' DG 3 H5' DG 3 -20.217 9.046 6.340 959 H5'' DG 3 H5'' DG 3 -21.035 7.473 6.389 960 H4' DG 3 H4' DG 3 -20.203 7.534 4.253 961 H3' DG 3 H3' DG 3 -19.186 5.533 5.672 962 H2' DG 3 H2' DG 3 -17.233 6.576 6.564 963 H2'' DG 3 H2'' DG 3 -16.547 5.940 5.077 964 H1' DG 3 H1' DG 3 -16.580 7.998 3.980 965 H8 DG 3 H8 DG 3 -17.043 8.310 7.790 966 H1 DG 3 H1 DG 3 -13.172 12.644 5.062 967 H21 DG 3 H21 DG 3 -14.232 11.228 2.076 968 H22 DG 3 H22 DG 3 -13.234 12.437 2.845 969 H5' DA 4 H5' DA 4 -16.988 7.715 2.031 970 H5'' DA 4 H5'' DA 4 -17.629 6.396 1.034 971 H4' DA 4 H4' DA 4 -16.019 7.296 -0.329 972 H3' DA 4 H3' DA 4 -15.484 4.773 0.301 973 H2' DA 4 H2' DA 4 -14.154 5.079 2.264 974 H2'' DA 4 H2'' DA 4 -12.870 5.129 1.065 975 H1' DA 4 H1' DA 4 -12.644 7.432 1.137 976 H8 DA 4 H8 DA 4 -14.637 6.014 4.122 977 H61 DA 4 H61 DA 4 -12.458 8.642 7.578 978 H62 DA 4 H62 DA 4 -11.300 9.953 7.549 979 H2 DA 4 H2 DA 4 -10.407 10.754 3.214 980 H5' DT 5 H5' DT 5 -12.171 7.936 -0.934 981 H5'' DT 5 H5'' DT 5 -12.229 7.254 -2.573 982 H4' DT 5 H4' DT 5 -10.285 8.430 -2.667 983 H3' DT 5 H3' DT 5 -9.836 5.805 -2.834 984 H2' DT 5 H2' DT 5 -9.338 5.270 -0.577 985 H2'' DT 5 H2'' DT 5 -7.721 5.731 -1.081 986 H1' DT 5 H1' DT 5 -7.807 7.819 -0.082 987 H3 DT 5 H3 DT 5 -8.490 8.020 4.326 988 H71 DT 5 H71 DT 5 -12.295 4.990 3.450 989 H72 DT 5 H72 DT 5 -10.931 4.057 4.107 990 H73 DT 5 H73 DT 5 -11.367 3.907 2.388 991 H6 DT 5 H6 DT 5 -10.499 5.474 0.826 992 H5' DA 6 H5' DA 6 -6.744 8.747 -1.347 993 H5'' DA 6 H5'' DA 6 -5.966 8.885 -2.936 994 H4' DA 6 H4' DA 6 -4.412 9.833 -1.558 995 H3' DA 6 H3' DA 6 -3.539 7.601 -2.753 996 H2' DA 6 H2' DA 6 -3.860 5.980 -1.060 997 H2'' DA 6 H2'' DA 6 -2.295 6.569 -0.519 998 H1' DA 6 H1' DA 6 -3.164 7.833 1.199 999 H8 DA 6 H8 DA 6 -5.779 5.323 -0.153 1000 H61 DA 6 H61 DA 6 -7.351 3.827 4.205 1001 H62 DA 6 H62 DA 6 -7.035 4.348 5.843 1002 H2 DA 6 H2 DA 6 -4.135 7.776 5.540 1003 H5' DA 7 H5' DA 7 -1.843 8.899 1.540 1004 H5'' DA 7 H5'' DA 7 -0.930 9.980 0.471 1005 H4' DA 7 H4' DA 7 0.285 10.109 2.392 1006 H3' DA 7 H3' DA 7 1.696 8.969 0.433 1007 H2' DA 7 H2' DA 7 1.369 6.668 0.857 1008 H2'' DA 7 H2'' DA 7 2.698 6.906 1.978 1009 H1' DA 7 H1' DA 7 1.378 6.899 3.847 1010 H8 DA 7 H8 DA 7 0.013 5.261 0.729 1011 H61 DA 7 H61 DA 7 -2.877 1.978 2.881 1012 H62 DA 7 H62 DA 7 -3.412 1.755 4.530 1013 H2 DA 7 H2 DA 7 -1.545 5.049 6.949 1014 H5' DC 8 H5' DC 8 2.659 9.242 5.140 1015 H5'' DC 8 H5'' DC 8 4.164 10.144 4.881 1016 H4' DC 8 H4' DC 8 4.296 9.320 7.058 1017 H3' DC 8 H3' DC 8 6.298 8.644 5.410 1018 H2' DC 8 H2' DC 8 5.650 6.483 4.709 1019 H2'' DC 8 H2'' DC 8 6.404 6.001 6.218 1020 H1' DC 8 H1' DC 8 4.420 5.681 7.332 1021 H41 DC 8 H41 DC 8 1.368 2.924 2.197 1022 H42 DC 8 H42 DC 8 0.698 2.122 3.612 1023 H5 DC 8 H5 DC 8 2.895 4.742 2.256 1024 H6 DC 8 H6 DC 8 4.175 6.219 3.704 1025 H5' DG 9 H5' DG 9 5.194 6.673 9.658 1026 H5'' DG 9 H5'' DG 9 6.694 7.298 10.372 1027 H4' DG 9 H4' DG 9 5.970 5.616 11.818 1028 H3' DG 9 H3' DG 9 8.439 5.355 10.820 1029 H2' DG 9 H2' DG 9 8.087 3.871 9.017 1030 H2'' DG 9 H2'' DG 9 8.229 2.657 10.277 1031 H1' DG 9 H1' DG 9 5.959 2.249 10.392 1032 H8 DG 9 H8 DG 9 6.705 4.521 7.357 1033 H1 DG 9 H1 DG 9 2.877 -0.510 6.221 1034 H21 DG 9 H21 DG 9 3.191 -1.088 9.641 1035 H22 DG 9 H22 DG 9 2.491 -1.613 8.125 1036 H5' DA 10 H5' DA 10 5.674 1.983 12.264 1037 H5'' DA 10 H5'' DA 10 6.409 2.122 13.872 1038 H4' DA 10 H4' DA 10 5.289 0.126 14.013 1039 H3' DA 10 H3' DA 10 7.937 -0.105 14.276 1040 H2' DA 10 H2' DA 10 8.606 -0.702 12.087 1041 H2'' DA 10 H2'' DA 10 8.188 -2.317 12.634 1042 H1' DA 10 H1' DA 10 6.199 -2.394 11.489 1043 H8 DA 10 H8 DA 10 8.324 0.646 10.363 1044 H61 DA 10 H61 DA 10 7.668 0.045 5.573 1045 H62 DA 10 H62 DA 10 6.696 -1.065 4.628 1046 H2 DA 10 H2 DA 10 4.566 -3.723 7.547 1047 H5' DT 11 H5' DT 11 4.999 -3.577 13.176 1048 H5'' DT 11 H5'' DT 11 5.065 -4.170 14.849 1049 H4' DT 11 H4' DT 11 4.130 -5.933 13.693 1050 H3' DT 11 H3' DT 11 6.449 -6.495 14.900 1051 H2' DT 11 H2' DT 11 7.984 -6.228 13.115 1052 H2'' DT 11 H2'' DT 11 7.541 -7.896 12.798 1053 H1' DT 11 H1' DT 11 6.126 -7.383 11.037 1054 H3 DT 11 H3 DT 11 7.703 -5.174 7.502 1055 H71 DT 11 H71 DT 11 10.100 -3.188 11.919 1056 H72 DT 11 H72 DT 11 10.938 -3.234 10.350 1057 H73 DT 11 H73 DT 11 9.667 -2.025 10.643 1058 H6 DT 11 H6 DT 11 8.312 -4.656 12.204 1059 H5' DA 12 H5' DA 12 4.685 -8.915 11.191 1060 H5'' DA 12 H5'' DA 12 4.070 -10.123 12.338 1061 H4' DA 12 H4' DA 12 4.036 -11.254 10.330 1062 H3' DA 12 H3' DA 12 5.639 -12.393 12.116 1063 H2' DA 12 H2' DA 12 7.711 -11.354 11.608 1064 H2'' DA 12 H2'' DA 12 7.827 -12.712 10.501 1065 H1' DA 12 H1' DA 12 7.309 -11.442 8.624 1066 H8 DA 12 H8 DA 12 8.223 -9.318 11.698 1067 H61 DA 12 H61 DA 12 11.053 -6.111 9.388 1068 H62 DA 12 H62 DA 12 11.420 -5.832 7.703 1069 H2 DA 12 H2 DA 12 9.091 -8.874 5.358 1070 H5' DT 13 H5' DT 13 6.347 -12.638 7.689 1071 H5'' DT 13 H5'' DT 13 5.382 -14.121 7.580 1072 H4' DT 13 H4' DT 13 6.346 -14.208 5.549 1073 H3' DT 13 H3' DT 13 7.419 -16.121 7.045 1074 H2' DT 13 H2' DT 13 9.269 -14.928 7.992 1075 H2'' DT 13 H2'' DT 13 10.051 -15.590 6.567 1076 H1' DT 13 H1' DT 13 9.937 -13.600 5.361 1077 H3 DT 13 H3 DT 13 12.137 -10.085 6.959 1078 H71 DT 13 H71 DT 13 11.452 -11.563 11.295 1079 H72 DT 13 H72 DT 13 10.214 -12.833 11.148 1080 H73 DT 13 H73 DT 13 9.732 -11.122 11.207 1081 H6 DT 13 H6 DT 13 9.274 -13.326 8.989 1082 H5' DT 14 H5' DT 14 9.588 -14.130 3.472 1083 H5'' DT 14 H5'' DT 14 8.924 -15.448 2.487 1084 H4' DT 14 H4' DT 14 10.420 -14.549 1.025 1085 H3' DT 14 H3' DT 14 11.172 -17.000 1.751 1086 H2' DT 14 H2' DT 14 12.618 -16.545 3.572 1087 H2'' DT 14 H2'' DT 14 13.804 -16.400 2.285 1088 H1' DT 14 H1' DT 14 13.835 -14.095 2.329 1089 H3 DT 14 H3 DT 14 14.933 -11.984 6.064 1090 H71 DT 14 H71 DT 14 13.047 -15.467 8.543 1091 H72 DT 14 H72 DT 14 11.463 -14.717 8.237 1092 H73 DT 14 H73 DT 14 11.905 -16.232 7.413 1093 H6 DT 14 H6 DT 14 11.974 -15.609 5.138 1094 H5' DT 15 H5' DT 15 14.033 -13.736 0.614 1095 H5'' DT 15 H5'' DT 15 13.882 -14.220 -1.084 1096 H4' DT 15 H4' DT 15 15.660 -12.848 -1.269 1097 H3' DT 15 H3' DT 15 16.446 -15.362 -1.634 1098 H2' DT 15 H2' DT 15 17.108 -15.959 0.564 1099 H2'' DT 15 H2'' DT 15 18.636 -15.310 -0.001 1100 H1' DT 15 H1' DT 15 18.393 -13.290 1.130 1101 H3 DT 15 H3 DT 15 18.016 -13.397 5.558 1102 H71 DT 15 H71 DT 15 15.377 -17.643 3.636 1103 H72 DT 15 H72 DT 15 15.793 -17.444 5.354 1104 H73 DT 15 H73 DT 15 14.353 -16.639 4.690 1105 H6 DT 15 H6 DT 15 15.973 -15.921 2.065 1106 H5' DA 16 H5' DA 16 19.152 -11.913 -0.033 1107 H5'' DA 16 H5'' DA 16 19.732 -11.640 -1.690 1108 H4' DA 16 H4' DA 16 21.290 -10.500 -0.473 1109 H3' DA 16 H3' DA 16 22.376 -12.555 -1.756 1110 HO3' DA 16 HO3' DA 16 23.644 -10.851 -1.576 1111 H2' DA 16 H2' DA 16 22.272 -14.254 -0.085 1112 H2'' DA 16 H2'' DA 16 23.830 -13.558 0.331 1113 H1' DA 16 H1' DA 16 22.998 -12.394 2.173 1114 H8 DA 16 H8 DA 16 20.488 -15.019 0.862 1115 H61 DA 16 H61 DA 16 19.309 -16.923 5.176 1116 H62 DA 16 H62 DA 16 19.724 -16.491 6.822 1117 H2 DA 16 H2 DA 16 22.379 -12.893 6.614 1118 H5' DT 17 H5' DT 17 23.363 -16.488 14.016 1119 H5'' DT 17 H5'' DT 17 23.302 -15.947 15.705 1120 H4' DT 17 H4' DT 17 24.253 -14.136 14.716 1121 H3' DT 17 H3' DT 17 21.837 -13.538 15.654 1122 H2' DT 17 H2' DT 17 20.500 -13.928 13.722 1123 H2'' DT 17 H2'' DT 17 20.895 -12.241 13.438 1124 H1' DT 17 H1' DT 17 22.522 -12.715 11.830 1125 H3 DT 17 H3 DT 17 21.041 -14.816 8.196 1126 H71 DT 17 H71 DT 17 18.800 -17.299 12.357 1127 H72 DT 17 H72 DT 17 18.513 -17.772 10.664 1128 H73 DT 17 H73 DT 17 19.928 -18.406 11.536 1129 H6 DT 17 H6 DT 17 20.656 -15.751 12.856 1130 HO5' DT 17 HO5' DT 17 21.102 -15.071 14.725 1131 H5' DA 18 H5' DA 18 23.885 -11.118 11.841 1132 H5'' DA 18 H5'' DA 18 24.312 -9.916 13.076 1133 H4' DA 18 H4' DA 18 24.364 -8.692 11.125 1134 H3' DA 18 H3' DA 18 22.554 -7.804 12.862 1135 H2' DA 18 H2' DA 18 20.615 -8.964 12.149 1136 H2'' DA 18 H2'' DA 18 20.463 -7.561 11.108 1137 H1' DA 18 H1' DA 18 21.229 -8.672 9.214 1138 H8 DA 18 H8 DA 18 20.269 -11.046 12.091 1139 H61 DA 18 H61 DA 18 17.754 -14.231 9.433 1140 H62 DA 18 H62 DA 18 17.481 -14.429 7.719 1141 H2 DA 18 H2 DA 18 19.749 -11.102 5.695 1142 H5' DA 19 H5' DA 19 22.328 -7.623 8.229 1143 H5'' DA 19 H5'' DA 19 23.157 -6.066 8.406 1144 H4' DA 19 H4' DA 19 22.479 -5.956 6.234 1145 H3' DA 19 H3' DA 19 21.267 -4.113 7.711 1146 H2' DA 19 H2' DA 19 19.292 -5.270 8.352 1147 H2'' DA 19 H2'' DA 19 18.707 -4.567 6.854 1148 H1' DA 19 H1' DA 19 18.886 -6.539 5.646 1149 H8 DA 19 H8 DA 19 19.139 -7.081 9.458 1150 H61 DA 19 H61 DA 19 16.072 -10.827 9.743 1151 H62 DA 19 H62 DA 19 15.237 -11.801 8.551 1152 H2 DA 19 H2 DA 19 16.423 -10.180 4.533 1153 H5' DA 20 H5' DA 20 19.591 -6.129 3.818 1154 H5'' DA 20 H5'' DA 20 20.229 -4.728 2.934 1155 H4' DA 20 H4' DA 20 18.829 -5.710 1.394 1156 H3' DA 20 H3' DA 20 18.093 -3.234 2.029 1157 H2' DA 20 H2' DA 20 16.567 -3.650 3.811 1158 H2'' DA 20 H2'' DA 20 15.433 -3.761 2.476 1159 H1' DA 20 H1' DA 20 15.342 -6.073 2.505 1160 H8 DA 20 H8 DA 20 17.017 -4.680 5.707 1161 H61 DA 20 H61 DA 20 14.516 -7.390 8.874 1162 H62 DA 20 H62 DA 20 13.361 -8.695 8.700 1163 H2 DA 20 H2 DA 20 12.887 -9.386 4.286 1164 H5' DT 21 H5' DT 21 15.145 -6.521 0.476 1165 H5'' DT 21 H5'' DT 21 15.318 -5.834 -1.153 1166 H4' DT 21 H4' DT 21 13.459 -7.128 -1.419 1167 H3' DT 21 H3' DT 21 12.893 -4.532 -1.673 1168 H2' DT 21 H2' DT 21 12.200 -4.014 0.544 1169 H2'' DT 21 H2'' DT 21 10.650 -4.509 -0.112 1170 H1' DT 21 H1' DT 21 10.714 -6.628 0.878 1171 H3 DT 21 H3 DT 21 10.855 -6.766 5.343 1172 H71 DT 21 H71 DT 21 13.232 -2.699 5.260 1173 H72 DT 21 H72 DT 21 14.654 -3.749 5.070 1174 H73 DT 21 H73 DT 21 14.086 -2.765 3.700 1175 H6 DT 21 H6 DT 21 13.248 -4.231 2.087 1176 H5' DA 22 H5' DA 22 9.319 -7.685 -0.722 1177 H5'' DA 22 H5'' DA 22 8.950 -7.584 -2.454 1178 H4' DA 22 H4' DA 22 6.981 -8.382 -1.597 1179 H3' DA 22 H3' DA 22 6.722 -5.941 -2.670 1180 H2' DA 22 H2' DA 22 6.898 -4.541 -0.780 1181 H2'' DA 22 H2'' DA 22 5.188 -4.909 -0.609 1182 H1' DA 22 H1' DA 22 5.480 -6.405 1.098 1183 H8 DA 22 H8 DA 22 8.591 -4.226 0.457 1184 H61 DA 22 H61 DA 22 9.638 -3.366 5.109 1185 H62 DA 22 H62 DA 22 9.014 -3.962 6.630 1186 H2 DA 22 H2 DA 22 5.772 -6.911 5.552 1187 H5' DT 23 H5' DT 23 4.415 -7.737 0.435 1188 H5'' DT 23 H5'' DT 23 3.172 -8.464 -0.600 1189 H4' DT 23 H4' DT 23 2.299 -8.870 1.456 1190 H3' DT 23 H3' DT 23 0.794 -7.128 0.090 1191 H2' DT 23 H2' DT 23 1.545 -5.050 0.933 1192 H2'' DT 23 H2'' DT 23 0.381 -5.404 2.198 1193 H1' DT 23 H1' DT 23 1.974 -6.036 3.740 1194 H3 DT 23 H3 DT 23 5.038 -3.079 4.904 1195 H71 DT 23 H71 DT 23 6.263 -2.767 0.220 1196 H72 DT 23 H72 DT 23 5.061 -1.480 0.471 1197 H73 DT 23 H73 DT 23 4.634 -2.924 -0.476 1198 H6 DT 23 H6 DT 23 3.500 -4.620 0.658 1199 H5' DC 24 H5' DC 24 1.066 -7.395 4.355 1200 H5'' DC 24 H5'' DC 24 -0.259 -8.532 4.651 1201 H4' DC 24 H4' DC 24 0.203 -7.812 6.771 1202 H3' DC 24 H3' DC 24 -2.228 -7.072 5.897 1203 H2' DC 24 H2' DC 24 -1.860 -4.832 5.240 1204 H2'' DC 24 H2'' DC 24 -2.107 -4.523 6.951 1205 H1' DC 24 H1' DC 24 0.145 -4.256 7.415 1206 H41 DC 24 H41 DC 24 1.546 -0.807 1.908 1207 H42 DC 24 H42 DC 24 2.432 -0.079 3.221 1208 H5 DC 24 H5 DC 24 0.206 -2.824 2.190 1209 H6 DC 24 H6 DC 24 -0.576 -4.504 3.780 1210 H5' DG 25 H5' DG 25 -0.348 -4.059 9.607 1211 H5'' DG 25 H5'' DG 25 -1.163 -5.313 10.566 1212 H4' DG 25 H4' DG 25 -1.490 -3.498 11.900 1213 H3' DG 25 H3' DG 25 -3.793 -4.353 10.846 1214 H2' DG 25 H2' DG 25 -4.027 -2.967 8.956 1215 H2'' DG 25 H2'' DG 25 -4.715 -1.847 10.121 1216 H1' DG 25 H1' DG 25 -2.866 -0.504 10.223 1217 H8 DG 25 H8 DG 25 -3.448 -2.579 7.198 1218 H1 DG 25 H1 DG 25 0.728 2.193 6.207 1219 H21 DG 25 H21 DG 25 0.791 2.429 9.670 1220 H22 DG 25 H22 DG 25 1.393 3.048 8.153 1221 H5' DT 26 H5' DT 26 -2.728 -0.382 12.199 1222 H5'' DT 26 H5'' DT 26 -3.263 -0.718 13.856 1223 H4' DT 26 H4' DT 26 -2.830 1.472 14.097 1224 H3' DT 26 H3' DT 26 -5.485 1.175 14.105 1225 H2' DT 26 H2' DT 26 -6.021 1.569 11.829 1226 H2'' DT 26 H2'' DT 26 -6.027 3.241 12.366 1227 H1' DT 26 H1' DT 26 -3.969 3.738 11.448 1228 H3 DT 26 H3 DT 26 -3.097 3.005 7.114 1229 H71 DT 26 H71 DT 26 -6.000 -1.166 8.843 1230 H72 DT 26 H72 DT 26 -5.381 -1.040 7.180 1231 H73 DT 26 H73 DT 26 -6.853 -0.158 7.652 1232 H6 DT 26 H6 DT 26 -5.506 0.558 10.425 1233 H5' DT 27 H5' DT 27 -3.295 4.887 13.004 1234 H5'' DT 27 H5'' DT 27 -3.314 5.419 14.700 1235 H4' DT 27 H4' DT 27 -2.510 7.286 13.702 1236 H3' DT 27 H3' DT 27 -4.941 7.726 14.686 1237 H2' DT 27 H2' DT 27 -6.298 7.303 12.789 1238 H2'' DT 27 H2'' DT 27 -5.979 9.003 12.495 1239 H1' DT 27 H1' DT 27 -4.389 8.599 10.846 1240 H3 DT 27 H3 DT 27 -5.529 6.258 7.231 1241 H71 DT 27 H71 DT 27 -8.675 3.943 9.943 1242 H72 DT 27 H72 DT 27 -7.842 3.903 11.516 1243 H73 DT 27 H73 DT 27 -7.273 2.874 10.180 1244 H6 DT 27 H6 DT 27 -6.348 5.645 11.893 1245 H5' DA 28 H5' DA 28 -3.133 10.045 10.994 1246 H5'' DA 28 H5'' DA 28 -2.546 11.184 12.219 1247 H4' DA 28 H4' DA 28 -2.313 12.429 10.331 1248 H3' DA 28 H3' DA 28 -4.152 13.479 11.932 1249 H2' DA 28 H2' DA 28 -6.141 12.500 11.095 1250 H2'' DA 28 H2'' DA 28 -6.080 13.885 10.015 1251 H1' DA 28 H1' DA 28 -5.346 12.656 8.200 1252 H8 DA 28 H8 DA 28 -6.579 10.440 11.095 1253 H61 DA 28 H61 DA 28 -9.110 7.292 8.411 1254 H62 DA 28 H62 DA 28 -9.294 7.040 6.689 1255 H2 DA 28 H2 DA 28 -6.736 10.143 4.682 1256 H5' DT 29 H5' DT 29 -4.247 13.948 7.502 1257 H5'' DT 29 H5'' DT 29 -3.279 15.433 7.562 1258 H4' DT 29 H4' DT 29 -3.996 15.599 5.437 1259 H3' DT 29 H3' DT 29 -5.263 17.441 6.880 1260 H2' DT 29 H2' DT 29 -7.226 16.234 7.504 1261 H2'' DT 29 H2'' DT 29 -7.800 16.930 5.998 1262 H1' DT 29 H1' DT 29 -7.525 14.971 4.778 1263 H3 DT 29 H3 DT 29 -9.904 11.425 6.007 1264 H71 DT 29 H71 DT 29 -9.734 12.882 10.438 1265 H72 DT 29 H72 DT 29 -8.084 12.224 10.525 1266 H73 DT 29 H73 DT 29 -8.337 13.984 10.478 1267 H6 DT 29 H6 DT 29 -7.295 14.590 8.448 1268 H5' DC 30 H5' DC 30 -6.925 15.625 3.054 1269 H5'' DC 30 H5'' DC 30 -6.219 16.955 2.115 1270 H4' DC 30 H4' DC 30 -7.580 16.009 0.552 1271 H3' DC 30 H3' DC 30 -8.424 18.448 1.183 1272 H2' DC 30 H2' DC 30 -9.971 17.973 2.922 1273 H2'' DC 30 H2'' DC 30 -11.069 17.837 1.557 1274 H1' DC 30 H1' DC 30 -11.079 15.517 1.574 1275 H41 DC 30 H41 DC 30 -11.403 14.856 8.149 1276 H42 DC 30 H42 DC 30 -12.421 13.629 7.442 1277 H5 DC 30 H5 DC 30 -10.047 16.377 6.808 1278 H6 DC 30 H6 DC 30 -9.408 16.998 4.535 1279 H5' DT 31 H5' DT 31 -11.439 15.157 -0.213 1280 H5'' DT 31 H5'' DT 31 -11.065 15.724 -1.852 1281 H4' DT 31 H4' DT 31 -12.954 14.599 -2.322 1282 H3' DT 31 H3' DT 31 -13.440 17.195 -2.526 1283 H2' DT 31 H2' DT 31 -14.211 17.710 -0.343 1284 H2'' DT 31 H2'' DT 31 -15.753 17.264 -1.061 1285 H1' DT 31 H1' DT 31 -15.816 15.179 -0.051 1286 H3 DT 31 H3 DT 31 -15.559 14.792 4.378 1287 H71 DT 31 H71 DT 31 -12.481 18.956 2.884 1288 H72 DT 31 H72 DT 31 -13.206 18.831 4.505 1289 H73 DT 31 H73 DT 31 -11.759 17.880 4.102 1290 H6 DT 31 H6 DT 31 -13.229 17.483 1.204 1291 H5' DT 32 H5' DT 32 -16.815 14.301 -1.501 1292 H5'' DT 32 H5'' DT 32 -17.243 14.145 -3.215 1293 H4' DT 32 H4' DT 32 -19.123 13.299 -2.307 1294 H3' DT 32 H3' DT 32 -19.678 15.674 -3.380 1295 HO3' DT 32 HO3' DT 32 -21.041 13.597 -2.472 1296 H2' DT 32 H2' DT 32 -19.445 17.102 -1.494 1297 H2'' DT 32 H2'' DT 32 -21.134 16.663 -1.291 1298 H1' DT 32 H1' DT 32 -20.703 15.132 0.419 1299 H3 DT 32 H3 DT 32 -18.590 16.458 4.131 1300 H71 DT 32 H71 DT 32 -16.381 19.035 -0.073 1301 H72 DT 32 H72 DT 32 -15.358 18.656 1.332 1302 H73 DT 32 H73 DT 32 -16.638 19.883 1.471 1303 H6 DT 32 H6 DT 32 -17.924 17.363 -0.505 Start of MODEL 6 1 H1 LYS 1 H1 LYS 1 3.458 16.649 8.347 2 H2 LYS 1 H2 LYS 1 2.249 17.754 8.757 3 H3 LYS 1 H3 LYS 1 2.108 16.838 7.345 4 HA LYS 1 HA LYS 1 2.090 15.781 10.120 5 HB2 LYS 1 HB3 LYS 1 0.053 17.036 9.509 6 HB3 LYS 1 HB2 LYS 1 -0.160 15.970 8.100 7 HG2 LYS 1 HG3 LYS 1 -1.638 15.124 9.693 8 HG3 LYS 1 HG2 LYS 1 -0.224 14.048 9.799 9 HD2 LYS 1 HD3 LYS 1 0.558 15.154 11.779 10 HD3 LYS 1 HD2 LYS 1 -0.668 16.434 11.613 11 HE2 LYS 1 HE3 LYS 1 -1.513 14.994 13.274 12 HE3 LYS 1 HE2 LYS 1 -2.407 14.569 11.794 13 HZ1 LYS 1 HZ1 LYS 1 -0.136 13.083 13.011 14 HZ2 LYS 1 HZ2 LYS 1 -0.783 12.726 11.491 15 HZ3 LYS 1 HZ3 LYS 1 -1.744 12.573 12.874 16 H VAL 2 H VAL 2 0.734 14.712 6.995 17 HA VAL 2 HA VAL 2 1.731 12.028 7.502 18 HB VAL 2 HB VAL 2 0.575 11.478 5.330 19 HG11 VAL 2 HG11 VAL 2 -1.693 11.683 6.264 20 HG12 VAL 2 HG12 VAL 2 -1.084 12.835 7.476 21 HG13 VAL 2 HG13 VAL 2 -0.517 11.148 7.488 22 HG21 VAL 2 HG21 VAL 2 -0.353 14.362 5.538 23 HG22 VAL 2 HG22 VAL 2 -0.992 13.144 4.408 24 HG23 VAL 2 HG23 VAL 2 0.699 13.681 4.275 25 H LYS 3 H LYS 3 3.202 14.648 6.422 26 HA LYS 3 HA LYS 3 5.038 15.143 5.187 27 HB2 LYS 3 HB3 LYS 3 5.464 12.153 5.023 28 HB3 LYS 3 HB2 LYS 3 6.683 13.439 4.850 29 HG2 LYS 3 HG3 LYS 3 6.649 13.939 7.142 30 HG3 LYS 3 HG2 LYS 3 5.111 13.079 7.397 31 HD2 LYS 3 HD3 LYS 3 6.355 10.963 6.696 32 HD3 LYS 3 HD2 LYS 3 7.850 11.914 6.864 33 HE2 LYS 3 HE3 LYS 3 7.236 12.420 9.208 34 HE3 LYS 3 HE2 LYS 3 5.785 11.403 9.028 35 HZ1 LYS 3 HZ1 LYS 3 7.358 9.553 8.436 36 HZ2 LYS 3 HZ2 LYS 3 7.431 10.080 10.044 37 HZ3 LYS 3 HZ3 LYS 3 8.630 10.548 8.947 38 H PHE 4 H PHE 4 6.175 14.682 3.035 39 HA PHE 4 HA PHE 4 6.104 14.661 0.750 40 HB2 PHE 4 HB3 PHE 4 5.065 12.239 1.527 41 HB3 PHE 4 HB2 PHE 4 3.777 12.885 0.483 42 HD1 PHE 4 HD1 PHE 4 7.493 12.424 0.520 43 HD2 PHE 4 HD2 PHE 4 3.893 12.477 -1.788 44 HE1 PHE 4 HE1 PHE 4 8.757 11.695 -1.469 45 HE2 PHE 4 HE2 PHE 4 5.156 11.754 -3.779 46 HZ PHE 4 HZ PHE 4 7.594 11.362 -3.623 47 H THR 5 H THR 5 4.192 14.579 -1.111 48 HA THR 5 HA THR 5 1.748 15.767 -0.748 49 HB THR 5 HB THR 5 3.033 17.690 0.267 50 HG1 THR 5 HG1 THR 5 1.568 19.034 -0.567 51 HG21 THR 5 HG21 THR 5 4.999 17.649 -1.209 52 HG22 THR 5 HG22 THR 5 4.193 19.235 -1.260 53 HG23 THR 5 HG23 THR 5 3.972 18.081 -2.597 54 H GLU 6 H GLU 6 1.204 17.198 -2.856 55 HA GLU 6 HA GLU 6 1.494 15.402 -5.037 56 HB2 GLU 6 HB3 GLU 6 0.628 18.305 -5.090 57 HB3 GLU 6 HB2 GLU 6 0.316 17.076 -6.340 58 HG2 GLU 6 HG3 GLU 6 -1.170 15.884 -4.916 59 HG3 GLU 6 HG2 GLU 6 -0.699 16.859 -3.503 60 H GLU 7 H GLU 7 3.097 18.472 -4.252 61 HA GLU 7 HA GLU 7 4.472 18.776 -6.689 62 HB2 GLU 7 HB3 GLU 7 5.312 19.704 -3.932 63 HB3 GLU 7 HB2 GLU 7 5.932 20.310 -5.486 64 HG2 GLU 7 HG3 GLU 7 3.574 21.015 -6.030 65 HG3 GLU 7 HG2 GLU 7 3.150 20.623 -4.346 66 H GLU 8 H GLU 8 5.234 16.945 -3.789 67 HA GLU 8 HA GLU 8 7.916 16.311 -4.638 68 HB2 GLU 8 HB3 GLU 8 6.300 14.828 -2.560 69 HB3 GLU 8 HB2 GLU 8 8.071 14.927 -2.719 70 HG2 GLU 8 HG3 GLU 8 6.139 17.019 -1.742 71 HG3 GLU 8 HG2 GLU 8 7.527 16.292 -0.896 72 H ASP 9 H ASP 9 4.746 14.933 -5.010 73 HA ASP 9 HA ASP 9 5.350 12.294 -5.735 74 HB2 ASP 9 HB3 ASP 9 3.082 13.842 -5.540 75 HB3 ASP 9 HB2 ASP 9 3.215 13.605 -7.300 76 H LEU 10 H LEU 10 5.102 15.240 -7.685 77 HA LEU 10 HA LEU 10 5.669 14.068 -10.199 78 HB2 LEU 10 HB3 LEU 10 6.248 16.899 -9.281 79 HB3 LEU 10 HB2 LEU 10 6.091 16.330 -10.961 80 HG LEU 10 HG LEU 10 3.837 16.269 -8.951 81 HD11 LEU 10 HD11 LEU 10 2.987 18.285 -10.082 82 HD12 LEU 10 HD12 LEU 10 4.477 18.362 -11.052 83 HD13 LEU 10 HD13 LEU 10 4.551 18.581 -9.287 84 HD21 LEU 10 HD21 LEU 10 3.903 16.039 -11.977 85 HD22 LEU 10 HD22 LEU 10 2.438 16.053 -10.968 86 HD23 LEU 10 HD23 LEU 10 3.603 14.715 -10.826 87 H LYS 11 H LYS 11 7.713 15.369 -7.640 88 HA LYS 11 HA LYS 11 10.150 15.399 -9.103 89 HB2 LYS 11 HB3 LYS 11 9.642 15.158 -6.123 90 HB3 LYS 11 HB2 LYS 11 11.228 15.462 -6.872 91 HG2 LYS 11 HG3 LYS 11 10.489 17.593 -7.709 92 HG3 LYS 11 HG2 LYS 11 8.823 17.277 -7.163 93 HD2 LYS 11 HD3 LYS 11 9.764 17.079 -4.814 94 HD3 LYS 11 HD2 LYS 11 11.293 17.716 -5.466 95 HE2 LYS 11 HE3 LYS 11 10.220 19.759 -6.150 96 HE3 LYS 11 HE2 LYS 11 8.617 19.114 -5.722 97 HZ1 LYS 11 HZ1 LYS 11 9.316 20.535 -3.982 98 HZ2 LYS 11 HZ2 LYS 11 10.836 19.808 -3.871 99 HZ3 LYS 11 HZ3 LYS 11 9.456 18.956 -3.384 100 H LEU 12 H LEU 12 8.455 12.958 -7.240 101 HA LEU 12 HA LEU 12 10.513 11.061 -7.015 102 HB2 LEU 12 HB3 LEU 12 8.346 10.958 -5.819 103 HB3 LEU 12 HB2 LEU 12 7.554 10.529 -7.355 104 HG LEU 12 HG LEU 12 9.004 8.490 -7.434 105 HD11 LEU 12 HD11 LEU 12 10.057 7.744 -5.334 106 HD12 LEU 12 HD12 LEU 12 9.652 9.306 -4.584 107 HD13 LEU 12 HD13 LEU 12 10.791 9.244 -5.950 108 HD21 LEU 12 HD21 LEU 12 7.169 8.792 -5.040 109 HD22 LEU 12 HD22 LEU 12 7.680 7.252 -5.770 110 HD23 LEU 12 HD23 LEU 12 6.680 8.390 -6.703 111 H GLN 13 H GLN 13 8.006 11.430 -9.530 112 HA GLN 13 HA GLN 13 8.765 9.294 -11.164 113 HB2 GLN 13 HB3 GLN 13 6.688 10.522 -11.492 114 HB3 GLN 13 HB2 GLN 13 7.599 11.977 -11.964 115 HG2 GLN 13 HG3 GLN 13 6.688 10.911 -13.925 116 HG3 GLN 13 HG2 GLN 13 8.463 10.769 -13.934 117 HE21 GLN 13 HE22 GLN 13 9.405 8.749 -13.610 118 HE22 GLN 13 HE21 GLN 13 8.502 7.283 -13.774 119 H GLN 14 H GLN 14 10.016 12.592 -11.011 120 HA GLN 14 HA GLN 14 11.734 12.363 -13.287 121 HB2 GLN 14 HB3 GLN 14 11.542 14.275 -10.973 122 HB3 GLN 14 HB2 GLN 14 12.921 14.342 -12.097 123 HG2 GLN 14 HG3 GLN 14 10.007 14.572 -12.880 124 HG3 GLN 14 HG2 GLN 14 11.132 15.936 -12.669 125 HE21 GLN 14 HE22 GLN 14 9.633 14.920 -15.024 126 HE22 GLN 14 HE21 GLN 14 10.833 14.693 -16.253 127 H LEU 15 H LEU 15 12.254 12.024 -9.789 128 HA LEU 15 HA LEU 15 15.038 11.529 -9.955 129 HB2 LEU 15 HB3 LEU 15 12.939 11.329 -7.899 130 HB3 LEU 15 HB2 LEU 15 14.328 10.238 -7.681 131 HG LEU 15 HG LEU 15 15.849 12.101 -7.612 132 HD11 LEU 15 HD11 LEU 15 15.066 14.434 -7.687 133 HD12 LEU 15 HD12 LEU 15 13.425 13.867 -8.075 134 HD13 LEU 15 HD13 LEU 15 14.759 13.584 -9.219 135 HD21 LEU 15 HD21 LEU 15 13.429 12.576 -5.849 136 HD22 LEU 15 HD22 LEU 15 15.066 13.211 -5.560 137 HD23 LEU 15 HD23 LEU 15 14.773 11.456 -5.522 138 H VAL 16 H VAL 16 12.237 9.359 -9.940 139 HA VAL 16 HA VAL 16 13.703 6.923 -9.892 140 HB VAL 16 HB VAL 16 10.925 7.523 -10.979 141 HG11 VAL 16 HG11 VAL 16 10.527 5.094 -10.846 142 HG12 VAL 16 HG12 VAL 16 12.233 4.840 -10.407 143 HG13 VAL 16 HG13 VAL 16 11.813 5.483 -12.012 144 HG21 VAL 16 HG21 VAL 16 11.863 6.313 -8.358 145 HG22 VAL 16 HG22 VAL 16 10.169 6.496 -8.870 146 HG23 VAL 16 HG23 VAL 16 11.172 7.937 -8.582 147 H MET 17 H MET 17 12.792 9.121 -12.457 148 HA MET 17 HA MET 17 13.391 7.354 -14.624 149 HB2 MET 17 HB3 MET 17 11.919 9.332 -14.836 150 HB3 MET 17 HB2 MET 17 13.331 10.385 -14.580 151 HG2 MET 17 HG3 MET 17 14.359 9.348 -16.617 152 HG3 MET 17 HG2 MET 17 12.806 8.527 -16.904 153 HE1 MET 17 HE1 MET 17 12.758 11.284 -19.669 154 HE2 MET 17 HE2 MET 17 12.571 9.551 -19.306 155 HE3 MET 17 HE3 MET 17 14.155 10.337 -19.104 156 H ARG 18 H ARG 18 15.251 9.745 -12.795 157 HA ARG 18 HA ARG 18 17.546 9.421 -14.543 158 HB2 ARG 18 HB3 ARG 18 16.915 11.158 -12.194 159 HB3 ARG 18 HB2 ARG 18 18.612 10.904 -12.667 160 HG2 ARG 18 HG3 ARG 18 18.378 12.540 -14.147 161 HG3 ARG 18 HG2 ARG 18 17.242 11.504 -15.045 162 HD2 ARG 18 HD3 ARG 18 16.249 13.687 -14.563 163 HD3 ARG 18 HD2 ARG 18 15.378 12.385 -13.717 164 HE ARG 18 HE ARG 18 17.046 13.176 -11.806 165 HH11 ARG 18 HH11 ARG 18 15.120 15.088 -14.012 166 HH12 ARG 18 HH12 ARG 18 14.949 16.413 -12.911 167 HH21 ARG 18 HH22 ARG 18 16.808 14.906 -10.353 168 HH22 ARG 18 HH21 ARG 18 15.905 16.311 -10.818 169 H TYR 19 H TYR 19 16.721 8.480 -11.208 170 HA TYR 19 HA TYR 19 19.338 7.236 -10.868 171 HB2 TYR 19 HB3 TYR 19 16.915 7.327 -9.058 172 HB3 TYR 19 HB2 TYR 19 18.474 6.575 -8.640 173 HD1 TYR 19 HD2 TYR 19 20.406 8.555 -9.670 174 HD2 TYR 19 HD1 TYR 19 16.701 9.139 -7.612 175 HE1 TYR 19 HE2 TYR 19 21.222 10.721 -8.823 176 HE2 TYR 19 HE1 TYR 19 17.512 11.307 -6.766 177 HH TYR 19 HH TYR 19 20.334 12.811 -7.980 178 H GLY 20 H GLY 20 15.988 6.186 -11.263 179 HA2 GLY 20 HA3 GLY 20 15.677 4.123 -12.582 180 HA3 GLY 20 HA2 GLY 20 17.001 3.427 -11.616 181 H ALA 21 H ALA 21 15.452 1.720 -11.106 182 HA ALA 21 HA ALA 21 13.521 2.552 -9.024 183 HB1 ALA 21 HB1 ALA 21 12.204 0.549 -9.602 184 HB2 ALA 21 HB2 ALA 21 13.360 0.174 -10.902 185 HB3 ALA 21 HB3 ALA 21 12.378 1.655 -10.985 186 H LYS 22 H LYS 22 16.398 1.841 -8.822 187 HA LYS 22 HA LYS 22 16.080 -0.378 -6.895 188 HB2 LYS 22 HB3 LYS 22 17.269 -1.106 -8.964 189 HB3 LYS 22 HB2 LYS 22 18.537 0.089 -8.600 190 HG2 LYS 22 HG3 LYS 22 19.341 -2.006 -7.844 191 HG3 LYS 22 HG2 LYS 22 18.859 -1.097 -6.392 192 HD2 LYS 22 HD3 LYS 22 16.654 -2.307 -6.470 193 HD3 LYS 22 HD2 LYS 22 17.323 -3.317 -7.775 194 HE2 LYS 22 HE3 LYS 22 18.461 -3.048 -4.973 195 HE3 LYS 22 HE2 LYS 22 17.502 -4.419 -5.580 196 HZ1 LYS 22 HZ1 LYS 22 19.873 -4.887 -5.627 197 HZ2 LYS 22 HZ2 LYS 22 20.150 -3.562 -6.637 198 HZ3 LYS 22 HZ3 LYS 22 19.241 -4.870 -7.194 199 H ASP 23 H ASP 23 18.078 2.408 -7.825 200 HA ASP 23 HA ASP 23 19.317 2.547 -5.216 201 HB2 ASP 23 HB3 ASP 23 20.307 3.222 -7.541 202 HB3 ASP 23 HB2 ASP 23 19.473 4.764 -7.233 203 H TRP 24 H TRP 24 16.924 2.644 -4.398 204 HA TRP 24 HA TRP 24 15.662 5.220 -4.427 205 HB2 TRP 24 HB3 TRP 24 15.346 2.867 -2.528 206 HB3 TRP 24 HB2 TRP 24 14.282 4.293 -2.586 207 HD1 TRP 24 HD1 TRP 24 14.891 0.944 -4.263 208 HE1 TRP 24 HE1 TRP 24 13.115 0.574 -6.083 209 HE3 TRP 24 HE3 TRP 24 12.826 5.626 -4.340 210 HZ2 TRP 24 HZ2 TRP 24 11.102 2.047 -7.385 211 HZ3 TRP 24 HZ3 TRP 24 10.967 6.076 -5.903 212 HH2 TRP 24 HH2 TRP 24 10.122 4.311 -7.405 213 H ILE 25 H ILE 25 18.316 3.865 -2.827 214 HA ILE 25 HA ILE 25 18.290 5.153 -0.320 215 HB ILE 25 HB ILE 25 20.808 4.580 -1.916 216 HG12 ILE 25 HG12 ILE 25 19.289 2.569 -0.234 217 HG13 ILE 25 HG13 ILE 25 19.164 2.662 -2.008 218 HG21 ILE 25 HG21 ILE 25 21.733 4.096 0.318 219 HG22 ILE 25 HG22 ILE 25 20.155 4.478 1.048 220 HG23 ILE 25 HG23 ILE 25 21.083 5.750 0.218 221 HD11 ILE 25 HD11 ILE 25 21.567 2.199 -2.200 222 HD12 ILE 25 HD12 ILE 25 20.720 0.907 -1.315 223 HD13 ILE 25 HD13 ILE 25 21.691 2.106 -0.427 224 H ARG 26 H ARG 26 19.513 6.126 -3.493 225 HA ARG 26 HA ARG 26 20.765 8.523 -2.720 226 HB2 ARG 26 HB3 ARG 26 20.314 7.143 -5.098 227 HB3 ARG 26 HB2 ARG 26 19.482 8.701 -5.325 228 HG2 ARG 26 HG3 ARG 26 21.837 8.668 -6.137 229 HG3 ARG 26 HG2 ARG 26 21.506 9.918 -4.913 230 HD2 ARG 26 HD3 ARG 26 23.673 8.547 -4.685 231 HD3 ARG 26 HD2 ARG 26 22.659 8.758 -3.237 232 HE ARG 26 HE ARG 26 22.082 6.343 -4.712 233 HH11 ARG 26 HH11 ARG 26 24.137 7.790 -2.254 234 HH12 ARG 26 HH12 ARG 26 24.471 6.274 -1.476 235 HH21 ARG 26 HH22 ARG 26 22.530 4.370 -3.694 236 HH22 ARG 26 HH21 ARG 26 23.566 4.327 -2.300 237 H ILE 27 H ILE 27 17.393 7.765 -3.389 238 HA ILE 27 HA ILE 27 16.541 10.528 -3.372 239 HB ILE 27 HB ILE 27 14.906 7.968 -3.136 240 HG12 ILE 27 HG12 ILE 27 15.516 9.637 -5.593 241 HG13 ILE 27 HG13 ILE 27 16.323 8.105 -5.181 242 HG21 ILE 27 HG21 ILE 27 13.037 9.363 -3.928 243 HG22 ILE 27 HG22 ILE 27 14.096 10.793 -3.899 244 HG23 ILE 27 HG23 ILE 27 13.690 9.955 -2.382 245 HD11 ILE 27 HD11 ILE 27 14.174 6.931 -5.340 246 HD12 ILE 27 HD12 ILE 27 14.576 7.768 -6.858 247 HD13 ILE 27 HD13 ILE 27 13.368 8.463 -5.752 248 H SER 28 H SER 28 16.890 7.894 -1.097 249 HA SER 28 HA SER 28 15.271 8.957 0.996 250 HB2 SER 28 HB3 SER 28 17.657 7.120 1.340 251 HB3 SER 28 HB2 SER 28 16.230 7.278 2.393 252 HG SER 28 HG SER 28 15.685 6.629 -0.255 253 H GLN 29 H GLN 29 18.346 9.807 -0.220 254 HA GLN 29 HA GLN 29 19.379 10.950 2.208 255 HB2 GLN 29 HB3 GLN 29 20.200 11.394 -0.675 256 HB3 GLN 29 HB2 GLN 29 21.085 11.980 0.755 257 HG2 GLN 29 HG3 GLN 29 21.430 9.673 1.496 258 HG3 GLN 29 HG2 GLN 29 20.527 9.078 0.082 259 HE21 GLN 29 HE22 GLN 29 21.702 11.103 -1.689 260 HE22 GLN 29 HE21 GLN 29 23.326 10.584 -1.988 261 H LEU 30 H LEU 30 17.220 11.922 -0.267 262 HA LEU 30 HA LEU 30 17.254 14.745 0.570 263 HB2 LEU 30 HB3 LEU 30 15.547 13.362 -1.525 264 HB3 LEU 30 HB2 LEU 30 15.733 15.115 -1.277 265 HG LEU 30 HG LEU 30 17.870 13.211 -2.262 266 HD11 LEU 30 HD11 LEU 30 17.619 14.413 -4.397 267 HD12 LEU 30 HD12 LEU 30 16.271 15.347 -3.705 268 HD13 LEU 30 HD13 LEU 30 16.117 13.587 -3.918 269 HD21 LEU 30 HD21 LEU 30 17.906 16.226 -1.919 270 HD22 LEU 30 HD22 LEU 30 19.182 15.253 -2.687 271 HD23 LEU 30 HD23 LEU 30 18.822 15.043 -0.956 272 H MET 31 H MET 31 15.128 11.939 0.277 273 HA MET 31 HA MET 31 13.201 13.129 2.165 274 HB2 MET 31 HB3 MET 31 12.994 10.563 0.551 275 HB3 MET 31 HB2 MET 31 11.697 11.355 1.477 276 HG2 MET 31 HG3 MET 31 11.615 13.185 -0.064 277 HG3 MET 31 HG2 MET 31 13.074 12.610 -0.907 278 HE1 MET 31 HE1 MET 31 10.360 12.008 -3.649 279 HE2 MET 31 HE2 MET 31 11.958 12.699 -3.280 280 HE3 MET 31 HE3 MET 31 10.497 13.387 -2.532 281 H ILE 32 H ILE 32 14.292 12.868 4.066 282 HA ILE 32 HA ILE 32 15.304 10.182 4.761 283 HB ILE 32 HB ILE 32 16.883 12.111 4.931 284 HG12 ILE 32 HG12 ILE 32 17.672 11.587 7.256 285 HG13 ILE 32 HG13 ILE 32 16.200 10.606 7.460 286 HG21 ILE 32 HG21 ILE 32 16.658 13.684 6.809 287 HG22 ILE 32 HG22 ILE 32 15.052 13.007 7.170 288 HG23 ILE 32 HG23 ILE 32 15.336 13.848 5.628 289 HD11 ILE 32 HD11 ILE 32 16.888 9.185 5.584 290 HD12 ILE 32 HD12 ILE 32 18.121 9.216 6.867 291 HD13 ILE 32 HD13 ILE 32 18.360 10.166 5.381 292 H THR 33 H THR 33 12.720 12.285 5.312 293 HA THR 33 HA THR 33 12.088 11.248 7.960 294 HB THR 33 HB THR 33 10.052 12.888 6.582 295 HG1 THR 33 HG1 THR 33 12.238 14.448 7.287 296 HG21 THR 33 HG21 THR 33 10.076 12.450 9.012 297 HG22 THR 33 HG22 THR 33 10.228 14.190 8.669 298 HG23 THR 33 HG23 THR 33 11.662 13.247 9.139 299 H ARG 34 H ARG 34 11.875 9.856 5.088 300 HA ARG 34 HA ARG 34 9.285 8.573 5.693 301 HB2 ARG 34 HB3 ARG 34 8.816 10.097 3.906 302 HB3 ARG 34 HB2 ARG 34 10.281 9.604 3.023 303 HG2 ARG 34 HG3 ARG 34 9.329 7.472 2.496 304 HG3 ARG 34 HG2 ARG 34 7.932 7.775 3.558 305 HD2 ARG 34 HD3 ARG 34 8.471 9.762 1.402 306 HD3 ARG 34 HD2 ARG 34 7.852 8.168 0.908 307 HE ARG 34 HE ARG 34 5.834 8.656 1.917 308 HH11 ARG 34 HH11 ARG 34 8.161 11.154 2.660 309 HH12 ARG 34 HH12 ARG 34 6.995 12.219 3.354 310 HH21 ARG 34 HH22 ARG 34 4.278 10.053 2.822 311 HH22 ARG 34 HH21 ARG 34 4.747 11.598 3.432 312 H ASN 35 H ASN 35 9.211 6.399 5.344 313 HA ASN 35 HA ASN 35 11.577 4.876 5.344 314 HB2 ASN 35 HB3 ASN 35 9.345 4.176 6.239 315 HB3 ASN 35 HB2 ASN 35 8.744 4.059 4.568 316 HD21 ASN 35 HD22 ASN 35 8.876 2.024 6.673 317 HD22 ASN 35 HD21 ASN 35 9.822 0.739 6.007 318 HA PRO 36 HA PRO 36 12.845 5.388 1.083 319 HB2 PRO 36 HB3 PRO 36 14.005 2.662 1.729 320 HB3 PRO 36 HB2 PRO 36 14.778 4.051 0.927 321 HG2 PRO 36 HG3 PRO 36 15.270 3.518 3.488 322 HG3 PRO 36 HG2 PRO 36 15.090 5.198 2.927 323 HD2 PRO 36 HD3 PRO 36 13.204 3.511 4.522 324 HD3 PRO 36 HD2 PRO 36 13.452 5.274 4.550 325 H ARG 37 H ARG 37 11.600 2.241 2.215 326 HA ARG 37 HA ARG 37 10.947 1.307 -0.396 327 HB2 ARG 37 HB3 ARG 37 10.269 0.390 2.371 328 HB3 ARG 37 HB2 ARG 37 9.488 -0.338 0.946 329 HG2 ARG 37 HG3 ARG 37 11.605 -1.063 0.078 330 HG3 ARG 37 HG2 ARG 37 12.484 -0.171 1.343 331 HD2 ARG 37 HD3 ARG 37 10.498 -2.383 1.917 332 HD3 ARG 37 HD2 ARG 37 12.248 -2.652 1.733 333 HE ARG 37 HE ARG 37 12.611 -1.403 3.722 334 HH11 ARG 37 HH11 ARG 37 9.224 -1.885 2.997 335 HH12 ARG 37 HH12 ARG 37 8.699 -1.631 4.628 336 HH21 ARG 37 HH22 ARG 37 11.961 -1.112 5.888 337 HH22 ARG 37 HH21 ARG 37 10.278 -1.235 6.308 338 H GLN 38 H GLN 38 9.323 3.454 1.748 339 HA GLN 38 HA GLN 38 6.688 2.946 0.721 340 HB2 GLN 38 HB3 GLN 38 7.768 5.303 2.268 341 HB3 GLN 38 HB2 GLN 38 6.058 5.059 1.835 342 HG2 GLN 38 HG3 GLN 38 7.768 3.586 3.802 343 HG3 GLN 38 HG2 GLN 38 6.130 4.259 3.992 344 HE21 GLN 38 HE22 GLN 38 4.391 3.138 2.973 345 HE22 GLN 38 HE21 GLN 38 4.469 1.435 2.719 346 H CYS 39 H CYS 39 9.374 4.988 -0.155 347 HA CYS 39 HA CYS 39 7.979 6.661 -2.005 348 HB2 CYS 39 HB3 CYS 39 10.869 5.780 -2.235 349 HB3 CYS 39 HB2 CYS 39 10.133 7.310 -2.769 350 HG CYS 39 HG CYS 39 11.689 8.052 -0.645 351 H ARG 40 H ARG 40 9.397 3.485 -2.033 352 HA ARG 40 HA ARG 40 9.212 2.999 -4.859 353 HB2 ARG 40 HB3 ARG 40 10.777 1.806 -3.341 354 HB3 ARG 40 HB2 ARG 40 9.383 1.069 -2.516 355 HG2 ARG 40 HG3 ARG 40 8.765 0.036 -4.738 356 HG3 ARG 40 HG2 ARG 40 10.350 0.585 -5.336 357 HD2 ARG 40 HD3 ARG 40 9.876 -1.239 -2.957 358 HD3 ARG 40 HD2 ARG 40 10.420 -1.753 -4.573 359 HE ARG 40 HE ARG 40 12.224 0.170 -3.633 360 HH11 ARG 40 HH11 ARG 40 11.160 -3.070 -2.805 361 HH12 ARG 40 HH12 ARG 40 12.692 -3.540 -2.156 362 HH21 ARG 40 HH22 ARG 40 14.242 -0.455 -2.732 363 HH22 ARG 40 HH21 ARG 40 14.445 -2.060 -2.108 364 H GLU 41 H GLU 41 7.282 2.210 -1.980 365 HA GLU 41 HA GLU 41 5.248 0.725 -3.296 366 HB2 GLU 41 HB3 GLU 41 5.811 0.867 -0.786 367 HB3 GLU 41 HB2 GLU 41 4.855 2.368 -0.787 368 HG2 GLU 41 HG3 GLU 41 2.967 0.951 -1.785 369 HG3 GLU 41 HG2 GLU 41 3.937 -0.459 -1.294 370 H ARG 42 H ARG 42 5.902 4.114 -2.968 371 HA ARG 42 HA ARG 42 3.250 5.039 -3.603 372 HB2 ARG 42 HB3 ARG 42 4.514 6.566 -2.357 373 HB3 ARG 42 HB2 ARG 42 5.968 6.322 -3.355 374 HG2 ARG 42 HG3 ARG 42 5.413 7.984 -4.719 375 HG3 ARG 42 HG2 ARG 42 3.757 7.362 -4.920 376 HD2 ARG 42 HD3 ARG 42 3.626 8.343 -2.391 377 HD3 ARG 42 HD2 ARG 42 4.806 9.459 -3.120 378 HE ARG 42 HE ARG 42 3.163 10.105 -4.719 379 HH11 ARG 42 HH11 ARG 42 1.968 7.959 -2.227 380 HH12 ARG 42 HH12 ARG 42 0.303 8.326 -2.526 381 HH21 ARG 42 HH22 ARG 42 0.968 10.638 -5.082 382 HH22 ARG 42 HH21 ARG 42 -0.269 9.856 -4.132 383 H TRP 43 H TRP 43 6.369 5.066 -5.368 384 HA TRP 43 HA TRP 43 5.345 5.915 -7.838 385 HB2 TRP 43 HB3 TRP 43 7.544 5.988 -8.177 386 HB3 TRP 43 HB2 TRP 43 7.847 4.895 -6.805 387 HD1 TRP 43 HD1 TRP 43 8.251 2.295 -7.357 388 HE1 TRP 43 HE1 TRP 43 8.831 1.067 -9.533 389 HE3 TRP 43 HE3 TRP 43 7.187 6.023 -10.717 390 HZ2 TRP 43 HZ2 TRP 43 8.869 1.578 -12.294 391 HZ3 TRP 43 HZ3 TRP 43 7.536 5.575 -13.123 392 HH2 TRP 43 HH2 TRP 43 8.365 3.382 -13.897 393 H ASN 44 H ASN 44 5.667 2.721 -6.440 394 HA ASN 44 HA ASN 44 4.962 1.218 -8.734 395 HB2 ASN 44 HB3 ASN 44 6.157 0.413 -6.649 396 HB3 ASN 44 HB2 ASN 44 4.567 0.394 -5.849 397 HD21 ASN 44 HD22 ASN 44 3.292 -1.325 -6.115 398 HD22 ASN 44 HD21 ASN 44 3.619 -2.645 -7.176 399 H ASN 45 H ASN 45 3.008 3.026 -6.489 400 HA ASN 45 HA ASN 45 0.639 1.705 -7.655 401 HB2 ASN 45 HB3 ASN 45 1.097 2.710 -4.856 402 HB3 ASN 45 HB2 ASN 45 -0.540 2.495 -5.520 403 HD21 ASN 45 HD22 ASN 45 2.279 0.951 -4.296 404 HD22 ASN 45 HD21 ASN 45 1.669 -0.680 -4.308 405 H TYR 46 H TYR 46 2.234 4.535 -8.081 406 HA TYR 46 HA TYR 46 -0.332 5.962 -8.306 407 HB2 TYR 46 HB3 TYR 46 1.070 6.903 -6.523 408 HB3 TYR 46 HB2 TYR 46 2.356 7.213 -7.714 409 HD1 TYR 46 HD2 TYR 46 -1.130 8.124 -6.759 410 HD2 TYR 46 HD1 TYR 46 2.304 9.155 -9.091 411 HE1 TYR 46 HE2 TYR 46 -2.141 10.310 -7.283 412 HE2 TYR 46 HE1 TYR 46 1.294 11.341 -9.618 413 HH TYR 46 HH TYR 46 -1.257 12.623 -7.946 414 H ILE 47 H ILE 47 2.975 5.876 -9.694 415 HA ILE 47 HA ILE 47 1.769 6.856 -12.203 416 HB ILE 47 HB ILE 47 4.211 7.358 -12.844 417 HG12 ILE 47 HG12 ILE 47 4.981 6.141 -10.662 418 HG13 ILE 47 HG13 ILE 47 5.851 7.566 -11.279 419 HG21 ILE 47 HG21 ILE 47 4.066 9.599 -11.840 420 HG22 ILE 47 HG22 ILE 47 2.759 9.024 -10.779 421 HG23 ILE 47 HG23 ILE 47 2.522 9.061 -12.543 422 HD11 ILE 47 HD11 ILE 47 4.698 8.980 -9.640 423 HD12 ILE 47 HD12 ILE 47 5.596 7.661 -8.852 424 HD13 ILE 47 HD13 ILE 47 3.827 7.555 -9.024 425 H ASN 48 H ASN 48 2.865 4.082 -10.817 426 HA ASN 48 HA ASN 48 4.029 2.969 -13.232 427 HB2 ASN 48 HB3 ASN 48 5.141 2.261 -11.294 428 HB3 ASN 48 HB2 ASN 48 3.620 1.841 -10.469 429 HD21 ASN 48 HD22 ASN 48 2.843 -0.170 -10.660 430 HD22 ASN 48 HD21 ASN 48 3.526 -1.407 -11.656 431 HA PRO 49 HA PRO 49 0.058 0.507 -13.450 432 HB2 PRO 49 HB3 PRO 49 -1.648 0.244 -11.372 433 HB3 PRO 49 HB2 PRO 49 -0.047 -0.533 -11.307 434 HG2 PRO 49 HG3 PRO 49 -1.028 1.938 -9.946 435 HG3 PRO 49 HG2 PRO 49 0.146 0.722 -9.388 436 HD2 PRO 49 HD3 PRO 49 0.714 3.242 -10.606 437 HD3 PRO 49 HD2 PRO 49 1.876 1.955 -10.202 438 H ALA 50 H ALA 50 -2.510 0.722 -13.369 439 HA ALA 50 HA ALA 50 -3.229 3.583 -13.564 440 HB1 ALA 50 HB1 ALA 50 -4.665 3.016 -15.490 441 HB2 ALA 50 HB2 ALA 50 -4.088 1.333 -15.417 442 HB3 ALA 50 HB3 ALA 50 -2.954 2.647 -15.811 443 H LEU 51 H LEU 51 -3.750 2.756 -11.222 444 HA LEU 51 HA LEU 51 -6.133 1.224 -10.910 445 HB2 LEU 51 HB3 LEU 51 -5.904 2.544 -8.553 446 HB3 LEU 51 HB2 LEU 51 -5.104 1.009 -8.968 447 HG LEU 51 HG LEU 51 -3.141 2.477 -9.742 448 HD11 LEU 51 HD11 LEU 51 -2.930 4.633 -8.569 449 HD12 LEU 51 HD12 LEU 51 -4.596 4.464 -7.968 450 HD13 LEU 51 HD13 LEU 51 -4.292 4.633 -9.714 451 HD21 LEU 51 HD21 LEU 51 -3.874 2.282 -6.808 452 HD22 LEU 51 HD22 LEU 51 -2.239 2.559 -7.454 453 HD23 LEU 51 HD23 LEU 51 -3.080 1.026 -7.786 454 H ARG 52 H ARG 52 -7.509 2.329 -12.364 455 HA ARG 52 HA ARG 52 -9.068 4.381 -11.004 456 HB2 ARG 52 HB3 ARG 52 -9.214 5.708 -13.170 457 HB3 ARG 52 HB2 ARG 52 -7.724 5.861 -12.210 458 HG2 ARG 52 HG3 ARG 52 -6.449 4.702 -13.761 459 HG3 ARG 52 HG2 ARG 52 -7.865 3.900 -14.482 460 HD2 ARG 52 HD3 ARG 52 -6.633 5.945 -15.674 461 HD3 ARG 52 HD2 ARG 52 -8.392 5.698 -15.795 462 HE ARG 52 HE ARG 52 -7.498 7.397 -13.608 463 HH11 ARG 52 HH11 ARG 52 -8.563 7.256 -16.933 464 HH12 ARG 52 HH12 ARG 52 -9.210 8.864 -16.929 465 HH21 ARG 52 HH22 ARG 52 -8.338 9.516 -13.596 466 HH22 ARG 52 HH21 ARG 52 -9.068 10.160 -15.028 467 H THR 53 H THR 53 -10.476 4.949 -13.507 468 HA THR 53 HA THR 53 -12.633 4.337 -14.136 469 HB THR 53 HB THR 53 -11.234 1.940 -15.320 470 HG1 THR 53 HG1 THR 53 -9.861 3.235 -16.300 471 HG21 THR 53 HG21 THR 53 -13.610 2.357 -15.880 472 HG22 THR 53 HG22 THR 53 -12.557 2.594 -17.295 473 HG23 THR 53 HG23 THR 53 -13.191 4.003 -16.411 474 H ASP 54 H ASP 54 -12.793 3.677 -11.618 475 HA ASP 54 HA ASP 54 -13.986 2.453 -10.124 476 HB2 ASP 54 HB3 ASP 54 -14.937 1.291 -12.709 477 HB3 ASP 54 HB2 ASP 54 -15.351 0.463 -11.188 478 HA PRO 55 HA PRO 55 -11.486 -0.940 -8.891 479 HB2 PRO 55 HB3 PRO 55 -13.202 -2.556 -7.474 480 HB3 PRO 55 HB2 PRO 55 -12.664 -0.970 -6.871 481 HG2 PRO 55 HG3 PRO 55 -15.222 -1.711 -8.276 482 HG3 PRO 55 HG2 PRO 55 -14.982 -0.695 -6.834 483 HD2 PRO 55 HD3 PRO 55 -15.368 0.365 -9.306 484 HD3 PRO 55 HD2 PRO 55 -14.337 1.154 -8.088 485 H TRP 56 H TRP 56 -12.438 -3.671 -8.431 486 HA TRP 56 HA TRP 56 -12.394 -4.576 -11.212 487 HB2 TRP 56 HB3 TRP 56 -12.275 -6.874 -9.741 488 HB3 TRP 56 HB2 TRP 56 -10.876 -5.958 -10.351 489 HD1 TRP 56 HD1 TRP 56 -9.531 -4.428 -8.550 490 HE1 TRP 56 HE1 TRP 56 -9.326 -4.641 -6.001 491 HE3 TRP 56 HE3 TRP 56 -13.510 -7.526 -7.667 492 HZ2 TRP 56 HZ2 TRP 56 -10.645 -5.931 -3.880 493 HZ3 TRP 56 HZ3 TRP 56 -13.974 -8.218 -5.338 494 HH2 TRP 56 HH2 TRP 56 -12.564 -7.428 -3.476 495 H SER 57 H SER 57 -13.724 -6.573 -11.703 496 HA SER 57 HA SER 57 -16.488 -5.927 -11.008 497 HB2 SER 57 HB3 SER 57 -16.277 -8.179 -12.777 498 HB3 SER 57 HB2 SER 57 -16.859 -6.534 -13.129 499 HG SER 57 HG SER 57 -14.228 -7.590 -13.365 500 HA PRO 58 HA PRO 58 -17.406 -9.193 -8.211 501 HB2 PRO 58 HB3 PRO 58 -19.489 -10.193 -10.148 502 HB3 PRO 58 HB2 PRO 58 -19.656 -9.772 -8.426 503 HG2 PRO 58 HG3 PRO 58 -20.553 -8.112 -10.287 504 HG3 PRO 58 HG2 PRO 58 -19.699 -7.474 -8.862 505 HD2 PRO 58 HD3 PRO 58 -18.685 -7.858 -11.679 506 HD3 PRO 58 HD2 PRO 58 -18.405 -6.506 -10.555 507 H GLU 59 H GLU 59 -16.653 -10.004 -11.514 508 HA GLU 59 HA GLU 59 -16.571 -12.861 -11.215 509 HB2 GLU 59 HB3 GLU 59 -15.381 -10.908 -13.188 510 HB3 GLU 59 HB2 GLU 59 -15.020 -12.650 -13.251 511 HG2 GLU 59 HG3 GLU 59 -17.301 -13.189 -13.670 512 HG3 GLU 59 HG2 GLU 59 -17.821 -11.521 -13.333 513 H GLU 60 H GLU 60 -14.250 -10.214 -10.996 514 HA GLU 60 HA GLU 60 -11.987 -11.869 -10.383 515 HB2 GLU 60 HB3 GLU 60 -12.501 -8.917 -9.899 516 HB3 GLU 60 HB2 GLU 60 -10.943 -9.735 -9.630 517 HG2 GLU 60 HG3 GLU 60 -10.507 -8.976 -11.699 518 HG3 GLU 60 HG2 GLU 60 -11.396 -10.439 -12.187 519 H ASP 61 H ASP 61 -14.483 -10.207 -8.588 520 HA ASP 61 HA ASP 61 -13.448 -10.370 -5.988 521 HB2 ASP 61 HB3 ASP 61 -15.316 -9.034 -6.122 522 HB3 ASP 61 HB2 ASP 61 -16.185 -10.166 -7.187 523 H MET 62 H MET 62 -15.372 -12.699 -7.840 524 HA MET 62 HA MET 62 -15.544 -14.569 -5.669 525 HB2 MET 62 HB3 MET 62 -16.176 -14.807 -8.613 526 HB3 MET 62 HB2 MET 62 -16.387 -16.138 -7.450 527 HG2 MET 62 HG3 MET 62 -17.927 -14.690 -6.147 528 HG3 MET 62 HG2 MET 62 -17.780 -13.451 -7.417 529 HE1 MET 62 HE1 MET 62 -19.747 -17.603 -7.968 530 HE2 MET 62 HE2 MET 62 -19.157 -16.966 -6.414 531 HE3 MET 62 HE3 MET 62 -18.000 -17.398 -7.696 532 H LEU 63 H LEU 63 -13.413 -14.202 -8.481 533 HA LEU 63 HA LEU 63 -12.129 -16.745 -8.068 534 HB2 LEU 63 HB3 LEU 63 -12.289 -15.659 -10.276 535 HB3 LEU 63 HB2 LEU 63 -11.240 -14.347 -9.687 536 HG LEU 63 HG LEU 63 -9.446 -16.051 -9.329 537 HD11 LEU 63 HD11 LEU 63 -9.653 -18.209 -10.498 538 HD12 LEU 63 HD12 LEU 63 -11.349 -17.833 -10.881 539 HD13 LEU 63 HD13 LEU 63 -10.845 -18.047 -9.188 540 HD21 LEU 63 HD21 LEU 63 -10.514 -15.750 -12.154 541 HD22 LEU 63 HD22 LEU 63 -8.854 -16.218 -11.715 542 HD23 LEU 63 HD23 LEU 63 -9.464 -14.600 -11.293 543 H LEU 64 H LEU 64 -11.456 -13.381 -7.226 544 HA LEU 64 HA LEU 64 -8.819 -13.713 -6.297 545 HB2 LEU 64 HB3 LEU 64 -10.375 -11.580 -6.674 546 HB3 LEU 64 HB2 LEU 64 -10.601 -11.768 -4.918 547 HG LEU 64 HG LEU 64 -7.845 -11.641 -6.112 548 HD11 LEU 64 HD11 LEU 64 -7.858 -9.205 -5.741 549 HD12 LEU 64 HD12 LEU 64 -9.592 -9.280 -5.348 550 HD13 LEU 64 HD13 LEU 64 -9.033 -9.692 -6.987 551 HD21 LEU 64 HD21 LEU 64 -9.004 -10.857 -3.418 552 HD22 LEU 64 HD22 LEU 64 -7.294 -10.725 -3.893 553 HD23 LEU 64 HD23 LEU 64 -8.063 -12.325 -3.772 554 H ASP 65 H ASP 65 -11.939 -13.955 -4.603 555 HA ASP 65 HA ASP 65 -10.922 -14.367 -2.015 556 HB2 ASP 65 HB3 ASP 65 -13.292 -13.882 -2.509 557 HB3 ASP 65 HB2 ASP 65 -13.463 -15.506 -3.220 558 H GLN 66 H GLN 66 -11.428 -16.577 -4.695 559 HA GLN 66 HA GLN 66 -10.905 -18.979 -3.224 560 HB2 GLN 66 HB3 GLN 66 -12.147 -18.840 -5.399 561 HB3 GLN 66 HB2 GLN 66 -10.596 -18.490 -6.199 562 HG2 GLN 66 HG3 GLN 66 -9.747 -20.677 -5.347 563 HG3 GLN 66 HG2 GLN 66 -11.389 -21.022 -4.752 564 HE21 GLN 66 HE22 GLN 66 -11.692 -22.775 -6.090 565 HE22 GLN 66 HE21 GLN 66 -11.904 -22.624 -7.801 566 H LYS 67 H LYS 67 -8.949 -16.991 -5.463 567 HA LYS 67 HA LYS 67 -6.550 -18.476 -5.151 568 HB2 LYS 67 HB3 LYS 67 -6.896 -15.555 -5.900 569 HB3 LYS 67 HB2 LYS 67 -5.440 -16.546 -6.162 570 HG2 LYS 67 HG3 LYS 67 -8.116 -17.225 -7.385 571 HG3 LYS 67 HG2 LYS 67 -6.941 -16.146 -8.173 572 HD2 LYS 67 HD3 LYS 67 -5.251 -17.959 -8.070 573 HD3 LYS 67 HD2 LYS 67 -6.480 -19.035 -7.363 574 HE2 LYS 67 HE3 LYS 67 -7.863 -18.809 -9.359 575 HE3 LYS 67 HE2 LYS 67 -6.694 -17.665 -10.062 576 HZ1 LYS 67 HZ1 LYS 67 -5.032 -19.504 -9.929 577 HZ2 LYS 67 HZ2 LYS 67 -6.293 -19.771 -11.020 578 HZ3 LYS 67 HZ3 LYS 67 -6.289 -20.560 -9.521 579 H TYR 68 H TYR 68 -8.102 -16.078 -3.218 580 HA TYR 68 HA TYR 68 -5.767 -15.252 -1.727 581 HB2 TYR 68 HB3 TYR 68 -7.668 -13.749 -1.977 582 HB3 TYR 68 HB2 TYR 68 -8.741 -14.938 -1.200 583 HD1 TYR 68 HD1 TYR 68 -5.646 -12.924 -0.501 584 HD2 TYR 68 HD2 TYR 68 -9.188 -14.734 1.071 585 HE1 TYR 68 HE1 TYR 68 -5.198 -11.900 1.695 586 HE2 TYR 68 HE2 TYR 68 -8.741 -13.708 3.267 587 HH TYR 68 HH TYR 68 -6.590 -12.858 4.497 588 H ALA 69 H ALA 69 -8.050 -17.825 -1.636 589 HA ALA 69 HA ALA 69 -7.378 -18.560 1.118 590 HB1 ALA 69 HB1 ALA 69 -9.042 -20.351 0.792 591 HB2 ALA 69 HB2 ALA 69 -9.233 -19.859 -0.907 592 HB3 ALA 69 HB3 ALA 69 -9.715 -18.751 0.399 593 H GLU 70 H GLU 70 -6.045 -18.974 -1.902 594 HA GLU 70 HA GLU 70 -4.957 -21.627 -1.216 595 HB2 GLU 70 HB3 GLU 70 -5.610 -20.297 -3.812 596 HB3 GLU 70 HB2 GLU 70 -4.249 -21.442 -3.757 597 HG2 GLU 70 HG3 GLU 70 -7.125 -22.007 -2.996 598 HG3 GLU 70 HG2 GLU 70 -6.274 -22.575 -4.453 599 H TYR 71 H TYR 71 -4.073 -18.442 -2.559 600 HA TYR 71 HA TYR 71 -1.232 -19.039 -2.142 601 HB2 TYR 71 HB3 TYR 71 -2.780 -16.831 -3.494 602 HB3 TYR 71 HB2 TYR 71 -1.067 -16.608 -3.063 603 HD1 TYR 71 HD2 TYR 71 -3.399 -18.738 -5.058 604 HD2 TYR 71 HD1 TYR 71 0.645 -17.503 -4.413 605 HE1 TYR 71 HE2 TYR 71 -2.717 -19.883 -7.133 606 HE2 TYR 71 HE1 TYR 71 1.327 -18.644 -6.487 607 HH TYR 71 HH TYR 71 -0.901 -19.761 -8.789 608 H GLY 72 H GLY 72 -3.812 -16.993 -0.936 609 HA2 GLY 72 HA3 GLY 72 -3.882 -16.369 1.388 610 HA3 GLY 72 HA2 GLY 72 -2.103 -16.324 1.375 611 HA PRO 73 HA PRO 73 -3.578 -12.002 0.680 612 HB2 PRO 73 HB3 PRO 73 -2.093 -10.807 2.638 613 HB3 PRO 73 HB2 PRO 73 -3.638 -11.615 2.994 614 HG2 PRO 73 HG3 PRO 73 -0.832 -12.602 3.377 615 HG3 PRO 73 HG2 PRO 73 -2.251 -12.781 4.437 616 HD2 PRO 73 HD3 PRO 73 -1.325 -14.745 2.724 617 HD3 PRO 73 HD2 PRO 73 -3.003 -14.636 3.309 618 H LYS 74 H LYS 74 -1.464 -13.530 -0.683 619 HA LYS 74 HA LYS 74 0.894 -11.830 -0.735 620 HB2 LYS 74 HB3 LYS 74 0.094 -14.246 -2.386 621 HB3 LYS 74 HB2 LYS 74 1.645 -13.386 -2.537 622 HG2 LYS 74 HG3 LYS 74 2.254 -13.989 -0.279 623 HG3 LYS 74 HG2 LYS 74 0.657 -14.728 -0.008 624 HD2 LYS 74 HD3 LYS 74 1.118 -16.401 -1.731 625 HD3 LYS 74 HD2 LYS 74 2.695 -15.644 -2.063 626 HE2 LYS 74 HE3 LYS 74 2.925 -17.631 -0.634 627 HE3 LYS 74 HE2 LYS 74 3.438 -16.150 0.211 628 HZ1 LYS 74 HZ1 LYS 74 1.475 -16.145 1.484 629 HZ2 LYS 74 HZ2 LYS 74 2.023 -17.742 1.520 630 HZ3 LYS 74 HZ3 LYS 74 0.723 -17.318 0.522 631 H TRP 75 H TRP 75 -0.799 -10.078 -1.250 632 HA TRP 75 HA TRP 75 -2.035 -9.673 -3.652 633 HB2 TRP 75 HB3 TRP 75 -0.518 -7.507 -2.188 634 HB3 TRP 75 HB2 TRP 75 -1.910 -7.309 -3.280 635 HD1 TRP 75 HD1 TRP 75 -1.209 -7.283 0.268 636 HE1 TRP 75 HE1 TRP 75 -3.273 -7.892 1.667 637 HE3 TRP 75 HE3 TRP 75 -4.157 -9.252 -3.425 638 HZ2 TRP 75 HZ2 TRP 75 -5.819 -9.027 1.293 639 HZ3 TRP 75 HZ3 TRP 75 -6.407 -10.081 -2.825 640 HH2 TRP 75 HH2 TRP 75 -7.223 -9.968 -0.501 641 H ASN 76 H ASN 76 1.420 -9.340 -3.071 642 HA ASN 76 HA ASN 76 2.103 -8.079 -5.503 643 HB2 ASN 76 HB3 ASN 76 3.518 -8.912 -3.310 644 HB3 ASN 76 HB2 ASN 76 4.070 -10.051 -4.562 645 HD21 ASN 76 HD22 ASN 76 5.324 -7.705 -3.154 646 HD22 ASN 76 HD21 ASN 76 5.953 -6.723 -4.431 647 H LYS 77 H LYS 77 1.356 -11.388 -4.750 648 HA LYS 77 HA LYS 77 2.183 -12.349 -7.381 649 HB2 LYS 77 HB3 LYS 77 1.555 -13.531 -4.812 650 HB3 LYS 77 HB2 LYS 77 0.631 -14.319 -6.113 651 HG2 LYS 77 HG3 LYS 77 2.687 -15.519 -5.750 652 HG3 LYS 77 HG2 LYS 77 2.753 -14.707 -7.333 653 HD2 LYS 77 HD3 LYS 77 4.553 -13.522 -6.739 654 HD3 LYS 77 HD2 LYS 77 3.782 -12.994 -5.224 655 HE2 LYS 77 HE3 LYS 77 5.841 -14.232 -4.772 656 HE3 LYS 77 HE2 LYS 77 4.421 -15.112 -4.159 657 HZ1 LYS 77 HZ1 LYS 77 5.978 -16.578 -5.282 658 HZ2 LYS 77 HZ2 LYS 77 5.839 -15.689 -6.711 659 HZ3 LYS 77 HZ3 LYS 77 4.503 -16.533 -6.103 660 H ILE 78 H ILE 78 -0.760 -11.570 -5.610 661 HA ILE 78 HA ILE 78 -2.624 -12.626 -7.451 662 HB ILE 78 HB ILE 78 -2.974 -10.277 -5.554 663 HG12 ILE 78 HG12 ILE 78 -2.286 -12.273 -4.365 664 HG13 ILE 78 HG13 ILE 78 -3.999 -11.915 -4.039 665 HG21 ILE 78 HG21 ILE 78 -5.381 -10.779 -5.698 666 HG22 ILE 78 HG22 ILE 78 -5.044 -12.018 -6.930 667 HG23 ILE 78 HG23 ILE 78 -4.706 -10.305 -7.275 668 HD11 ILE 78 HD11 ILE 78 -4.666 -13.673 -5.616 669 HD12 ILE 78 HD12 ILE 78 -3.628 -14.315 -4.320 670 HD13 ILE 78 HD13 ILE 78 -2.953 -14.030 -5.942 671 H SER 79 H SER 79 -1.029 -9.468 -7.262 672 HA SER 79 HA SER 79 -2.535 -8.199 -9.295 673 HB2 SER 79 HB3 SER 79 -0.289 -6.797 -9.436 674 HB3 SER 79 HB2 SER 79 -1.382 -6.662 -8.038 675 HG SER 79 HG SER 79 -0.011 -7.848 -6.827 676 H LYS 80 H LYS 80 -0.186 -10.656 -9.466 677 HA LYS 80 HA LYS 80 0.714 -9.996 -12.133 678 HB2 LYS 80 HB3 LYS 80 1.190 -12.345 -10.307 679 HB3 LYS 80 HB2 LYS 80 1.735 -12.337 -12.002 680 HG2 LYS 80 HG3 LYS 80 3.278 -10.640 -11.635 681 HG3 LYS 80 HG2 LYS 80 2.445 -10.059 -10.173 682 HD2 LYS 80 HD3 LYS 80 3.164 -12.035 -8.944 683 HD3 LYS 80 HD2 LYS 80 3.928 -12.695 -10.410 684 HE2 LYS 80 HE3 LYS 80 5.555 -11.631 -8.865 685 HE3 LYS 80 HE2 LYS 80 5.510 -10.859 -10.469 686 HZ1 LYS 80 HZ1 LYS 80 4.542 -8.978 -9.631 687 HZ2 LYS 80 HZ2 LYS 80 5.497 -9.428 -8.308 688 HZ3 LYS 80 HZ3 LYS 80 3.839 -9.761 -8.305 689 H PHE 81 H PHE 81 -1.918 -11.729 -10.705 690 HA PHE 81 HA PHE 81 -2.536 -13.096 -13.225 691 HB2 PHE 81 HB3 PHE 81 -4.064 -13.078 -10.601 692 HB3 PHE 81 HB2 PHE 81 -4.362 -14.136 -12.001 693 HD1 PHE 81 HD2 PHE 81 -1.804 -15.145 -12.765 694 HD2 PHE 81 HD1 PHE 81 -3.283 -14.331 -8.837 695 HE1 PHE 81 HE2 PHE 81 -0.244 -16.814 -11.835 696 HE2 PHE 81 HE1 PHE 81 -1.727 -15.999 -7.900 697 HZ PHE 81 HZ PHE 81 -0.204 -17.246 -9.399 698 H LEU 82 H LEU 82 -3.175 -10.201 -11.576 699 HA LEU 82 HA LEU 82 -5.487 -9.628 -13.334 700 HB2 LEU 82 HB3 LEU 82 -5.496 -9.595 -10.604 701 HB3 LEU 82 HB2 LEU 82 -5.072 -7.906 -10.974 702 HG LEU 82 HG LEU 82 -7.484 -8.267 -10.590 703 HD11 LEU 82 HD11 LEU 82 -8.280 -7.034 -12.565 704 HD12 LEU 82 HD12 LEU 82 -6.758 -7.411 -13.406 705 HD13 LEU 82 HD13 LEU 82 -6.740 -6.387 -11.950 706 HD21 LEU 82 HD21 LEU 82 -7.338 -9.926 -13.124 707 HD22 LEU 82 HD22 LEU 82 -8.831 -9.414 -12.303 708 HD23 LEU 82 HD23 LEU 82 -7.702 -10.521 -11.487 709 H LYS 83 H LYS 83 -4.271 -8.853 -15.017 710 HA LYS 83 HA LYS 83 -2.126 -6.974 -14.701 711 HB2 LYS 83 HB3 LYS 83 -2.636 -8.666 -16.621 712 HB3 LYS 83 HB2 LYS 83 -3.657 -7.355 -17.260 713 HG2 LYS 83 HG3 LYS 83 -1.757 -5.889 -17.445 714 HG3 LYS 83 HG2 LYS 83 -0.708 -7.075 -16.632 715 HD2 LYS 83 HD3 LYS 83 -1.199 -8.682 -18.493 716 HD3 LYS 83 HD2 LYS 83 -2.074 -7.375 -19.325 717 HE2 LYS 83 HE3 LYS 83 -0.070 -6.051 -19.486 718 HE3 LYS 83 HE2 LYS 83 0.829 -7.206 -18.472 719 HZ1 LYS 83 HZ1 LYS 83 -0.359 -7.902 -21.109 720 HZ2 LYS 83 HZ2 LYS 83 0.703 -8.836 -20.184 721 HZ3 LYS 83 HZ3 LYS 83 1.244 -7.404 -20.904 722 H ASN 84 H ASN 84 -3.315 -5.465 -13.331 723 HA ASN 84 HA ASN 84 -3.984 -3.087 -14.643 724 HB2 ASN 84 HB3 ASN 84 -6.019 -4.436 -15.311 725 HB3 ASN 84 HB2 ASN 84 -6.489 -4.430 -13.594 726 HD21 ASN 84 HD22 ASN 84 -5.059 -1.871 -15.610 727 HD22 ASN 84 HD21 ASN 84 -6.351 -0.746 -15.382 728 H ARG 85 H ARG 85 -4.963 -4.977 -11.775 729 HA ARG 85 HA ARG 85 -4.788 -2.532 -10.157 730 HB2 ARG 85 HB3 ARG 85 -5.791 -5.286 -9.400 731 HB3 ARG 85 HB2 ARG 85 -5.867 -3.821 -8.392 732 HG2 ARG 85 HG3 ARG 85 -7.280 -4.244 -11.039 733 HG3 ARG 85 HG2 ARG 85 -8.026 -4.306 -9.424 734 HD2 ARG 85 HD3 ARG 85 -8.082 -2.056 -9.222 735 HD3 ARG 85 HD2 ARG 85 -6.492 -1.846 -9.996 736 HE ARG 85 HE ARG 85 -7.986 -2.508 -12.095 737 HH11 ARG 85 HH11 ARG 85 -8.632 -0.224 -9.516 738 HH12 ARG 85 HH12 ARG 85 -9.638 0.786 -10.510 739 HH21 ARG 85 HH22 ARG 85 -9.273 -1.173 -13.389 740 HH22 ARG 85 HH21 ARG 85 -9.990 0.261 -12.706 741 H SER 86 H SER 86 -3.392 -2.246 -8.488 742 HA SER 86 HA SER 86 -1.151 -4.143 -8.368 743 HB2 SER 86 HB3 SER 86 0.016 -2.107 -7.289 744 HB3 SER 86 HB2 SER 86 -0.305 -2.078 -9.040 745 HG SER 86 HG SER 86 -1.172 -0.390 -7.129 746 H ASP 87 H ASP 87 0.080 -3.852 -6.194 747 HA ASP 87 HA ASP 87 -1.210 -5.273 -4.236 748 HB2 ASP 87 HB3 ASP 87 0.689 -4.166 -2.745 749 HB3 ASP 87 HB2 ASP 87 1.032 -5.389 -3.992 750 H ASN 88 H ASN 88 -0.251 -1.870 -3.559 751 HA ASN 88 HA ASN 88 -1.842 -1.664 -1.267 752 HB2 ASN 88 HB3 ASN 88 0.047 -0.092 -2.139 753 HB3 ASN 88 HB2 ASN 88 -1.299 0.796 -2.893 754 HD21 ASN 88 HD22 ASN 88 -2.532 2.123 -1.634 755 HD22 ASN 88 HD21 ASN 88 -2.313 2.346 0.074 756 H ASN 89 H ASN 89 -2.822 -1.439 -4.581 757 HA ASN 89 HA ASN 89 -5.287 -0.044 -3.988 758 HB2 ASN 89 HB3 ASN 89 -4.161 0.166 -6.196 759 HB3 ASN 89 HB2 ASN 89 -4.570 -1.536 -6.523 760 HD21 ASN 89 HD22 ASN 89 -5.874 1.685 -5.996 761 HD22 ASN 89 HD21 ASN 89 -7.416 1.387 -6.708 762 H ILE 90 H ILE 90 -4.443 -3.405 -4.899 763 HA ILE 90 HA ILE 90 -7.095 -4.392 -4.711 764 HB ILE 90 HB ILE 90 -4.501 -5.930 -4.296 765 HG12 ILE 90 HG12 ILE 90 -6.231 -5.662 -6.774 766 HG13 ILE 90 HG13 ILE 90 -4.720 -4.763 -6.495 767 HG21 ILE 90 HG21 ILE 90 -5.866 -7.907 -4.859 768 HG22 ILE 90 HG22 ILE 90 -7.319 -6.880 -4.926 769 HG23 ILE 90 HG23 ILE 90 -6.455 -7.102 -3.385 770 HD11 ILE 90 HD11 ILE 90 -3.477 -6.878 -6.411 771 HD12 ILE 90 HD12 ILE 90 -4.350 -6.694 -7.950 772 HD13 ILE 90 HD13 ILE 90 -4.987 -7.777 -6.690 773 H ARG 91 H ARG 91 -4.460 -4.177 -2.351 774 HA ARG 91 HA ARG 91 -5.742 -5.539 -0.244 775 HB2 ARG 91 HB3 ARG 91 -3.612 -5.276 0.392 776 HB3 ARG 91 HB2 ARG 91 -3.407 -3.789 -0.566 777 HG2 ARG 91 HG3 ARG 91 -2.996 -3.293 1.740 778 HG3 ARG 91 HG2 ARG 91 -4.524 -2.521 1.254 779 HD2 ARG 91 HD3 ARG 91 -4.830 -3.477 3.430 780 HD3 ARG 91 HD2 ARG 91 -5.747 -4.456 2.259 781 HE ARG 91 HE ARG 91 -3.485 -5.843 2.407 782 HH11 ARG 91 HH11 ARG 91 -5.435 -4.402 4.924 783 HH12 ARG 91 HH12 ARG 91 -4.986 -5.574 6.128 784 HH21 ARG 91 HH22 ARG 91 -2.944 -7.437 3.967 785 HH22 ARG 91 HH21 ARG 91 -3.595 -7.318 5.570 786 H ASN 92 H ASN 92 -5.690 -2.062 -1.039 787 HA ASN 92 HA ASN 92 -7.300 -1.193 1.111 788 HB2 ASN 92 HB3 ASN 92 -5.888 0.231 -0.442 789 HB3 ASN 92 HB2 ASN 92 -7.171 0.037 -1.661 790 HD21 ASN 92 HD22 ASN 92 -6.165 1.665 1.196 791 HD22 ASN 92 HD21 ASN 92 -7.524 2.726 1.332 792 H ARG 93 H ARG 93 -8.100 -2.100 -2.224 793 HA ARG 93 HA ARG 93 -10.878 -1.643 -2.035 794 HB2 ARG 93 HB3 ARG 93 -9.150 -2.238 -4.056 795 HB3 ARG 93 HB2 ARG 93 -10.054 -3.763 -3.897 796 HG2 ARG 93 HG3 ARG 93 -11.008 -2.173 -5.565 797 HG3 ARG 93 HG2 ARG 93 -12.141 -2.645 -4.276 798 HD2 ARG 93 HD3 ARG 93 -12.145 -0.193 -4.864 799 HD3 ARG 93 HD2 ARG 93 -11.860 -0.562 -3.146 800 HE ARG 93 HE ARG 93 -9.448 -0.247 -4.689 801 HH11 ARG 93 HH11 ARG 93 -11.902 1.413 -2.835 802 HH12 ARG 93 HH12 ARG 93 -10.882 2.763 -2.452 803 HH21 ARG 93 HH22 ARG 93 -8.105 1.534 -4.193 804 HH22 ARG 93 HH21 ARG 93 -8.734 2.846 -3.242 805 H TRP 94 H TRP 94 -9.043 -4.692 -1.682 806 HA TRP 94 HA TRP 94 -11.282 -6.362 -1.323 807 HB2 TRP 94 HB3 TRP 94 -8.981 -7.147 -1.814 808 HB3 TRP 94 HB2 TRP 94 -8.509 -6.714 -0.153 809 HD1 TRP 94 HD1 TRP 94 -8.799 -8.563 1.645 810 HE1 TRP 94 HE1 TRP 94 -9.915 -10.876 1.704 811 HE3 TRP 94 HE3 TRP 94 -11.158 -8.458 -2.903 812 HZ2 TRP 94 HZ2 TRP 94 -11.568 -12.460 0.079 813 HZ3 TRP 94 HZ3 TRP 94 -12.494 -10.423 -3.585 814 HH2 TRP 94 HH2 TRP 94 -12.697 -12.390 -2.110 815 H MET 95 H MET 95 -9.344 -4.543 1.015 816 HA MET 95 HA MET 95 -10.621 -5.571 3.338 817 HB2 MET 95 HB3 MET 95 -8.374 -4.266 3.011 818 HB3 MET 95 HB2 MET 95 -9.403 -2.827 3.200 819 HG2 MET 95 HG3 MET 95 -9.976 -3.388 5.402 820 HG3 MET 95 HG2 MET 95 -9.401 -5.063 5.216 821 HE1 MET 95 HE1 MET 95 -6.894 -3.671 7.862 822 HE2 MET 95 HE2 MET 95 -8.029 -4.976 7.443 823 HE3 MET 95 HE3 MET 95 -8.635 -3.327 7.726 824 H MET 96 H MET 96 -11.277 -2.859 1.192 825 HA MET 96 HA MET 96 -13.307 -1.716 2.884 826 HB2 MET 96 HB3 MET 96 -12.031 -0.280 1.429 827 HB3 MET 96 HB2 MET 96 -12.539 -1.212 -0.001 828 HG2 MET 96 HG3 MET 96 -14.678 -0.008 1.673 829 HG3 MET 96 HG2 MET 96 -13.667 1.098 0.712 830 HE1 MET 96 HE1 MET 96 -17.126 0.597 -1.254 831 HE2 MET 96 HE2 MET 96 -16.115 1.769 -0.377 832 HE3 MET 96 HE3 MET 96 -16.924 0.454 0.508 833 H ILE 97 H ILE 97 -13.343 -3.558 -0.181 834 HA ILE 97 HA ILE 97 -16.156 -3.567 -0.426 835 HB ILE 97 HB ILE 97 -14.423 -4.060 -2.249 836 HG12 ILE 97 HG12 ILE 97 -16.024 -5.532 -3.466 837 HG13 ILE 97 HG13 ILE 97 -16.933 -5.721 -1.947 838 HG21 ILE 97 HG21 ILE 97 -13.958 -6.440 -2.670 839 HG22 ILE 97 HG22 ILE 97 -14.710 -6.857 -1.112 840 HG23 ILE 97 HG23 ILE 97 -13.225 -5.877 -1.149 841 HD11 ILE 97 HD11 ILE 97 -17.346 -3.303 -1.894 842 HD12 ILE 97 HD12 ILE 97 -17.959 -4.038 -3.395 843 HD13 ILE 97 HD13 ILE 97 -16.438 -3.114 -3.412 844 H ALA 98 H ALA 98 -13.988 -5.616 1.386 845 HA ALA 98 HA ALA 98 -15.663 -7.842 1.759 846 HB1 ALA 98 HB1 ALA 98 -14.319 -8.303 3.770 847 HB2 ALA 98 HB2 ALA 98 -13.603 -6.678 3.656 848 HB3 ALA 98 HB3 ALA 98 -13.302 -7.874 2.374 849 H ARG 99 H ARG 99 -15.654 -4.693 3.295 850 HA ARG 99 HA ARG 99 -17.390 -5.447 5.456 851 HB2 ARG 99 HB3 ARG 99 -15.754 -3.465 5.351 852 HB3 ARG 99 HB2 ARG 99 -17.030 -2.637 4.426 853 HG2 ARG 99 HG3 ARG 99 -18.560 -2.801 6.272 854 HG3 ARG 99 HG2 ARG 99 -17.419 -3.817 7.186 855 HD2 ARG 99 HD3 ARG 99 -17.338 -1.559 8.036 856 HD3 ARG 99 HD2 ARG 99 -15.810 -1.930 7.201 857 HE ARG 99 HE ARG 99 -16.843 -0.685 5.261 858 HH11 ARG 99 HH11 ARG 99 -17.708 -0.001 8.580 859 HH12 ARG 99 HH12 ARG 99 -18.109 1.657 8.273 860 HH21 ARG 99 HH22 ARG 99 -17.403 1.498 4.847 861 HH22 ARG 99 HH21 ARG 99 -17.945 2.505 6.147 862 H HIS 100 H HIS 100 -17.834 -4.561 2.158 863 HA HIS 100 HA HIS 100 -20.678 -3.924 2.521 864 HB2 HIS 100 HB3 HIS 100 -18.919 -2.881 0.805 865 HB3 HIS 100 HB2 HIS 100 -19.436 -4.271 -0.179 866 HD1 HIS 100 HD1 HIS 100 -22.003 -4.319 -0.858 867 HD2 HIS 100 HD2 HIS 100 -20.701 -0.783 0.905 868 HE1 HIS 100 HE1 HIS 100 -23.808 -2.634 -1.341 869 HE2 HIS 100 HE2 HIS 100 -22.886 -0.460 -0.449 870 H ARG 101 H ARG 101 -18.537 -6.440 1.433 871 HA ARG 101 HA ARG 101 -20.447 -8.140 0.174 872 HB2 ARG 101 HB3 ARG 101 -18.043 -8.291 -0.251 873 HB3 ARG 101 HB2 ARG 101 -17.747 -8.697 1.457 874 HG2 ARG 101 HG3 ARG 101 -17.587 -10.748 0.417 875 HG3 ARG 101 HG2 ARG 101 -19.276 -10.738 0.979 876 HD2 ARG 101 HD3 ARG 101 -18.575 -9.755 -1.776 877 HD3 ARG 101 HD2 ARG 101 -18.735 -11.498 -1.450 878 HE ARG 101 HE ARG 101 -20.867 -9.483 -1.331 879 HH11 ARG 101 HH11 ARG 101 -19.859 -12.826 -1.072 880 HH12 ARG 101 HH12 ARG 101 -21.480 -13.444 -1.129 881 HH21 ARG 101 HH22 ARG 101 -22.986 -10.304 -1.417 882 HH22 ARG 101 HH21 ARG 101 -23.251 -12.018 -1.324 883 H ALA 102 H ALA 102 -19.131 -7.887 3.447 884 HA ALA 102 HA ALA 102 -20.593 -10.176 4.415 885 HB1 ALA 102 HB1 ALA 102 -19.717 -9.524 6.623 886 HB2 ALA 102 HB2 ALA 102 -19.070 -8.026 5.914 887 HB3 ALA 102 HB3 ALA 102 -18.438 -9.605 5.388 888 H LYS 103 H LYS 103 -21.763 -7.357 3.444 889 HA LYS 103 HA LYS 103 -23.539 -6.017 3.901 890 HB2 LYS 103 HB3 LYS 103 -24.534 -8.620 5.075 891 HB3 LYS 103 HB2 LYS 103 -25.550 -7.193 4.757 892 HG2 LYS 103 HG3 LYS 103 -24.007 -8.786 2.684 893 HG3 LYS 103 HG2 LYS 103 -25.762 -8.857 2.972 894 HD2 LYS 103 HD3 LYS 103 -25.993 -6.513 2.346 895 HD3 LYS 103 HD2 LYS 103 -24.229 -6.370 2.147 896 HE2 LYS 103 HE3 LYS 103 -25.232 -6.613 -0.028 897 HE3 LYS 103 HE2 LYS 103 -24.345 -8.107 0.361 898 HZ1 LYS 103 HZ1 LYS 103 -27.243 -7.873 0.901 899 HZ2 LYS 103 HZ2 LYS 103 -26.306 -9.266 0.700 900 HZ3 LYS 103 HZ3 LYS 103 -26.674 -8.297 -0.637 901 H HIS 104 H HIS 104 -25.391 -6.409 6.185 902 HA HIS 104 HA HIS 104 -23.900 -5.954 8.580 903 HB2 HIS 104 HB3 HIS 104 -24.871 -3.593 8.904 904 HB3 HIS 104 HB2 HIS 104 -23.400 -3.803 7.922 905 HD1 HIS 104 HD1 HIS 104 -27.157 -3.377 7.385 906 HD2 HIS 104 HD2 HIS 104 -23.527 -2.621 5.490 907 HE1 HIS 104 HE1 HIS 104 -27.747 -2.100 5.295 908 HE2 HIS 104 HE2 HIS 104 -25.556 -1.862 4.066 909 H GLN 105 H GLN 105 -25.127 -7.282 9.723 910 HA GLN 105 HA GLN 105 -27.903 -7.664 9.537 911 HB2 GLN 105 HB3 GLN 105 -26.064 -7.997 11.928 912 HB3 GLN 105 HB2 GLN 105 -27.722 -8.636 11.810 913 HG2 GLN 105 HG3 GLN 105 -27.095 -10.140 10.067 914 HG3 GLN 105 HG2 GLN 105 -25.487 -9.392 9.924 915 HE21 GLN 105 HE22 GLN 105 -25.187 -9.144 12.840 916 HE22 GLN 105 HE21 GLN 105 -24.838 -10.736 13.412 917 H LYS 106 H LYS 106 -29.626 -6.914 10.822 918 HA LYS 106 HA LYS 106 -29.214 -4.740 12.692 919 HB2 LYS 106 HB3 LYS 106 -29.299 -3.837 10.213 920 HB3 LYS 106 HB2 LYS 106 -31.049 -4.104 10.403 921 HG2 LYS 106 HG3 LYS 106 -30.984 -2.662 12.440 922 HG3 LYS 106 HG2 LYS 106 -29.277 -2.306 12.076 923 HD2 LYS 106 HD3 LYS 106 -30.186 -1.617 9.730 924 HD3 LYS 106 HD2 LYS 106 -31.757 -1.515 10.562 925 HE2 LYS 106 HE3 LYS 106 -29.221 -0.036 11.333 926 HE3 LYS 106 HE2 LYS 106 -30.637 0.665 10.513 927 HZ1 LYS 106 HZ1 LYS 106 -30.623 1.120 12.894 928 HZ2 LYS 106 HZ2 LYS 106 -30.650 -0.533 13.235 929 HZ3 LYS 106 HZ3 LYS 106 -31.964 0.186 12.463 930 H SER 107 H SER 107 -31.656 -6.340 10.646 931 HA SER 107 HA SER 107 -33.177 -6.992 13.077 932 HB2 SER 107 HB3 SER 107 -34.458 -5.789 10.598 933 HB3 SER 107 HB2 SER 107 -35.270 -6.250 12.114 934 HG SER 107 HG SER 107 -33.466 -4.652 12.953 935 H5' DA 1 H5' DA 1 -21.210 18.833 12.388 936 H5'' DA 1 H5'' DA 1 -21.025 18.403 14.099 937 H4' DA 1 H4' DA 1 -22.188 16.617 13.239 938 H3' DA 1 H3' DA 1 -19.837 15.931 14.263 939 H2' DA 1 H2' DA 1 -18.446 16.048 12.342 940 H2'' DA 1 H2'' DA 1 -18.963 14.379 12.185 941 H1' DA 1 H1' DA 1 -20.492 14.840 10.483 942 H8 DA 1 H8 DA 1 -18.145 17.827 11.177 943 H61 DA 1 H61 DA 1 -17.001 18.809 6.571 944 H62 DA 1 H62 DA 1 -17.532 18.174 5.030 945 H2 DA 1 H2 DA 1 -20.580 15.004 5.945 946 HO5' DA 1 HO5' DA 1 -18.933 17.455 13.356 947 H5' DA 2 H5' DA 2 -22.099 13.474 10.611 948 H5'' DA 2 H5'' DA 2 -22.639 12.390 11.910 949 H4' DA 2 H4' DA 2 -22.814 11.062 10.045 950 H3' DA 2 H3' DA 2 -21.061 10.124 11.817 951 H2' DA 2 H2' DA 2 -19.044 11.062 11.005 952 H2'' DA 2 H2'' DA 2 -19.031 9.583 10.065 953 H1' DA 2 H1' DA 2 -19.738 10.630 8.101 954 H8 DA 2 H8 DA 2 -18.489 13.074 10.804 955 H61 DA 2 H61 DA 2 -15.774 15.856 7.909 956 H62 DA 2 H62 DA 2 -15.536 15.932 6.176 957 H2 DA 2 H2 DA 2 -18.135 12.715 4.406 958 H5' DG 3 H5' DG 3 -21.045 9.593 7.078 959 H5'' DG 3 H5'' DG 3 -21.884 8.066 7.416 960 H4' DG 3 H4' DG 3 -21.186 7.785 5.243 961 H3' DG 3 H3' DG 3 -20.138 5.999 6.908 962 H2' DG 3 H2' DG 3 -18.108 7.098 7.508 963 H2'' DG 3 H2'' DG 3 -17.531 6.217 6.104 964 H1' DG 3 H1' DG 3 -17.580 8.071 4.699 965 H8 DG 3 H8 DG 3 -17.762 8.942 8.440 966 H1 DG 3 H1 DG 3 -13.952 12.684 4.883 967 H21 DG 3 H21 DG 3 -15.279 10.951 2.190 968 H22 DG 3 H22 DG 3 -14.186 12.200 2.737 969 H5' DA 4 H5' DA 4 -18.188 7.574 2.930 970 H5'' DA 4 H5'' DA 4 -18.946 6.161 2.169 971 H4' DA 4 H4' DA 4 -17.475 6.849 0.550 972 H3' DA 4 H3' DA 4 -16.908 4.410 1.445 973 H2' DA 4 H2' DA 4 -15.381 4.928 3.209 974 H2'' DA 4 H2'' DA 4 -14.226 4.801 1.892 975 H1' DA 4 H1' DA 4 -13.966 7.081 1.646 976 H8 DA 4 H8 DA 4 -15.697 6.111 4.957 977 H61 DA 4 H61 DA 4 -13.030 8.952 7.849 978 H62 DA 4 H62 DA 4 -11.825 10.186 7.564 979 H2 DA 4 H2 DA 4 -11.386 10.489 3.096 980 H5' DT 5 H5' DT 5 -13.828 7.325 -0.285 981 H5'' DT 5 H5'' DT 5 -14.058 6.576 -1.876 982 H4' DT 5 H4' DT 5 -12.201 7.826 -2.267 983 H3' DT 5 H3' DT 5 -11.653 5.211 -2.374 984 H2' DT 5 H2' DT 5 -10.860 4.818 -0.169 985 H2'' DT 5 H2'' DT 5 -9.342 5.305 -0.900 986 H1' DT 5 H1' DT 5 -9.389 7.449 -0.003 987 H3 DT 5 H3 DT 5 -9.418 7.826 4.423 988 H71 DT 5 H71 DT 5 -13.357 4.797 4.178 989 H72 DT 5 H72 DT 5 -11.932 3.937 4.808 990 H73 DT 5 H73 DT 5 -12.503 3.617 3.155 991 H6 DT 5 H6 DT 5 -11.903 5.115 1.381 992 H5' DA 6 H5' DA 6 -8.361 8.427 -1.505 993 H5'' DA 6 H5'' DA 6 -7.786 8.374 -3.183 994 H4' DA 6 H4' DA 6 -6.024 9.341 -2.066 995 H3' DA 6 H3' DA 6 -5.455 6.997 -3.233 996 H2' DA 6 H2' DA 6 -5.629 5.492 -1.420 997 H2'' DA 6 H2'' DA 6 -3.973 5.996 -1.135 998 H1' DA 6 H1' DA 6 -4.516 7.410 0.609 999 H8 DA 6 H8 DA 6 -7.381 4.942 -0.220 1000 H61 DA 6 H61 DA 6 -8.454 3.828 4.398 1001 H62 DA 6 H62 DA 6 -7.908 4.449 5.941 1002 H2 DA 6 H2 DA 6 -4.944 7.704 5.032 1003 H5' DA 7 H5' DA 7 -3.194 8.642 0.701 1004 H5'' DA 7 H5'' DA 7 -2.356 9.516 -0.593 1005 H4' DA 7 H4' DA 7 -0.926 9.804 1.161 1006 H3' DA 7 H3' DA 7 0.148 8.345 -0.803 1007 H2' DA 7 H2' DA 7 -0.155 6.139 -0.051 1008 H2'' DA 7 H2'' DA 7 1.295 6.465 0.883 1009 H1' DA 7 H1' DA 7 0.193 6.719 2.865 1010 H8 DA 7 H8 DA 7 -1.675 4.956 0.078 1011 H61 DA 7 H61 DA 7 -4.249 1.880 2.828 1012 H62 DA 7 H62 DA 7 -4.522 1.748 4.553 1013 H2 DA 7 H2 DA 7 -2.230 5.102 6.470 1014 H5' DC 8 H5' DC 8 1.284 8.497 3.607 1015 H5'' DC 8 H5'' DC 8 2.583 9.652 3.251 1016 H4' DC 8 H4' DC 8 3.007 9.043 5.419 1017 H3' DC 8 H3' DC 8 4.984 8.384 3.730 1018 H2' DC 8 H2' DC 8 4.589 6.096 3.342 1019 H2'' DC 8 H2'' DC 8 5.403 5.888 4.883 1020 H1' DC 8 H1' DC 8 3.498 5.468 6.062 1021 H41 DC 8 H41 DC 8 0.344 1.947 1.406 1022 H42 DC 8 H42 DC 8 -0.270 1.413 2.954 1023 H5 DC 8 H5 DC 8 1.935 3.792 1.194 1024 H6 DC 8 H6 DC 8 3.206 5.480 2.409 1025 H5' DG 9 H5' DG 9 4.208 7.015 8.439 1026 H5'' DG 9 H5'' DG 9 5.654 7.971 8.825 1027 H4' DG 9 H4' DG 9 5.289 6.563 10.662 1028 H3' DG 9 H3' DG 9 7.710 6.450 9.544 1029 H2' DG 9 H2' DG 9 7.503 4.604 8.086 1030 H2'' DG 9 H2'' DG 9 7.881 3.692 9.539 1031 H1' DG 9 H1' DG 9 5.716 2.976 9.862 1032 H8 DG 9 H8 DG 9 6.218 4.708 6.481 1033 H1 DG 9 H1 DG 9 2.620 -0.594 6.350 1034 H21 DG 9 H21 DG 9 2.811 -0.421 9.816 1035 H22 DG 9 H22 DG 9 2.185 -1.275 8.423 1036 H5' DA 10 H5' DA 10 5.559 3.121 11.641 1037 H5'' DA 10 H5'' DA 10 6.288 3.559 13.196 1038 H4' DA 10 H4' DA 10 5.423 1.511 13.680 1039 H3' DA 10 H3' DA 10 8.091 1.508 13.786 1040 H2' DA 10 H2' DA 10 8.673 0.678 11.643 1041 H2'' DA 10 H2'' DA 10 8.429 -0.873 12.429 1042 H1' DA 10 H1' DA 10 6.382 -1.254 11.452 1043 H8 DA 10 H8 DA 10 8.060 1.815 9.744 1044 H61 DA 10 H61 DA 10 7.310 0.335 5.156 1045 H62 DA 10 H62 DA 10 6.463 -1.022 4.460 1046 H2 DA 10 H2 DA 10 4.830 -3.411 7.906 1047 H5' DT 11 H5' DT 11 5.325 -2.286 13.180 1048 H5'' DT 11 H5'' DT 11 5.469 -2.510 14.934 1049 H4' DT 11 H4' DT 11 4.596 -4.516 14.222 1050 H3' DT 11 H3' DT 11 6.985 -4.738 15.394 1051 H2' DT 11 H2' DT 11 8.428 -4.769 13.516 1052 H2'' DT 11 H2'' DT 11 8.058 -6.483 13.557 1053 H1' DT 11 H1' DT 11 6.553 -6.387 11.794 1054 H3 DT 11 H3 DT 11 7.897 -4.846 7.840 1055 H71 DT 11 H71 DT 11 10.326 -1.907 11.668 1056 H72 DT 11 H72 DT 11 10.983 -2.047 10.019 1057 H73 DT 11 H73 DT 11 9.604 -0.968 10.339 1058 H6 DT 11 H6 DT 11 8.576 -3.346 12.322 1059 H5' DA 12 H5' DA 12 5.242 -7.793 12.353 1060 H5'' DA 12 H5'' DA 12 4.706 -8.870 13.659 1061 H4' DA 12 H4' DA 12 4.651 -10.242 11.810 1062 H3' DA 12 H3' DA 12 6.350 -11.100 13.667 1063 H2' DA 12 H2' DA 12 8.370 -10.072 12.957 1064 H2'' DA 12 H2'' DA 12 8.494 -11.561 12.035 1065 H1' DA 12 H1' DA 12 7.846 -10.571 10.030 1066 H8 DA 12 H8 DA 12 8.907 -8.035 12.727 1067 H61 DA 12 H61 DA 12 11.574 -5.206 9.830 1068 H62 DA 12 H62 DA 12 11.854 -5.159 8.104 1069 H2 DA 12 H2 DA 12 9.386 -8.480 6.340 1070 H5' DT 13 H5' DT 13 6.874 -11.855 9.248 1071 H5'' DT 13 H5'' DT 13 5.904 -13.332 9.401 1072 H4' DT 13 H4' DT 13 6.733 -13.682 7.332 1073 H3' DT 13 H3' DT 13 7.893 -15.408 8.984 1074 H2' DT 13 H2' DT 13 9.797 -14.126 9.662 1075 H2'' DT 13 H2'' DT 13 10.488 -14.966 8.284 1076 H1' DT 13 H1' DT 13 10.303 -13.135 6.851 1077 H3 DT 13 H3 DT 13 12.594 -9.472 7.856 1078 H71 DT 13 H71 DT 13 10.452 -11.355 12.447 1079 H72 DT 13 H72 DT 13 10.976 -9.658 12.320 1080 H73 DT 13 H73 DT 13 12.185 -10.960 12.426 1081 H6 DT 13 H6 DT 13 9.876 -12.410 10.454 1082 H5' DT 14 H5' DT 14 9.838 -13.934 5.037 1083 H5'' DT 14 H5'' DT 14 9.141 -15.373 4.267 1084 H4' DT 14 H4' DT 14 10.563 -14.673 2.634 1085 H3' DT 14 H3' DT 14 11.367 -17.006 3.637 1086 H2' DT 14 H2' DT 14 12.888 -16.307 5.320 1087 H2'' DT 14 H2'' DT 14 14.014 -16.333 3.974 1088 H1' DT 14 H1' DT 14 14.028 -14.045 3.702 1089 H3 DT 14 H3 DT 14 15.305 -11.448 7.056 1090 H71 DT 14 H71 DT 14 13.554 -14.585 10.074 1091 H72 DT 14 H72 DT 14 11.997 -13.776 9.782 1092 H73 DT 14 H73 DT 14 12.288 -15.405 9.132 1093 H6 DT 14 H6 DT 14 12.316 -15.158 6.794 1094 H5' DT 15 H5' DT 15 14.196 -13.942 1.879 1095 H5'' DT 15 H5'' DT 15 13.988 -14.683 0.284 1096 H4' DT 15 H4' DT 15 15.771 -13.380 -0.164 1097 H3' DT 15 H3' DT 15 16.512 -15.933 -0.164 1098 H2' DT 15 H2' DT 15 17.247 -16.199 2.076 1099 H2'' DT 15 H2'' DT 15 18.763 -15.660 1.374 1100 H1' DT 15 H1' DT 15 18.576 -13.495 2.194 1101 H3 DT 15 H3 DT 15 18.332 -12.945 6.603 1102 H71 DT 15 H71 DT 15 15.359 -17.258 5.319 1103 H72 DT 15 H72 DT 15 16.132 -17.080 6.913 1104 H73 DT 15 H73 DT 15 14.663 -16.154 6.529 1105 H6 DT 15 H6 DT 15 16.132 -15.903 3.573 1106 H5' DA 16 H5' DA 16 19.265 -12.337 0.759 1107 H5'' DA 16 H5'' DA 16 19.771 -12.311 -0.942 1108 H4' DA 16 H4' DA 16 21.340 -10.958 0.013 1109 H3' DA 16 H3' DA 16 22.438 -13.165 -0.975 1110 HO3' DA 16 HO3' DA 16 23.433 -11.143 -0.945 1111 H2' DA 16 H2' DA 16 22.450 -14.579 0.940 1112 H2'' DA 16 H2'' DA 16 24.002 -13.789 1.177 1113 H1' DA 16 H1' DA 16 23.203 -12.367 2.849 1114 H8 DA 16 H8 DA 16 20.696 -15.206 2.066 1115 H61 DA 16 H61 DA 16 19.782 -16.468 6.673 1116 H62 DA 16 H62 DA 16 20.266 -15.811 8.219 1117 H2 DA 16 H2 DA 16 22.839 -12.234 7.338 1118 H5' DT 17 H5' DT 17 24.352 -14.754 15.090 1119 H5'' DT 17 H5'' DT 17 24.298 -14.024 16.706 1120 H4' DT 17 H4' DT 17 25.086 -12.290 15.453 1121 H3' DT 17 H3' DT 17 22.696 -11.726 16.474 1122 H2' DT 17 H2' DT 17 21.275 -12.434 14.702 1123 H2'' DT 17 H2'' DT 17 21.527 -10.775 14.196 1124 H1' DT 17 H1' DT 17 23.073 -11.344 12.535 1125 H3 DT 17 H3 DT 17 21.564 -14.009 9.301 1126 H71 DT 17 H71 DT 17 20.713 -17.058 13.285 1127 H72 DT 17 H72 DT 17 19.471 -15.890 13.799 1128 H73 DT 17 H73 DT 17 19.316 -16.718 12.233 1129 H6 DT 17 H6 DT 17 21.423 -14.287 14.061 1130 HO5' DT 17 HO5' DT 17 22.056 -13.569 16.282 1131 H5' DA 18 H5' DA 18 24.398 -9.780 12.321 1132 H5'' DA 18 H5'' DA 18 24.863 -8.418 13.356 1133 H4' DA 18 H4' DA 18 24.849 -7.485 11.250 1134 H3' DA 18 H3' DA 18 23.087 -6.358 12.901 1135 H2' DA 18 H2' DA 18 21.131 -7.604 12.417 1136 H2'' DA 18 H2'' DA 18 20.946 -6.369 11.183 1137 H1' DA 18 H1' DA 18 21.661 -7.735 9.453 1138 H8 DA 18 H8 DA 18 20.789 -9.677 12.668 1139 H61 DA 18 H61 DA 18 18.193 -13.195 10.544 1140 H62 DA 18 H62 DA 18 17.883 -13.624 8.884 1141 H2 DA 18 H2 DA 18 20.089 -10.625 6.361 1142 H5' DA 19 H5' DA 19 22.763 -6.772 8.285 1143 H5'' DA 19 H5'' DA 19 23.555 -5.187 8.199 1144 H4' DA 19 H4' DA 19 22.801 -5.420 6.061 1145 H3' DA 19 H3' DA 19 21.603 -3.392 7.283 1146 H2' DA 19 H2' DA 19 19.679 -4.477 8.169 1147 H2'' DA 19 H2'' DA 19 19.022 -4.012 6.611 1148 H1' DA 19 H1' DA 19 19.202 -6.143 5.700 1149 H8 DA 19 H8 DA 19 19.631 -6.114 9.538 1150 H61 DA 19 H61 DA 19 16.596 -9.781 10.507 1151 H62 DA 19 H62 DA 19 15.715 -10.915 9.510 1152 H2 DA 19 H2 DA 19 16.714 -9.891 5.245 1153 H5' DA 20 H5' DA 20 19.749 -5.996 3.670 1154 H5'' DA 20 H5'' DA 20 20.317 -4.673 2.634 1155 H4' DA 20 H4' DA 20 18.814 -5.782 1.283 1156 H3' DA 20 H3' DA 20 18.123 -3.256 1.750 1157 H2' DA 20 H2' DA 20 16.723 -3.503 3.657 1158 H2'' DA 20 H2'' DA 20 15.497 -3.738 2.421 1159 H1' DA 20 H1' DA 20 15.407 -6.026 2.677 1160 H8 DA 20 H8 DA 20 17.323 -4.324 5.573 1161 H61 DA 20 H61 DA 20 15.053 -6.637 9.190 1162 H62 DA 20 H62 DA 20 13.897 -7.951 9.247 1163 H2 DA 20 H2 DA 20 13.115 -9.130 4.984 1164 H5' DT 21 H5' DT 21 15.232 -6.624 0.725 1165 H5'' DT 21 H5'' DT 21 15.250 -6.167 -0.990 1166 H4' DT 21 H4' DT 21 13.495 -7.611 -0.944 1167 H3' DT 21 H3' DT 21 12.674 -5.138 -1.507 1168 H2' DT 21 H2' DT 21 12.055 -4.375 0.667 1169 H2'' DT 21 H2'' DT 21 10.529 -5.094 0.179 1170 H1' DT 21 H1' DT 21 10.850 -7.042 1.443 1171 H3 DT 21 H3 DT 21 11.136 -6.441 5.849 1172 H71 DT 21 H71 DT 21 13.582 -2.520 5.190 1173 H72 DT 21 H72 DT 21 14.979 -3.559 4.832 1174 H73 DT 21 H73 DT 21 14.180 -2.657 3.522 1175 H6 DT 21 H6 DT 21 13.352 -4.404 2.150 1176 H5' DA 22 H5' DA 22 9.532 -8.517 -0.148 1177 H5'' DA 22 H5'' DA 22 8.965 -8.641 -1.823 1178 H4' DA 22 H4' DA 22 7.245 -9.593 -0.632 1179 H3' DA 22 H3' DA 22 6.527 -7.391 -1.971 1180 H2' DA 22 H2' DA 22 6.659 -5.722 -0.313 1181 H2'' DA 22 H2'' DA 22 5.048 -6.295 0.089 1182 H1' DA 22 H1' DA 22 5.727 -7.468 1.940 1183 H8 DA 22 H8 DA 22 8.604 -5.184 0.697 1184 H61 DA 22 H61 DA 22 9.730 -3.396 5.060 1185 H62 DA 22 H62 DA 22 9.188 -3.730 6.694 1186 H2 DA 22 H2 DA 22 6.120 -7.002 6.323 1187 H5' DT 23 H5' DT 23 4.772 -8.866 1.690 1188 H5'' DT 23 H5'' DT 23 3.545 -9.891 0.929 1189 H4' DT 23 H4' DT 23 2.841 -9.927 3.091 1190 H3' DT 23 H3' DT 23 1.120 -8.635 1.491 1191 H2' DT 23 H2' DT 23 1.718 -6.375 1.849 1192 H2'' DT 23 H2'' DT 23 0.635 -6.550 3.220 1193 H1' DT 23 H1' DT 23 2.343 -6.742 4.768 1194 H3 DT 23 H3 DT 23 5.089 -3.287 5.162 1195 H71 DT 23 H71 DT 23 4.274 -4.056 -0.084 1196 H72 DT 23 H72 DT 23 6.003 -3.995 0.336 1197 H73 DT 23 H73 DT 23 4.974 -2.566 0.590 1198 H6 DT 23 H6 DT 23 3.593 -5.810 1.398 1199 H5' DC 24 H5' DC 24 1.396 -7.685 6.082 1200 H5'' DC 24 H5'' DC 24 0.139 -8.912 6.332 1201 H4' DC 24 H4' DC 24 -0.055 -7.726 8.261 1202 H3' DC 24 H3' DC 24 -2.195 -7.384 6.663 1203 H2' DC 24 H2' DC 24 -1.783 -5.294 5.675 1204 H2'' DC 24 H2'' DC 24 -2.417 -4.671 7.189 1205 H1' DC 24 H1' DC 24 -0.345 -4.110 8.031 1206 H41 DC 24 H41 DC 24 2.178 -1.770 2.285 1207 H42 DC 24 H42 DC 24 2.704 -0.824 3.624 1208 H5 DC 24 H5 DC 24 0.745 -3.831 2.740 1209 H6 DC 24 H6 DC 24 -0.295 -5.193 4.486 1210 H5' DG 25 H5' DG 25 -1.159 -3.973 9.760 1211 H5'' DG 25 H5'' DG 25 -1.987 -5.122 10.830 1212 H4' DG 25 H4' DG 25 -2.108 -3.227 12.077 1213 H3' DG 25 H3' DG 25 -4.535 -3.980 11.263 1214 H2' DG 25 H2' DG 25 -4.862 -2.686 9.325 1215 H2'' DG 25 H2'' DG 25 -5.346 -1.448 10.471 1216 H1' DG 25 H1' DG 25 -3.416 -0.238 10.258 1217 H8 DG 25 H8 DG 25 -4.221 -2.695 7.549 1218 H1 DG 25 H1 DG 25 -0.145 1.912 5.713 1219 H21 DG 25 H21 DG 25 0.060 2.633 9.099 1220 H22 DG 25 H22 DG 25 0.586 3.031 7.477 1221 H5' DT 26 H5' DT 26 -3.051 -0.024 12.270 1222 H5'' DT 26 H5'' DT 26 -3.512 -0.164 13.978 1223 H4' DT 26 H4' DT 26 -2.909 2.004 13.963 1224 H3' DT 26 H3' DT 26 -5.564 1.858 14.197 1225 H2' DT 26 H2' DT 26 -6.251 2.086 11.938 1226 H2'' DT 26 H2'' DT 26 -6.142 3.795 12.328 1227 H1' DT 26 H1' DT 26 -4.130 4.105 11.230 1228 H3 DT 26 H3 DT 26 -3.777 3.070 6.894 1229 H71 DT 26 H71 DT 26 -5.951 -1.069 7.742 1230 H72 DT 26 H72 DT 26 -7.375 -0.002 7.739 1231 H73 DT 26 H73 DT 26 -6.803 -0.721 9.264 1232 H6 DT 26 H6 DT 26 -5.825 0.896 10.612 1233 H5' DT 27 H5' DT 27 -3.368 5.340 12.638 1234 H5'' DT 27 H5'' DT 27 -3.182 6.024 14.266 1235 H4' DT 27 H4' DT 27 -2.384 7.741 13.025 1236 H3' DT 27 H3' DT 27 -4.680 8.428 14.182 1237 H2' DT 27 H2' DT 27 -6.232 7.901 12.462 1238 H2'' DT 27 H2'' DT 27 -5.864 9.550 11.984 1239 H1' DT 27 H1' DT 27 -4.451 8.912 10.246 1240 H3 DT 27 H3 DT 27 -6.145 6.390 6.983 1241 H71 DT 27 H71 DT 27 -8.945 4.261 10.042 1242 H72 DT 27 H72 DT 27 -8.220 4.627 11.624 1243 H73 DT 27 H73 DT 27 -7.527 3.345 10.603 1244 H6 DT 27 H6 DT 27 -6.393 6.142 11.739 1245 H5' DA 28 H5' DA 28 -3.138 10.351 10.103 1246 H5'' DA 28 H5'' DA 28 -2.410 11.598 11.134 1247 H4' DA 28 H4' DA 28 -2.406 12.659 9.123 1248 H3' DA 28 H3' DA 28 -4.054 13.868 10.815 1249 H2' DA 28 H2' DA 28 -6.118 12.818 10.313 1250 H2'' DA 28 H2'' DA 28 -6.196 14.094 9.109 1251 H1' DA 28 H1' DA 28 -5.663 12.697 7.343 1252 H8 DA 28 H8 DA 28 -6.465 10.723 10.555 1253 H61 DA 28 H61 DA 28 -9.384 7.429 8.523 1254 H62 DA 28 H62 DA 28 -9.829 7.058 6.871 1255 H2 DA 28 H2 DA 28 -7.607 9.989 4.282 1256 H5' DT 29 H5' DT 29 -4.652 13.905 6.420 1257 H5'' DT 29 H5'' DT 29 -3.673 15.370 6.220 1258 H4' DT 29 H4' DT 29 -4.596 15.331 4.172 1259 H3' DT 29 H3' DT 29 -5.711 17.318 5.546 1260 H2' DT 29 H2' DT 29 -7.611 16.198 6.467 1261 H2'' DT 29 H2'' DT 29 -8.325 16.752 4.961 1262 H1' DT 29 H1' DT 29 -8.168 14.691 3.912 1263 H3 DT 29 H3 DT 29 -10.528 11.382 5.696 1264 H71 DT 29 H71 DT 29 -9.772 13.189 9.947 1265 H72 DT 29 H72 DT 29 -8.186 12.390 9.886 1266 H73 DT 29 H73 DT 29 -8.295 14.159 9.740 1267 H6 DT 29 H6 DT 29 -7.533 14.597 7.558 1268 H5' DC 30 H5' DC 30 -7.741 15.151 2.130 1269 H5'' DC 30 H5'' DC 30 -7.077 16.344 0.998 1270 H4' DC 30 H4' DC 30 -8.548 15.245 -0.352 1271 H3' DC 30 H3' DC 30 -9.305 17.766 0.027 1272 H2' DC 30 H2' DC 30 -10.746 17.540 1.905 1273 H2'' DC 30 H2'' DC 30 -11.930 17.271 0.638 1274 H1' DC 30 H1' DC 30 -11.986 14.970 0.938 1275 H41 DC 30 H41 DC 30 -11.838 15.147 7.560 1276 H42 DC 30 H42 DC 30 -12.967 13.900 7.078 1277 H5 DC 30 H5 DC 30 -10.525 16.420 5.942 1278 H6 DC 30 H6 DC 30 -10.045 16.726 3.569 1279 H5' DT 31 H5' DT 31 -12.391 14.435 -0.790 1280 H5'' DT 31 H5'' DT 31 -12.142 14.765 -2.515 1281 H4' DT 31 H4' DT 31 -14.039 13.562 -2.674 1282 H3' DT 31 H3' DT 31 -14.584 16.093 -3.244 1283 H2' DT 31 H2' DT 31 -15.206 16.932 -1.108 1284 H2'' DT 31 H2'' DT 31 -16.784 16.379 -1.641 1285 H1' DT 31 H1' DT 31 -16.753 14.470 -0.330 1286 H3 DT 31 H3 DT 31 -16.264 14.794 4.072 1287 H71 DT 31 H71 DT 31 -13.040 18.467 1.773 1288 H72 DT 31 H72 DT 31 -13.925 18.836 3.270 1289 H73 DT 31 H73 DT 31 -12.528 17.738 3.313 1290 H6 DT 31 H6 DT 31 -14.071 16.902 0.397 1291 H5' DT 32 H5' DT 32 -17.804 13.401 -1.490 1292 H5'' DT 32 H5'' DT 32 -18.427 12.956 -3.091 1293 H4' DT 32 H4' DT 32 -20.198 12.322 -1.861 1294 H3' DT 32 H3' DT 32 -20.841 14.516 -3.227 1295 HO3' DT 32 HO3' DT 32 -22.163 12.713 -1.706 1296 H2' DT 32 H2' DT 32 -20.369 16.206 -1.617 1297 H2'' DT 32 H2'' DT 32 -22.038 15.873 -1.184 1298 H1' DT 32 H1' DT 32 -21.478 14.577 0.674 1299 H3 DT 32 H3 DT 32 -19.098 16.410 3.970 1300 H71 DT 32 H71 DT 32 -17.193 18.310 -0.715 1301 H72 DT 32 H72 DT 32 -16.117 18.226 0.698 1302 H73 DT 32 H73 DT 32 -17.439 19.415 0.659 1303 H6 DT 32 H6 DT 32 -18.771 16.607 -0.782 Start of MODEL 7 1 H1 LYS 1 H1 LYS 1 2.727 16.961 7.421 2 H2 LYS 1 H2 LYS 1 1.599 17.865 8.289 3 H3 LYS 1 H3 LYS 1 1.077 16.646 7.242 4 HA LYS 1 HA LYS 1 2.750 16.198 9.646 5 HB2 LYS 1 HB3 LYS 1 0.681 16.932 10.491 6 HB3 LYS 1 HB2 LYS 1 -0.236 16.023 9.265 7 HG2 LYS 1 HG3 LYS 1 0.205 13.955 10.321 8 HG3 LYS 1 HG2 LYS 1 1.470 14.664 11.354 9 HD2 LYS 1 HD3 LYS 1 -0.129 15.850 12.657 10 HD3 LYS 1 HD2 LYS 1 -1.432 15.514 11.491 11 HE2 LYS 1 HE3 LYS 1 -1.476 14.114 13.589 12 HE3 LYS 1 HE2 LYS 1 -1.465 13.199 12.061 13 HZ1 LYS 1 HZ1 LYS 1 0.858 13.672 13.860 14 HZ2 LYS 1 HZ2 LYS 1 0.947 12.900 12.357 15 HZ3 LYS 1 HZ3 LYS 1 0.050 12.207 13.612 16 H VAL 2 H VAL 2 0.561 14.705 7.240 17 HA VAL 2 HA VAL 2 1.657 12.074 7.804 18 HB VAL 2 HB VAL 2 0.163 11.309 5.951 19 HG11 VAL 2 HG11 VAL 2 -1.940 11.705 7.161 20 HG12 VAL 2 HG12 VAL 2 -1.147 12.987 8.107 21 HG13 VAL 2 HG13 VAL 2 -0.603 11.299 8.263 22 HG21 VAL 2 HG21 VAL 2 -0.700 14.219 5.892 23 HG22 VAL 2 HG22 VAL 2 -1.508 12.878 5.047 24 HG23 VAL 2 HG23 VAL 2 0.149 13.344 4.596 25 H LYS 3 H LYS 3 3.095 14.484 6.404 26 HA LYS 3 HA LYS 3 4.709 14.809 4.836 27 HB2 LYS 3 HB3 LYS 3 4.817 11.780 4.887 28 HB3 LYS 3 HB2 LYS 3 6.040 12.852 4.164 29 HG2 LYS 3 HG3 LYS 3 6.939 13.396 6.162 30 HG3 LYS 3 HG2 LYS 3 5.366 13.390 6.994 31 HD2 LYS 3 HD3 LYS 3 5.398 10.877 6.843 32 HD3 LYS 3 HD2 LYS 3 7.068 10.999 6.239 33 HE2 LYS 3 HE3 LYS 3 7.797 12.049 8.279 34 HE3 LYS 3 HE2 LYS 3 6.122 12.176 8.868 35 HZ1 LYS 3 HZ1 LYS 3 7.228 10.330 9.913 36 HZ2 LYS 3 HZ2 LYS 3 7.649 9.659 8.418 37 HZ3 LYS 3 HZ3 LYS 3 6.023 9.741 8.880 38 H PHE 4 H PHE 4 5.438 13.835 2.530 39 HA PHE 4 HA PHE 4 4.964 13.614 0.323 40 HB2 PHE 4 HB3 PHE 4 3.796 11.525 1.335 41 HB3 PHE 4 HB2 PHE 4 2.294 12.407 0.966 42 HD1 PHE 4 HD2 PHE 4 5.544 11.682 -0.769 43 HD2 PHE 4 HD1 PHE 4 1.275 11.792 -0.995 44 HE1 PHE 4 HE2 PHE 4 5.648 10.879 -3.097 45 HE2 PHE 4 HE1 PHE 4 1.376 10.982 -3.323 46 HZ PHE 4 HZ PHE 4 3.564 10.525 -4.377 47 H THR 5 H THR 5 3.384 14.186 -1.412 48 HA THR 5 HA THR 5 1.127 15.686 -1.231 49 HB THR 5 HB THR 5 2.496 17.289 0.181 50 HG1 THR 5 HG1 THR 5 0.970 18.533 -0.560 51 HG21 THR 5 HG21 THR 5 4.626 17.142 -1.036 52 HG22 THR 5 HG22 THR 5 4.029 18.818 -0.987 53 HG23 THR 5 HG23 THR 5 3.859 17.856 -2.474 54 H GLU 6 H GLU 6 0.893 17.176 -3.224 55 HA GLU 6 HA GLU 6 1.426 15.648 -5.518 56 HB2 GLU 6 HB3 GLU 6 0.786 18.606 -5.393 57 HB3 GLU 6 HB2 GLU 6 0.553 17.517 -6.782 58 HG2 GLU 6 HG3 GLU 6 -1.142 16.279 -5.578 59 HG3 GLU 6 HG2 GLU 6 -0.856 17.253 -4.115 60 H GLU 7 H GLU 7 3.112 18.476 -4.175 61 HA GLU 7 HA GLU 7 4.899 18.939 -6.265 62 HB2 GLU 7 HB3 GLU 7 5.243 19.302 -3.278 63 HB3 GLU 7 HB2 GLU 7 6.392 19.905 -4.496 64 HG2 GLU 7 HG3 GLU 7 4.381 21.152 -5.493 65 HG3 GLU 7 HG2 GLU 7 3.569 20.798 -3.949 66 H GLU 8 H GLU 8 4.802 16.322 -4.001 67 HA GLU 8 HA GLU 8 7.604 15.628 -4.428 68 HB2 GLU 8 HB3 GLU 8 5.514 14.048 -2.923 69 HB3 GLU 8 HB2 GLU 8 7.281 13.842 -2.872 70 HG2 GLU 8 HG3 GLU 8 5.556 15.933 -1.604 71 HG3 GLU 8 HG2 GLU 8 6.869 14.956 -0.903 72 H ASP 9 H ASP 9 4.410 14.600 -5.472 73 HA ASP 9 HA ASP 9 5.026 12.119 -6.642 74 HB2 ASP 9 HB3 ASP 9 3.030 14.279 -7.395 75 HB3 ASP 9 HB2 ASP 9 3.132 12.723 -8.253 76 H LEU 10 H LEU 10 5.142 15.401 -7.935 77 HA LEU 10 HA LEU 10 5.978 14.780 -10.552 78 HB2 LEU 10 HB3 LEU 10 6.684 17.271 -8.990 79 HB3 LEU 10 HB2 LEU 10 6.551 17.089 -10.756 80 HG LEU 10 HG LEU 10 4.219 16.811 -8.855 81 HD11 LEU 10 HD11 LEU 10 3.578 19.084 -9.556 82 HD12 LEU 10 HD12 LEU 10 5.107 19.232 -10.454 83 HD13 LEU 10 HD13 LEU 10 5.128 19.070 -8.681 84 HD21 LEU 10 HD21 LEU 10 4.379 17.199 -11.859 85 HD22 LEU 10 HD22 LEU 10 2.883 17.140 -10.897 86 HD23 LEU 10 HD23 LEU 10 3.926 15.702 -11.010 87 H LYS 11 H LYS 11 7.825 15.497 -7.599 88 HA LYS 11 HA LYS 11 10.392 15.472 -8.779 89 HB2 LYS 11 HB3 LYS 11 9.533 14.803 -5.952 90 HB3 LYS 11 HB2 LYS 11 11.221 15.008 -6.479 91 HG2 LYS 11 HG3 LYS 11 10.569 17.350 -7.203 92 HG3 LYS 11 HG2 LYS 11 9.041 17.092 -6.325 93 HD2 LYS 11 HD3 LYS 11 10.499 16.448 -4.317 94 HD3 LYS 11 HD2 LYS 11 11.859 17.145 -5.230 95 HE2 LYS 11 HE3 LYS 11 11.078 18.880 -3.827 96 HE3 LYS 11 HE2 LYS 11 10.445 19.252 -5.449 97 HZ1 LYS 11 HZ1 LYS 11 8.796 19.525 -3.663 98 HZ2 LYS 11 HZ2 LYS 11 8.903 17.869 -3.307 99 HZ3 LYS 11 HZ3 LYS 11 8.320 18.382 -4.817 100 H LEU 12 H LEU 12 8.414 12.908 -7.352 101 HA LEU 12 HA LEU 12 10.288 10.838 -7.383 102 HB2 LEU 12 HB3 LEU 12 7.406 11.097 -7.142 103 HB3 LEU 12 HB2 LEU 12 7.872 9.622 -8.024 104 HG LEU 12 HG LEU 12 9.334 9.006 -6.114 105 HD11 LEU 12 HD11 LEU 12 9.004 10.141 -3.953 106 HD12 LEU 12 HD12 LEU 12 7.979 11.356 -4.752 107 HD13 LEU 12 HD13 LEU 12 9.704 11.232 -5.172 108 HD21 LEU 12 HD21 LEU 12 6.405 9.457 -5.469 109 HD22 LEU 12 HD22 LEU 12 7.490 8.321 -4.632 110 HD23 LEU 12 HD23 LEU 12 7.092 8.070 -6.348 111 H GLN 13 H GLN 13 7.898 11.669 -9.908 112 HA GLN 13 HA GLN 13 8.579 9.724 -11.773 113 HB2 GLN 13 HB3 GLN 13 6.625 11.081 -12.065 114 HB3 GLN 13 HB2 GLN 13 7.608 12.560 -12.190 115 HG2 GLN 13 HG3 GLN 13 6.806 11.943 -14.366 116 HG3 GLN 13 HG2 GLN 13 8.570 11.708 -14.296 117 HE21 GLN 13 HE22 GLN 13 9.408 9.657 -14.428 118 HE22 GLN 13 HE21 GLN 13 8.464 8.286 -14.906 119 H GLN 14 H GLN 14 10.135 12.839 -11.164 120 HA GLN 14 HA GLN 14 11.929 12.615 -13.408 121 HB2 GLN 14 HB3 GLN 14 11.997 14.422 -10.975 122 HB3 GLN 14 HB2 GLN 14 13.069 14.561 -12.389 123 HG2 GLN 14 HG3 GLN 14 10.055 14.835 -12.426 124 HG3 GLN 14 HG2 GLN 14 11.221 16.180 -12.438 125 HE21 GLN 14 HE22 GLN 14 12.412 16.584 -14.289 126 HE22 GLN 14 HE21 GLN 14 11.998 15.907 -15.827 127 H LEU 15 H LEU 15 12.239 12.176 -9.892 128 HA LEU 15 HA LEU 15 15.000 11.563 -9.917 129 HB2 LEU 15 HB3 LEU 15 12.801 11.422 -7.963 130 HB3 LEU 15 HB2 LEU 15 14.151 10.295 -7.687 131 HG LEU 15 HG LEU 15 15.715 12.177 -7.646 132 HD11 LEU 15 HD11 LEU 15 14.882 14.492 -7.549 133 HD12 LEU 15 HD12 LEU 15 13.239 13.911 -7.909 134 HD13 LEU 15 HD13 LEU 15 14.533 13.727 -9.117 135 HD21 LEU 15 HD21 LEU 15 13.362 12.493 -5.760 136 HD22 LEU 15 HD22 LEU 15 14.996 13.148 -5.501 137 HD23 LEU 15 HD23 LEU 15 14.741 11.388 -5.555 138 H VAL 16 H VAL 16 12.165 9.393 -9.878 139 HA VAL 16 HA VAL 16 13.632 6.975 -9.772 140 HB VAL 16 HB VAL 16 10.886 7.506 -10.969 141 HG11 VAL 16 HG11 VAL 16 10.482 5.097 -10.646 142 HG12 VAL 16 HG12 VAL 16 12.172 4.887 -10.129 143 HG13 VAL 16 HG13 VAL 16 11.807 5.395 -11.795 144 HG21 VAL 16 HG21 VAL 16 11.710 6.539 -8.215 145 HG22 VAL 16 HG22 VAL 16 10.040 6.662 -8.815 146 HG23 VAL 16 HG23 VAL 16 11.024 8.132 -8.615 147 H MET 17 H MET 17 12.702 9.057 -12.425 148 HA MET 17 HA MET 17 13.366 7.250 -14.533 149 HB2 MET 17 HB3 MET 17 11.898 9.309 -14.686 150 HB3 MET 17 HB2 MET 17 13.396 10.271 -14.677 151 HG2 MET 17 HG3 MET 17 14.116 9.273 -16.739 152 HG3 MET 17 HG2 MET 17 12.744 8.138 -16.718 153 HE1 MET 17 HE1 MET 17 11.883 10.510 -19.733 154 HE2 MET 17 HE2 MET 17 12.127 8.827 -19.207 155 HE3 MET 17 HE3 MET 17 13.500 9.960 -19.233 156 H ARG 18 H ARG 18 15.204 9.584 -12.660 157 HA ARG 18 HA ARG 18 17.550 9.339 -14.358 158 HB2 ARG 18 HB3 ARG 18 17.013 10.826 -11.775 159 HB3 ARG 18 HB2 ARG 18 18.580 10.838 -12.620 160 HG2 ARG 18 HG3 ARG 18 17.782 12.113 -14.369 161 HG3 ARG 18 HG2 ARG 18 16.092 11.621 -14.099 162 HD2 ARG 18 HD3 ARG 18 16.525 13.975 -13.452 163 HD3 ARG 18 HD2 ARG 18 15.973 12.972 -12.089 164 HE ARG 18 HE ARG 18 18.839 13.148 -12.293 165 HH11 ARG 18 HH11 ARG 18 15.968 14.760 -11.081 166 HH12 ARG 18 HH12 ARG 18 16.824 15.601 -9.827 167 HH21 ARG 18 HH22 ARG 18 19.952 14.264 -10.654 168 HH22 ARG 18 HH21 ARG 18 19.086 15.324 -9.586 169 H TYR 19 H TYR 19 16.526 8.194 -11.152 170 HA TYR 19 HA TYR 19 19.155 6.997 -10.708 171 HB2 TYR 19 HB3 TYR 19 16.695 6.983 -8.945 172 HB3 TYR 19 HB2 TYR 19 18.311 6.380 -8.501 173 HD1 TYR 19 HD2 TYR 19 20.081 8.482 -9.545 174 HD2 TYR 19 HD1 TYR 19 16.308 8.832 -7.561 175 HE1 TYR 19 HE2 TYR 19 20.707 10.729 -8.755 176 HE2 TYR 19 HE1 TYR 19 16.934 11.081 -6.768 177 HH TYR 19 HH TYR 19 19.896 12.649 -7.843 178 H GLY 20 H GLY 20 15.809 5.898 -11.145 179 HA2 GLY 20 HA3 GLY 20 15.605 3.856 -12.539 180 HA3 GLY 20 HA2 GLY 20 16.902 3.174 -11.528 181 H ALA 21 H ALA 21 15.282 1.443 -11.242 182 HA ALA 21 HA ALA 21 13.156 2.150 -9.323 183 HB1 ALA 21 HB1 ALA 21 12.156 -0.026 -9.909 184 HB2 ALA 21 HB2 ALA 21 13.501 -0.331 -11.033 185 HB3 ALA 21 HB3 ALA 21 12.377 1.016 -11.334 186 H LYS 22 H LYS 22 16.042 1.786 -8.674 187 HA LYS 22 HA LYS 22 15.608 -0.137 -6.506 188 HB2 LYS 22 HB3 LYS 22 16.768 -1.338 -8.366 189 HB3 LYS 22 HB2 LYS 22 18.134 -0.214 -8.166 190 HG2 LYS 22 HG3 LYS 22 18.444 -0.987 -5.864 191 HG3 LYS 22 HG2 LYS 22 17.062 -2.095 -6.043 192 HD2 LYS 22 HD3 LYS 22 18.223 -3.350 -7.750 193 HD3 LYS 22 HD2 LYS 22 19.566 -2.181 -7.751 194 HE2 LYS 22 HE3 LYS 22 18.740 -3.792 -5.322 195 HE3 LYS 22 HE2 LYS 22 19.991 -4.316 -6.476 196 HZ1 LYS 22 HZ1 LYS 22 20.050 -1.826 -4.843 197 HZ2 LYS 22 HZ2 LYS 22 21.223 -2.285 -5.970 198 HZ3 LYS 22 HZ3 LYS 22 20.976 -3.216 -4.582 199 H ASP 23 H ASP 23 17.391 2.573 -7.816 200 HA ASP 23 HA ASP 23 18.937 2.968 -5.406 201 HB2 ASP 23 HB3 ASP 23 19.676 3.567 -7.767 202 HB3 ASP 23 HB2 ASP 23 18.581 4.965 -7.643 203 H TRP 24 H TRP 24 16.367 2.848 -4.589 204 HA TRP 24 HA TRP 24 15.076 5.386 -4.411 205 HB2 TRP 24 HB3 TRP 24 14.812 3.031 -2.518 206 HB3 TRP 24 HB2 TRP 24 13.644 4.350 -2.774 207 HD1 TRP 24 HD1 TRP 24 14.689 0.973 -4.145 208 HE1 TRP 24 HE1 TRP 24 13.155 0.333 -6.103 209 HE3 TRP 24 HE3 TRP 24 12.249 5.431 -4.758 210 HZ2 TRP 24 HZ2 TRP 24 11.172 1.522 -7.697 211 HZ3 TRP 24 HZ3 TRP 24 10.529 5.604 -6.528 212 HH2 TRP 24 HH2 TRP 24 9.999 3.675 -7.971 213 H ILE 25 H ILE 25 17.739 3.958 -2.839 214 HA ILE 25 HA ILE 25 17.627 5.359 -0.360 215 HB ILE 25 HB ILE 25 20.216 4.906 -0.444 216 HG12 ILE 25 HG12 ILE 25 19.157 3.113 -2.651 217 HG13 ILE 25 HG13 ILE 25 20.354 4.419 -2.822 218 HG21 ILE 25 HG21 ILE 25 19.796 2.611 0.356 219 HG22 ILE 25 HG22 ILE 25 18.148 2.687 -0.310 220 HG23 ILE 25 HG23 ILE 25 18.621 3.770 1.021 221 HD11 ILE 25 HD11 ILE 25 21.922 3.166 -1.412 222 HD12 ILE 25 HD12 ILE 25 21.425 2.223 -2.837 223 HD13 ILE 25 HD13 ILE 25 20.725 1.860 -1.241 224 H ARG 26 H ARG 26 18.868 6.121 -3.552 225 HA ARG 26 HA ARG 26 20.339 8.445 -2.903 226 HB2 ARG 26 HB3 ARG 26 19.968 7.047 -5.155 227 HB3 ARG 26 HB2 ARG 26 18.765 8.328 -5.443 228 HG2 ARG 26 HG3 ARG 26 20.667 9.119 -6.507 229 HG3 ARG 26 HG2 ARG 26 20.691 9.962 -4.939 230 HD2 ARG 26 HD3 ARG 26 22.740 8.425 -6.093 231 HD3 ARG 26 HD2 ARG 26 22.684 9.103 -4.447 232 HE ARG 26 HE ARG 26 21.596 6.418 -5.063 233 HH11 ARG 26 HH11 ARG 26 23.745 8.522 -3.264 234 HH12 ARG 26 HH12 ARG 26 24.135 7.331 -2.066 235 HH21 ARG 26 HH22 ARG 26 22.119 4.833 -3.508 236 HH22 ARG 26 HH21 ARG 26 23.217 5.216 -2.218 237 H ILE 27 H ILE 27 16.931 7.822 -3.358 238 HA ILE 27 HA ILE 27 16.119 10.592 -3.426 239 HB ILE 27 HB ILE 27 14.446 8.118 -2.828 240 HG12 ILE 27 HG12 ILE 27 14.909 9.495 -5.490 241 HG13 ILE 27 HG13 ILE 27 15.685 7.975 -4.982 242 HG21 ILE 27 HG21 ILE 27 12.564 9.500 -3.615 243 HG22 ILE 27 HG22 ILE 27 13.667 10.882 -3.816 244 HG23 ILE 27 HG23 ILE 27 13.359 10.218 -2.194 245 HD11 ILE 27 HD11 ILE 27 13.487 6.900 -4.844 246 HD12 ILE 27 HD12 ILE 27 13.794 7.556 -6.470 247 HD13 ILE 27 HD13 ILE 27 12.711 8.419 -5.352 248 H SER 28 H SER 28 16.732 8.158 -1.035 249 HA SER 28 HA SER 28 15.285 9.292 1.136 250 HB2 SER 28 HB3 SER 28 17.774 7.600 1.423 251 HB3 SER 28 HB2 SER 28 16.374 7.718 2.517 252 HG SER 28 HG SER 28 15.451 7.000 0.142 253 H GLN 29 H GLN 29 18.120 10.311 -0.439 254 HA GLN 29 HA GLN 29 19.521 11.497 1.745 255 HB2 GLN 29 HB3 GLN 29 19.462 12.318 -1.175 256 HB3 GLN 29 HB2 GLN 29 20.660 12.832 0.037 257 HG2 GLN 29 HG3 GLN 29 21.428 10.517 0.253 258 HG3 GLN 29 HG2 GLN 29 20.237 10.011 -0.969 259 HE21 GLN 29 HE22 GLN 29 20.475 10.818 -3.115 260 HE22 GLN 29 HE21 GLN 29 22.035 11.289 -3.706 261 H LEU 30 H LEU 30 16.930 12.537 -0.387 262 HA LEU 30 HA LEU 30 16.850 15.204 0.835 263 HB2 LEU 30 HB3 LEU 30 15.121 13.997 -1.345 264 HB3 LEU 30 HB2 LEU 30 15.180 15.707 -0.852 265 HG LEU 30 HG LEU 30 17.450 14.178 -2.147 266 HD11 LEU 30 HD11 LEU 30 16.943 15.535 -4.139 267 HD12 LEU 30 HD12 LEU 30 15.524 16.216 -3.307 268 HD13 LEU 30 HD13 LEU 30 15.581 14.479 -3.692 269 HD21 LEU 30 HD21 LEU 30 17.115 17.129 -1.515 270 HD22 LEU 30 HD22 LEU 30 18.467 16.406 -2.417 271 HD23 LEU 30 HD23 LEU 30 18.222 15.996 -0.703 272 H MET 31 H MET 31 14.763 12.395 0.237 273 HA MET 31 HA MET 31 12.950 13.283 2.381 274 HB2 MET 31 HB3 MET 31 12.683 11.069 0.319 275 HB3 MET 31 HB2 MET 31 11.455 11.510 1.529 276 HG2 MET 31 HG3 MET 31 11.033 13.586 0.496 277 HG3 MET 31 HG2 MET 31 12.499 13.475 -0.508 278 HE1 MET 31 HE1 MET 31 9.741 13.295 -3.246 279 HE2 MET 31 HE2 MET 31 11.263 14.056 -2.726 280 HE3 MET 31 HE3 MET 31 9.773 14.314 -1.788 281 H ILE 32 H ILE 32 14.044 12.752 4.207 282 HA ILE 32 HA ILE 32 15.022 9.976 4.489 283 HB ILE 32 HB ILE 32 16.681 11.837 4.844 284 HG12 ILE 32 HG12 ILE 32 17.600 10.915 6.971 285 HG13 ILE 32 HG13 ILE 32 16.091 9.989 7.164 286 HG21 ILE 32 HG21 ILE 32 16.607 13.083 6.964 287 HG22 ILE 32 HG22 ILE 32 15.001 12.395 7.304 288 HG23 ILE 32 HG23 ILE 32 15.230 13.473 5.906 289 HD11 ILE 32 HD11 ILE 32 16.551 8.803 5.067 290 HD12 ILE 32 HD12 ILE 32 17.876 8.600 6.238 291 HD13 ILE 32 HD13 ILE 32 18.059 9.729 4.874 292 H THR 33 H THR 33 12.504 12.017 5.313 293 HA THR 33 HA THR 33 11.925 10.819 7.898 294 HB THR 33 HB THR 33 9.820 12.426 6.556 295 HG1 THR 33 HG1 THR 33 11.970 13.971 7.469 296 HG21 THR 33 HG21 THR 33 9.768 11.811 8.947 297 HG22 THR 33 HG22 THR 33 9.848 13.577 8.737 298 HG23 THR 33 HG23 THR 33 11.307 12.669 9.200 299 H ARG 34 H ARG 34 11.897 9.357 5.178 300 HA ARG 34 HA ARG 34 9.412 7.888 5.722 301 HB2 ARG 34 HB3 ARG 34 8.888 9.554 3.976 302 HB3 ARG 34 HB2 ARG 34 10.212 8.908 2.976 303 HG2 ARG 34 HG3 ARG 34 8.948 6.666 3.129 304 HG3 ARG 34 HG2 ARG 34 7.567 7.652 3.669 305 HD2 ARG 34 HD3 ARG 34 9.114 8.039 1.088 306 HD3 ARG 34 HD2 ARG 34 7.527 7.247 1.237 307 HE ARG 34 HE ARG 34 6.684 9.431 2.046 308 HH11 ARG 34 HH11 ARG 34 9.589 9.305 0.108 309 HH12 ARG 34 HH12 ARG 34 9.449 10.946 -0.442 310 HH21 ARG 34 HH22 ARG 34 6.485 11.570 1.348 311 HH22 ARG 34 HH21 ARG 34 7.681 12.257 0.291 312 H ASN 35 H ASN 35 9.462 5.732 5.125 313 HA ASN 35 HA ASN 35 11.972 4.399 5.046 314 HB2 ASN 35 HB3 ASN 35 9.168 3.475 4.298 315 HB3 ASN 35 HB2 ASN 35 10.587 2.400 4.298 316 HD21 ASN 35 HD22 ASN 35 8.365 1.801 5.766 317 HD22 ASN 35 HD21 ASN 35 8.723 1.916 7.454 318 HA PRO 36 HA PRO 36 13.144 5.015 0.799 319 HB2 PRO 36 HB3 PRO 36 14.185 2.191 1.058 320 HB3 PRO 36 HB2 PRO 36 15.023 3.651 0.478 321 HG2 PRO 36 HG3 PRO 36 15.511 2.682 2.908 322 HG3 PRO 36 HG2 PRO 36 15.417 4.438 2.632 323 HD2 PRO 36 HD3 PRO 36 13.415 2.599 3.911 324 HD3 PRO 36 HD2 PRO 36 13.820 4.286 4.310 325 H ARG 37 H ARG 37 11.737 1.909 1.798 326 HA ARG 37 HA ARG 37 10.877 1.121 -0.809 327 HB2 ARG 37 HB3 ARG 37 10.327 0.193 1.978 328 HB3 ARG 37 HB2 ARG 37 9.255 -0.339 0.660 329 HG2 ARG 37 HG3 ARG 37 11.012 -1.461 -0.451 330 HG3 ARG 37 HG2 ARG 37 12.254 -0.672 0.551 331 HD2 ARG 37 HD3 ARG 37 10.138 -2.601 1.560 332 HD3 ARG 37 HD2 ARG 37 11.840 -3.013 1.237 333 HE ARG 37 HE ARG 37 12.471 -1.559 3.042 334 HH11 ARG 37 HH11 ARG 37 9.042 -2.233 2.825 335 HH12 ARG 37 HH12 ARG 37 8.728 -1.829 4.480 336 HH21 ARG 37 HH22 ARG 37 12.063 -1.019 5.219 337 HH22 ARG 37 HH21 ARG 37 10.450 -1.133 5.849 338 H GLN 38 H GLN 38 9.549 3.294 1.549 339 HA GLN 38 HA GLN 38 6.827 3.039 0.693 340 HB2 GLN 38 HB3 GLN 38 8.184 5.288 2.190 341 HB3 GLN 38 HB2 GLN 38 6.434 5.169 1.881 342 HG2 GLN 38 HG3 GLN 38 8.169 3.536 3.702 343 HG3 GLN 38 HG2 GLN 38 6.643 4.386 4.046 344 HE21 GLN 38 HE22 GLN 38 4.701 3.450 3.322 345 HE22 GLN 38 HE21 GLN 38 4.570 1.757 3.009 346 H CYS 39 H CYS 39 9.572 5.012 -0.267 347 HA CYS 39 HA CYS 39 8.157 6.731 -2.052 348 HB2 CYS 39 HB3 CYS 39 11.028 5.799 -2.350 349 HB3 CYS 39 HB2 CYS 39 10.301 7.314 -2.939 350 HG CYS 39 HG CYS 39 11.997 6.934 -0.263 351 H ARG 40 H ARG 40 9.567 3.537 -2.258 352 HA ARG 40 HA ARG 40 9.247 3.147 -5.075 353 HB2 ARG 40 HB3 ARG 40 10.819 1.802 -3.834 354 HB3 ARG 40 HB2 ARG 40 9.541 1.249 -2.725 355 HG2 ARG 40 HG3 ARG 40 8.534 -0.083 -4.453 356 HG3 ARG 40 HG2 ARG 40 9.639 0.585 -5.678 357 HD2 ARG 40 HD3 ARG 40 11.493 -0.542 -4.805 358 HD3 ARG 40 HD2 ARG 40 10.714 -0.796 -3.225 359 HE ARG 40 HE ARG 40 9.272 -2.163 -5.231 360 HH11 ARG 40 HH11 ARG 40 12.308 -2.309 -3.480 361 HH12 ARG 40 HH12 ARG 40 12.433 -4.038 -3.599 362 HH21 ARG 40 HH22 ARG 40 9.452 -4.444 -5.384 363 HH22 ARG 40 HH21 ARG 40 10.811 -5.241 -4.672 364 H GLU 41 H GLU 41 7.350 2.547 -2.182 365 HA GLU 41 HA GLU 41 5.207 1.108 -3.359 366 HB2 GLU 41 HB3 GLU 41 5.586 1.108 -0.955 367 HB3 GLU 41 HB2 GLU 41 5.332 2.868 -0.886 368 HG2 GLU 41 HG3 GLU 41 2.995 1.941 -2.022 369 HG3 GLU 41 HG2 GLU 41 3.403 0.677 -0.836 370 H ARG 42 H ARG 42 6.043 4.500 -3.205 371 HA ARG 42 HA ARG 42 3.429 5.505 -3.826 372 HB2 ARG 42 HB3 ARG 42 6.202 6.709 -3.919 373 HB3 ARG 42 HB2 ARG 42 4.748 7.597 -4.436 374 HG2 ARG 42 HG3 ARG 42 5.274 6.484 -1.671 375 HG3 ARG 42 HG2 ARG 42 5.391 8.191 -2.163 376 HD2 ARG 42 HD3 ARG 42 3.282 8.046 -1.169 377 HD3 ARG 42 HD2 ARG 42 2.936 7.930 -2.911 378 HE ARG 42 HE ARG 42 3.039 5.591 -1.093 379 HH11 ARG 42 HH11 ARG 42 1.659 7.330 -3.801 380 HH12 ARG 42 HH12 ARG 42 0.461 6.122 -4.125 381 HH21 ARG 42 HH22 ARG 42 1.511 3.992 -1.533 382 HH22 ARG 42 HH21 ARG 42 0.368 4.221 -2.827 383 H TRP 43 H TRP 43 6.444 5.312 -5.721 384 HA TRP 43 HA TRP 43 5.337 6.007 -8.190 385 HB2 TRP 43 HB3 TRP 43 7.624 6.060 -8.240 386 HB3 TRP 43 HB2 TRP 43 7.792 4.558 -7.299 387 HD1 TRP 43 HD1 TRP 43 8.258 2.371 -8.623 388 HE1 TRP 43 HE1 TRP 43 8.471 1.777 -11.111 389 HE3 TRP 43 HE3 TRP 43 6.593 6.769 -10.660 390 HZ2 TRP 43 HZ2 TRP 43 8.005 2.973 -13.608 391 HZ3 TRP 43 HZ3 TRP 43 6.510 6.970 -13.125 392 HH2 TRP 43 HH2 TRP 43 7.206 5.096 -14.575 393 H ASN 44 H ASN 44 5.874 2.783 -6.809 394 HA ASN 44 HA ASN 44 4.815 1.340 -8.986 395 HB2 ASN 44 HB3 ASN 44 5.733 0.719 -6.286 396 HB3 ASN 44 HB2 ASN 44 4.410 -0.334 -6.844 397 HD21 ASN 44 HD22 ASN 44 5.919 -2.067 -6.862 398 HD22 ASN 44 HD21 ASN 44 7.040 -2.253 -8.166 399 H ASN 45 H ASN 45 3.122 2.905 -6.337 400 HA ASN 45 HA ASN 45 0.648 1.566 -7.260 401 HB2 ASN 45 HB3 ASN 45 1.542 2.588 -4.588 402 HB3 ASN 45 HB2 ASN 45 -0.195 2.576 -4.978 403 HD21 ASN 45 HD22 ASN 45 2.598 0.680 -4.263 404 HD22 ASN 45 HD21 ASN 45 1.779 -0.833 -4.054 405 H TYR 46 H TYR 46 2.065 4.310 -8.129 406 HA TYR 46 HA TYR 46 -0.515 5.735 -8.133 407 HB2 TYR 46 HB3 TYR 46 1.313 6.438 -6.341 408 HB3 TYR 46 HB2 TYR 46 2.005 7.299 -7.738 409 HD1 TYR 46 HD1 TYR 46 0.620 9.067 -8.890 410 HD2 TYR 46 HD2 TYR 46 -0.541 7.314 -5.165 411 HE1 TYR 46 HE1 TYR 46 -0.878 10.978 -8.459 412 HE2 TYR 46 HE2 TYR 46 -2.052 9.214 -4.739 413 HH TYR 46 HH TYR 46 -2.162 11.653 -5.474 414 H ILE 47 H ILE 47 2.845 5.829 -9.380 415 HA ILE 47 HA ILE 47 1.790 7.051 -11.845 416 HB ILE 47 HB ILE 47 4.737 6.849 -11.431 417 HG12 ILE 47 HG12 ILE 47 3.059 8.904 -9.961 418 HG13 ILE 47 HG13 ILE 47 3.795 7.478 -9.190 419 HG21 ILE 47 HG21 ILE 47 4.650 9.094 -12.450 420 HG22 ILE 47 HG22 ILE 47 2.871 9.031 -12.425 421 HG23 ILE 47 HG23 ILE 47 3.789 7.889 -13.436 422 HD11 ILE 47 HD11 ILE 47 6.023 8.297 -9.803 423 HD12 ILE 47 HD12 ILE 47 5.137 9.484 -8.816 424 HD13 ILE 47 HD13 ILE 47 5.286 9.723 -10.573 425 H ASN 48 H ASN 48 3.055 4.105 -10.663 426 HA ASN 48 HA ASN 48 4.120 3.189 -13.181 427 HB2 ASN 48 HB3 ASN 48 4.879 2.410 -10.884 428 HB3 ASN 48 HB2 ASN 48 3.396 1.426 -10.839 429 HD21 ASN 48 HD22 ASN 48 6.084 0.479 -10.729 430 HD22 ASN 48 HD21 ASN 48 6.331 -0.542 -12.105 431 HA PRO 49 HA PRO 49 0.107 0.849 -13.732 432 HB2 PRO 49 HB3 PRO 49 -1.597 0.308 -11.707 433 HB3 PRO 49 HB2 PRO 49 0.002 -0.473 -11.755 434 HG2 PRO 49 HG3 PRO 49 -0.971 1.786 -10.062 435 HG3 PRO 49 HG2 PRO 49 0.204 0.504 -9.682 436 HD2 PRO 49 HD3 PRO 49 0.772 3.171 -10.544 437 HD3 PRO 49 HD2 PRO 49 1.934 1.842 -10.320 438 H ALA 50 H ALA 50 -2.504 1.029 -13.486 439 HA ALA 50 HA ALA 50 -3.227 3.883 -13.310 440 HB1 ALA 50 HB1 ALA 50 -4.671 3.613 -15.289 441 HB2 ALA 50 HB2 ALA 50 -4.076 1.947 -15.487 442 HB3 ALA 50 HB3 ALA 50 -2.957 3.320 -15.669 443 H LEU 51 H LEU 51 -3.843 2.990 -11.129 444 HA LEU 51 HA LEU 51 -6.146 1.286 -10.959 445 HB2 LEU 51 HB3 LEU 51 -6.108 2.387 -8.542 446 HB3 LEU 51 HB2 LEU 51 -4.991 1.090 -9.032 447 HG LEU 51 HG LEU 51 -3.707 3.488 -9.709 448 HD11 LEU 51 HD11 LEU 51 -3.642 4.708 -7.572 449 HD12 LEU 51 HD12 LEU 51 -4.916 3.643 -6.932 450 HD13 LEU 51 HD13 LEU 51 -5.266 4.726 -8.300 451 HD21 LEU 51 HD21 LEU 51 -3.329 1.646 -7.330 452 HD22 LEU 51 HD22 LEU 51 -2.128 2.806 -7.947 453 HD23 LEU 51 HD23 LEU 51 -2.637 1.431 -8.955 454 H ARG 52 H ARG 52 -7.402 2.520 -12.518 455 HA ARG 52 HA ARG 52 -9.061 4.551 -11.185 456 HB2 ARG 52 HB3 ARG 52 -7.969 4.857 -14.003 457 HB3 ARG 52 HB2 ARG 52 -9.066 5.977 -13.161 458 HG2 ARG 52 HG3 ARG 52 -7.349 6.601 -11.610 459 HG3 ARG 52 HG2 ARG 52 -6.261 5.332 -12.222 460 HD2 ARG 52 HD3 ARG 52 -5.447 7.225 -13.279 461 HD3 ARG 52 HD2 ARG 52 -6.546 6.553 -14.507 462 HE ARG 52 HE ARG 52 -7.352 8.742 -12.685 463 HH11 ARG 52 HH11 ARG 52 -7.129 7.325 -15.885 464 HH12 ARG 52 HH12 ARG 52 -7.974 8.630 -16.654 465 HH21 ARG 52 HH22 ARG 52 -8.466 10.445 -13.691 466 HH22 ARG 52 HH21 ARG 52 -8.730 10.409 -15.405 467 H THR 53 H THR 53 -10.415 5.045 -13.718 468 HA THR 53 HA THR 53 -12.562 4.390 -14.354 469 HB THR 53 HB THR 53 -11.740 2.079 -15.814 470 HG1 THR 53 HG1 THR 53 -9.661 2.427 -16.014 471 HG21 THR 53 HG21 THR 53 -13.314 3.824 -16.560 472 HG22 THR 53 HG22 THR 53 -11.976 3.631 -17.717 473 HG23 THR 53 HG23 THR 53 -11.987 5.010 -16.592 474 H ASP 54 H ASP 54 -12.670 3.514 -11.850 475 HA ASP 54 HA ASP 54 -13.946 2.139 -10.529 476 HB2 ASP 54 HB3 ASP 54 -14.533 0.652 -13.105 477 HB3 ASP 54 HB2 ASP 54 -15.285 0.306 -11.529 478 HA PRO 55 HA PRO 55 -11.071 -1.008 -9.429 479 HB2 PRO 55 HB3 PRO 55 -12.556 -2.526 -7.689 480 HB3 PRO 55 HB2 PRO 55 -12.009 -0.880 -7.289 481 HG2 PRO 55 HG3 PRO 55 -14.686 -1.814 -8.287 482 HG3 PRO 55 HG2 PRO 55 -14.306 -0.643 -7.001 483 HD2 PRO 55 HD3 PRO 55 -15.026 0.104 -9.532 484 HD3 PRO 55 HD2 PRO 55 -13.953 1.082 -8.503 485 H TRP 56 H TRP 56 -12.159 -3.713 -8.604 486 HA TRP 56 HA TRP 56 -12.221 -4.842 -11.301 487 HB2 TRP 56 HB3 TRP 56 -12.213 -6.962 -9.467 488 HB3 TRP 56 HB2 TRP 56 -10.872 -6.377 -10.481 489 HD1 TRP 56 HD1 TRP 56 -9.298 -4.360 -9.220 490 HE1 TRP 56 HE1 TRP 56 -8.530 -4.298 -6.768 491 HE3 TRP 56 HE3 TRP 56 -12.705 -7.616 -7.209 492 HZ2 TRP 56 HZ2 TRP 56 -9.230 -5.467 -4.311 493 HZ3 TRP 56 HZ3 TRP 56 -12.584 -8.108 -4.788 494 HH2 TRP 56 HH2 TRP 56 -10.873 -7.043 -3.362 495 H SER 57 H SER 57 -13.687 -6.612 -11.771 496 HA SER 57 HA SER 57 -16.378 -5.949 -10.838 497 HB2 SER 57 HB3 SER 57 -16.633 -7.897 -12.783 498 HB3 SER 57 HB2 SER 57 -16.652 -6.140 -13.073 499 HG SER 57 HG SER 57 -14.321 -7.803 -13.099 500 HA PRO 58 HA PRO 58 -17.224 -9.501 -8.375 501 HB2 PRO 58 HB3 PRO 58 -19.299 -10.446 -10.341 502 HB3 PRO 58 HB2 PRO 58 -19.458 -10.121 -8.598 503 HG2 PRO 58 HG3 PRO 58 -20.431 -8.411 -10.386 504 HG3 PRO 58 HG2 PRO 58 -19.629 -7.821 -8.911 505 HD2 PRO 58 HD3 PRO 58 -18.578 -7.954 -11.730 506 HD3 PRO 58 HD2 PRO 58 -18.360 -6.685 -10.501 507 H GLU 59 H GLU 59 -16.419 -9.995 -11.702 508 HA GLU 59 HA GLU 59 -16.301 -12.866 -11.700 509 HB2 GLU 59 HB3 GLU 59 -14.858 -10.822 -13.428 510 HB3 GLU 59 HB2 GLU 59 -15.000 -12.565 -13.763 511 HG2 GLU 59 HG3 GLU 59 -17.184 -12.405 -14.420 512 HG3 GLU 59 HG2 GLU 59 -17.500 -10.973 -13.410 513 H GLU 60 H GLU 60 -14.021 -10.204 -11.227 514 HA GLU 60 HA GLU 60 -11.758 -11.908 -10.712 515 HB2 GLU 60 HB3 GLU 60 -12.282 -8.951 -10.297 516 HB3 GLU 60 HB2 GLU 60 -10.755 -9.739 -9.831 517 HG2 GLU 60 HG3 GLU 60 -10.361 -8.740 -11.921 518 HG3 GLU 60 HG2 GLU 60 -10.548 -10.482 -12.237 519 H ASP 61 H ASP 61 -14.249 -10.288 -8.859 520 HA ASP 61 HA ASP 61 -13.177 -10.566 -6.267 521 HB2 ASP 61 HB3 ASP 61 -14.999 -9.151 -6.335 522 HB3 ASP 61 HB2 ASP 61 -15.932 -10.226 -7.405 523 H MET 62 H MET 62 -15.208 -12.755 -8.190 524 HA MET 62 HA MET 62 -15.420 -14.714 -6.108 525 HB2 MET 62 HB3 MET 62 -15.981 -14.840 -9.074 526 HB3 MET 62 HB2 MET 62 -16.242 -16.205 -7.961 527 HG2 MET 62 HG3 MET 62 -17.880 -14.962 -6.722 528 HG3 MET 62 HG2 MET 62 -17.528 -13.485 -7.651 529 HE1 MET 62 HE1 MET 62 -21.126 -14.296 -8.895 530 HE2 MET 62 HE2 MET 62 -20.029 -13.054 -8.247 531 HE3 MET 62 HE3 MET 62 -20.478 -14.455 -7.245 532 H LEU 63 H LEU 63 -13.236 -14.220 -8.834 533 HA LEU 63 HA LEU 63 -11.925 -16.760 -8.575 534 HB2 LEU 63 HB3 LEU 63 -11.957 -15.441 -10.660 535 HB3 LEU 63 HB2 LEU 63 -10.979 -14.185 -9.864 536 HG LEU 63 HG LEU 63 -9.160 -15.867 -9.592 537 HD11 LEU 63 HD11 LEU 63 -9.244 -17.907 -10.970 538 HD12 LEU 63 HD12 LEU 63 -10.929 -17.536 -11.407 539 HD13 LEU 63 HD13 LEU 63 -10.508 -17.901 -9.717 540 HD21 LEU 63 HD21 LEU 63 -10.101 -15.324 -12.427 541 HD22 LEU 63 HD22 LEU 63 -8.449 -15.784 -11.951 542 HD23 LEU 63 HD23 LEU 63 -9.132 -14.232 -11.409 543 H LEU 64 H LEU 64 -11.256 -13.460 -7.474 544 HA LEU 64 HA LEU 64 -8.740 -13.936 -6.290 545 HB2 LEU 64 HB3 LEU 64 -9.859 -11.709 -6.808 546 HB3 LEU 64 HB2 LEU 64 -10.784 -11.942 -5.305 547 HG LEU 64 HG LEU 64 -7.812 -12.081 -5.140 548 HD11 LEU 64 HD11 LEU 64 -7.659 -9.628 -4.975 549 HD12 LEU 64 HD12 LEU 64 -9.367 -9.494 -5.456 550 HD13 LEU 64 HD13 LEU 64 -8.170 -10.149 -6.598 551 HD21 LEU 64 HD21 LEU 64 -9.982 -10.862 -3.400 552 HD22 LEU 64 HD22 LEU 64 -8.253 -10.958 -2.992 553 HD23 LEU 64 HD23 LEU 64 -9.211 -12.448 -3.160 554 H ASP 65 H ASP 65 -12.038 -14.197 -5.041 555 HA ASP 65 HA ASP 65 -11.515 -14.646 -2.341 556 HB2 ASP 65 HB3 ASP 65 -13.767 -14.338 -3.192 557 HB3 ASP 65 HB2 ASP 65 -13.658 -15.856 -4.117 558 H GLN 66 H GLN 66 -11.435 -16.895 -5.063 559 HA GLN 66 HA GLN 66 -10.948 -19.241 -3.500 560 HB2 GLN 66 HB3 GLN 66 -11.901 -19.400 -5.728 561 HB3 GLN 66 HB2 GLN 66 -10.456 -18.633 -6.432 562 HG2 GLN 66 HG3 GLN 66 -9.151 -20.610 -5.482 563 HG3 GLN 66 HG2 GLN 66 -10.735 -21.381 -5.226 564 HE21 GLN 66 HE22 GLN 66 -11.980 -21.946 -7.024 565 HE22 GLN 66 HE21 GLN 66 -11.288 -22.099 -8.601 566 H LYS 67 H LYS 67 -8.841 -17.143 -5.473 567 HA LYS 67 HA LYS 67 -6.441 -18.543 -4.886 568 HB2 LYS 67 HB3 LYS 67 -6.870 -15.697 -5.829 569 HB3 LYS 67 HB2 LYS 67 -5.297 -16.530 -5.769 570 HG2 LYS 67 HG3 LYS 67 -7.674 -17.476 -7.391 571 HG3 LYS 67 HG2 LYS 67 -6.347 -16.476 -8.032 572 HD2 LYS 67 HD3 LYS 67 -4.747 -18.200 -7.672 573 HD3 LYS 67 HD2 LYS 67 -5.881 -19.143 -6.674 574 HE2 LYS 67 HE3 LYS 67 -7.299 -19.540 -8.620 575 HE3 LYS 67 HE2 LYS 67 -6.224 -18.542 -9.628 576 HZ1 LYS 67 HZ1 LYS 67 -5.982 -21.100 -9.642 577 HZ2 LYS 67 HZ2 LYS 67 -5.137 -20.882 -8.197 578 HZ3 LYS 67 HZ3 LYS 67 -4.590 -20.146 -9.615 579 H TYR 68 H TYR 68 -8.263 -16.246 -3.099 580 HA TYR 68 HA TYR 68 -6.118 -15.258 -1.450 581 HB2 TYR 68 HB3 TYR 68 -8.168 -13.965 -1.792 582 HB3 TYR 68 HB2 TYR 68 -9.124 -15.259 -1.030 583 HD1 TYR 68 HD1 TYR 68 -6.123 -13.139 -0.219 584 HD2 TYR 68 HD2 TYR 68 -9.768 -14.904 1.157 585 HE1 TYR 68 HE1 TYR 68 -5.813 -12.066 1.978 586 HE2 TYR 68 HE2 TYR 68 -9.456 -13.837 3.356 587 HH TYR 68 HH TYR 68 -7.647 -12.916 4.718 588 H ALA 69 H ALA 69 -8.163 -18.043 -1.485 589 HA ALA 69 HA ALA 69 -7.376 -18.761 1.260 590 HB1 ALA 69 HB1 ALA 69 -9.055 -20.551 1.049 591 HB2 ALA 69 HB2 ALA 69 -9.382 -20.040 -0.624 592 HB3 ALA 69 HB3 ALA 69 -9.758 -18.948 0.730 593 H GLU 70 H GLU 70 -6.095 -18.979 -1.692 594 HA GLU 70 HA GLU 70 -5.036 -21.712 -1.306 595 HB2 GLU 70 HB3 GLU 70 -5.294 -20.029 -3.815 596 HB3 GLU 70 HB2 GLU 70 -4.459 -21.599 -3.728 597 HG2 GLU 70 HG3 GLU 70 -7.370 -21.219 -3.014 598 HG3 GLU 70 HG2 GLU 70 -6.804 -21.640 -4.649 599 H TYR 71 H TYR 71 -4.117 -18.487 -2.553 600 HA TYR 71 HA TYR 71 -1.299 -19.077 -1.971 601 HB2 TYR 71 HB3 TYR 71 -2.729 -16.874 -3.474 602 HB3 TYR 71 HB2 TYR 71 -1.009 -16.752 -3.032 603 HD1 TYR 71 HD2 TYR 71 -3.452 -18.849 -4.937 604 HD2 TYR 71 HD1 TYR 71 0.646 -17.756 -4.372 605 HE1 TYR 71 HE2 TYR 71 -2.838 -20.103 -6.969 606 HE2 TYR 71 HE1 TYR 71 1.262 -19.010 -6.404 607 HH TYR 71 HH TYR 71 -1.193 -20.464 -8.477 608 H GLY 72 H GLY 72 -3.976 -17.062 -0.976 609 HA2 GLY 72 HA3 GLY 72 -4.195 -16.350 1.307 610 HA3 GLY 72 HA2 GLY 72 -2.419 -16.269 1.401 611 HA PRO 73 HA PRO 73 -3.958 -11.991 0.542 612 HB2 PRO 73 HB3 PRO 73 -2.593 -10.738 2.558 613 HB3 PRO 73 HB2 PRO 73 -4.148 -11.556 2.843 614 HG2 PRO 73 HG3 PRO 73 -1.354 -12.526 3.370 615 HG3 PRO 73 HG2 PRO 73 -2.808 -12.663 4.387 616 HD2 PRO 73 HD3 PRO 73 -1.866 -14.703 2.807 617 HD3 PRO 73 HD2 PRO 73 -3.580 -14.517 3.250 618 H LYS 74 H LYS 74 -1.810 -13.471 -0.734 619 HA LYS 74 HA LYS 74 0.506 -11.692 -0.702 620 HB2 LYS 74 HB3 LYS 74 -0.026 -14.272 -2.198 621 HB3 LYS 74 HB2 LYS 74 1.479 -13.327 -2.307 622 HG2 LYS 74 HG3 LYS 74 1.929 -13.687 0.042 623 HG3 LYS 74 HG2 LYS 74 0.364 -14.511 0.249 624 HD2 LYS 74 HD3 LYS 74 1.098 -16.269 -1.321 625 HD3 LYS 74 HD2 LYS 74 2.672 -15.453 -1.482 626 HE2 LYS 74 HE3 LYS 74 2.786 -17.321 0.109 627 HE3 LYS 74 HE2 LYS 74 3.094 -15.761 0.910 628 HZ1 LYS 74 HZ1 LYS 74 0.926 -15.782 1.844 629 HZ2 LYS 74 HZ2 LYS 74 1.588 -17.308 2.133 630 HZ3 LYS 74 HZ3 LYS 74 0.441 -17.107 0.908 631 H TRP 75 H TRP 75 -1.263 -10.109 -1.428 632 HA TRP 75 HA TRP 75 -2.313 -9.921 -3.946 633 HB2 TRP 75 HB3 TRP 75 -1.100 -7.511 -2.616 634 HB3 TRP 75 HB2 TRP 75 -2.550 -7.616 -3.643 635 HD1 TRP 75 HD1 TRP 75 -1.592 -7.380 -0.106 636 HE1 TRP 75 HE1 TRP 75 -3.529 -8.056 1.438 637 HE3 TRP 75 HE3 TRP 75 -4.667 -9.575 -3.562 638 HZ2 TRP 75 HZ2 TRP 75 -6.028 -9.316 1.251 639 HZ3 TRP 75 HZ3 TRP 75 -6.832 -10.494 -2.799 640 HH2 TRP 75 HH2 TRP 75 -7.502 -10.363 -0.427 641 H ASN 76 H ASN 76 1.051 -9.514 -3.106 642 HA ASN 76 HA ASN 76 2.069 -8.202 -5.345 643 HB2 ASN 76 HB3 ASN 76 3.228 -9.191 -3.195 644 HB3 ASN 76 HB2 ASN 76 3.465 -10.627 -4.220 645 HD21 ASN 76 HD22 ASN 76 5.303 -8.535 -3.025 646 HD22 ASN 76 HD21 ASN 76 6.270 -8.022 -4.370 647 H LYS 77 H LYS 77 1.216 -11.603 -4.904 648 HA LYS 77 HA LYS 77 1.962 -12.320 -7.617 649 HB2 LYS 77 HB3 LYS 77 0.888 -13.766 -5.229 650 HB3 LYS 77 HB2 LYS 77 0.631 -14.480 -6.840 651 HG2 LYS 77 HG3 LYS 77 2.586 -15.497 -6.151 652 HG3 LYS 77 HG2 LYS 77 3.192 -14.134 -7.124 653 HD2 LYS 77 HD3 LYS 77 3.729 -12.867 -5.184 654 HD3 LYS 77 HD2 LYS 77 2.827 -13.976 -4.124 655 HE2 LYS 77 HE3 LYS 77 5.153 -14.451 -3.837 656 HE3 LYS 77 HE2 LYS 77 4.451 -15.784 -4.785 657 HZ1 LYS 77 HZ1 LYS 77 6.578 -15.065 -5.680 658 HZ2 LYS 77 HZ2 LYS 77 5.995 -13.495 -5.897 659 HZ3 LYS 77 HZ3 LYS 77 5.337 -14.770 -6.792 660 H ILE 78 H ILE 78 -0.978 -11.646 -5.800 661 HA ILE 78 HA ILE 78 -2.884 -12.535 -7.653 662 HB ILE 78 HB ILE 78 -3.117 -10.164 -5.767 663 HG12 ILE 78 HG12 ILE 78 -2.476 -12.163 -4.562 664 HG13 ILE 78 HG13 ILE 78 -4.177 -11.761 -4.225 665 HG21 ILE 78 HG21 ILE 78 -5.539 -10.593 -5.877 666 HG22 ILE 78 HG22 ILE 78 -5.255 -11.861 -7.093 667 HG23 ILE 78 HG23 ILE 78 -4.869 -10.165 -7.469 668 HD11 ILE 78 HD11 ILE 78 -4.900 -13.512 -5.783 669 HD12 ILE 78 HD12 ILE 78 -3.868 -14.170 -4.491 670 HD13 ILE 78 HD13 ILE 78 -3.200 -13.915 -6.120 671 H SER 79 H SER 79 -1.257 -9.387 -7.385 672 HA SER 79 HA SER 79 -2.661 -8.119 -9.500 673 HB2 SER 79 HB3 SER 79 -0.496 -6.648 -9.488 674 HB3 SER 79 HB2 SER 79 -1.585 -6.629 -8.080 675 HG SER 79 HG SER 79 -0.160 -7.834 -6.942 676 H LYS 80 H LYS 80 -0.099 -10.423 -9.461 677 HA LYS 80 HA LYS 80 0.834 -9.796 -12.130 678 HB2 LYS 80 HB3 LYS 80 1.530 -11.910 -10.111 679 HB3 LYS 80 HB2 LYS 80 2.072 -12.043 -11.801 680 HG2 LYS 80 HG3 LYS 80 3.444 -10.187 -11.648 681 HG3 LYS 80 HG2 LYS 80 2.543 -9.505 -10.273 682 HD2 LYS 80 HD3 LYS 80 3.392 -11.445 -8.894 683 HD3 LYS 80 HD2 LYS 80 4.458 -11.850 -10.261 684 HE2 LYS 80 HE3 LYS 80 5.534 -10.445 -8.475 685 HE3 LYS 80 HE2 LYS 80 5.584 -9.738 -10.108 686 HZ1 LYS 80 HZ1 LYS 80 3.358 -9.031 -8.315 687 HZ2 LYS 80 HZ2 LYS 80 4.089 -8.113 -9.540 688 HZ3 LYS 80 HZ3 LYS 80 4.867 -8.315 -8.053 689 H PHE 81 H PHE 81 -1.455 -11.970 -10.623 690 HA PHE 81 HA PHE 81 -1.853 -13.570 -13.002 691 HB2 PHE 81 HB3 PHE 81 -3.664 -13.249 -10.580 692 HB3 PHE 81 HB2 PHE 81 -3.723 -14.546 -11.799 693 HD1 PHE 81 HD2 PHE 81 -0.707 -15.027 -11.950 694 HD2 PHE 81 HD1 PHE 81 -3.394 -14.585 -8.652 695 HE1 PHE 81 HE2 PHE 81 0.788 -16.402 -10.553 696 HE2 PHE 81 HE1 PHE 81 -1.905 -15.963 -7.251 697 HZ PHE 81 HZ PHE 81 0.193 -16.872 -8.198 698 H LEU 82 H LEU 82 -3.838 -11.227 -11.181 699 HA LEU 82 HA LEU 82 -5.401 -10.662 -13.600 700 HB2 LEU 82 HB3 LEU 82 -5.726 -9.929 -10.683 701 HB3 LEU 82 HB2 LEU 82 -6.708 -9.194 -11.973 702 HG LEU 82 HG LEU 82 -8.065 -10.829 -11.051 703 HD11 LEU 82 HD11 LEU 82 -8.329 -12.546 -12.792 704 HD12 LEU 82 HD12 LEU 82 -6.736 -12.106 -13.453 705 HD13 LEU 82 HD13 LEU 82 -8.066 -10.924 -13.475 706 HD21 LEU 82 HD21 LEU 82 -5.733 -12.760 -11.123 707 HD22 LEU 82 HD22 LEU 82 -7.391 -13.154 -10.613 708 HD23 LEU 82 HD23 LEU 82 -6.428 -11.984 -9.680 709 H LYS 83 H LYS 83 -3.988 -9.476 -14.814 710 HA LYS 83 HA LYS 83 -2.322 -7.386 -13.864 711 HB2 LYS 83 HB3 LYS 83 -1.888 -8.562 -15.950 712 HB3 LYS 83 HB2 LYS 83 -3.409 -7.943 -16.638 713 HG2 LYS 83 HG3 LYS 83 -2.466 -5.624 -16.375 714 HG3 LYS 83 HG2 LYS 83 -0.912 -6.383 -15.956 715 HD2 LYS 83 HD3 LYS 83 -0.821 -7.501 -18.099 716 HD3 LYS 83 HD2 LYS 83 -2.452 -6.919 -18.513 717 HE2 LYS 83 HE3 LYS 83 -1.641 -4.603 -18.454 718 HE3 LYS 83 HE2 LYS 83 -0.010 -5.184 -18.040 719 HZ1 LYS 83 HZ1 LYS 83 -1.498 -5.756 -20.550 720 HZ2 LYS 83 HZ2 LYS 83 0.019 -6.389 -20.158 721 HZ3 LYS 83 HZ3 LYS 83 -0.169 -4.725 -20.386 722 H ASN 84 H ASN 84 -3.497 -5.968 -12.618 723 HA ASN 84 HA ASN 84 -4.855 -3.904 -14.100 724 HB2 ASN 84 HB3 ASN 84 -6.489 -5.944 -13.329 725 HB3 ASN 84 HB2 ASN 84 -6.656 -4.814 -11.964 726 HD21 ASN 84 HD22 ASN 84 -7.047 -5.232 -15.413 727 HD22 ASN 84 HD21 ASN 84 -8.114 -3.891 -15.650 728 H ARG 85 H ARG 85 -5.090 -4.912 -10.671 729 HA ARG 85 HA ARG 85 -4.207 -2.181 -9.985 730 HB2 ARG 85 HB3 ARG 85 -5.619 -4.142 -8.171 731 HB3 ARG 85 HB2 ARG 85 -5.322 -2.410 -7.887 732 HG2 ARG 85 HG3 ARG 85 -7.120 -3.582 -10.025 733 HG3 ARG 85 HG2 ARG 85 -7.651 -2.843 -8.494 734 HD2 ARG 85 HD3 ARG 85 -7.307 -0.733 -9.241 735 HD3 ARG 85 HD2 ARG 85 -5.846 -1.182 -10.154 736 HE ARG 85 HE ARG 85 -7.453 -2.169 -11.823 737 HH11 ARG 85 HH11 ARG 85 -8.406 0.492 -9.750 738 HH12 ARG 85 HH12 ARG 85 -9.611 1.072 -10.858 739 HH21 ARG 85 HH22 ARG 85 -9.039 -1.412 -13.252 740 HH22 ARG 85 HH21 ARG 85 -9.988 -0.014 -12.824 741 H SER 86 H SER 86 -3.042 -1.990 -7.868 742 HA SER 86 HA SER 86 -0.892 -3.997 -7.790 743 HB2 SER 86 HB3 SER 86 0.259 -1.970 -6.551 744 HB3 SER 86 HB2 SER 86 0.154 -2.026 -8.327 745 HG SER 86 HG SER 86 -0.931 -0.247 -6.593 746 H ASP 87 H ASP 87 0.320 -3.702 -5.534 747 HA ASP 87 HA ASP 87 -0.997 -5.209 -3.684 748 HB2 ASP 87 HB3 ASP 87 0.727 -4.324 -2.014 749 HB3 ASP 87 HB2 ASP 87 1.290 -5.177 -3.472 750 H ASN 88 H ASN 88 -0.129 -1.949 -2.494 751 HA ASN 88 HA ASN 88 -2.036 -1.994 -0.466 752 HB2 ASN 88 HB3 ASN 88 -0.119 -0.095 -1.345 753 HB3 ASN 88 HB2 ASN 88 -1.671 0.751 -1.129 754 HD21 ASN 88 HD22 ASN 88 -1.258 1.849 0.805 755 HD22 ASN 88 HD21 ASN 88 -0.896 1.033 2.295 756 H ASN 89 H ASN 89 -2.511 -1.109 -3.794 757 HA ASN 89 HA ASN 89 -4.990 0.256 -3.384 758 HB2 ASN 89 HB3 ASN 89 -3.600 0.497 -5.442 759 HB3 ASN 89 HB2 ASN 89 -4.091 -1.148 -5.911 760 HD21 ASN 89 HD22 ASN 89 -5.183 2.137 -5.369 761 HD22 ASN 89 HD21 ASN 89 -6.662 2.001 -6.260 762 H ILE 90 H ILE 90 -4.202 -3.111 -4.293 763 HA ILE 90 HA ILE 90 -6.931 -3.957 -4.422 764 HB ILE 90 HB ILE 90 -4.360 -5.544 -4.043 765 HG12 ILE 90 HG12 ILE 90 -6.220 -5.254 -6.420 766 HG13 ILE 90 HG13 ILE 90 -4.664 -4.415 -6.219 767 HG21 ILE 90 HG21 ILE 90 -5.701 -7.555 -4.532 768 HG22 ILE 90 HG22 ILE 90 -7.182 -6.569 -4.512 769 HG23 ILE 90 HG23 ILE 90 -6.224 -6.767 -3.025 770 HD11 ILE 90 HD11 ILE 90 -3.498 -6.574 -6.225 771 HD12 ILE 90 HD12 ILE 90 -4.450 -6.341 -7.711 772 HD13 ILE 90 HD13 ILE 90 -5.055 -7.414 -6.426 773 H ARG 91 H ARG 91 -4.434 -4.017 -1.913 774 HA ARG 91 HA ARG 91 -5.820 -5.451 0.053 775 HB2 ARG 91 HB3 ARG 91 -3.529 -5.077 0.415 776 HB3 ARG 91 HB2 ARG 91 -3.692 -3.318 0.194 777 HG2 ARG 91 HG3 ARG 91 -3.279 -3.949 2.536 778 HG3 ARG 91 HG2 ARG 91 -4.839 -3.118 2.316 779 HD2 ARG 91 HD3 ARG 91 -5.651 -5.674 2.036 780 HD3 ARG 91 HD2 ARG 91 -4.255 -5.925 3.111 781 HE ARG 91 HE ARG 91 -6.539 -4.147 3.728 782 HH11 ARG 91 HH11 ARG 91 -4.037 -6.385 4.702 783 HH12 ARG 91 HH12 ARG 91 -4.404 -6.256 6.397 784 HH21 ARG 91 HH22 ARG 91 -7.038 -3.993 5.977 785 HH22 ARG 91 HH21 ARG 91 -6.093 -4.909 7.115 786 H ASN 92 H ASN 92 -5.719 -1.937 -0.527 787 HA ASN 92 HA ASN 92 -7.465 -1.184 1.560 788 HB2 ASN 92 HB3 ASN 92 -6.481 0.059 -0.966 789 HB3 ASN 92 HB2 ASN 92 -7.973 0.732 -0.266 790 HD21 ASN 92 HD22 ASN 92 -7.266 2.631 0.481 791 HD22 ASN 92 HD21 ASN 92 -6.020 2.835 1.659 792 H ARG 93 H ARG 93 -8.068 -1.904 -1.859 793 HA ARG 93 HA ARG 93 -10.851 -1.443 -1.797 794 HB2 ARG 93 HB3 ARG 93 -8.989 -1.976 -3.750 795 HB3 ARG 93 HB2 ARG 93 -10.003 -3.440 -3.753 796 HG2 ARG 93 HG3 ARG 93 -10.754 -1.687 -5.353 797 HG3 ARG 93 HG2 ARG 93 -11.987 -2.139 -4.151 798 HD2 ARG 93 HD3 ARG 93 -11.862 0.308 -4.522 799 HD3 ARG 93 HD2 ARG 93 -11.497 -0.154 -2.842 800 HE ARG 93 HE ARG 93 -9.122 0.045 -4.403 801 HH11 ARG 93 HH11 ARG 93 -11.527 1.976 -2.734 802 HH12 ARG 93 HH12 ARG 93 -10.462 3.324 -2.497 803 HH21 ARG 93 HH22 ARG 93 -7.709 1.801 -4.059 804 HH22 ARG 93 HH21 ARG 93 -8.277 3.224 -3.235 805 H TRP 94 H TRP 94 -8.979 -4.416 -1.270 806 HA TRP 94 HA TRP 94 -11.162 -6.206 -1.238 807 HB2 TRP 94 HB3 TRP 94 -8.880 -7.005 -1.382 808 HB3 TRP 94 HB2 TRP 94 -8.507 -6.330 0.222 809 HD1 TRP 94 HD1 TRP 94 -8.546 -8.067 2.110 810 HE1 TRP 94 HE1 TRP 94 -9.673 -10.341 2.506 811 HE3 TRP 94 HE3 TRP 94 -11.316 -8.371 -2.194 812 HZ2 TRP 94 HZ2 TRP 94 -11.488 -12.052 1.200 813 HZ3 TRP 94 HZ3 TRP 94 -12.731 -10.369 -2.550 814 HH2 TRP 94 HH2 TRP 94 -12.816 -12.178 -0.875 815 H MET 95 H MET 95 -9.593 -4.411 1.394 816 HA MET 95 HA MET 95 -11.269 -5.406 3.468 817 HB2 MET 95 HB3 MET 95 -9.030 -4.298 3.759 818 HB3 MET 95 HB2 MET 95 -9.820 -2.745 3.394 819 HG2 MET 95 HG3 MET 95 -11.151 -2.867 5.363 820 HG3 MET 95 HG2 MET 95 -10.654 -4.549 5.668 821 HE1 MET 95 HE1 MET 95 -9.013 -2.460 8.610 822 HE2 MET 95 HE2 MET 95 -10.129 -3.784 8.203 823 HE3 MET 95 HE3 MET 95 -10.560 -2.104 7.807 824 H MET 96 H MET 96 -11.549 -2.778 1.190 825 HA MET 96 HA MET 96 -13.764 -1.469 2.460 826 HB2 MET 96 HB3 MET 96 -12.350 -0.197 1.013 827 HB3 MET 96 HB2 MET 96 -12.573 -1.353 -0.322 828 HG2 MET 96 HG3 MET 96 -15.109 -0.642 -0.033 829 HG3 MET 96 HG2 MET 96 -14.363 0.821 0.656 830 HE1 MET 96 HE1 MET 96 -15.336 1.978 -2.964 831 HE2 MET 96 HE2 MET 96 -15.472 2.315 -1.222 832 HE3 MET 96 HE3 MET 96 -16.243 0.866 -1.911 833 H ILE 97 H ILE 97 -13.457 -3.632 -0.372 834 HA ILE 97 HA ILE 97 -16.269 -3.708 -0.835 835 HB ILE 97 HB ILE 97 -14.407 -4.155 -2.543 836 HG12 ILE 97 HG12 ILE 97 -15.874 -5.708 -3.831 837 HG13 ILE 97 HG13 ILE 97 -16.871 -5.901 -2.369 838 HG21 ILE 97 HG21 ILE 97 -13.832 -6.519 -2.899 839 HG22 ILE 97 HG22 ILE 97 -14.658 -6.943 -1.381 840 HG23 ILE 97 HG23 ILE 97 -13.212 -5.906 -1.347 841 HD11 ILE 97 HD11 ILE 97 -17.370 -3.499 -2.393 842 HD12 ILE 97 HD12 ILE 97 -17.860 -4.283 -3.914 843 HD13 ILE 97 HD13 ILE 97 -16.373 -3.306 -3.855 844 H ALA 98 H ALA 98 -14.117 -5.673 1.117 845 HA ALA 98 HA ALA 98 -15.800 -7.915 1.461 846 HB1 ALA 98 HB1 ALA 98 -14.500 -8.356 3.504 847 HB2 ALA 98 HB2 ALA 98 -13.781 -6.732 3.393 848 HB3 ALA 98 HB3 ALA 98 -13.449 -7.941 2.130 849 H ARG 99 H ARG 99 -15.631 -4.810 3.132 850 HA ARG 99 HA ARG 99 -17.474 -5.406 5.207 851 HB2 ARG 99 HB3 ARG 99 -15.841 -3.472 5.094 852 HB3 ARG 99 HB2 ARG 99 -16.970 -2.691 3.961 853 HG2 ARG 99 HG3 ARG 99 -18.648 -2.493 5.622 854 HG3 ARG 99 HG2 ARG 99 -17.777 -3.578 6.733 855 HD2 ARG 99 HD3 ARG 99 -17.514 -1.262 7.438 856 HD3 ARG 99 HD2 ARG 99 -15.953 -1.924 6.895 857 HE ARG 99 HE ARG 99 -16.849 -0.737 4.666 858 HH11 ARG 99 HH11 ARG 99 -16.656 0.404 7.973 859 HH12 ARG 99 HH12 ARG 99 -16.466 2.067 7.522 860 HH21 ARG 99 HH22 ARG 99 -16.601 1.448 4.068 861 HH22 ARG 99 HH21 ARG 99 -16.441 2.663 5.296 862 H HIS 100 H HIS 100 -17.838 -4.554 1.869 863 HA HIS 100 HA HIS 100 -20.670 -3.883 2.102 864 HB2 HIS 100 HB3 HIS 100 -19.333 -2.672 0.475 865 HB3 HIS 100 HB2 HIS 100 -18.817 -4.196 -0.286 866 HD1 HIS 100 HD1 HIS 100 -20.127 -4.876 -2.272 867 HD2 HIS 100 HD2 HIS 100 -22.287 -2.283 0.171 868 HE1 HIS 100 HE1 HIS 100 -22.264 -4.405 -3.520 869 HE2 HIS 100 HE2 HIS 100 -23.497 -2.744 -2.076 870 H ARG 101 H ARG 101 -18.610 -6.556 1.175 871 HA ARG 101 HA ARG 101 -20.666 -8.183 0.010 872 HB2 ARG 101 HB3 ARG 101 -18.368 -8.526 -0.619 873 HB3 ARG 101 HB2 ARG 101 -17.900 -8.817 1.074 874 HG2 ARG 101 HG3 ARG 101 -17.991 -10.971 0.385 875 HG3 ARG 101 HG2 ARG 101 -19.710 -10.770 0.803 876 HD2 ARG 101 HD3 ARG 101 -18.539 -10.370 -1.964 877 HD3 ARG 101 HD2 ARG 101 -19.339 -11.858 -1.402 878 HE ARG 101 HE ARG 101 -20.635 -9.249 -1.852 879 HH11 ARG 101 HH11 ARG 101 -20.830 -12.688 -1.282 880 HH12 ARG 101 HH12 ARG 101 -22.536 -12.776 -1.588 881 HH21 ARG 101 HH22 ARG 101 -22.874 -9.338 -2.238 882 HH22 ARG 101 HH21 ARG 101 -23.705 -10.858 -2.144 883 H ALA 102 H ALA 102 -19.260 -7.859 3.226 884 HA ALA 102 HA ALA 102 -20.683 -10.123 4.313 885 HB1 ALA 102 HB1 ALA 102 -19.782 -9.360 6.478 886 HB2 ALA 102 HB2 ALA 102 -19.166 -7.886 5.693 887 HB3 ALA 102 HB3 ALA 102 -18.517 -9.478 5.232 888 H LYS 103 H LYS 103 -21.810 -7.277 3.274 889 HA LYS 103 HA LYS 103 -23.598 -5.923 3.687 890 HB2 LYS 103 HB3 LYS 103 -24.628 -8.431 5.035 891 HB3 LYS 103 HB2 LYS 103 -25.609 -7.052 4.481 892 HG2 LYS 103 HG3 LYS 103 -23.879 -8.583 2.558 893 HG3 LYS 103 HG2 LYS 103 -25.486 -9.188 3.027 894 HD2 LYS 103 HD3 LYS 103 -26.331 -6.831 2.402 895 HD3 LYS 103 HD2 LYS 103 -24.768 -6.643 1.572 896 HE2 LYS 103 HE3 LYS 103 -26.368 -7.423 -0.038 897 HE3 LYS 103 HE2 LYS 103 -25.259 -8.766 0.329 898 HZ1 LYS 103 HZ1 LYS 103 -27.380 -9.702 0.355 899 HZ2 LYS 103 HZ2 LYS 103 -28.068 -8.410 1.195 900 HZ3 LYS 103 HZ3 LYS 103 -27.034 -9.477 1.993 901 H HIS 104 H HIS 104 -25.393 -6.467 6.071 902 HA HIS 104 HA HIS 104 -23.865 -5.872 8.414 903 HB2 HIS 104 HB3 HIS 104 -25.150 -3.590 8.680 904 HB3 HIS 104 HB2 HIS 104 -23.581 -3.677 7.842 905 HD1 HIS 104 HD1 HIS 104 -27.298 -3.699 6.905 906 HD2 HIS 104 HD2 HIS 104 -23.595 -2.505 5.407 907 HE1 HIS 104 HE1 HIS 104 -27.798 -2.502 4.742 908 HE2 HIS 104 HE2 HIS 104 -25.539 -1.832 3.837 909 H GLN 105 H GLN 105 -24.956 -6.651 10.053 910 HA GLN 105 HA GLN 105 -27.728 -7.448 9.735 911 HB2 GLN 105 HB3 GLN 105 -25.976 -7.626 12.206 912 HB3 GLN 105 HB2 GLN 105 -27.472 -8.531 11.869 913 HG2 GLN 105 HG3 GLN 105 -26.226 -9.530 9.882 914 HG3 GLN 105 HG2 GLN 105 -24.750 -8.855 10.615 915 HE21 GLN 105 HE22 GLN 105 -25.756 -9.303 13.341 916 HE22 GLN 105 HE21 GLN 105 -25.601 -11.000 13.626 917 H LYS 106 H LYS 106 -29.461 -6.674 10.985 918 HA LYS 106 HA LYS 106 -29.140 -4.589 12.922 919 HB2 LYS 106 HB3 LYS 106 -28.800 -3.458 10.640 920 HB3 LYS 106 HB2 LYS 106 -30.530 -3.776 10.364 921 HG2 LYS 106 HG3 LYS 106 -31.070 -2.471 12.386 922 HG3 LYS 106 HG2 LYS 106 -29.338 -2.116 12.599 923 HD2 LYS 106 HD3 LYS 106 -29.393 -1.154 10.237 924 HD3 LYS 106 HD2 LYS 106 -31.167 -1.252 10.347 925 HE2 LYS 106 HE3 LYS 106 -29.323 0.290 12.197 926 HE3 LYS 106 HE2 LYS 106 -30.397 0.979 10.956 927 HZ1 LYS 106 HZ1 LYS 106 -31.448 1.180 13.067 928 HZ2 LYS 106 HZ2 LYS 106 -31.210 -0.451 13.432 929 HZ3 LYS 106 HZ3 LYS 106 -32.283 -0.011 12.205 930 H SER 107 H SER 107 -31.339 -6.110 10.569 931 HA SER 107 HA SER 107 -33.205 -6.707 12.735 932 HB2 SER 107 HB3 SER 107 -34.083 -5.156 10.272 933 HB3 SER 107 HB2 SER 107 -35.137 -5.755 11.576 934 HG SER 107 HG SER 107 -33.281 -4.389 12.795 935 H5' DA 1 H5' DA 1 -21.750 18.456 11.934 936 H5'' DA 1 H5'' DA 1 -21.666 18.016 13.648 937 H4' DA 1 H4' DA 1 -22.623 16.168 12.660 938 H3' DA 1 H3' DA 1 -20.351 15.626 13.914 939 H2' DA 1 H2' DA 1 -18.788 15.904 12.142 940 H2'' DA 1 H2'' DA 1 -19.136 14.200 11.924 941 H1' DA 1 H1' DA 1 -20.538 14.552 10.087 942 H8 DA 1 H8 DA 1 -18.450 17.653 11.007 943 H61 DA 1 H61 DA 1 -17.017 18.809 6.532 944 H62 DA 1 H62 DA 1 -17.388 18.186 4.938 945 H2 DA 1 H2 DA 1 -20.319 14.833 5.552 946 HO5' DA 1 HO5' DA 1 -19.468 17.376 13.241 947 H5' DA 2 H5' DA 2 -21.996 13.236 9.994 948 H5'' DA 2 H5'' DA 2 -22.638 12.072 11.171 949 H4' DA 2 H4' DA 2 -22.563 10.835 9.234 950 H3' DA 2 H3' DA 2 -20.981 9.872 11.148 951 H2' DA 2 H2' DA 2 -18.914 10.908 10.601 952 H2'' DA 2 H2'' DA 2 -18.752 9.483 9.592 953 H1' DA 2 H1' DA 2 -19.283 10.591 7.627 954 H8 DA 2 H8 DA 2 -18.356 12.905 10.555 955 H61 DA 2 H61 DA 2 -15.484 15.917 8.064 956 H62 DA 2 H62 DA 2 -15.103 16.109 6.369 957 H2 DA 2 H2 DA 2 -17.483 12.958 4.198 958 H5' DG 3 H5' DG 3 -20.445 9.600 6.467 959 H5'' DG 3 H5'' DG 3 -21.290 8.050 6.631 960 H4' DG 3 H4' DG 3 -20.416 7.914 4.513 961 H3' DG 3 H3' DG 3 -19.482 6.036 6.143 962 H2' DG 3 H2' DG 3 -17.515 7.109 6.971 963 H2'' DG 3 H2'' DG 3 -16.820 6.323 5.563 964 H1' DG 3 H1' DG 3 -16.784 8.257 4.276 965 H8 DG 3 H8 DG 3 -17.234 8.894 8.042 966 H1 DG 3 H1 DG 3 -13.268 12.889 4.964 967 H21 DG 3 H21 DG 3 -14.424 11.327 2.098 968 H22 DG 3 H22 DG 3 -13.385 12.552 2.783 969 H5' DA 4 H5' DA 4 -17.151 7.855 2.382 970 H5'' DA 4 H5'' DA 4 -17.867 6.468 1.539 971 H4' DA 4 H4' DA 4 -16.246 7.137 0.063 972 H3' DA 4 H3' DA 4 -15.797 4.685 0.990 973 H2' DA 4 H2' DA 4 -14.425 5.166 2.882 974 H2'' DA 4 H2'' DA 4 -13.160 5.034 1.672 975 H1' DA 4 H1' DA 4 -12.847 7.313 1.475 976 H8 DA 4 H8 DA 4 -14.850 6.297 4.607 977 H61 DA 4 H61 DA 4 -12.500 9.140 7.763 978 H62 DA 4 H62 DA 4 -11.293 10.397 7.594 979 H2 DA 4 H2 DA 4 -10.471 10.770 3.187 980 H5' DT 5 H5' DT 5 -12.555 7.558 -0.528 981 H5'' DT 5 H5'' DT 5 -12.629 6.772 -2.118 982 H4' DT 5 H4' DT 5 -10.724 7.993 -2.341 983 H3' DT 5 H3' DT 5 -10.206 5.372 -2.346 984 H2' DT 5 H2' DT 5 -9.646 5.009 -0.062 985 H2'' DT 5 H2'' DT 5 -8.054 5.474 -0.641 986 H1' DT 5 H1' DT 5 -8.170 7.630 0.216 987 H3 DT 5 H3 DT 5 -8.659 8.064 4.615 988 H71 DT 5 H71 DT 5 -12.528 5.146 4.262 989 H72 DT 5 H72 DT 5 -11.161 4.053 4.585 990 H73 DT 5 H73 DT 5 -11.917 4.081 2.975 991 H6 DT 5 H6 DT 5 -10.874 5.379 1.353 992 H5' DA 6 H5' DA 6 -7.005 8.538 -1.044 993 H5'' DA 6 H5'' DA 6 -6.410 8.524 -2.716 994 H4' DA 6 H4' DA 6 -4.668 9.483 -1.584 995 H3' DA 6 H3' DA 6 -4.084 7.136 -2.737 996 H2' DA 6 H2' DA 6 -4.229 5.637 -0.927 997 H2'' DA 6 H2'' DA 6 -2.590 6.185 -0.614 998 H1' DA 6 H1' DA 6 -3.182 7.557 1.132 999 H8 DA 6 H8 DA 6 -5.880 5.013 0.160 1000 H61 DA 6 H61 DA 6 -7.325 3.920 4.672 1001 H62 DA 6 H62 DA 6 -6.952 4.590 6.248 1002 H2 DA 6 H2 DA 6 -4.060 7.950 5.567 1003 H5' DA 7 H5' DA 7 -1.923 8.792 0.988 1004 H5'' DA 7 H5'' DA 7 -0.977 9.702 -0.201 1005 H4' DA 7 H4' DA 7 0.256 10.005 1.693 1006 H3' DA 7 H3' DA 7 1.591 8.591 -0.141 1007 H2' DA 7 H2' DA 7 1.215 6.369 0.558 1008 H2'' DA 7 H2'' DA 7 2.561 6.707 1.636 1009 H1' DA 7 H1' DA 7 1.251 6.952 3.501 1010 H8 DA 7 H8 DA 7 -0.290 5.091 0.572 1011 H61 DA 7 H61 DA 7 -3.138 2.072 3.122 1012 H62 DA 7 H62 DA 7 -3.588 1.997 4.815 1013 H2 DA 7 H2 DA 7 -1.520 5.404 6.864 1014 H5' DC 8 H5' DC 8 2.653 9.187 4.460 1015 H5'' DC 8 H5'' DC 8 4.188 10.029 4.168 1016 H4' DC 8 H4' DC 8 4.294 9.300 6.381 1017 H3' DC 8 H3' DC 8 6.271 8.466 4.765 1018 H2' DC 8 H2' DC 8 5.538 6.295 4.181 1019 H2'' DC 8 H2'' DC 8 6.276 5.865 5.712 1020 H1' DC 8 H1' DC 8 4.282 5.700 6.849 1021 H41 DC 8 H41 DC 8 1.115 2.735 1.910 1022 H42 DC 8 H42 DC 8 0.447 2.027 3.383 1023 H5 DC 8 H5 DC 8 2.694 4.493 1.842 1024 H6 DC 8 H6 DC 8 4.026 6.024 3.188 1025 H5' DG 9 H5' DG 9 4.998 6.636 9.238 1026 H5'' DG 9 H5'' DG 9 6.506 7.407 9.774 1027 H4' DG 9 H4' DG 9 6.006 5.830 11.414 1028 H3' DG 9 H3' DG 9 8.396 5.575 10.238 1029 H2' DG 9 H2' DG 9 8.003 3.913 8.616 1030 H2'' DG 9 H2'' DG 9 8.234 2.818 9.969 1031 H1' DG 9 H1' DG 9 6.005 2.337 10.197 1032 H8 DG 9 H8 DG 9 6.605 4.448 7.033 1033 H1 DG 9 H1 DG 9 2.611 -0.528 6.332 1034 H21 DG 9 H21 DG 9 3.028 -0.927 9.761 1035 H22 DG 9 H22 DG 9 2.262 -1.507 8.299 1036 H5' DA 10 H5' DA 10 5.803 2.349 12.029 1037 H5'' DA 10 H5'' DA 10 6.584 2.665 13.590 1038 H4' DA 10 H4' DA 10 5.470 0.704 13.998 1039 H3' DA 10 H3' DA 10 8.118 0.443 14.176 1040 H2' DA 10 H2' DA 10 8.694 -0.369 12.034 1041 H2'' DA 10 H2'' DA 10 8.262 -1.918 12.745 1042 H1' DA 10 H1' DA 10 6.241 -2.060 11.667 1043 H8 DA 10 H8 DA 10 8.349 0.867 10.245 1044 H61 DA 10 H61 DA 10 7.591 -0.137 5.540 1045 H62 DA 10 H62 DA 10 6.581 -1.294 4.706 1046 H2 DA 10 H2 DA 10 4.461 -3.657 7.886 1047 H5' DT 11 H5' DT 11 5.111 -3.087 13.521 1048 H5'' DT 11 H5'' DT 11 5.242 -3.541 15.232 1049 H4' DT 11 H4' DT 11 4.277 -5.397 14.265 1050 H3' DT 11 H3' DT 11 6.656 -5.839 15.409 1051 H2' DT 11 H2' DT 11 8.106 -5.716 13.539 1052 H2'' DT 11 H2'' DT 11 7.666 -7.407 13.388 1053 H1' DT 11 H1' DT 11 6.166 -7.052 11.653 1054 H3 DT 11 H3 DT 11 7.607 -5.190 7.878 1055 H71 DT 11 H71 DT 11 10.039 -2.677 12.003 1056 H72 DT 11 H72 DT 11 10.912 -2.969 10.481 1057 H73 DT 11 H73 DT 11 9.641 -1.724 10.555 1058 H6 DT 11 H6 DT 11 8.344 -4.189 12.486 1059 H5' DA 12 H5' DA 12 4.761 -8.745 12.066 1060 H5'' DA 12 H5'' DA 12 4.299 -9.874 13.356 1061 H4' DA 12 H4' DA 12 4.277 -11.176 11.441 1062 H3' DA 12 H3' DA 12 5.956 -12.049 13.305 1063 H2' DA 12 H2' DA 12 7.969 -10.962 12.666 1064 H2'' DA 12 H2'' DA 12 8.140 -12.414 11.695 1065 H1' DA 12 H1' DA 12 7.532 -11.362 9.713 1066 H8 DA 12 H8 DA 12 8.402 -8.923 12.554 1067 H61 DA 12 H61 DA 12 11.040 -5.831 9.903 1068 H62 DA 12 H62 DA 12 11.370 -5.688 8.194 1069 H2 DA 12 H2 DA 12 9.135 -9.027 6.180 1070 H5' DT 13 H5' DT 13 6.647 -12.689 8.872 1071 H5'' DT 13 H5'' DT 13 5.756 -14.217 8.961 1072 H4' DT 13 H4' DT 13 6.711 -14.512 6.944 1073 H3' DT 13 H3' DT 13 7.882 -16.168 8.656 1074 H2' DT 13 H2' DT 13 9.673 -14.780 9.427 1075 H2'' DT 13 H2'' DT 13 10.483 -15.570 8.087 1076 H1' DT 13 H1' DT 13 10.269 -13.754 6.649 1077 H3 DT 13 H3 DT 13 12.266 -9.948 7.803 1078 H71 DT 13 H71 DT 13 10.205 -10.493 12.191 1079 H72 DT 13 H72 DT 13 11.809 -11.253 12.295 1080 H73 DT 13 H73 DT 13 10.345 -12.264 12.282 1081 H6 DT 13 H6 DT 13 9.633 -13.106 10.224 1082 H5' DT 14 H5' DT 14 9.877 -14.455 4.903 1083 H5'' DT 14 H5'' DT 14 9.256 -15.896 4.074 1084 H4' DT 14 H4' DT 14 10.626 -15.044 2.468 1085 H3' DT 14 H3' DT 14 11.555 -17.373 3.361 1086 H2' DT 14 H2' DT 14 13.053 -16.679 5.065 1087 H2'' DT 14 H2'' DT 14 14.167 -16.584 3.710 1088 H1' DT 14 H1' DT 14 14.063 -14.284 3.556 1089 H3 DT 14 H3 DT 14 15.198 -11.795 7.045 1090 H71 DT 14 H71 DT 14 13.588 -15.212 9.868 1091 H72 DT 14 H72 DT 14 12.021 -14.398 9.648 1092 H73 DT 14 H73 DT 14 12.321 -15.977 8.883 1093 H6 DT 14 H6 DT 14 12.395 -15.630 6.577 1094 H5' DT 15 H5' DT 15 14.295 -14.076 1.746 1095 H5'' DT 15 H5'' DT 15 14.066 -14.772 0.131 1096 H4' DT 15 H4' DT 15 15.833 -13.443 -0.305 1097 H3' DT 15 H3' DT 15 16.610 -15.980 -0.390 1098 H2' DT 15 H2' DT 15 17.368 -16.305 1.835 1099 H2'' DT 15 H2'' DT 15 18.868 -15.726 1.135 1100 H1' DT 15 H1' DT 15 18.665 -13.590 2.030 1101 H3 DT 15 H3 DT 15 18.366 -13.148 6.455 1102 H71 DT 15 H71 DT 15 15.500 -17.495 5.012 1103 H72 DT 15 H72 DT 15 16.358 -17.422 6.569 1104 H73 DT 15 H73 DT 15 14.860 -16.493 6.336 1105 H6 DT 15 H6 DT 15 16.299 -16.101 3.329 1106 H5' DA 16 H5' DA 16 19.528 -12.345 0.648 1107 H5'' DA 16 H5'' DA 16 20.056 -12.370 -1.047 1108 H4' DA 16 H4' DA 16 21.749 -11.209 -0.029 1109 H3' DA 16 H3' DA 16 22.590 -13.490 -1.104 1110 HO3' DA 16 HO3' DA 16 23.855 -11.447 0.292 1111 H2' DA 16 H2' DA 16 22.432 -14.969 0.752 1112 H2'' DA 16 H2'' DA 16 24.066 -14.374 1.021 1113 H1' DA 16 H1' DA 16 23.433 -12.935 2.742 1114 H8 DA 16 H8 DA 16 20.733 -15.539 1.863 1115 H61 DA 16 H61 DA 16 19.555 -16.755 6.423 1116 H62 DA 16 H62 DA 16 20.018 -16.132 7.986 1117 H2 DA 16 H2 DA 16 22.844 -12.721 7.230 1118 H5' DT 17 H5' DT 17 24.076 -15.309 14.936 1119 H5'' DT 17 H5'' DT 17 24.080 -14.589 16.556 1120 H4' DT 17 H4' DT 17 24.937 -12.881 15.322 1121 H3' DT 17 H3' DT 17 22.563 -12.229 16.335 1122 H2' DT 17 H2' DT 17 21.127 -12.848 14.539 1123 H2'' DT 17 H2'' DT 17 21.464 -11.196 14.054 1124 H1' DT 17 H1' DT 17 23.010 -11.809 12.415 1125 H3 DT 17 H3 DT 17 21.487 -14.371 9.096 1126 H71 DT 17 H71 DT 17 19.476 -17.358 11.927 1127 H72 DT 17 H72 DT 17 20.209 -17.009 13.510 1128 H73 DT 17 H73 DT 17 18.738 -16.147 13.000 1129 H6 DT 17 H6 DT 17 21.144 -14.666 13.845 1130 HO5' DT 17 HO5' DT 17 21.839 -13.901 15.917 1131 H5' DA 18 H5' DA 18 24.317 -10.127 12.139 1132 H5'' DA 18 H5'' DA 18 24.801 -8.840 13.261 1133 H4' DA 18 H4' DA 18 24.701 -7.754 11.231 1134 H3' DA 18 H3' DA 18 23.004 -6.760 13.022 1135 H2' DA 18 H2' DA 18 21.036 -7.986 12.532 1136 H2'' DA 18 H2'' DA 18 20.794 -6.668 11.400 1137 H1' DA 18 H1' DA 18 21.434 -7.910 9.548 1138 H8 DA 18 H8 DA 18 20.616 -9.996 12.667 1139 H61 DA 18 H61 DA 18 18.157 -13.530 10.413 1140 H62 DA 18 H62 DA 18 17.879 -13.919 8.738 1141 H2 DA 18 H2 DA 18 20.038 -10.794 6.326 1142 H5' DA 19 H5' DA 19 22.481 -6.919 8.415 1143 H5'' DA 19 H5'' DA 19 23.263 -5.329 8.387 1144 H4' DA 19 H4' DA 19 22.414 -5.408 6.283 1145 H3' DA 19 H3' DA 19 21.213 -3.517 7.699 1146 H2' DA 19 H2' DA 19 19.356 -4.724 8.570 1147 H2'' DA 19 H2'' DA 19 18.626 -4.162 7.078 1148 H1' DA 19 H1' DA 19 18.835 -6.206 5.996 1149 H8 DA 19 H8 DA 19 19.324 -6.425 9.812 1150 H61 DA 19 H61 DA 19 16.456 -10.273 10.556 1151 H62 DA 19 H62 DA 19 15.619 -11.377 9.489 1152 H2 DA 19 H2 DA 19 16.550 -10.049 5.299 1153 H5' DA 20 H5' DA 20 19.412 -5.971 4.098 1154 H5'' DA 20 H5'' DA 20 19.982 -4.615 3.105 1155 H4' DA 20 H4' DA 20 18.593 -5.746 1.662 1156 H3' DA 20 H3' DA 20 17.762 -3.267 2.143 1157 H2' DA 20 H2' DA 20 16.284 -3.623 3.978 1158 H2'' DA 20 H2'' DA 20 15.133 -3.884 2.675 1159 H1' DA 20 H1' DA 20 15.142 -6.181 2.873 1160 H8 DA 20 H8 DA 20 16.819 -4.475 5.912 1161 H61 DA 20 H61 DA 20 14.512 -7.045 9.348 1162 H62 DA 20 H62 DA 20 13.427 -8.412 9.301 1163 H2 DA 20 H2 DA 20 12.914 -9.480 4.963 1164 H5' DT 21 H5' DT 21 15.036 -6.748 0.877 1165 H5'' DT 21 H5'' DT 21 15.098 -6.215 -0.815 1166 H4' DT 21 H4' DT 21 13.361 -7.692 -0.883 1167 H3' DT 21 H3' DT 21 12.533 -5.196 -1.367 1168 H2' DT 21 H2' DT 21 11.853 -4.537 0.816 1169 H2'' DT 21 H2'' DT 21 10.341 -5.236 0.260 1170 H1' DT 21 H1' DT 21 10.640 -7.239 1.437 1171 H3 DT 21 H3 DT 21 10.805 -6.871 5.872 1172 H71 DT 21 H71 DT 21 13.070 -2.809 5.466 1173 H72 DT 21 H72 DT 21 14.528 -3.756 5.100 1174 H73 DT 21 H73 DT 21 13.717 -2.840 3.809 1175 H6 DT 21 H6 DT 21 13.027 -4.558 2.341 1176 H5' DA 22 H5' DA 22 9.140 -8.595 -0.131 1177 H5'' DA 22 H5'' DA 22 8.668 -8.583 -1.840 1178 H4' DA 22 H4' DA 22 6.781 -9.373 -0.763 1179 H3' DA 22 H3' DA 22 6.406 -7.086 -2.108 1180 H2' DA 22 H2' DA 22 6.623 -5.462 -0.413 1181 H2'' DA 22 H2'' DA 22 4.934 -5.847 -0.128 1182 H1' DA 22 H1' DA 22 5.347 -7.112 1.746 1183 H8 DA 22 H8 DA 22 8.386 -5.002 0.675 1184 H61 DA 22 H61 DA 22 9.639 -3.515 5.127 1185 H62 DA 22 H62 DA 22 9.083 -3.916 6.734 1186 H2 DA 22 H2 DA 22 5.839 -6.992 6.217 1187 H5' DT 23 H5' DT 23 4.166 -8.390 1.504 1188 H5'' DT 23 H5'' DT 23 2.981 -9.237 0.495 1189 H4' DT 23 H4' DT 23 1.916 -9.276 2.492 1190 H3' DT 23 H3' DT 23 0.632 -7.675 0.768 1191 H2' DT 23 H2' DT 23 1.399 -5.535 1.385 1192 H2'' DT 23 H2'' DT 23 0.154 -5.668 2.616 1193 H1' DT 23 H1' DT 23 1.622 -6.110 4.318 1194 H3 DT 23 H3 DT 23 4.919 -3.263 5.180 1195 H71 DT 23 H71 DT 23 4.568 -3.792 -0.188 1196 H72 DT 23 H72 DT 23 6.156 -3.455 0.541 1197 H73 DT 23 H73 DT 23 4.893 -2.201 0.537 1198 H6 DT 23 H6 DT 23 3.271 -5.192 1.138 1199 H5' DC 24 H5' DC 24 0.663 -7.413 4.938 1200 H5'' DC 24 H5'' DC 24 -0.643 -8.562 5.276 1201 H4' DC 24 H4' DC 24 -0.267 -7.729 7.362 1202 H3' DC 24 H3' DC 24 -2.654 -6.988 6.380 1203 H2' DC 24 H2' DC 24 -2.226 -4.798 5.613 1204 H2'' DC 24 H2'' DC 24 -2.503 -4.388 7.299 1205 H1' DC 24 H1' DC 24 -0.259 -4.130 7.791 1206 H41 DC 24 H41 DC 24 1.281 -1.096 2.096 1207 H42 DC 24 H42 DC 24 2.178 -0.300 3.373 1208 H5 DC 24 H5 DC 24 -0.120 -3.044 2.494 1209 H6 DC 24 H6 DC 24 -0.942 -4.602 4.180 1210 H5' DG 25 H5' DG 25 -0.729 -3.920 9.777 1211 H5'' DG 25 H5'' DG 25 -1.594 -5.006 10.883 1212 H4' DG 25 H4' DG 25 -1.687 -3.071 12.067 1213 H3' DG 25 H3' DG 25 -4.102 -3.790 11.198 1214 H2' DG 25 H2' DG 25 -4.293 -2.554 9.197 1215 H2'' DG 25 H2'' DG 25 -4.853 -1.294 10.286 1216 H1' DG 25 H1' DG 25 -2.885 -0.111 10.245 1217 H8 DG 25 H8 DG 25 -3.678 -2.372 7.368 1218 H1 DG 25 H1 DG 25 0.556 2.248 5.958 1219 H21 DG 25 H21 DG 25 0.713 2.684 9.394 1220 H22 DG 25 H22 DG 25 1.292 3.195 7.825 1221 H5' DT 26 H5' DT 26 -2.660 0.311 12.329 1222 H5'' DT 26 H5'' DT 26 -3.231 -0.034 13.973 1223 H4' DT 26 H4' DT 26 -2.732 2.144 14.228 1224 H3' DT 26 H3' DT 26 -5.384 1.879 14.273 1225 H2' DT 26 H2' DT 26 -5.981 2.335 12.032 1226 H2'' DT 26 H2'' DT 26 -5.890 4.005 12.569 1227 H1' DT 26 H1' DT 26 -3.891 4.425 11.532 1228 H3 DT 26 H3 DT 26 -3.101 3.422 7.216 1229 H71 DT 26 H71 DT 26 -5.323 -0.759 7.927 1230 H72 DT 26 H72 DT 26 -6.704 0.320 7.625 1231 H73 DT 26 H73 DT 26 -6.417 -0.324 9.260 1232 H6 DT 26 H6 DT 26 -5.483 1.218 10.713 1233 H5' DT 27 H5' DT 27 -3.197 5.520 13.211 1234 H5'' DT 27 H5'' DT 27 -3.187 6.143 14.874 1235 H4' DT 27 H4' DT 27 -2.375 7.944 13.765 1236 H3' DT 27 H3' DT 27 -4.790 8.469 14.755 1237 H2' DT 27 H2' DT 27 -6.180 7.971 12.899 1238 H2'' DT 27 H2'' DT 27 -5.829 9.644 12.505 1239 H1' DT 27 H1' DT 27 -4.277 9.112 10.857 1240 H3 DT 27 H3 DT 27 -5.478 6.550 7.418 1241 H71 DT 27 H71 DT 27 -8.655 4.506 10.288 1242 H72 DT 27 H72 DT 27 -7.824 4.560 11.860 1243 H73 DT 27 H73 DT 27 -7.288 3.413 10.609 1244 H6 DT 27 H6 DT 27 -6.269 6.269 12.113 1245 H5' DA 28 H5' DA 28 -3.008 10.382 10.992 1246 H5'' DA 28 H5'' DA 28 -2.325 11.637 12.040 1247 H4' DA 28 H4' DA 28 -2.054 12.587 9.994 1248 H3' DA 28 H3' DA 28 -3.759 13.970 11.478 1249 H2' DA 28 H2' DA 28 -5.835 13.024 10.828 1250 H2'' DA 28 H2'' DA 28 -5.725 14.268 9.591 1251 H1' DA 28 H1' DA 28 -5.114 12.780 7.916 1252 H8 DA 28 H8 DA 28 -6.414 10.970 11.065 1253 H61 DA 28 H61 DA 28 -9.216 7.738 8.783 1254 H62 DA 28 H62 DA 28 -9.476 7.337 7.097 1255 H2 DA 28 H2 DA 28 -6.829 10.081 4.719 1256 H5' DT 29 H5' DT 29 -4.081 13.904 6.963 1257 H5'' DT 29 H5'' DT 29 -3.008 15.308 6.835 1258 H4' DT 29 H4' DT 29 -3.872 15.382 4.760 1259 H3' DT 29 H3' DT 29 -4.894 17.402 6.158 1260 H2' DT 29 H2' DT 29 -6.888 16.387 7.002 1261 H2'' DT 29 H2'' DT 29 -7.522 17.026 5.496 1262 H1' DT 29 H1' DT 29 -7.465 14.983 4.393 1263 H3 DT 29 H3 DT 29 -9.906 11.617 5.955 1264 H71 DT 29 H71 DT 29 -8.151 12.561 10.347 1265 H72 DT 29 H72 DT 29 -7.875 14.310 10.185 1266 H73 DT 29 H73 DT 29 -9.535 13.673 10.234 1267 H6 DT 29 H6 DT 29 -7.101 14.853 8.067 1268 H5' DC 30 H5' DC 30 -6.975 15.430 2.590 1269 H5'' DC 30 H5'' DC 30 -6.195 16.637 1.552 1270 H4' DC 30 H4' DC 30 -7.683 15.767 0.079 1271 H3' DC 30 H3' DC 30 -8.363 18.268 0.674 1272 H2' DC 30 H2' DC 30 -9.864 17.928 2.483 1273 H2'' DC 30 H2'' DC 30 -11.024 17.803 1.168 1274 H1' DC 30 H1' DC 30 -11.158 15.500 1.255 1275 H41 DC 30 H41 DC 30 -11.300 15.147 7.860 1276 H42 DC 30 H42 DC 30 -12.395 13.935 7.246 1277 H5 DC 30 H5 DC 30 -9.915 16.532 6.406 1278 H6 DC 30 H6 DC 30 -9.312 17.008 4.092 1279 H5' DT 31 H5' DT 31 -11.438 15.151 -0.578 1280 H5'' DT 31 H5'' DT 31 -11.083 15.620 -2.250 1281 H4' DT 31 H4' DT 31 -12.924 14.395 -2.640 1282 H3' DT 31 H3' DT 31 -13.528 16.945 -3.034 1283 H2' DT 31 H2' DT 31 -14.321 17.579 -0.887 1284 H2'' DT 31 H2'' DT 31 -15.838 17.018 -1.567 1285 H1' DT 31 H1' DT 31 -15.813 15.011 -0.404 1286 H3 DT 31 H3 DT 31 -15.639 15.071 4.042 1287 H71 DT 31 H71 DT 31 -12.391 18.962 2.211 1288 H72 DT 31 H72 DT 31 -13.177 19.052 3.804 1289 H73 DT 31 H73 DT 31 -11.760 18.002 3.569 1290 H6 DT 31 H6 DT 31 -13.210 17.410 0.663 1291 H5' DT 32 H5' DT 32 -16.639 13.914 -1.734 1292 H5'' DT 32 H5'' DT 32 -17.065 13.574 -3.422 1293 H4' DT 32 H4' DT 32 -18.824 12.600 -2.411 1294 H3' DT 32 H3' DT 32 -19.659 14.793 -3.666 1295 HO3' DT 32 HO3' DT 32 -20.785 12.667 -2.530 1296 H2' DT 32 H2' DT 32 -19.570 16.394 -1.910 1297 H2'' DT 32 H2'' DT 32 -21.198 15.791 -1.642 1298 H1' DT 32 H1' DT 32 -20.583 14.467 0.183 1299 H3 DT 32 H3 DT 32 -18.727 16.463 3.716 1300 H71 DT 32 H71 DT 32 -16.720 18.778 -0.717 1301 H72 DT 32 H72 DT 32 -15.531 18.377 0.545 1302 H73 DT 32 H73 DT 32 -16.774 19.608 0.856 1303 H6 DT 32 H6 DT 32 -17.973 16.804 -0.981 Start of MODEL 8 1 H1 LYS 1 H1 LYS 1 4.467 15.992 7.887 2 H2 LYS 1 H2 LYS 1 3.876 17.267 8.823 3 H3 LYS 1 H3 LYS 1 3.005 16.739 7.479 4 HA LYS 1 HA LYS 1 3.537 15.166 9.938 5 HB2 LYS 1 HB3 LYS 1 1.972 16.822 10.515 6 HB3 LYS 1 HB2 LYS 1 1.116 16.675 8.960 7 HG2 LYS 1 HG3 LYS 1 0.339 14.426 9.638 8 HG3 LYS 1 HG2 LYS 1 1.131 14.654 11.216 9 HD2 LYS 1 HD3 LYS 1 -0.333 16.385 11.834 10 HD3 LYS 1 HD2 LYS 1 -0.877 16.642 10.158 11 HE2 LYS 1 HE3 LYS 1 -2.603 15.521 11.470 12 HE3 LYS 1 HE2 LYS 1 -1.990 14.454 10.183 13 HZ1 LYS 1 HZ1 LYS 1 -1.128 14.355 13.027 14 HZ2 LYS 1 HZ2 LYS 1 -0.664 13.292 11.796 15 HZ3 LYS 1 HZ3 LYS 1 -2.271 13.321 12.327 16 H VAL 2 H VAL 2 1.313 15.290 7.128 17 HA VAL 2 HA VAL 2 0.800 12.507 7.180 18 HB VAL 2 HB VAL 2 -0.215 12.855 4.923 19 HG11 VAL 2 HG11 VAL 2 -2.033 14.303 5.732 20 HG12 VAL 2 HG12 VAL 2 -1.004 14.825 7.088 21 HG13 VAL 2 HG13 VAL 2 -1.520 13.126 6.965 22 HG21 VAL 2 HG21 VAL 2 0.673 15.726 5.355 23 HG22 VAL 2 HG22 VAL 2 -0.426 15.160 4.075 24 HG23 VAL 2 HG23 VAL 2 1.268 14.616 4.098 25 H LYS 3 H LYS 3 3.517 14.165 6.042 26 HA LYS 3 HA LYS 3 5.421 13.487 5.027 27 HB2 LYS 3 HB3 LYS 3 4.177 10.736 4.936 28 HB3 LYS 3 HB2 LYS 3 5.880 11.143 4.615 29 HG2 LYS 3 HG3 LYS 3 4.528 11.702 7.258 30 HG3 LYS 3 HG2 LYS 3 5.353 10.167 6.893 31 HD2 LYS 3 HD3 LYS 3 7.427 11.430 6.409 32 HD3 LYS 3 HD2 LYS 3 6.592 12.936 6.861 33 HE2 LYS 3 HE3 LYS 3 7.890 12.169 8.744 34 HE3 LYS 3 HE2 LYS 3 6.161 11.963 9.113 35 HZ1 LYS 3 HZ1 LYS 3 6.326 9.649 8.728 36 HZ2 LYS 3 HZ2 LYS 3 7.622 10.052 9.730 37 HZ3 LYS 3 HZ3 LYS 3 7.884 9.770 8.080 38 H PHE 4 H PHE 4 6.192 13.569 2.996 39 HA PHE 4 HA PHE 4 6.219 13.841 0.736 40 HB2 PHE 4 HB3 PHE 4 5.047 11.389 1.131 41 HB3 PHE 4 HB2 PHE 4 3.827 12.237 0.150 42 HD1 PHE 4 HD1 PHE 4 7.518 11.589 0.231 43 HD2 PHE 4 HD2 PHE 4 4.010 12.156 -2.143 44 HE1 PHE 4 HE1 PHE 4 8.819 11.089 -1.803 45 HE2 PHE 4 HE2 PHE 4 5.307 11.661 -4.180 46 HZ PHE 4 HZ PHE 4 7.715 11.125 -4.016 47 H THR 5 H THR 5 4.299 14.118 -1.166 48 HA THR 5 HA THR 5 1.958 15.439 -0.556 49 HB THR 5 HB THR 5 3.567 17.079 0.579 50 HG1 THR 5 HG1 THR 5 1.456 17.688 0.098 51 HG21 THR 5 HG21 THR 5 5.301 17.146 -1.162 52 HG22 THR 5 HG22 THR 5 4.613 18.763 -0.881 53 HG23 THR 5 HG23 THR 5 4.127 17.826 -2.313 54 H GLU 6 H GLU 6 1.361 17.052 -2.433 55 HA GLU 6 HA GLU 6 1.389 15.565 -4.818 56 HB2 GLU 6 HB3 GLU 6 0.795 18.515 -4.443 57 HB3 GLU 6 HB2 GLU 6 0.310 17.506 -5.827 58 HG2 GLU 6 HG3 GLU 6 -1.184 16.231 -4.480 59 HG3 GLU 6 HG2 GLU 6 -0.555 16.962 -2.983 60 H GLU 7 H GLU 7 3.313 18.380 -3.838 61 HA GLU 7 HA GLU 7 4.577 18.797 -6.343 62 HB2 GLU 7 HB3 GLU 7 5.664 19.449 -3.591 63 HB3 GLU 7 HB2 GLU 7 6.175 20.159 -5.141 64 HG2 GLU 7 HG3 GLU 7 3.472 20.471 -3.821 65 HG3 GLU 7 HG2 GLU 7 4.764 21.693 -3.897 66 H GLU 8 H GLU 8 5.472 16.853 -3.522 67 HA GLU 8 HA GLU 8 8.036 16.122 -4.504 68 HB2 GLU 8 HB3 GLU 8 6.317 14.765 -2.421 69 HB3 GLU 8 HB2 GLU 8 8.034 14.419 -2.742 70 HG2 GLU 8 HG3 GLU 8 6.780 16.854 -1.502 71 HG3 GLU 8 HG2 GLU 8 8.079 15.809 -0.878 72 H ASP 9 H ASP 9 4.834 14.718 -4.888 73 HA ASP 9 HA ASP 9 5.663 12.187 -5.875 74 HB2 ASP 9 HB3 ASP 9 3.295 12.989 -5.147 75 HB3 ASP 9 HB2 ASP 9 3.151 13.556 -6.828 76 H LEU 10 H LEU 10 5.057 15.296 -7.414 77 HA LEU 10 HA LEU 10 5.343 14.484 -10.110 78 HB2 LEU 10 HB3 LEU 10 6.029 17.164 -8.867 79 HB3 LEU 10 HB2 LEU 10 5.712 16.838 -10.588 80 HG LEU 10 HG LEU 10 3.675 16.542 -8.373 81 HD11 LEU 10 HD11 LEU 10 2.706 18.633 -9.251 82 HD12 LEU 10 HD12 LEU 10 4.082 18.793 -10.368 83 HD13 LEU 10 HD13 LEU 10 4.348 18.878 -8.611 84 HD21 LEU 10 HD21 LEU 10 3.399 16.533 -11.395 85 HD22 LEU 10 HD22 LEU 10 2.057 16.465 -10.229 86 HD23 LEU 10 HD23 LEU 10 3.229 15.128 -10.316 87 H LYS 11 H LYS 11 7.647 15.525 -7.644 88 HA LYS 11 HA LYS 11 9.922 15.618 -9.385 89 HB2 LYS 11 HB3 LYS 11 9.754 15.338 -6.369 90 HB3 LYS 11 HB2 LYS 11 11.231 15.693 -7.297 91 HG2 LYS 11 HG3 LYS 11 10.424 17.829 -7.937 92 HG3 LYS 11 HG2 LYS 11 8.782 17.460 -7.355 93 HD2 LYS 11 HD3 LYS 11 9.715 17.256 -5.044 94 HD3 LYS 11 HD2 LYS 11 11.287 17.800 -5.678 95 HE2 LYS 11 HE3 LYS 11 10.377 19.921 -6.323 96 HE3 LYS 11 HE2 LYS 11 8.718 19.377 -5.974 97 HZ1 LYS 11 HZ1 LYS 11 10.888 19.737 -3.972 98 HZ2 LYS 11 HZ2 LYS 11 9.315 19.201 -3.634 99 HZ3 LYS 11 HZ3 LYS 11 9.572 20.772 -4.213 100 H LEU 12 H LEU 12 8.336 13.145 -7.497 101 HA LEU 12 HA LEU 12 10.402 11.274 -7.311 102 HB2 LEU 12 HB3 LEU 12 8.184 11.139 -6.170 103 HB3 LEU 12 HB2 LEU 12 7.498 10.574 -7.712 104 HG LEU 12 HG LEU 12 8.991 8.624 -7.651 105 HD11 LEU 12 HD11 LEU 12 10.235 8.088 -5.595 106 HD12 LEU 12 HD12 LEU 12 9.798 9.677 -4.922 107 HD13 LEU 12 HD13 LEU 12 10.836 9.576 -6.364 108 HD21 LEU 12 HD21 LEU 12 7.337 9.002 -5.138 109 HD22 LEU 12 HD22 LEU 12 7.884 7.443 -5.800 110 HD23 LEU 12 HD23 LEU 12 6.742 8.449 -6.722 111 H GLN 13 H GLN 13 7.971 11.614 -9.910 112 HA GLN 13 HA GLN 13 8.911 9.485 -11.490 113 HB2 GLN 13 HB3 GLN 13 6.763 10.565 -11.896 114 HB3 GLN 13 HB2 GLN 13 7.594 12.059 -12.391 115 HG2 GLN 13 HG3 GLN 13 6.782 10.811 -14.320 116 HG3 GLN 13 HG2 GLN 13 8.560 10.904 -14.311 117 HE21 GLN 13 HE22 GLN 13 9.752 9.035 -13.892 118 HE22 GLN 13 HE21 GLN 13 9.058 7.456 -14.026 119 H GLN 14 H GLN 14 10.081 12.760 -11.112 120 HA GLN 14 HA GLN 14 11.838 12.691 -13.393 121 HB2 GLN 14 HB3 GLN 14 11.875 14.510 -10.966 122 HB3 GLN 14 HB2 GLN 14 12.770 14.759 -12.485 123 HG2 GLN 14 HG3 GLN 14 9.761 14.751 -12.150 124 HG3 GLN 14 HG2 GLN 14 10.798 16.178 -12.391 125 HE21 GLN 14 HE22 GLN 14 8.572 15.070 -13.988 126 HE22 GLN 14 HE21 GLN 14 9.213 14.840 -15.580 127 H LEU 15 H LEU 15 12.196 12.243 -9.893 128 HA LEU 15 HA LEU 15 15.007 11.804 -9.910 129 HB2 LEU 15 HB3 LEU 15 12.779 11.475 -7.993 130 HB3 LEU 15 HB2 LEU 15 14.187 10.417 -7.730 131 HG LEU 15 HG LEU 15 15.599 12.517 -7.744 132 HD11 LEU 15 HD11 LEU 15 14.457 14.623 -7.187 133 HD12 LEU 15 HD12 LEU 15 12.883 13.829 -7.435 134 HD13 LEU 15 HD13 LEU 15 14.004 14.029 -8.803 135 HD21 LEU 15 HD21 LEU 15 13.519 12.175 -5.565 136 HD22 LEU 15 HD22 LEU 15 15.059 13.052 -5.402 137 HD23 LEU 15 HD23 LEU 15 15.061 11.297 -5.702 138 H VAL 16 H VAL 16 12.227 9.622 -10.049 139 HA VAL 16 HA VAL 16 13.606 7.161 -9.942 140 HB VAL 16 HB VAL 16 10.961 7.954 -11.206 141 HG11 VAL 16 HG11 VAL 16 10.460 5.560 -11.487 142 HG12 VAL 16 HG12 VAL 16 12.124 5.158 -11.002 143 HG13 VAL 16 HG13 VAL 16 11.830 6.069 -12.502 144 HG21 VAL 16 HG21 VAL 16 11.671 6.311 -8.756 145 HG22 VAL 16 HG22 VAL 16 10.024 6.647 -9.339 146 HG23 VAL 16 HG23 VAL 16 11.054 7.980 -8.766 147 H MET 17 H MET 17 12.804 9.293 -12.623 148 HA MET 17 HA MET 17 13.607 7.711 -14.773 149 HB2 MET 17 HB3 MET 17 12.386 9.791 -15.043 150 HB3 MET 17 HB2 MET 17 13.779 10.717 -14.432 151 HG2 MET 17 HG3 MET 17 15.088 10.030 -16.386 152 HG3 MET 17 HG2 MET 17 13.689 9.113 -16.997 153 HE1 MET 17 HE1 MET 17 13.707 13.725 -16.513 154 HE2 MET 17 HE2 MET 17 15.098 12.692 -16.107 155 HE3 MET 17 HE3 MET 17 13.609 12.601 -15.137 156 H ARG 18 H ARG 18 15.572 9.476 -12.465 157 HA ARG 18 HA ARG 18 17.985 8.932 -14.067 158 HB2 ARG 18 HB3 ARG 18 17.639 10.597 -11.560 159 HB3 ARG 18 HB2 ARG 18 19.132 10.434 -12.516 160 HG2 ARG 18 HG3 ARG 18 18.499 12.025 -13.938 161 HG3 ARG 18 HG2 ARG 18 16.883 11.308 -14.144 162 HD2 ARG 18 HD3 ARG 18 17.066 13.679 -13.119 163 HD3 ARG 18 HD2 ARG 18 15.986 12.495 -12.343 164 HE ARG 18 HE ARG 18 18.615 12.467 -11.209 165 HH11 ARG 18 HH11 ARG 18 15.580 14.208 -11.194 166 HH12 ARG 18 HH12 ARG 18 15.790 14.822 -9.586 167 HH21 ARG 18 HH22 ARG 18 18.894 13.258 -9.087 168 HH22 ARG 18 HH21 ARG 18 17.672 14.270 -8.381 169 H TYR 19 H TYR 19 16.399 7.912 -11.118 170 HA TYR 19 HA TYR 19 18.848 6.584 -10.210 171 HB2 TYR 19 HB3 TYR 19 16.172 6.930 -8.856 172 HB3 TYR 19 HB2 TYR 19 17.557 6.049 -8.165 173 HD1 TYR 19 HD2 TYR 19 19.826 7.772 -8.895 174 HD2 TYR 19 HD1 TYR 19 15.916 8.840 -7.533 175 HE1 TYR 19 HE2 TYR 19 20.718 9.887 -7.995 176 HE2 TYR 19 HE1 TYR 19 16.803 10.957 -6.642 177 HH TYR 19 HH TYR 19 20.021 12.032 -7.325 178 H GLY 20 H GLY 20 15.679 5.756 -11.489 179 HA2 GLY 20 HA3 GLY 20 15.413 3.713 -12.723 180 HA3 GLY 20 HA2 GLY 20 16.634 2.968 -11.663 181 H ALA 21 H ALA 21 15.544 1.319 -10.755 182 HA ALA 21 HA ALA 21 13.172 2.007 -9.141 183 HB1 ALA 21 HB1 ALA 21 12.116 -0.128 -9.784 184 HB2 ALA 21 HB2 ALA 21 13.452 -0.439 -10.918 185 HB3 ALA 21 HB3 ALA 21 12.360 0.941 -11.186 186 H LYS 22 H LYS 22 16.107 1.484 -8.659 187 HA LYS 22 HA LYS 22 15.710 -0.569 -6.575 188 HB2 LYS 22 HB3 LYS 22 16.968 -1.515 -8.487 189 HB3 LYS 22 HB2 LYS 22 18.213 -0.264 -8.252 190 HG2 LYS 22 HG3 LYS 22 18.626 -1.170 -5.976 191 HG3 LYS 22 HG2 LYS 22 17.467 -2.476 -6.324 192 HD2 LYS 22 HD3 LYS 22 18.849 -3.177 -8.245 193 HD3 LYS 22 HD2 LYS 22 20.015 -1.886 -7.868 194 HE2 LYS 22 HE3 LYS 22 19.270 -4.196 -6.045 195 HE3 LYS 22 HE2 LYS 22 20.759 -4.072 -7.013 196 HZ1 LYS 22 HZ1 LYS 22 21.160 -1.934 -5.743 197 HZ2 LYS 22 HZ2 LYS 22 21.340 -3.374 -4.876 198 HZ3 LYS 22 HZ3 LYS 22 19.945 -2.437 -4.679 199 H ASP 23 H ASP 23 17.665 2.200 -7.651 200 HA ASP 23 HA ASP 23 18.860 2.527 -5.036 201 HB2 ASP 23 HB3 ASP 23 19.936 3.074 -7.305 202 HB3 ASP 23 HB2 ASP 23 18.960 4.562 -7.256 203 H TRP 24 H TRP 24 16.475 2.622 -4.191 204 HA TRP 24 HA TRP 24 15.229 5.227 -4.376 205 HB2 TRP 24 HB3 TRP 24 14.692 2.952 -2.436 206 HB3 TRP 24 HB2 TRP 24 13.633 4.344 -2.768 207 HD1 TRP 24 HD1 TRP 24 14.503 0.880 -4.034 208 HE1 TRP 24 HE1 TRP 24 13.036 0.322 -6.061 209 HE3 TRP 24 HE3 TRP 24 12.433 5.491 -4.832 210 HZ2 TRP 24 HZ2 TRP 24 11.228 1.626 -7.775 211 HZ3 TRP 24 HZ3 TRP 24 10.827 5.759 -6.689 212 HH2 TRP 24 HH2 TRP 24 10.238 3.854 -8.139 213 H ILE 25 H ILE 25 17.857 4.010 -2.771 214 HA ILE 25 HA ILE 25 17.537 5.301 -0.214 215 HB ILE 25 HB ILE 25 20.129 4.340 -1.475 216 HG12 ILE 25 HG12 ILE 25 18.238 2.777 0.309 217 HG13 ILE 25 HG13 ILE 25 18.296 2.613 -1.463 218 HG21 ILE 25 HG21 ILE 25 20.831 4.081 0.876 219 HG22 ILE 25 HG22 ILE 25 19.258 4.718 1.414 220 HG23 ILE 25 HG23 ILE 25 20.381 5.764 0.512 221 HD11 ILE 25 HD11 ILE 25 20.627 1.867 -1.316 222 HD12 ILE 25 HD12 ILE 25 19.545 0.826 -0.361 223 HD13 ILE 25 HD13 ILE 25 20.568 2.032 0.455 224 H ARG 26 H ARG 26 18.836 6.125 -3.350 225 HA ARG 26 HA ARG 26 20.299 8.432 -2.553 226 HB2 ARG 26 HB3 ARG 26 19.856 7.048 -4.939 227 HB3 ARG 26 HB2 ARG 26 19.143 8.656 -5.211 228 HG2 ARG 26 HG3 ARG 26 21.236 9.204 -5.822 229 HG3 ARG 26 HG2 ARG 26 21.504 9.345 -4.067 230 HD2 ARG 26 HD3 ARG 26 22.242 7.085 -5.927 231 HD3 ARG 26 HD2 ARG 26 23.289 8.024 -4.835 232 HE ARG 26 HE ARG 26 21.448 5.849 -4.076 233 HH11 ARG 26 HH11 ARG 26 23.952 8.149 -3.207 234 HH12 ARG 26 HH12 ARG 26 24.324 7.367 -1.703 235 HH21 ARG 26 HH22 ARG 26 21.962 4.816 -2.094 236 HH22 ARG 26 HH21 ARG 26 23.198 5.475 -1.068 237 H ILE 27 H ILE 27 16.933 7.780 -3.096 238 HA ILE 27 HA ILE 27 16.118 10.545 -3.300 239 HB ILE 27 HB ILE 27 14.460 8.067 -2.660 240 HG12 ILE 27 HG12 ILE 27 14.943 9.454 -5.314 241 HG13 ILE 27 HG13 ILE 27 15.684 7.918 -4.805 242 HG21 ILE 27 HG21 ILE 27 12.557 9.427 -3.440 243 HG22 ILE 27 HG22 ILE 27 13.642 10.820 -3.654 244 HG23 ILE 27 HG23 ILE 27 13.350 10.161 -2.027 245 HD11 ILE 27 HD11 ILE 27 13.465 6.881 -4.704 246 HD12 ILE 27 HD12 ILE 27 13.807 7.541 -6.321 247 HD13 ILE 27 HD13 ILE 27 12.724 8.417 -5.212 248 H SER 28 H SER 28 16.331 8.048 -0.832 249 HA SER 28 HA SER 28 15.111 9.353 1.310 250 HB2 SER 28 HB3 SER 28 17.535 7.547 1.540 251 HB3 SER 28 HB2 SER 28 16.237 7.799 2.732 252 HG SER 28 HG SER 28 14.815 6.749 1.364 253 H GLN 29 H GLN 29 18.073 10.075 -0.268 254 HA GLN 29 HA GLN 29 19.433 11.366 1.878 255 HB2 GLN 29 HB3 GLN 29 19.632 11.744 -1.125 256 HB3 GLN 29 HB2 GLN 29 20.741 12.464 0.068 257 HG2 GLN 29 HG3 GLN 29 21.369 10.188 0.806 258 HG3 GLN 29 HG2 GLN 29 20.324 9.514 -0.468 259 HE21 GLN 29 HE22 GLN 29 20.975 11.570 -2.390 260 HE22 GLN 29 HE21 GLN 29 22.594 11.270 -2.924 261 H LEU 30 H LEU 30 16.929 12.303 -0.363 262 HA LEU 30 HA LEU 30 17.073 15.126 0.420 263 HB2 LEU 30 HB3 LEU 30 15.066 13.705 -1.353 264 HB3 LEU 30 HB2 LEU 30 15.281 15.463 -1.172 265 HG LEU 30 HG LEU 30 17.215 13.522 -2.453 266 HD11 LEU 30 HD11 LEU 30 16.688 14.766 -4.512 267 HD12 LEU 30 HD12 LEU 30 15.495 15.734 -3.614 268 HD13 LEU 30 HD13 LEU 30 15.247 13.984 -3.820 269 HD21 LEU 30 HD21 LEU 30 17.406 16.529 -2.098 270 HD22 LEU 30 HD22 LEU 30 18.517 15.522 -3.056 271 HD23 LEU 30 HD23 LEU 30 18.416 15.305 -1.292 272 H MET 31 H MET 31 14.853 12.372 0.547 273 HA MET 31 HA MET 31 13.445 13.667 2.805 274 HB2 MET 31 HB3 MET 31 12.426 12.585 0.410 275 HB3 MET 31 HB2 MET 31 12.051 11.392 1.677 276 HG2 MET 31 HG3 MET 31 10.826 12.977 2.938 277 HG3 MET 31 HG2 MET 31 11.426 14.332 1.952 278 HE1 MET 31 HE1 MET 31 9.559 13.808 -1.436 279 HE2 MET 31 HE2 MET 31 11.189 13.246 -0.995 280 HE3 MET 31 HE3 MET 31 10.638 14.862 -0.492 281 H ILE 32 H ILE 32 14.415 12.901 4.570 282 HA ILE 32 HA ILE 32 15.190 10.053 4.642 283 HB ILE 32 HB ILE 32 16.951 11.886 4.988 284 HG12 ILE 32 HG12 ILE 32 16.720 9.904 7.253 285 HG13 ILE 32 HG13 ILE 32 17.126 9.438 5.584 286 HG21 ILE 32 HG21 ILE 32 17.148 12.787 7.272 287 HG22 ILE 32 HG22 ILE 32 15.570 12.074 7.681 288 HG23 ILE 32 HG23 ILE 32 15.676 13.356 6.450 289 HD11 ILE 32 HD11 ILE 32 19.106 10.882 5.663 290 HD12 ILE 32 HD12 ILE 32 19.134 9.663 6.959 291 HD13 ILE 32 HD13 ILE 32 18.700 11.348 7.331 292 H THR 33 H THR 33 12.814 12.102 5.639 293 HA THR 33 HA THR 33 12.375 10.875 8.245 294 HB THR 33 HB THR 33 10.168 12.446 7.818 295 HG1 THR 33 HG1 THR 33 11.707 14.357 6.903 296 HG21 THR 33 HG21 THR 33 11.710 12.515 9.754 297 HG22 THR 33 HG22 THR 33 11.377 14.149 9.135 298 HG23 THR 33 HG23 THR 33 12.922 13.352 8.755 299 H ARG 34 H ARG 34 12.005 9.587 5.420 300 HA ARG 34 HA ARG 34 9.497 8.252 6.164 301 HB2 ARG 34 HB3 ARG 34 8.620 8.306 3.935 302 HB3 ARG 34 HB2 ARG 34 8.949 9.969 4.477 303 HG2 ARG 34 HG3 ARG 34 10.944 10.064 3.116 304 HG3 ARG 34 HG2 ARG 34 10.746 8.357 2.650 305 HD2 ARG 34 HD3 ARG 34 8.729 10.550 2.075 306 HD3 ARG 34 HD2 ARG 34 9.955 9.975 0.919 307 HE ARG 34 HE ARG 34 8.837 7.805 0.982 308 HH11 ARG 34 HH11 ARG 34 7.061 10.533 2.265 309 HH12 ARG 34 HH12 ARG 34 5.500 9.842 1.939 310 HH21 ARG 34 HH22 ARG 34 6.765 6.883 0.564 311 HH22 ARG 34 HH21 ARG 34 5.339 7.772 0.988 312 H ASN 35 H ASN 35 9.249 6.133 5.344 313 HA ASN 35 HA ASN 35 11.616 4.580 5.304 314 HB2 ASN 35 HB3 ASN 35 9.288 3.899 6.046 315 HB3 ASN 35 HB2 ASN 35 8.846 3.803 4.325 316 HD21 ASN 35 HD22 ASN 35 9.050 1.799 6.591 317 HD22 ASN 35 HD21 ASN 35 10.016 0.521 5.933 318 HA PRO 36 HA PRO 36 12.971 5.336 1.117 319 HB2 PRO 36 HB3 PRO 36 14.147 2.584 1.548 320 HB3 PRO 36 HB2 PRO 36 14.931 4.061 0.937 321 HG2 PRO 36 HG3 PRO 36 15.337 3.242 3.437 322 HG3 PRO 36 HG2 PRO 36 15.163 4.974 3.063 323 HD2 PRO 36 HD3 PRO 36 13.214 3.096 4.354 324 HD3 PRO 36 HD2 PRO 36 13.487 4.830 4.652 325 H ARG 37 H ARG 37 11.824 2.064 1.988 326 HA ARG 37 HA ARG 37 11.178 1.257 -0.650 327 HB2 ARG 37 HB3 ARG 37 11.515 -0.306 1.205 328 HB3 ARG 37 HB2 ARG 37 10.030 0.298 1.978 329 HG2 ARG 37 HG3 ARG 37 8.796 -0.459 -0.111 330 HG3 ARG 37 HG2 ARG 37 10.295 -1.301 -0.573 331 HD2 ARG 37 HD3 ARG 37 8.437 -1.825 1.731 332 HD3 ARG 37 HD2 ARG 37 9.144 -2.967 0.563 333 HE ARG 37 HE ARG 37 11.224 -2.808 1.748 334 HH11 ARG 37 HH11 ARG 37 8.498 -1.318 3.358 335 HH12 ARG 37 HH12 ARG 37 9.266 -1.294 4.912 336 HH21 ARG 37 HH22 ARG 37 12.252 -2.747 3.774 337 HH22 ARG 37 HH21 ARG 37 11.424 -2.085 5.148 338 H GLN 38 H GLN 38 9.484 3.244 1.651 339 HA GLN 38 HA GLN 38 6.878 2.849 0.548 340 HB2 GLN 38 HB3 GLN 38 7.975 5.083 2.255 341 HB3 GLN 38 HB2 GLN 38 6.270 4.923 1.769 342 HG2 GLN 38 HG3 GLN 38 7.891 3.235 3.643 343 HG3 GLN 38 HG2 GLN 38 6.299 3.993 3.886 344 HE21 GLN 38 HE22 GLN 38 4.488 3.052 2.837 345 HE22 GLN 38 HE21 GLN 38 4.467 1.364 2.460 346 H CYS 39 H CYS 39 9.634 4.633 -0.424 347 HA CYS 39 HA CYS 39 8.243 6.557 -2.055 348 HB2 CYS 39 HB3 CYS 39 11.078 5.549 -2.414 349 HB3 CYS 39 HB2 CYS 39 10.391 7.099 -2.955 350 HG CYS 39 HG CYS 39 12.050 6.549 -0.252 351 H ARG 40 H ARG 40 9.499 3.298 -2.379 352 HA ARG 40 HA ARG 40 9.073 3.048 -5.204 353 HB2 ARG 40 HB3 ARG 40 10.633 1.569 -4.060 354 HB3 ARG 40 HB2 ARG 40 9.336 0.976 -2.995 355 HG2 ARG 40 HG3 ARG 40 8.193 0.079 -5.050 356 HG3 ARG 40 HG2 ARG 40 9.663 0.492 -5.964 357 HD2 ARG 40 HD3 ARG 40 10.339 -0.965 -3.556 358 HD3 ARG 40 HD2 ARG 40 9.142 -1.868 -4.516 359 HE ARG 40 HE ARG 40 10.956 -1.149 -6.378 360 HH11 ARG 40 HH11 ARG 40 11.246 -2.754 -3.268 361 HH12 ARG 40 HH12 ARG 40 12.693 -3.597 -3.701 362 HH21 ARG 40 HH22 ARG 40 12.867 -2.266 -6.945 363 HH22 ARG 40 HH21 ARG 40 13.613 -3.329 -5.790 364 H GLU 41 H GLU 41 7.283 2.138 -2.270 365 HA GLU 41 HA GLU 41 5.037 0.951 -3.504 366 HB2 GLU 41 HB3 GLU 41 5.803 1.056 -0.995 367 HB3 GLU 41 HB2 GLU 41 4.808 2.531 -0.952 368 HG2 GLU 41 HG3 GLU 41 2.944 1.018 -1.928 369 HG3 GLU 41 HG2 GLU 41 3.964 -0.326 -1.360 370 H ARG 42 H ARG 42 6.004 4.241 -3.096 371 HA ARG 42 HA ARG 42 3.455 5.488 -3.454 372 HB2 ARG 42 HB3 ARG 42 5.194 6.722 -2.377 373 HB3 ARG 42 HB2 ARG 42 6.311 6.460 -3.738 374 HG2 ARG 42 HG3 ARG 42 5.728 8.589 -4.216 375 HG3 ARG 42 HG2 ARG 42 4.368 7.780 -5.031 376 HD2 ARG 42 HD3 ARG 42 4.368 8.974 -2.246 377 HD3 ARG 42 HD2 ARG 42 3.546 9.621 -3.686 378 HE ARG 42 HE ARG 42 2.743 7.337 -2.068 379 HH11 ARG 42 HH11 ARG 42 2.244 9.311 -4.927 380 HH12 ARG 42 HH12 ARG 42 0.662 8.652 -5.237 381 HH21 ARG 42 HH22 ARG 42 0.722 6.418 -2.536 382 HH22 ARG 42 HH21 ARG 42 -0.204 7.004 -3.878 383 H TRP 43 H TRP 43 6.278 5.317 -5.655 384 HA TRP 43 HA TRP 43 4.791 6.195 -7.902 385 HB2 TRP 43 HB3 TRP 43 6.807 6.518 -8.719 386 HB3 TRP 43 HB2 TRP 43 7.499 5.724 -7.284 387 HD1 TRP 43 HD1 TRP 43 8.148 3.073 -7.554 388 HE1 TRP 43 HE1 TRP 43 8.827 1.739 -9.640 389 HE3 TRP 43 HE3 TRP 43 6.464 6.290 -11.174 390 HZ2 TRP 43 HZ2 TRP 43 8.697 1.984 -12.430 391 HZ3 TRP 43 HZ3 TRP 43 6.793 5.669 -13.545 392 HH2 TRP 43 HH2 TRP 43 7.887 3.544 -14.160 393 H ASN 44 H ASN 44 5.609 2.981 -6.714 394 HA ASN 44 HA ASN 44 4.782 1.564 -9.032 395 HB2 ASN 44 HB3 ASN 44 6.276 0.615 -7.314 396 HB3 ASN 44 HB2 ASN 44 4.908 0.564 -6.176 397 HD21 ASN 44 HD22 ASN 44 4.190 -1.426 -5.953 398 HD22 ASN 44 HD21 ASN 44 4.017 -2.598 -7.209 399 H ASN 45 H ASN 45 2.945 2.990 -6.448 400 HA ASN 45 HA ASN 45 0.585 1.495 -7.412 401 HB2 ASN 45 HB3 ASN 45 1.258 2.611 -4.701 402 HB3 ASN 45 HB2 ASN 45 -0.430 2.310 -5.180 403 HD21 ASN 45 HD22 ASN 45 2.487 0.949 -4.081 404 HD22 ASN 45 HD21 ASN 45 1.982 -0.714 -4.039 405 H TYR 46 H TYR 46 1.919 4.277 -8.168 406 HA TYR 46 HA TYR 46 -0.713 5.522 -8.464 407 HB2 TYR 46 HB3 TYR 46 0.277 6.461 -6.402 408 HB3 TYR 46 HB2 TYR 46 1.622 7.100 -7.377 409 HD1 TYR 46 HD2 TYR 46 -2.106 7.206 -7.062 410 HD2 TYR 46 HD1 TYR 46 1.428 9.208 -8.400 411 HE1 TYR 46 HE2 TYR 46 -3.444 9.210 -7.587 412 HE2 TYR 46 HE1 TYR 46 0.092 11.208 -8.939 413 HH TYR 46 HH TYR 46 -3.072 11.653 -7.850 414 H ILE 47 H ILE 47 2.708 5.642 -9.421 415 HA ILE 47 HA ILE 47 1.871 7.138 -11.815 416 HB ILE 47 HB ILE 47 4.771 6.646 -11.217 417 HG12 ILE 47 HG12 ILE 47 3.118 8.843 -9.924 418 HG13 ILE 47 HG13 ILE 47 3.715 7.395 -9.077 419 HG21 ILE 47 HG21 ILE 47 4.969 8.872 -12.267 420 HG22 ILE 47 HG22 ILE 47 3.197 8.964 -12.397 421 HG23 ILE 47 HG23 ILE 47 4.093 7.729 -13.313 422 HD11 ILE 47 HD11 ILE 47 6.026 8.082 -9.531 423 HD12 ILE 47 HD12 ILE 47 5.135 9.335 -8.633 424 HD13 ILE 47 HD13 ILE 47 5.429 9.529 -10.378 425 H ASN 48 H ASN 48 2.756 4.026 -10.795 426 HA ASN 48 HA ASN 48 3.693 3.229 -13.427 427 HB2 ASN 48 HB3 ASN 48 4.678 2.320 -11.272 428 HB3 ASN 48 HB2 ASN 48 3.196 1.345 -11.129 429 HD21 ASN 48 HD22 ASN 48 4.143 -0.629 -11.431 430 HD22 ASN 48 HD21 ASN 48 4.855 -1.129 -12.928 431 HA PRO 49 HA PRO 49 -0.382 0.932 -13.661 432 HB2 PRO 49 HB3 PRO 49 -1.962 0.452 -11.518 433 HB3 PRO 49 HB2 PRO 49 -0.422 -0.422 -11.708 434 HG2 PRO 49 HG3 PRO 49 -1.110 1.878 -9.924 435 HG3 PRO 49 HG2 PRO 49 -0.027 0.496 -9.631 436 HD2 PRO 49 HD3 PRO 49 0.741 3.098 -10.452 437 HD3 PRO 49 HD2 PRO 49 1.771 1.647 -10.431 438 H ALA 50 H ALA 50 -2.898 1.285 -13.508 439 HA ALA 50 HA ALA 50 -3.495 4.136 -13.035 440 HB1 ALA 50 HB1 ALA 50 -4.869 4.162 -15.080 441 HB2 ALA 50 HB2 ALA 50 -4.345 2.501 -15.446 442 HB3 ALA 50 HB3 ALA 50 -3.157 3.827 -15.434 443 H LEU 51 H LEU 51 -4.617 3.776 -11.149 444 HA LEU 51 HA LEU 51 -6.832 1.855 -11.215 445 HB2 LEU 51 HB3 LEU 51 -7.000 2.402 -8.762 446 HB3 LEU 51 HB2 LEU 51 -5.531 1.549 -9.295 447 HG LEU 51 HG LEU 51 -5.294 4.487 -9.162 448 HD11 LEU 51 HD11 LEU 51 -5.064 4.515 -6.708 449 HD12 LEU 51 HD12 LEU 51 -5.631 2.830 -6.639 450 HD13 LEU 51 HD13 LEU 51 -6.723 4.114 -7.210 451 HD21 LEU 51 HD21 LEU 51 -3.638 2.173 -8.102 452 HD22 LEU 51 HD22 LEU 51 -3.145 3.883 -8.118 453 HD23 LEU 51 HD23 LEU 51 -3.399 3.016 -9.651 454 H ARG 52 H ARG 52 -7.998 3.229 -12.715 455 HA ARG 52 HA ARG 52 -9.477 5.333 -11.265 456 HB2 ARG 52 HB3 ARG 52 -9.726 6.564 -13.398 457 HB3 ARG 52 HB2 ARG 52 -8.053 6.488 -12.794 458 HG2 ARG 52 HG3 ARG 52 -7.368 5.057 -14.492 459 HG3 ARG 52 HG2 ARG 52 -9.027 4.515 -14.843 460 HD2 ARG 52 HD3 ARG 52 -7.950 6.106 -16.526 461 HD3 ARG 52 HD2 ARG 52 -9.574 6.535 -15.935 462 HE ARG 52 HE ARG 52 -8.607 8.259 -14.626 463 HH11 ARG 52 HH11 ARG 52 -6.312 6.639 -16.714 464 HH12 ARG 52 HH12 ARG 52 -5.119 7.890 -16.588 465 HH21 ARG 52 HH22 ARG 52 -7.049 9.919 -14.470 466 HH22 ARG 52 HH21 ARG 52 -5.544 9.768 -15.325 467 H THR 53 H THR 53 -9.537 2.879 -13.783 468 HA THR 53 HA THR 53 -12.294 3.061 -14.399 469 HB THR 53 HB THR 53 -11.059 0.399 -14.745 470 HG1 THR 53 HG1 THR 53 -9.564 1.369 -16.355 471 HG21 THR 53 HG21 THR 53 -13.050 1.192 -15.983 472 HG22 THR 53 HG22 THR 53 -11.702 0.830 -17.088 473 HG23 THR 53 HG23 THR 53 -12.086 2.518 -16.676 474 H ASP 54 H ASP 54 -12.323 3.106 -11.670 475 HA ASP 54 HA ASP 54 -13.309 2.222 -9.818 476 HB2 ASP 54 HB3 ASP 54 -14.605 0.621 -12.020 477 HB3 ASP 54 HB2 ASP 54 -15.001 0.336 -10.308 478 HA PRO 55 HA PRO 55 -11.118 -1.360 -8.399 479 HB2 PRO 55 HB3 PRO 55 -12.884 -2.746 -6.819 480 HB3 PRO 55 HB2 PRO 55 -12.246 -1.155 -6.338 481 HG2 PRO 55 HG3 PRO 55 -14.872 -1.841 -7.642 482 HG3 PRO 55 HG2 PRO 55 -14.548 -0.760 -6.265 483 HD2 PRO 55 HD3 PRO 55 -14.921 0.178 -8.786 484 HD3 PRO 55 HD2 PRO 55 -13.823 0.974 -7.633 485 H TRP 56 H TRP 56 -11.257 -3.877 -8.258 486 HA TRP 56 HA TRP 56 -11.838 -4.934 -10.771 487 HB2 TRP 56 HB3 TRP 56 -11.921 -7.160 -9.138 488 HB3 TRP 56 HB2 TRP 56 -10.495 -6.478 -9.957 489 HD1 TRP 56 HD1 TRP 56 -8.931 -4.772 -8.397 490 HE1 TRP 56 HE1 TRP 56 -8.451 -4.890 -5.875 491 HE3 TRP 56 HE3 TRP 56 -12.803 -7.806 -6.962 492 HZ2 TRP 56 HZ2 TRP 56 -9.525 -6.099 -3.581 493 HZ3 TRP 56 HZ3 TRP 56 -13.006 -8.411 -4.573 494 HH2 TRP 56 HH2 TRP 56 -11.389 -7.567 -2.910 495 H SER 57 H SER 57 -13.391 -6.475 -11.462 496 HA SER 57 HA SER 57 -16.065 -5.706 -10.633 497 HB2 SER 57 HB3 SER 57 -15.696 -7.877 -12.625 498 HB3 SER 57 HB2 SER 57 -16.676 -6.394 -12.716 499 HG SER 57 HG SER 57 -13.889 -6.719 -13.199 500 HA PRO 58 HA PRO 58 -17.342 -9.094 -8.125 501 HB2 PRO 58 HB3 PRO 58 -19.326 -9.892 -10.260 502 HB3 PRO 58 HB2 PRO 58 -19.597 -9.588 -8.527 503 HG2 PRO 58 HG3 PRO 58 -20.307 -7.775 -10.329 504 HG3 PRO 58 HG2 PRO 58 -19.555 -7.272 -8.796 505 HD2 PRO 58 HD3 PRO 58 -18.348 -7.435 -11.551 506 HD3 PRO 58 HD2 PRO 58 -18.090 -6.222 -10.273 507 H GLU 59 H GLU 59 -16.563 -9.759 -11.469 508 HA GLU 59 HA GLU 59 -16.521 -12.617 -11.295 509 HB2 GLU 59 HB3 GLU 59 -15.080 -10.729 -13.186 510 HB3 GLU 59 HB2 GLU 59 -15.237 -12.491 -13.392 511 HG2 GLU 59 HG3 GLU 59 -17.607 -12.312 -13.677 512 HG3 GLU 59 HG2 GLU 59 -17.576 -10.582 -13.256 513 H GLU 60 H GLU 60 -14.164 -10.022 -10.901 514 HA GLU 60 HA GLU 60 -11.933 -11.781 -10.446 515 HB2 GLU 60 HB3 GLU 60 -12.294 -8.826 -9.863 516 HB3 GLU 60 HB2 GLU 60 -10.763 -9.724 -9.717 517 HG2 GLU 60 HG3 GLU 60 -10.454 -8.862 -11.786 518 HG3 GLU 60 HG2 GLU 60 -11.339 -10.336 -12.245 519 H ASP 61 H ASP 61 -14.330 -10.131 -8.500 520 HA ASP 61 HA ASP 61 -13.184 -10.449 -5.947 521 HB2 ASP 61 HB3 ASP 61 -15.051 -9.016 -6.107 522 HB3 ASP 61 HB2 ASP 61 -16.036 -10.249 -6.932 523 H MET 62 H MET 62 -15.276 -12.589 -7.845 524 HA MET 62 HA MET 62 -15.469 -14.632 -5.861 525 HB2 MET 62 HB3 MET 62 -15.928 -14.674 -8.853 526 HB3 MET 62 HB2 MET 62 -16.235 -16.060 -7.779 527 HG2 MET 62 HG3 MET 62 -17.875 -14.723 -6.538 528 HG3 MET 62 HG2 MET 62 -17.578 -13.352 -7.634 529 HE1 MET 62 HE1 MET 62 -18.860 -14.827 -11.066 530 HE2 MET 62 HE2 MET 62 -17.204 -14.926 -10.423 531 HE3 MET 62 HE3 MET 62 -18.135 -13.419 -10.254 532 H LEU 63 H LEU 63 -13.300 -14.081 -8.617 533 HA LEU 63 HA LEU 63 -11.966 -16.601 -8.411 534 HB2 LEU 63 HB3 LEU 63 -12.023 -15.279 -10.475 535 HB3 LEU 63 HB2 LEU 63 -11.089 -13.991 -9.676 536 HG LEU 63 HG LEU 63 -9.233 -15.672 -9.388 537 HD11 LEU 63 HD11 LEU 63 -9.233 -17.618 -10.895 538 HD12 LEU 63 HD12 LEU 63 -10.912 -17.252 -11.359 539 HD13 LEU 63 HD13 LEU 63 -10.533 -17.716 -9.683 540 HD21 LEU 63 HD21 LEU 63 -10.085 -14.966 -12.211 541 HD22 LEU 63 HD22 LEU 63 -8.445 -15.441 -11.707 542 HD23 LEU 63 HD23 LEU 63 -9.162 -13.932 -11.095 543 H LEU 64 H LEU 64 -11.292 -13.322 -7.223 544 HA LEU 64 HA LEU 64 -8.726 -13.821 -6.158 545 HB2 LEU 64 HB3 LEU 64 -10.167 -11.611 -6.486 546 HB3 LEU 64 HB2 LEU 64 -10.575 -11.924 -4.782 547 HG LEU 64 HG LEU 64 -7.712 -11.781 -5.700 548 HD11 LEU 64 HD11 LEU 64 -7.715 -9.392 -5.091 549 HD12 LEU 64 HD12 LEU 64 -9.478 -9.459 -4.858 550 HD13 LEU 64 HD13 LEU 64 -8.783 -9.722 -6.475 551 HD21 LEU 64 HD21 LEU 64 -9.099 -11.232 -3.056 552 HD22 LEU 64 HD22 LEU 64 -7.350 -11.105 -3.359 553 HD23 LEU 64 HD23 LEU 64 -8.159 -12.686 -3.470 554 H ASP 65 H ASP 65 -11.972 -14.170 -4.804 555 HA ASP 65 HA ASP 65 -11.307 -14.736 -2.146 556 HB2 ASP 65 HB3 ASP 65 -13.586 -14.373 -2.649 557 HB3 ASP 65 HB2 ASP 65 -13.596 -15.631 -3.908 558 H GLN 66 H GLN 66 -11.404 -16.847 -4.974 559 HA GLN 66 HA GLN 66 -10.921 -19.283 -3.571 560 HB2 GLN 66 HB3 GLN 66 -11.931 -19.280 -5.780 561 HB3 GLN 66 HB2 GLN 66 -10.473 -18.531 -6.474 562 HG2 GLN 66 HG3 GLN 66 -9.192 -20.498 -6.134 563 HG3 GLN 66 HG2 GLN 66 -10.461 -21.231 -5.122 564 HE21 GLN 66 HE22 GLN 66 -12.253 -22.119 -6.088 565 HE22 GLN 66 HE21 GLN 66 -12.337 -22.446 -7.783 566 H LYS 67 H LYS 67 -8.813 -16.970 -5.260 567 HA LYS 67 HA LYS 67 -6.420 -18.480 -4.809 568 HB2 LYS 67 HB3 LYS 67 -6.784 -15.552 -5.493 569 HB3 LYS 67 HB2 LYS 67 -5.235 -16.430 -5.502 570 HG2 LYS 67 HG3 LYS 67 -7.632 -17.000 -7.271 571 HG3 LYS 67 HG2 LYS 67 -6.123 -16.193 -7.762 572 HD2 LYS 67 HD3 LYS 67 -4.846 -18.196 -7.387 573 HD3 LYS 67 HD2 LYS 67 -6.244 -19.009 -6.640 574 HE2 LYS 67 HE3 LYS 67 -7.454 -18.844 -8.797 575 HE3 LYS 67 HE2 LYS 67 -6.006 -18.112 -9.530 576 HZ1 LYS 67 HZ1 LYS 67 -4.793 -20.115 -9.185 577 HZ2 LYS 67 HZ2 LYS 67 -6.256 -20.535 -9.924 578 HZ3 LYS 67 HZ3 LYS 67 -6.041 -20.804 -8.269 579 H TYR 68 H TYR 68 -8.272 -16.259 -2.941 580 HA TYR 68 HA TYR 68 -6.213 -15.531 -1.069 581 HB2 TYR 68 HB3 TYR 68 -8.392 -14.276 -1.591 582 HB3 TYR 68 HB2 TYR 68 -9.201 -15.498 -0.580 583 HD1 TYR 68 HD1 TYR 68 -6.485 -12.926 -0.501 584 HD2 TYR 68 HD2 TYR 68 -9.321 -15.210 1.742 585 HE1 TYR 68 HE1 TYR 68 -5.956 -11.605 1.510 586 HE2 TYR 68 HE2 TYR 68 -8.793 -13.891 3.757 587 HH TYR 68 HH TYR 68 -7.085 -12.506 4.647 588 H ALA 69 H ALA 69 -8.583 -18.086 -1.406 589 HA ALA 69 HA ALA 69 -8.432 -19.120 1.246 590 HB1 ALA 69 HB1 ALA 69 -9.429 -21.155 0.272 591 HB2 ALA 69 HB2 ALA 69 -9.126 -20.520 -1.362 592 HB3 ALA 69 HB3 ALA 69 -10.272 -19.690 -0.284 593 H GLU 70 H GLU 70 -6.706 -19.732 -1.757 594 HA GLU 70 HA GLU 70 -4.872 -21.633 -0.488 595 HB2 GLU 70 HB3 GLU 70 -4.785 -20.460 -3.288 596 HB3 GLU 70 HB2 GLU 70 -3.980 -21.935 -2.699 597 HG2 GLU 70 HG3 GLU 70 -6.982 -21.645 -2.768 598 HG3 GLU 70 HG2 GLU 70 -6.044 -22.228 -4.164 599 H TYR 71 H TYR 71 -3.009 -20.142 -2.657 600 HA TYR 71 HA TYR 71 -1.028 -18.966 -1.764 601 HB2 TYR 71 HB3 TYR 71 -2.973 -17.579 -3.549 602 HB3 TYR 71 HB2 TYR 71 -1.548 -16.681 -2.973 603 HD1 TYR 71 HD2 TYR 71 -2.542 -19.841 -4.727 604 HD2 TYR 71 HD1 TYR 71 0.507 -16.917 -4.058 605 HE1 TYR 71 HE2 TYR 71 -1.166 -20.875 -6.493 606 HE2 TYR 71 HE1 TYR 71 1.882 -17.944 -5.826 607 HH TYR 71 HH TYR 71 0.642 -20.288 -7.989 608 H GLY 72 H GLY 72 -3.918 -16.875 -1.335 609 HA2 GLY 72 HA3 GLY 72 -4.458 -16.069 0.884 610 HA3 GLY 72 HA2 GLY 72 -2.713 -16.050 1.234 611 HA PRO 73 HA PRO 73 -3.905 -11.742 0.209 612 HB2 PRO 73 HB3 PRO 73 -2.602 -10.566 2.299 613 HB3 PRO 73 HB2 PRO 73 -4.194 -11.336 2.507 614 HG2 PRO 73 HG3 PRO 73 -1.453 -12.424 3.115 615 HG3 PRO 73 HG2 PRO 73 -2.935 -12.487 4.101 616 HD2 PRO 73 HD3 PRO 73 -2.076 -14.578 2.552 617 HD3 PRO 73 HD2 PRO 73 -3.793 -14.283 2.921 618 H LYS 74 H LYS 74 -1.753 -13.319 -0.956 619 HA LYS 74 HA LYS 74 0.678 -11.735 -0.752 620 HB2 LYS 74 HB3 LYS 74 -0.097 -14.097 -2.484 621 HB3 LYS 74 HB2 LYS 74 1.484 -13.282 -2.564 622 HG2 LYS 74 HG3 LYS 74 2.047 -13.954 -0.360 623 HG3 LYS 74 HG2 LYS 74 0.381 -14.481 -0.018 624 HD2 LYS 74 HD3 LYS 74 0.581 -16.312 -1.582 625 HD3 LYS 74 HD2 LYS 74 2.178 -15.734 -2.116 626 HE2 LYS 74 HE3 LYS 74 2.384 -17.625 -0.562 627 HE3 LYS 74 HE2 LYS 74 3.090 -16.140 0.122 628 HZ1 LYS 74 HZ1 LYS 74 1.126 -15.846 1.470 629 HZ2 LYS 74 HZ2 LYS 74 1.759 -17.390 1.734 630 HZ3 LYS 74 HZ3 LYS 74 0.379 -17.198 0.772 631 H TRP 75 H TRP 75 -0.925 -9.937 -1.323 632 HA TRP 75 HA TRP 75 -1.972 -9.375 -3.755 633 HB2 TRP 75 HB3 TRP 75 -0.475 -7.372 -2.067 634 HB3 TRP 75 HB2 TRP 75 -1.694 -7.013 -3.314 635 HD1 TRP 75 HD1 TRP 75 -1.735 -6.578 0.081 636 HE1 TRP 75 HE1 TRP 75 -3.903 -7.288 1.258 637 HE3 TRP 75 HE3 TRP 75 -3.688 -9.629 -3.545 638 HZ2 TRP 75 HZ2 TRP 75 -6.143 -8.900 0.758 639 HZ3 TRP 75 HZ3 TRP 75 -5.862 -10.726 -3.116 640 HH2 TRP 75 HH2 TRP 75 -7.072 -10.361 -0.997 641 H ASN 76 H ASN 76 1.501 -9.138 -3.037 642 HA ASN 76 HA ASN 76 2.153 -7.883 -5.522 643 HB2 ASN 76 HB3 ASN 76 3.545 -8.440 -3.229 644 HB3 ASN 76 HB2 ASN 76 4.248 -9.597 -4.385 645 HD21 ASN 76 HD22 ASN 76 5.373 -7.189 -3.104 646 HD22 ASN 76 HD21 ASN 76 5.930 -6.193 -4.406 647 H LYS 77 H LYS 77 1.279 -11.065 -4.733 648 HA LYS 77 HA LYS 77 2.445 -12.160 -7.215 649 HB2 LYS 77 HB3 LYS 77 1.597 -13.300 -4.623 650 HB3 LYS 77 HB2 LYS 77 1.173 -14.272 -6.054 651 HG2 LYS 77 HG3 LYS 77 3.276 -15.033 -5.174 652 HG3 LYS 77 HG2 LYS 77 3.558 -14.228 -6.737 653 HD2 LYS 77 HD3 LYS 77 4.311 -12.213 -5.608 654 HD3 LYS 77 HD2 LYS 77 3.924 -12.923 -4.022 655 HE2 LYS 77 HE3 LYS 77 6.333 -13.037 -4.510 656 HE3 LYS 77 HE2 LYS 77 5.610 -14.657 -4.363 657 HZ1 LYS 77 HZ1 LYS 77 6.062 -13.304 -6.968 658 HZ2 LYS 77 HZ2 LYS 77 5.654 -14.921 -6.703 659 HZ3 LYS 77 HZ3 LYS 77 7.183 -14.353 -6.260 660 H ILE 78 H ILE 78 -0.652 -11.713 -5.556 661 HA ILE 78 HA ILE 78 -2.254 -12.967 -7.541 662 HB ILE 78 HB ILE 78 -3.103 -10.814 -5.576 663 HG12 ILE 78 HG12 ILE 78 -2.007 -12.604 -4.378 664 HG13 ILE 78 HG13 ILE 78 -3.763 -12.665 -4.097 665 HG21 ILE 78 HG21 ILE 78 -5.331 -11.844 -5.771 666 HG22 ILE 78 HG22 ILE 78 -4.700 -12.963 -7.003 667 HG23 ILE 78 HG23 ILE 78 -4.751 -11.214 -7.331 668 HD11 ILE 78 HD11 ILE 78 -3.956 -14.511 -5.700 669 HD12 ILE 78 HD12 ILE 78 -2.830 -14.905 -4.380 670 HD13 ILE 78 HD13 ILE 78 -2.200 -14.451 -5.981 671 H SER 79 H SER 79 -0.816 -9.824 -7.320 672 HA SER 79 HA SER 79 -2.529 -8.410 -9.087 673 HB2 SER 79 HB3 SER 79 -0.331 -7.006 -9.387 674 HB3 SER 79 HB2 SER 79 -1.175 -7.016 -7.820 675 HG SER 79 HG SER 79 0.405 -8.164 -6.952 676 H LYS 80 H LYS 80 -0.410 -10.965 -9.676 677 HA LYS 80 HA LYS 80 0.448 -10.138 -12.303 678 HB2 LYS 80 HB3 LYS 80 0.772 -12.607 -10.651 679 HB3 LYS 80 HB2 LYS 80 1.015 -12.709 -12.412 680 HG2 LYS 80 HG3 LYS 80 3.137 -12.357 -11.286 681 HG3 LYS 80 HG2 LYS 80 2.716 -10.930 -12.264 682 HD2 LYS 80 HD3 LYS 80 1.643 -10.085 -10.011 683 HD3 LYS 80 HD2 LYS 80 2.759 -11.264 -9.280 684 HE2 LYS 80 HE3 LYS 80 4.658 -10.152 -10.097 685 HE3 LYS 80 HE2 LYS 80 3.715 -9.231 -11.293 686 HZ1 LYS 80 HZ1 LYS 80 3.562 -8.883 -8.337 687 HZ2 LYS 80 HZ2 LYS 80 2.704 -7.990 -9.492 688 HZ3 LYS 80 HZ3 LYS 80 4.389 -7.860 -9.406 689 H PHE 81 H PHE 81 -2.255 -11.896 -10.963 690 HA PHE 81 HA PHE 81 -3.103 -12.895 -13.561 691 HB2 PHE 81 HB3 PHE 81 -4.641 -12.877 -10.948 692 HB3 PHE 81 HB2 PHE 81 -4.930 -13.899 -12.377 693 HD1 PHE 81 HD2 PHE 81 -3.158 -15.611 -13.004 694 HD2 PHE 81 HD1 PHE 81 -3.215 -13.591 -9.235 695 HE1 PHE 81 HE2 PHE 81 -1.709 -17.362 -12.045 696 HE2 PHE 81 HE1 PHE 81 -1.769 -15.339 -8.272 697 HZ PHE 81 HZ PHE 81 -1.014 -17.230 -9.675 698 H LEU 82 H LEU 82 -3.540 -10.124 -11.563 699 HA LEU 82 HA LEU 82 -5.820 -9.226 -13.220 700 HB2 LEU 82 HB3 LEU 82 -5.217 -9.016 -10.364 701 HB3 LEU 82 HB2 LEU 82 -5.619 -7.451 -11.111 702 HG LEU 82 HG LEU 82 -7.592 -8.399 -10.144 703 HD11 LEU 82 HD11 LEU 82 -9.064 -8.496 -12.118 704 HD12 LEU 82 HD12 LEU 82 -7.635 -8.670 -13.165 705 HD13 LEU 82 HD13 LEU 82 -7.878 -7.174 -12.232 706 HD21 LEU 82 HD21 LEU 82 -7.070 -10.842 -11.869 707 HD22 LEU 82 HD22 LEU 82 -8.524 -10.559 -10.881 708 HD23 LEU 82 HD23 LEU 82 -6.938 -10.751 -10.096 709 H LYS 83 H LYS 83 -4.398 -8.605 -14.887 710 HA LYS 83 HA LYS 83 -2.197 -6.864 -14.550 711 HB2 LYS 83 HB3 LYS 83 -2.726 -8.389 -16.510 712 HB3 LYS 83 HB2 LYS 83 -3.839 -7.115 -17.065 713 HG2 LYS 83 HG3 LYS 83 -1.996 -5.539 -17.226 714 HG3 LYS 83 HG2 LYS 83 -0.868 -6.765 -16.597 715 HD2 LYS 83 HD3 LYS 83 -1.319 -8.194 -18.533 716 HD3 LYS 83 HD2 LYS 83 -2.484 -7.000 -19.156 717 HE2 LYS 83 HE3 LYS 83 -0.736 -5.363 -19.443 718 HE3 LYS 83 HE2 LYS 83 0.450 -6.430 -18.653 719 HZ1 LYS 83 HZ1 LYS 83 0.169 -8.007 -20.470 720 HZ2 LYS 83 HZ2 LYS 83 0.665 -6.502 -21.053 721 HZ3 LYS 83 HZ3 LYS 83 -0.944 -6.983 -21.226 722 H ASN 84 H ASN 84 -2.872 -5.232 -13.227 723 HA ASN 84 HA ASN 84 -3.152 -2.715 -14.087 724 HB2 ASN 84 HB3 ASN 84 -5.210 -3.086 -15.277 725 HB3 ASN 84 HB2 ASN 84 -5.959 -3.847 -13.852 726 HD21 ASN 84 HD22 ASN 84 -4.762 -0.809 -15.179 727 HD22 ASN 84 HD21 ASN 84 -5.700 0.222 -14.149 728 H ARG 85 H ARG 85 -4.501 -4.985 -11.780 729 HA ARG 85 HA ARG 85 -4.700 -2.984 -9.686 730 HB2 ARG 85 HB3 ARG 85 -5.007 -5.985 -9.452 731 HB3 ARG 85 HB2 ARG 85 -5.583 -4.739 -8.319 732 HG2 ARG 85 HG3 ARG 85 -6.600 -5.257 -11.126 733 HG3 ARG 85 HG2 ARG 85 -7.442 -5.609 -9.597 734 HD2 ARG 85 HD3 ARG 85 -7.597 -3.263 -9.071 735 HD3 ARG 85 HD2 ARG 85 -6.578 -2.837 -10.468 736 HE ARG 85 HE ARG 85 -8.772 -4.209 -11.472 737 HH11 ARG 85 HH11 ARG 85 -8.161 -1.260 -9.700 738 HH12 ARG 85 HH12 ARG 85 -9.547 -0.436 -10.346 739 HH21 ARG 85 HH22 ARG 85 -10.576 -3.109 -12.351 740 HH22 ARG 85 HH21 ARG 85 -10.910 -1.480 -11.850 741 H SER 86 H SER 86 -3.150 -2.458 -8.326 742 HA SER 86 HA SER 86 -0.734 -4.126 -8.201 743 HB2 SER 86 HB3 SER 86 0.250 -2.006 -7.159 744 HB3 SER 86 HB2 SER 86 -0.177 -1.936 -8.885 745 HG SER 86 HG SER 86 -1.054 -0.390 -6.898 746 H ASP 87 H ASP 87 0.434 -3.866 -6.029 747 HA ASP 87 HA ASP 87 -0.848 -5.311 -4.085 748 HB2 ASP 87 HB3 ASP 87 0.975 -4.327 -2.529 749 HB3 ASP 87 HB2 ASP 87 1.434 -5.340 -3.919 750 H ASN 88 H ASN 88 -0.024 -1.864 -3.437 751 HA ASN 88 HA ASN 88 -1.704 -1.702 -1.186 752 HB2 ASN 88 HB3 ASN 88 0.206 -0.116 -1.947 753 HB3 ASN 88 HB2 ASN 88 -1.090 0.746 -2.812 754 HD21 ASN 88 HD22 ASN 88 -2.430 2.066 -1.670 755 HD22 ASN 88 HD21 ASN 88 -2.343 2.313 0.041 756 H ASN 89 H ASN 89 -2.480 -1.422 -4.560 757 HA ASN 89 HA ASN 89 -4.953 -0.023 -4.216 758 HB2 ASN 89 HB3 ASN 89 -3.934 -0.002 -6.394 759 HB3 ASN 89 HB2 ASN 89 -3.973 -1.779 -6.482 760 HD21 ASN 89 HD22 ASN 89 -5.908 1.142 -6.533 761 HD22 ASN 89 HD21 ASN 89 -7.312 0.437 -7.257 762 H ILE 90 H ILE 90 -4.176 -3.477 -4.698 763 HA ILE 90 HA ILE 90 -6.879 -4.342 -4.362 764 HB ILE 90 HB ILE 90 -4.362 -6.001 -3.956 765 HG12 ILE 90 HG12 ILE 90 -6.004 -5.651 -6.480 766 HG13 ILE 90 HG13 ILE 90 -4.459 -4.825 -6.165 767 HG21 ILE 90 HG21 ILE 90 -5.844 -7.886 -4.540 768 HG22 ILE 90 HG22 ILE 90 -7.222 -6.764 -4.648 769 HG23 ILE 90 HG23 ILE 90 -6.412 -7.031 -3.086 770 HD11 ILE 90 HD11 ILE 90 -3.325 -6.999 -6.032 771 HD12 ILE 90 HD12 ILE 90 -4.146 -6.785 -7.597 772 HD13 ILE 90 HD13 ILE 90 -4.870 -7.824 -6.347 773 H ARG 91 H ARG 91 -4.134 -3.950 -2.184 774 HA ARG 91 HA ARG 91 -5.105 -5.277 0.067 775 HB2 ARG 91 HB3 ARG 91 -2.912 -4.610 0.279 776 HB3 ARG 91 HB2 ARG 91 -3.234 -2.973 -0.345 777 HG2 ARG 91 HG3 ARG 91 -3.526 -2.157 1.704 778 HG3 ARG 91 HG2 ARG 91 -4.642 -3.471 2.148 779 HD2 ARG 91 HD3 ARG 91 -1.644 -3.838 2.062 780 HD3 ARG 91 HD2 ARG 91 -2.499 -3.262 3.513 781 HE ARG 91 HE ARG 91 -2.464 -5.952 2.441 782 HH11 ARG 91 HH11 ARG 91 -4.125 -3.676 4.531 783 HH12 ARG 91 HH12 ARG 91 -4.818 -4.908 5.537 784 HH21 ARG 91 HH22 ARG 91 -3.402 -7.584 3.759 785 HH22 ARG 91 HH21 ARG 91 -4.426 -7.126 5.083 786 H ASN 92 H ASN 92 -5.520 -1.825 -0.762 787 HA ASN 92 HA ASN 92 -7.255 -1.312 1.448 788 HB2 ASN 92 HB3 ASN 92 -6.645 0.208 -1.093 789 HB3 ASN 92 HB2 ASN 92 -7.863 0.771 0.076 790 HD21 ASN 92 HD22 ASN 92 -6.829 2.594 0.753 791 HD22 ASN 92 HD21 ASN 92 -5.325 2.586 1.594 792 H ARG 93 H ARG 93 -7.764 -2.145 -1.936 793 HA ARG 93 HA ARG 93 -10.565 -1.793 -1.986 794 HB2 ARG 93 HB3 ARG 93 -8.580 -2.546 -3.803 795 HB3 ARG 93 HB2 ARG 93 -9.709 -3.921 -3.745 796 HG2 ARG 93 HG3 ARG 93 -10.196 -2.193 -5.505 797 HG3 ARG 93 HG2 ARG 93 -11.543 -2.556 -4.399 798 HD2 ARG 93 HD3 ARG 93 -11.171 -0.106 -4.909 799 HD3 ARG 93 HD2 ARG 93 -11.212 -0.539 -3.183 800 HE ARG 93 HE ARG 93 -8.549 -0.617 -3.953 801 HH11 ARG 93 HH11 ARG 93 -11.106 1.777 -3.840 802 HH12 ARG 93 HH12 ARG 93 -10.023 3.101 -3.525 803 HH21 ARG 93 HH22 ARG 93 -7.129 1.147 -3.529 804 HH22 ARG 93 HH21 ARG 93 -7.786 2.748 -3.355 805 H TRP 94 H TRP 94 -8.609 -4.637 -1.184 806 HA TRP 94 HA TRP 94 -10.680 -6.529 -1.055 807 HB2 TRP 94 HB3 TRP 94 -8.292 -7.100 -1.026 808 HB3 TRP 94 HB2 TRP 94 -8.134 -6.366 0.588 809 HD1 TRP 94 HD1 TRP 94 -8.211 -8.059 2.512 810 HE1 TRP 94 HE1 TRP 94 -9.156 -10.420 2.852 811 HE3 TRP 94 HE3 TRP 94 -10.504 -8.685 -2.027 812 HZ2 TRP 94 HZ2 TRP 94 -10.676 -12.310 1.423 813 HZ3 TRP 94 HZ3 TRP 94 -11.693 -10.809 -2.469 814 HH2 TRP 94 HH2 TRP 94 -11.775 -12.593 -0.765 815 H MET 95 H MET 95 -9.377 -4.366 1.440 816 HA MET 95 HA MET 95 -11.062 -5.301 3.538 817 HB2 MET 95 HB3 MET 95 -8.912 -4.010 3.793 818 HB3 MET 95 HB2 MET 95 -9.798 -2.560 3.264 819 HG2 MET 95 HG3 MET 95 -11.344 -2.883 5.194 820 HG3 MET 95 HG2 MET 95 -10.292 -4.207 5.751 821 HE1 MET 95 HE1 MET 95 -6.919 -2.273 6.438 822 HE2 MET 95 HE2 MET 95 -7.408 -3.047 4.912 823 HE3 MET 95 HE3 MET 95 -7.736 -3.854 6.465 824 H MET 96 H MET 96 -11.313 -2.702 1.162 825 HA MET 96 HA MET 96 -13.678 -1.517 2.215 826 HB2 MET 96 HB3 MET 96 -12.345 -0.180 0.805 827 HB3 MET 96 HB2 MET 96 -12.312 -1.417 -0.475 828 HG2 MET 96 HG3 MET 96 -15.027 -0.634 0.049 829 HG3 MET 96 HG2 MET 96 -14.025 0.810 -0.237 830 HE1 MET 96 HE1 MET 96 -15.862 0.072 -3.687 831 HE2 MET 96 HE2 MET 96 -15.655 1.246 -2.366 832 HE3 MET 96 HE3 MET 96 -16.507 -0.287 -2.067 833 H ILE 97 H ILE 97 -13.169 -3.810 -0.480 834 HA ILE 97 HA ILE 97 -15.931 -4.011 -1.105 835 HB ILE 97 HB ILE 97 -13.862 -4.656 -2.552 836 HG12 ILE 97 HG12 ILE 97 -15.280 -6.216 -3.876 837 HG13 ILE 97 HG13 ILE 97 -16.442 -6.237 -2.528 838 HG21 ILE 97 HG21 ILE 97 -13.424 -7.073 -2.640 839 HG22 ILE 97 HG22 ILE 97 -14.448 -7.306 -1.203 840 HG23 ILE 97 HG23 ILE 97 -12.943 -6.365 -1.079 841 HD11 ILE 97 HD11 ILE 97 -16.787 -3.822 -2.789 842 HD12 ILE 97 HD12 ILE 97 -17.152 -4.702 -4.292 843 HD13 ILE 97 HD13 ILE 97 -15.625 -3.802 -4.137 844 H ALA 98 H ALA 98 -13.882 -5.762 1.139 845 HA ALA 98 HA ALA 98 -15.642 -7.926 1.640 846 HB1 ALA 98 HB1 ALA 98 -14.344 -8.259 3.707 847 HB2 ALA 98 HB2 ALA 98 -13.554 -6.684 3.458 848 HB3 ALA 98 HB3 ALA 98 -13.290 -8.005 2.296 849 H ARG 99 H ARG 99 -15.383 -4.688 3.027 850 HA ARG 99 HA ARG 99 -17.189 -5.103 5.178 851 HB2 ARG 99 HB3 ARG 99 -15.582 -3.211 5.012 852 HB3 ARG 99 HB2 ARG 99 -16.589 -2.514 3.719 853 HG2 ARG 99 HG3 ARG 99 -18.371 -2.076 5.203 854 HG3 ARG 99 HG2 ARG 99 -17.672 -3.108 6.474 855 HD2 ARG 99 HD3 ARG 99 -17.327 -0.800 7.070 856 HD3 ARG 99 HD2 ARG 99 -15.758 -1.524 6.639 857 HE ARG 99 HE ARG 99 -16.142 -0.411 4.395 858 HH11 ARG 99 HH11 ARG 99 -17.478 0.854 7.372 859 HH12 ARG 99 HH12 ARG 99 -17.472 2.503 6.827 860 HH21 ARG 99 HH22 ARG 99 -16.132 1.773 3.665 861 HH22 ARG 99 HH21 ARG 99 -16.713 3.021 4.723 862 H HIS 100 H HIS 100 -17.640 -4.440 1.789 863 HA HIS 100 HA HIS 100 -20.478 -3.817 2.131 864 HB2 HIS 100 HB3 HIS 100 -18.952 -2.689 0.443 865 HB3 HIS 100 HB2 HIS 100 -18.954 -4.227 -0.453 866 HD1 HIS 100 HD1 HIS 100 -20.928 -4.682 -1.957 867 HD2 HIS 100 HD2 HIS 100 -21.526 -1.383 0.523 868 HE1 HIS 100 HE1 HIS 100 -23.031 -3.577 -2.804 869 HE2 HIS 100 HE2 HIS 100 -23.333 -1.546 -1.328 870 H ARG 101 H ARG 101 -18.433 -6.501 1.556 871 HA ARG 101 HA ARG 101 -20.481 -8.159 0.321 872 HB2 ARG 101 HB3 ARG 101 -18.022 -8.261 -0.252 873 HB3 ARG 101 HB2 ARG 101 -17.761 -8.998 1.347 874 HG2 ARG 101 HG3 ARG 101 -17.842 -10.705 -0.371 875 HG3 ARG 101 HG2 ARG 101 -19.242 -10.858 0.718 876 HD2 ARG 101 HD3 ARG 101 -19.559 -9.183 -1.734 877 HD3 ARG 101 HD2 ARG 101 -19.477 -10.949 -1.942 878 HE ARG 101 HE ARG 101 -21.501 -9.521 -0.325 879 HH11 ARG 101 HH11 ARG 101 -20.462 -12.263 -2.234 880 HH12 ARG 101 HH12 ARG 101 -22.002 -13.060 -2.162 881 HH21 ARG 101 HH22 ARG 101 -23.531 -10.536 -0.250 882 HH22 ARG 101 HH21 ARG 101 -23.766 -12.064 -1.037 883 H ALA 102 H ALA 102 -18.974 -7.710 3.461 884 HA ALA 102 HA ALA 102 -20.046 -10.066 4.662 885 HB1 ALA 102 HB1 ALA 102 -19.345 -9.045 6.790 886 HB2 ALA 102 HB2 ALA 102 -19.000 -7.523 5.934 887 HB3 ALA 102 HB3 ALA 102 -18.061 -8.988 5.559 888 H LYS 103 H LYS 103 -21.661 -7.445 3.544 889 HA LYS 103 HA LYS 103 -23.742 -6.567 3.831 890 HB2 LYS 103 HB3 LYS 103 -24.198 -9.071 5.481 891 HB3 LYS 103 HB2 LYS 103 -25.457 -7.998 4.822 892 HG2 LYS 103 HG3 LYS 103 -23.534 -9.176 2.888 893 HG3 LYS 103 HG2 LYS 103 -24.711 -10.278 3.643 894 HD2 LYS 103 HD3 LYS 103 -26.487 -8.540 2.995 895 HD3 LYS 103 HD2 LYS 103 -25.234 -7.831 1.949 896 HE2 LYS 103 HE3 LYS 103 -26.604 -9.368 0.661 897 HE3 LYS 103 HE2 LYS 103 -24.958 -10.025 0.834 898 HZ1 LYS 103 HZ1 LYS 103 -27.399 -10.867 2.307 899 HZ2 LYS 103 HZ2 LYS 103 -25.843 -11.372 2.724 900 HZ3 LYS 103 HZ3 LYS 103 -26.486 -11.782 1.215 901 H HIS 104 H HIS 104 -25.512 -6.651 5.972 902 HA HIS 104 HA HIS 104 -24.151 -5.910 8.386 903 HB2 HIS 104 HB3 HIS 104 -24.827 -3.635 8.569 904 HB3 HIS 104 HB2 HIS 104 -23.892 -3.848 7.068 905 HD1 HIS 104 HD1 HIS 104 -26.872 -2.293 8.315 906 HD2 HIS 104 HD2 HIS 104 -25.746 -4.057 4.714 907 HE1 HIS 104 HE1 HIS 104 -28.509 -1.425 6.603 908 HE2 HIS 104 HE2 HIS 104 -27.905 -2.646 4.476 909 H GLN 105 H GLN 105 -25.253 -7.109 9.695 910 HA GLN 105 HA GLN 105 -28.064 -7.659 9.382 911 HB2 GLN 105 HB3 GLN 105 -26.281 -8.218 11.767 912 HB3 GLN 105 HB2 GLN 105 -27.844 -8.980 11.387 913 HG2 GLN 105 HG3 GLN 105 -26.847 -9.971 9.366 914 HG3 GLN 105 HG2 GLN 105 -25.281 -9.245 9.800 915 HE21 GLN 105 HE22 GLN 105 -25.680 -9.728 12.662 916 HE22 GLN 105 HE21 GLN 105 -25.423 -11.423 12.897 917 H LYS 106 H LYS 106 -29.721 -7.130 10.934 918 HA LYS 106 HA LYS 106 -29.279 -5.143 12.951 919 HB2 LYS 106 HB3 LYS 106 -29.586 -4.160 10.356 920 HB3 LYS 106 HB2 LYS 106 -31.205 -4.011 11.079 921 HG2 LYS 106 HG3 LYS 106 -30.348 -2.667 12.873 922 HG3 LYS 106 HG2 LYS 106 -28.671 -2.949 12.347 923 HD2 LYS 106 HD3 LYS 106 -29.055 -1.726 10.295 924 HD3 LYS 106 HD2 LYS 106 -30.786 -1.559 10.672 925 HE2 LYS 106 HE3 LYS 106 -28.486 -0.379 12.258 926 HE3 LYS 106 HE2 LYS 106 -29.571 0.509 11.161 927 HZ1 LYS 106 HZ1 LYS 106 -30.273 0.790 13.429 928 HZ2 LYS 106 HZ2 LYS 106 -30.351 -0.878 13.674 929 HZ3 LYS 106 HZ3 LYS 106 -31.430 -0.130 12.608 930 H SER 107 H SER 107 -31.779 -6.339 10.700 931 HA SER 107 HA SER 107 -33.243 -7.607 12.832 932 HB2 SER 107 HB3 SER 107 -34.144 -4.994 11.675 933 HB3 SER 107 HB2 SER 107 -35.372 -6.242 11.999 934 HG SER 107 HG SER 107 -33.921 -4.688 13.755 935 H5' DA 1 H5' DA 1 -20.945 19.302 11.936 936 H5'' DA 1 H5'' DA 1 -20.613 18.769 13.595 937 H4' DA 1 H4' DA 1 -21.898 17.063 12.721 938 H3' DA 1 H3' DA 1 -19.500 16.285 13.558 939 H2' DA 1 H2' DA 1 -18.244 16.483 11.549 940 H2'' DA 1 H2'' DA 1 -18.785 14.824 11.364 941 H1' DA 1 H1' DA 1 -20.446 15.364 9.807 942 H8 DA 1 H8 DA 1 -18.124 18.406 10.406 943 H61 DA 1 H61 DA 1 -17.033 19.262 5.766 944 H62 DA 1 H62 DA 1 -17.565 18.565 4.251 945 H2 DA 1 H2 DA 1 -20.523 15.351 5.295 946 HO5' DA 1 HO5' DA 1 -18.583 17.985 12.824 947 H5' DA 2 H5' DA 2 -22.013 13.934 9.872 948 H5'' DA 2 H5'' DA 2 -22.499 12.893 11.224 949 H4' DA 2 H4' DA 2 -22.779 11.544 9.371 950 H3' DA 2 H3' DA 2 -21.049 10.582 11.144 951 H2' DA 2 H2' DA 2 -19.001 11.433 10.305 952 H2'' DA 2 H2'' DA 2 -19.047 9.940 9.384 953 H1' DA 2 H1' DA 2 -19.703 10.981 7.410 954 H8 DA 2 H8 DA 2 -18.435 13.405 10.107 955 H61 DA 2 H61 DA 2 -15.656 16.151 7.230 956 H62 DA 2 H62 DA 2 -15.405 16.221 5.500 957 H2 DA 2 H2 DA 2 -18.053 13.052 3.714 958 H5' DG 3 H5' DG 3 -21.000 9.807 6.417 959 H5'' DG 3 H5'' DG 3 -21.847 8.289 6.770 960 H4' DG 3 H4' DG 3 -21.071 7.945 4.639 961 H3' DG 3 H3' DG 3 -20.062 6.206 6.374 962 H2' DG 3 H2' DG 3 -18.056 7.328 7.008 963 H2'' DG 3 H2'' DG 3 -17.433 6.422 5.640 964 H1' DG 3 H1' DG 3 -17.442 8.248 4.202 965 H8 DG 3 H8 DG 3 -17.786 9.212 7.910 966 H1 DG 3 H1 DG 3 -13.892 12.914 4.404 967 H21 DG 3 H21 DG 3 -15.091 11.072 1.720 968 H22 DG 3 H22 DG 3 -14.035 12.355 2.259 969 H5' DA 4 H5' DA 4 -18.055 7.655 2.359 970 H5'' DA 4 H5'' DA 4 -18.807 6.220 1.636 971 H4' DA 4 H4' DA 4 -17.338 6.884 0.005 972 H3' DA 4 H3' DA 4 -16.766 4.461 0.925 973 H2' DA 4 H2' DA 4 -15.235 4.997 2.681 974 H2'' DA 4 H2'' DA 4 -14.084 4.861 1.361 975 H1' DA 4 H1' DA 4 -13.825 7.140 1.102 976 H8 DA 4 H8 DA 4 -15.579 6.204 4.411 977 H61 DA 4 H61 DA 4 -12.965 9.118 7.288 978 H62 DA 4 H62 DA 4 -11.768 10.355 6.987 979 H2 DA 4 H2 DA 4 -11.288 10.582 2.522 980 H5' DT 5 H5' DT 5 -13.657 7.308 -0.909 981 H5'' DT 5 H5'' DT 5 -13.816 6.505 -2.483 982 H4' DT 5 H4' DT 5 -11.932 7.738 -2.813 983 H3' DT 5 H3' DT 5 -11.400 5.120 -2.856 984 H2' DT 5 H2' DT 5 -10.710 4.755 -0.609 985 H2'' DT 5 H2'' DT 5 -9.155 5.219 -1.281 986 H1' DT 5 H1' DT 5 -9.229 7.376 -0.426 987 H3 DT 5 H3 DT 5 -9.407 7.817 3.992 988 H71 DT 5 H71 DT 5 -13.191 4.844 4.017 989 H72 DT 5 H72 DT 5 -11.814 3.717 4.065 990 H73 DT 5 H73 DT 5 -12.802 3.852 2.591 991 H6 DT 5 H6 DT 5 -11.828 5.107 0.900 992 H5' DA 6 H5' DA 6 -8.159 8.325 -1.734 993 H5'' DA 6 H5'' DA 6 -7.668 8.315 -3.440 994 H4' DA 6 H4' DA 6 -5.885 9.319 -2.404 995 H3' DA 6 H3' DA 6 -5.295 7.011 -3.624 996 H2' DA 6 H2' DA 6 -5.313 5.479 -1.825 997 H2'' DA 6 H2'' DA 6 -3.669 6.055 -1.606 998 H1' DA 6 H1' DA 6 -4.185 7.400 0.190 999 H8 DA 6 H8 DA 6 -6.926 4.823 -0.628 1000 H61 DA 6 H61 DA 6 -8.029 3.674 3.972 1001 H62 DA 6 H62 DA 6 -7.545 4.323 5.522 1002 H2 DA 6 H2 DA 6 -4.702 7.698 4.661 1003 H5' DA 7 H5' DA 7 -2.996 8.794 0.073 1004 H5'' DA 7 H5'' DA 7 -2.054 9.669 -1.147 1005 H4' DA 7 H4' DA 7 -0.712 9.919 0.661 1006 H3' DA 7 H3' DA 7 0.426 8.352 -1.180 1007 H2' DA 7 H2' DA 7 -0.075 6.192 -0.381 1008 H2'' DA 7 H2'' DA 7 1.349 6.457 0.609 1009 H1' DA 7 H1' DA 7 0.175 6.878 2.530 1010 H8 DA 7 H8 DA 7 -1.745 5.149 -0.276 1011 H61 DA 7 H61 DA 7 -4.312 2.084 2.496 1012 H62 DA 7 H62 DA 7 -4.576 1.972 4.221 1013 H2 DA 7 H2 DA 7 -2.224 5.273 6.128 1014 H5' DC 8 H5' DC 8 1.413 8.599 3.423 1015 H5'' DC 8 H5'' DC 8 2.761 9.657 2.963 1016 H4' DC 8 H4' DC 8 3.208 9.113 5.155 1017 H3' DC 8 H3' DC 8 5.119 8.337 3.446 1018 H2' DC 8 H2' DC 8 4.629 6.060 3.115 1019 H2'' DC 8 H2'' DC 8 5.466 5.850 4.642 1020 H1' DC 8 H1' DC 8 3.569 5.511 5.863 1021 H41 DC 8 H41 DC 8 0.204 2.157 1.238 1022 H42 DC 8 H42 DC 8 -0.393 1.611 2.789 1023 H5 DC 8 H5 DC 8 1.842 3.932 1.016 1024 H6 DC 8 H6 DC 8 3.180 5.575 2.216 1025 H5' DG 9 H5' DG 9 4.227 7.138 8.040 1026 H5'' DG 9 H5'' DG 9 5.664 8.081 8.482 1027 H4' DG 9 H4' DG 9 5.105 6.788 10.360 1028 H3' DG 9 H3' DG 9 7.613 6.576 9.465 1029 H2' DG 9 H2' DG 9 7.510 4.651 8.110 1030 H2'' DG 9 H2'' DG 9 7.735 3.826 9.641 1031 H1' DG 9 H1' DG 9 5.525 3.151 9.784 1032 H8 DG 9 H8 DG 9 6.345 4.712 6.374 1033 H1 DG 9 H1 DG 9 2.659 -0.524 6.201 1034 H21 DG 9 H21 DG 9 2.639 -0.239 9.660 1035 H22 DG 9 H22 DG 9 2.087 -1.130 8.262 1036 H5' DA 10 H5' DA 10 5.306 3.310 11.522 1037 H5'' DA 10 H5'' DA 10 5.906 3.753 13.129 1038 H4' DA 10 H4' DA 10 5.089 1.677 13.546 1039 H3' DA 10 H3' DA 10 7.749 1.775 13.779 1040 H2' DA 10 H2' DA 10 8.465 0.958 11.672 1041 H2'' DA 10 H2'' DA 10 8.235 -0.599 12.449 1042 H1' DA 10 H1' DA 10 6.248 -1.049 11.403 1043 H8 DA 10 H8 DA 10 8.002 1.970 9.695 1044 H61 DA 10 H61 DA 10 7.514 0.325 5.132 1045 H62 DA 10 H62 DA 10 6.677 -1.046 4.439 1046 H2 DA 10 H2 DA 10 4.774 -3.257 7.850 1047 H5' DT 11 H5' DT 11 5.183 -2.050 13.188 1048 H5'' DT 11 H5'' DT 11 5.240 -2.262 14.950 1049 H4' DT 11 H4' DT 11 4.383 -4.265 14.234 1050 H3' DT 11 H3' DT 11 6.749 -4.502 15.462 1051 H2' DT 11 H2' DT 11 8.235 -4.565 13.618 1052 H2'' DT 11 H2'' DT 11 7.839 -6.274 13.663 1053 H1' DT 11 H1' DT 11 6.376 -6.169 11.867 1054 H3 DT 11 H3 DT 11 7.903 -4.755 7.949 1055 H71 DT 11 H71 DT 11 9.959 -1.531 11.781 1056 H72 DT 11 H72 DT 11 11.034 -2.138 10.500 1057 H73 DT 11 H73 DT 11 9.786 -0.930 10.114 1058 H6 DT 11 H6 DT 11 8.406 -3.136 12.409 1059 H5' DA 12 H5' DA 12 5.011 -7.437 12.414 1060 H5'' DA 12 H5'' DA 12 4.378 -8.503 13.682 1061 H4' DA 12 H4' DA 12 4.255 -9.818 11.795 1062 H3' DA 12 H3' DA 12 5.852 -10.846 13.654 1063 H2' DA 12 H2' DA 12 7.953 -9.943 13.003 1064 H2'' DA 12 H2'' DA 12 7.990 -11.414 12.044 1065 H1' DA 12 H1' DA 12 7.446 -10.329 10.055 1066 H8 DA 12 H8 DA 12 8.517 -7.838 12.808 1067 H61 DA 12 H61 DA 12 11.525 -5.196 10.040 1068 H62 DA 12 H62 DA 12 11.910 -5.210 8.335 1069 H2 DA 12 H2 DA 12 9.410 -8.448 6.482 1070 H5' DT 13 H5' DT 13 6.505 -11.571 9.154 1071 H5'' DT 13 H5'' DT 13 5.443 -12.983 9.302 1072 H4' DT 13 H4' DT 13 6.362 -13.469 7.303 1073 H3' DT 13 H3' DT 13 7.333 -15.182 9.084 1074 H2' DT 13 H2' DT 13 9.268 -13.972 9.815 1075 H2'' DT 13 H2'' DT 13 9.985 -14.908 8.515 1076 H1' DT 13 H1' DT 13 9.978 -13.136 6.997 1077 H3 DT 13 H3 DT 13 12.409 -9.553 7.975 1078 H71 DT 13 H71 DT 13 10.052 -9.761 12.369 1079 H72 DT 13 H72 DT 13 11.751 -10.270 12.501 1080 H73 DT 13 H73 DT 13 10.451 -11.482 12.578 1081 H6 DT 13 H6 DT 13 9.417 -12.246 10.537 1082 H5' DT 14 H5' DT 14 9.544 -13.876 5.263 1083 H5'' DT 14 H5'' DT 14 8.801 -15.283 4.481 1084 H4' DT 14 H4' DT 14 10.308 -14.669 2.888 1085 H3' DT 14 H3' DT 14 10.959 -17.027 3.939 1086 H2' DT 14 H2' DT 14 12.466 -16.398 5.659 1087 H2'' DT 14 H2'' DT 14 13.629 -16.488 4.345 1088 H1' DT 14 H1' DT 14 13.766 -14.207 4.067 1089 H3 DT 14 H3 DT 14 15.073 -11.655 7.436 1090 H71 DT 14 H71 DT 14 13.014 -14.516 10.464 1091 H72 DT 14 H72 DT 14 11.434 -13.862 9.978 1092 H73 DT 14 H73 DT 14 11.913 -15.499 9.469 1093 H6 DT 14 H6 DT 14 11.882 -15.191 7.102 1094 H5' DT 15 H5' DT 15 13.927 -14.098 2.315 1095 H5'' DT 15 H5'' DT 15 13.732 -14.799 0.700 1096 H4' DT 15 H4' DT 15 15.558 -13.541 0.312 1097 H3' DT 15 H3' DT 15 16.238 -16.109 0.286 1098 H2' DT 15 H2' DT 15 16.920 -16.431 2.537 1099 H2'' DT 15 H2'' DT 15 18.460 -15.918 1.872 1100 H1' DT 15 H1' DT 15 18.312 -13.762 2.717 1101 H3 DT 15 H3 DT 15 18.034 -13.229 7.114 1102 H71 DT 15 H71 DT 15 14.793 -17.339 5.761 1103 H72 DT 15 H72 DT 15 15.772 -17.415 7.244 1104 H73 DT 15 H73 DT 15 14.367 -16.328 7.163 1105 H6 DT 15 H6 DT 15 15.780 -16.112 4.051 1106 H5' DA 16 H5' DA 16 18.969 -12.530 1.408 1107 H5'' DA 16 H5'' DA 16 19.494 -12.482 -0.286 1108 H4' DA 16 H4' DA 16 21.053 -11.147 0.721 1109 H3' DA 16 H3' DA 16 22.143 -13.332 -0.329 1110 HO3' DA 16 HO3' DA 16 23.376 -11.351 1.286 1111 H2' DA 16 H2' DA 16 22.144 -14.799 1.543 1112 H2'' DA 16 H2'' DA 16 23.700 -14.025 1.806 1113 H1' DA 16 H1' DA 16 22.906 -12.644 3.515 1114 H8 DA 16 H8 DA 16 20.411 -15.472 2.664 1115 H61 DA 16 H61 DA 16 19.431 -16.795 7.235 1116 H62 DA 16 H62 DA 16 19.895 -16.165 8.798 1117 H2 DA 16 H2 DA 16 22.484 -12.580 8.004 1118 H5' DT 17 H5' DT 17 23.847 -15.138 15.764 1119 H5'' DT 17 H5'' DT 17 23.811 -14.368 17.361 1120 H4' DT 17 H4' DT 17 24.673 -12.689 16.085 1121 H3' DT 17 H3' DT 17 22.283 -12.034 17.050 1122 H2' DT 17 H2' DT 17 20.874 -12.729 15.263 1123 H2'' DT 17 H2'' DT 17 21.191 -11.087 14.730 1124 H1' DT 17 H1' DT 17 22.761 -11.733 13.123 1125 H3 DT 17 H3 DT 17 21.200 -14.358 9.881 1126 H71 DT 17 H71 DT 17 19.249 -17.313 12.758 1127 H72 DT 17 H72 DT 17 20.242 -17.139 14.222 1128 H73 DT 17 H73 DT 17 18.749 -16.190 14.043 1129 H6 DT 17 H6 DT 17 21.025 -14.634 14.640 1130 HO5' DT 17 HO5' DT 17 21.842 -15.487 16.688 1131 H5' DA 18 H5' DA 18 24.124 -10.306 12.937 1132 H5'' DA 18 H5'' DA 18 24.649 -8.933 13.932 1133 H4' DA 18 H4' DA 18 24.763 -8.102 11.784 1134 H3' DA 18 H3' DA 18 23.050 -6.769 13.327 1135 H2' DA 18 H2' DA 18 21.020 -7.893 12.844 1136 H2'' DA 18 H2'' DA 18 20.957 -6.708 11.552 1137 H1' DA 18 H1' DA 18 21.611 -8.208 9.906 1138 H8 DA 18 H8 DA 18 20.564 -9.960 13.186 1139 H61 DA 18 H61 DA 18 17.803 -13.401 11.152 1140 H62 DA 18 H62 DA 18 17.476 -13.867 9.498 1141 H2 DA 18 H2 DA 18 19.858 -11.066 6.905 1142 H5' DA 19 H5' DA 19 22.812 -7.382 8.706 1143 H5'' DA 19 H5'' DA 19 23.711 -5.860 8.567 1144 H4' DA 19 H4' DA 19 22.969 -6.119 6.430 1145 H3' DA 19 H3' DA 19 21.880 -3.984 7.571 1146 H2' DA 19 H2' DA 19 19.884 -4.922 8.464 1147 H2'' DA 19 H2'' DA 19 19.273 -4.472 6.883 1148 H1' DA 19 H1' DA 19 19.343 -6.634 6.041 1149 H8 DA 19 H8 DA 19 19.711 -6.517 9.883 1150 H61 DA 19 H61 DA 19 16.431 -9.940 10.902 1151 H62 DA 19 H62 DA 19 15.488 -11.045 9.930 1152 H2 DA 19 H2 DA 19 16.618 -10.225 5.650 1153 H5' DA 20 H5' DA 20 19.973 -6.622 4.055 1154 H5'' DA 20 H5'' DA 20 20.648 -5.385 2.977 1155 H4' DA 20 H4' DA 20 19.140 -6.490 1.626 1156 H3' DA 20 H3' DA 20 18.573 -3.907 1.923 1157 H2' DA 20 H2' DA 20 17.091 -3.972 3.790 1158 H2'' DA 20 H2'' DA 20 15.903 -4.207 2.517 1159 H1' DA 20 H1' DA 20 15.677 -6.474 2.889 1160 H8 DA 20 H8 DA 20 17.574 -4.740 5.781 1161 H61 DA 20 H61 DA 20 15.040 -6.750 9.412 1162 H62 DA 20 H62 DA 20 13.806 -7.989 9.481 1163 H2 DA 20 H2 DA 20 13.113 -9.321 5.239 1164 H5' DT 21 H5' DT 21 15.503 -7.165 1.007 1165 H5'' DT 21 H5'' DT 21 15.585 -6.804 -0.728 1166 H4' DT 21 H4' DT 21 13.718 -8.096 -0.663 1167 H3' DT 21 H3' DT 21 13.112 -5.574 -1.310 1168 H2' DT 21 H2' DT 21 12.527 -4.708 0.832 1169 H2'' DT 21 H2'' DT 21 10.952 -5.311 0.347 1170 H1' DT 21 H1' DT 21 11.096 -7.247 1.649 1171 H3 DT 21 H3 DT 21 11.285 -6.537 6.046 1172 H71 DT 21 H71 DT 21 13.954 -2.801 5.401 1173 H72 DT 21 H72 DT 21 15.325 -3.854 4.987 1174 H73 DT 21 H73 DT 21 14.499 -2.926 3.713 1175 H6 DT 21 H6 DT 21 13.752 -4.763 2.367 1176 H5' DA 22 H5' DA 22 9.862 -8.753 0.068 1177 H5'' DA 22 H5'' DA 22 9.312 -8.889 -1.613 1178 H4' DA 22 H4' DA 22 7.590 -9.847 -0.414 1179 H3' DA 22 H3' DA 22 6.871 -7.684 -1.815 1180 H2' DA 22 H2' DA 22 6.972 -5.976 -0.190 1181 H2'' DA 22 H2'' DA 22 5.356 -6.546 0.191 1182 H1' DA 22 H1' DA 22 6.014 -7.684 2.085 1183 H8 DA 22 H8 DA 22 8.965 -5.473 0.862 1184 H61 DA 22 H61 DA 22 9.908 -3.468 5.177 1185 H62 DA 22 H62 DA 22 9.276 -3.705 6.793 1186 H2 DA 22 H2 DA 22 6.164 -6.938 6.442 1187 H5' DT 23 H5' DT 23 4.900 -9.002 1.927 1188 H5'' DT 23 H5'' DT 23 3.704 -10.008 1.093 1189 H4' DT 23 H4' DT 23 2.773 -9.903 3.162 1190 H3' DT 23 H3' DT 23 1.320 -8.581 1.336 1191 H2' DT 23 H2' DT 23 2.012 -6.346 1.670 1192 H2'' DT 23 H2'' DT 23 0.791 -6.396 2.935 1193 H1' DT 23 H1' DT 23 2.316 -6.615 4.652 1194 H3 DT 23 H3 DT 23 5.236 -3.308 5.157 1195 H71 DT 23 H71 DT 23 4.955 -4.444 -0.112 1196 H72 DT 23 H72 DT 23 6.572 -4.072 0.533 1197 H73 DT 23 H73 DT 23 5.323 -2.807 0.481 1198 H6 DT 23 H6 DT 23 3.923 -5.915 1.383 1199 H5' DC 24 H5' DC 24 1.243 -7.601 5.748 1200 H5'' DC 24 H5'' DC 24 -0.062 -8.784 5.960 1201 H4' DC 24 H4' DC 24 -0.205 -7.672 7.934 1202 H3' DC 24 H3' DC 24 -2.317 -7.167 6.341 1203 H2' DC 24 H2' DC 24 -1.810 -5.065 5.447 1204 H2'' DC 24 H2'' DC 24 -2.420 -4.474 6.982 1205 H1' DC 24 H1' DC 24 -0.323 -4.023 7.833 1206 H41 DC 24 H41 DC 24 2.364 -1.727 2.119 1207 H42 DC 24 H42 DC 24 2.844 -0.785 3.470 1208 H5 DC 24 H5 DC 24 0.908 -3.801 2.558 1209 H6 DC 24 H6 DC 24 -0.211 -5.121 4.287 1210 H5' DG 25 H5' DG 25 -1.260 -3.835 9.440 1211 H5'' DG 25 H5'' DG 25 -2.063 -4.985 10.529 1212 H4' DG 25 H4' DG 25 -2.184 -3.087 11.772 1213 H3' DG 25 H3' DG 25 -4.615 -3.845 10.985 1214 H2' DG 25 H2' DG 25 -4.941 -2.567 9.026 1215 H2'' DG 25 H2'' DG 25 -5.438 -1.328 10.164 1216 H1' DG 25 H1' DG 25 -3.516 -0.110 9.970 1217 H8 DG 25 H8 DG 25 -4.374 -2.499 7.232 1218 H1 DG 25 H1 DG 25 -0.204 2.039 5.448 1219 H21 DG 25 H21 DG 25 0.066 2.691 8.855 1220 H22 DG 25 H22 DG 25 0.581 3.103 7.241 1221 H5' DT 26 H5' DT 26 -3.074 0.067 11.851 1222 H5'' DT 26 H5'' DT 26 -3.480 -0.079 13.572 1223 H4' DT 26 H4' DT 26 -2.809 2.062 13.578 1224 H3' DT 26 H3' DT 26 -5.463 2.006 13.860 1225 H2' DT 26 H2' DT 26 -6.191 2.321 11.625 1226 H2'' DT 26 H2'' DT 26 -5.988 4.014 12.046 1227 H1' DT 26 H1' DT 26 -4.002 4.255 10.900 1228 H3 DT 26 H3 DT 26 -3.814 3.252 6.541 1229 H71 DT 26 H71 DT 26 -6.906 -0.449 8.982 1230 H72 DT 26 H72 DT 26 -6.015 -0.890 7.507 1231 H73 DT 26 H73 DT 26 -7.405 0.215 7.410 1232 H6 DT 26 H6 DT 26 -5.801 1.101 10.305 1233 H5' DT 27 H5' DT 27 -3.207 5.447 12.283 1234 H5'' DT 27 H5'' DT 27 -3.003 6.155 13.897 1235 H4' DT 27 H4' DT 27 -2.276 7.883 12.635 1236 H3' DT 27 H3' DT 27 -4.593 8.490 13.793 1237 H2' DT 27 H2' DT 27 -6.131 7.897 12.083 1238 H2'' DT 27 H2'' DT 27 -5.824 9.554 11.592 1239 H1' DT 27 H1' DT 27 -4.385 8.958 9.857 1240 H3 DT 27 H3 DT 27 -5.923 6.352 6.585 1241 H71 DT 27 H71 DT 27 -8.801 4.310 9.709 1242 H72 DT 27 H72 DT 27 -7.917 4.489 11.244 1243 H73 DT 27 H73 DT 27 -7.391 3.281 10.050 1244 H6 DT 27 H6 DT 27 -6.277 6.149 11.341 1245 H5' DA 28 H5' DA 28 -3.163 10.342 9.709 1246 H5'' DA 28 H5'' DA 28 -2.430 11.610 10.710 1247 H4' DA 28 H4' DA 28 -2.428 12.629 8.679 1248 H3' DA 28 H3' DA 28 -4.082 13.857 10.355 1249 H2' DA 28 H2' DA 28 -6.141 12.792 9.868 1250 H2'' DA 28 H2'' DA 28 -6.225 14.059 8.655 1251 H1' DA 28 H1' DA 28 -5.679 12.649 6.900 1252 H8 DA 28 H8 DA 28 -6.539 10.700 10.116 1253 H61 DA 28 H61 DA 28 -9.447 7.408 8.042 1254 H62 DA 28 H62 DA 28 -9.863 7.040 6.384 1255 H2 DA 28 H2 DA 28 -7.563 9.937 3.827 1256 H5' DT 29 H5' DT 29 -4.716 13.863 5.922 1257 H5'' DT 29 H5'' DT 29 -3.690 15.301 5.773 1258 H4' DT 29 H4' DT 29 -4.586 15.329 3.711 1259 H3' DT 29 H3' DT 29 -5.658 17.337 5.087 1260 H2' DT 29 H2' DT 29 -7.597 16.275 5.977 1261 H2'' DT 29 H2'' DT 29 -8.278 16.861 4.470 1262 H1' DT 29 H1' DT 29 -8.186 14.790 3.415 1263 H3 DT 29 H3 DT 29 -10.544 11.472 5.198 1264 H71 DT 29 H71 DT 29 -8.457 12.437 9.428 1265 H72 DT 29 H72 DT 29 -8.205 14.187 9.244 1266 H73 DT 29 H73 DT 29 -9.853 13.540 9.423 1267 H6 DT 29 H6 DT 29 -7.598 14.727 7.070 1268 H5' DC 30 H5' DC 30 -7.612 15.229 1.673 1269 H5'' DC 30 H5'' DC 30 -6.891 16.376 0.529 1270 H4' DC 30 H4' DC 30 -8.309 15.241 -0.840 1271 H3' DC 30 H3' DC 30 -9.068 17.773 -0.609 1272 H2' DC 30 H2' DC 30 -10.596 17.640 1.207 1273 H2'' DC 30 H2'' DC 30 -11.721 17.320 -0.103 1274 H1' DC 30 H1' DC 30 -11.807 15.033 0.303 1275 H41 DC 30 H41 DC 30 -11.934 15.460 6.908 1276 H42 DC 30 H42 DC 30 -13.024 14.183 6.444 1277 H5 DC 30 H5 DC 30 -10.572 16.687 5.299 1278 H6 DC 30 H6 DC 30 -10.000 16.915 2.939 1279 H5' DT 31 H5' DT 31 -12.278 14.474 -1.435 1280 H5'' DT 31 H5'' DT 31 -11.968 14.741 -3.160 1281 H4' DT 31 H4' DT 31 -13.949 13.691 -3.339 1282 H3' DT 31 H3' DT 31 -14.306 16.240 -3.964 1283 H2' DT 31 H2' DT 31 -14.900 17.163 -1.852 1284 H2'' DT 31 H2'' DT 31 -16.506 16.710 -2.400 1285 H1' DT 31 H1' DT 31 -16.627 14.831 -1.059 1286 H3 DT 31 H3 DT 31 -16.132 15.104 3.344 1287 H71 DT 31 H71 DT 31 -12.265 17.923 2.540 1288 H72 DT 31 H72 DT 31 -12.842 18.728 1.062 1289 H73 DT 31 H73 DT 31 -13.641 19.048 2.620 1290 H6 DT 31 H6 DT 31 -13.868 17.160 -0.317 1291 H5' DT 32 H5' DT 32 -17.614 13.701 -2.169 1292 H5'' DT 32 H5'' DT 32 -18.204 13.249 -3.780 1293 H4' DT 32 H4' DT 32 -19.983 12.598 -2.570 1294 H3' DT 32 H3' DT 32 -20.641 14.756 -3.978 1295 HO3' DT 32 HO3' DT 32 -21.933 12.902 -3.251 1296 H2' DT 32 H2' DT 32 -20.223 16.482 -2.388 1297 H2'' DT 32 H2'' DT 32 -21.894 16.124 -1.979 1298 H1' DT 32 H1' DT 32 -21.337 14.878 -0.084 1299 H3 DT 32 H3 DT 32 -19.040 16.830 3.197 1300 H71 DT 32 H71 DT 32 -16.949 18.505 -1.498 1301 H72 DT 32 H72 DT 32 -15.984 18.565 -0.005 1302 H73 DT 32 H73 DT 32 -17.316 19.717 -0.249 1303 H6 DT 32 H6 DT 32 -18.616 16.885 -1.555 Start of MODEL 9 1 H1 LYS 1 H1 LYS 1 3.117 16.821 7.746 2 H2 LYS 1 H2 LYS 1 2.720 18.031 8.852 3 H3 LYS 1 H3 LYS 1 1.503 17.277 7.951 4 HA LYS 1 HA LYS 1 3.147 16.144 10.137 5 HB2 LYS 1 HB3 LYS 1 1.290 17.243 11.036 6 HB3 LYS 1 HB2 LYS 1 0.215 16.694 9.728 7 HG2 LYS 1 HG3 LYS 1 0.147 14.476 10.612 8 HG3 LYS 1 HG2 LYS 1 1.430 14.844 11.790 9 HD2 LYS 1 HD3 LYS 1 0.005 16.307 13.021 10 HD3 LYS 1 HD2 LYS 1 -1.230 16.290 11.739 11 HE2 LYS 1 HE3 LYS 1 -1.819 14.881 13.706 12 HE3 LYS 1 HE2 LYS 1 -1.737 13.972 12.177 13 HZ1 LYS 1 HZ1 LYS 1 0.543 14.105 14.067 14 HZ2 LYS 1 HZ2 LYS 1 0.298 13.021 12.794 15 HZ3 LYS 1 HZ3 LYS 1 -0.660 12.923 14.181 16 H VAL 2 H VAL 2 0.855 15.324 7.527 17 HA VAL 2 HA VAL 2 1.262 12.482 7.986 18 HB VAL 2 HB VAL 2 -0.249 12.165 6.041 19 HG11 VAL 2 HG11 VAL 2 -2.271 13.043 7.137 20 HG12 VAL 2 HG12 VAL 2 -1.254 14.076 8.171 21 HG13 VAL 2 HG13 VAL 2 -1.150 12.304 8.305 22 HG21 VAL 2 HG21 VAL 2 -0.368 15.198 6.041 23 HG22 VAL 2 HG22 VAL 2 -1.415 14.117 5.092 24 HG23 VAL 2 HG23 VAL 2 0.334 14.171 4.768 25 H LYS 3 H LYS 3 3.035 14.804 6.483 26 HA LYS 3 HA LYS 3 4.756 14.829 5.020 27 HB2 LYS 3 HB3 LYS 3 4.570 11.858 5.473 28 HB3 LYS 3 HB2 LYS 3 5.801 12.601 4.423 29 HG2 LYS 3 HG3 LYS 3 7.006 13.373 6.163 30 HG3 LYS 3 HG2 LYS 3 5.561 13.790 7.115 31 HD2 LYS 3 HD3 LYS 3 6.458 10.933 6.683 32 HD3 LYS 3 HD2 LYS 3 7.051 11.930 8.034 33 HE2 LYS 3 HE3 LYS 3 4.762 12.256 8.825 34 HE3 LYS 3 HE2 LYS 3 4.135 11.320 7.447 35 HZ1 LYS 3 HZ1 LYS 3 5.731 10.346 9.750 36 HZ2 LYS 3 HZ2 LYS 3 5.555 9.441 8.330 37 HZ3 LYS 3 HZ3 LYS 3 4.193 9.850 9.248 38 H PHE 4 H PHE 4 5.506 14.004 2.816 39 HA PHE 4 HA PHE 4 5.184 13.855 0.593 40 HB2 PHE 4 HB3 PHE 4 3.953 11.680 1.516 41 HB3 PHE 4 HB2 PHE 4 2.558 12.499 0.773 42 HD1 PHE 4 HD2 PHE 4 6.082 11.495 0.026 43 HD2 PHE 4 HD1 PHE 4 2.157 12.225 -1.499 44 HE1 PHE 4 HE2 PHE 4 6.797 10.688 -2.191 45 HE2 PHE 4 HE1 PHE 4 2.866 11.421 -3.717 46 HZ PHE 4 HZ PHE 4 5.188 10.648 -4.068 47 H THR 5 H THR 5 3.412 14.173 -1.190 48 HA THR 5 HA THR 5 1.172 15.701 -1.010 49 HB THR 5 HB THR 5 2.745 17.365 0.200 50 HG1 THR 5 HG1 THR 5 0.900 18.292 -0.397 51 HG21 THR 5 HG21 THR 5 4.661 17.193 -1.326 52 HG22 THR 5 HG22 THR 5 4.038 18.859 -1.267 53 HG23 THR 5 HG23 THR 5 3.663 17.817 -2.660 54 H GLU 6 H GLU 6 0.873 17.018 -3.144 55 HA GLU 6 HA GLU 6 1.402 15.276 -5.296 56 HB2 GLU 6 HB3 GLU 6 0.588 18.191 -5.343 57 HB3 GLU 6 HB2 GLU 6 0.535 17.079 -6.733 58 HG2 GLU 6 HG3 GLU 6 -1.086 15.680 -5.561 59 HG3 GLU 6 HG2 GLU 6 -1.025 16.776 -4.159 60 H GLU 7 H GLU 7 2.938 18.344 -4.388 61 HA GLU 7 HA GLU 7 4.647 18.674 -6.553 62 HB2 GLU 7 HB3 GLU 7 5.258 19.310 -3.656 63 HB3 GLU 7 HB2 GLU 7 6.006 20.047 -5.093 64 HG2 GLU 7 HG3 GLU 7 4.092 21.262 -5.621 65 HG3 GLU 7 HG2 GLU 7 3.040 20.223 -4.630 66 H GLU 8 H GLU 8 5.137 16.709 -3.637 67 HA GLU 8 HA GLU 8 7.840 16.028 -4.251 68 HB2 GLU 8 HB3 GLU 8 5.902 14.551 -2.454 69 HB3 GLU 8 HB2 GLU 8 7.674 14.384 -2.482 70 HG2 GLU 8 HG3 GLU 8 5.971 16.592 -1.393 71 HG3 GLU 8 HG2 GLU 8 7.337 15.728 -0.646 72 H ASP 9 H ASP 9 4.735 14.660 -5.108 73 HA ASP 9 HA ASP 9 5.743 12.124 -5.981 74 HB2 ASP 9 HB3 ASP 9 3.299 12.801 -5.403 75 HB3 ASP 9 HB2 ASP 9 3.238 13.381 -7.085 76 H LEU 10 H LEU 10 5.198 15.246 -7.493 77 HA LEU 10 HA LEU 10 5.615 14.484 -10.185 78 HB2 LEU 10 HB3 LEU 10 6.299 17.111 -8.831 79 HB3 LEU 10 HB2 LEU 10 6.143 16.840 -10.583 80 HG LEU 10 HG LEU 10 3.894 16.561 -8.581 81 HD11 LEU 10 HD11 LEU 10 3.070 18.689 -9.513 82 HD12 LEU 10 HD12 LEU 10 4.548 18.826 -10.494 83 HD13 LEU 10 HD13 LEU 10 4.650 18.881 -8.718 84 HD21 LEU 10 HD21 LEU 10 3.916 16.599 -11.617 85 HD22 LEU 10 HD22 LEU 10 2.464 16.550 -10.589 86 HD23 LEU 10 HD23 LEU 10 3.606 15.185 -10.582 87 H LYS 11 H LYS 11 7.811 15.532 -7.618 88 HA LYS 11 HA LYS 11 10.195 15.468 -9.156 89 HB2 LYS 11 HB3 LYS 11 9.896 15.013 -6.173 90 HB3 LYS 11 HB2 LYS 11 11.367 15.516 -7.041 91 HG2 LYS 11 HG3 LYS 11 10.418 17.656 -7.548 92 HG3 LYS 11 HG2 LYS 11 8.829 17.157 -6.919 93 HD2 LYS 11 HD3 LYS 11 9.995 16.767 -4.687 94 HD3 LYS 11 HD2 LYS 11 11.394 17.621 -5.381 95 HE2 LYS 11 HE3 LYS 11 10.120 19.623 -5.686 96 HE3 LYS 11 HE2 LYS 11 8.600 18.786 -5.286 97 HZ1 LYS 11 HZ1 LYS 11 9.506 18.405 -3.031 98 HZ2 LYS 11 HZ2 LYS 11 9.332 20.050 -3.403 99 HZ3 LYS 11 HZ3 LYS 11 10.863 19.343 -3.436 100 H LEU 12 H LEU 12 8.390 13.042 -7.384 101 HA LEU 12 HA LEU 12 10.314 11.019 -7.204 102 HB2 LEU 12 HB3 LEU 12 8.072 11.026 -6.116 103 HB3 LEU 12 HB2 LEU 12 7.358 10.630 -7.698 104 HG LEU 12 HG LEU 12 8.682 8.531 -7.710 105 HD11 LEU 12 HD11 LEU 12 9.668 7.741 -5.595 106 HD12 LEU 12 HD12 LEU 12 9.329 9.322 -4.852 107 HD13 LEU 12 HD13 LEU 12 10.484 9.201 -6.200 108 HD21 LEU 12 HD21 LEU 12 6.836 8.933 -5.336 109 HD22 LEU 12 HD22 LEU 12 7.278 7.366 -6.055 110 HD23 LEU 12 HD23 LEU 12 6.344 8.548 -7.003 111 H GLN 13 H GLN 13 7.933 11.619 -9.808 112 HA GLN 13 HA GLN 13 8.665 9.517 -11.499 113 HB2 GLN 13 HB3 GLN 13 6.683 10.731 -11.982 114 HB3 GLN 13 HB2 GLN 13 7.568 12.272 -12.095 115 HG2 GLN 13 HG3 GLN 13 6.963 11.605 -14.301 116 HG3 GLN 13 HG2 GLN 13 8.721 11.384 -14.122 117 HE21 GLN 13 HE22 GLN 13 9.570 9.301 -14.065 118 HE22 GLN 13 HE21 GLN 13 8.665 7.924 -14.595 119 H GLN 14 H GLN 14 10.031 12.774 -11.239 120 HA GLN 14 HA GLN 14 11.853 12.506 -13.417 121 HB2 GLN 14 HB3 GLN 14 11.821 14.342 -11.005 122 HB3 GLN 14 HB2 GLN 14 13.001 14.463 -12.332 123 HG2 GLN 14 HG3 GLN 14 10.043 14.542 -12.866 124 HG3 GLN 14 HG2 GLN 14 10.928 15.998 -12.350 125 HE21 GLN 14 HE22 GLN 14 9.576 15.430 -14.873 126 HE22 GLN 14 HE21 GLN 14 10.773 15.615 -16.107 127 H LEU 15 H LEU 15 12.182 12.099 -9.898 128 HA LEU 15 HA LEU 15 14.944 11.490 -9.949 129 HB2 LEU 15 HB3 LEU 15 12.769 11.351 -7.960 130 HB3 LEU 15 HB2 LEU 15 14.159 10.272 -7.688 131 HG LEU 15 HG LEU 15 15.667 12.181 -7.685 132 HD11 LEU 15 HD11 LEU 15 14.808 14.488 -7.687 133 HD12 LEU 15 HD12 LEU 15 13.175 13.874 -8.039 134 HD13 LEU 15 HD13 LEU 15 14.483 13.657 -9.227 135 HD21 LEU 15 HD21 LEU 15 13.297 12.540 -5.832 136 HD22 LEU 15 HD22 LEU 15 14.919 13.230 -5.590 137 HD23 LEU 15 HD23 LEU 15 14.692 11.465 -5.573 138 H VAL 16 H VAL 16 12.077 9.381 -10.041 139 HA VAL 16 HA VAL 16 13.488 6.929 -9.897 140 HB VAL 16 HB VAL 16 10.799 7.586 -11.155 141 HG11 VAL 16 HG11 VAL 16 10.354 5.165 -11.127 142 HG12 VAL 16 HG12 VAL 16 12.028 4.865 -10.603 143 HG13 VAL 16 HG13 VAL 16 11.710 5.570 -12.206 144 HG21 VAL 16 HG21 VAL 16 11.567 6.277 -8.525 145 HG22 VAL 16 HG22 VAL 16 9.907 6.507 -9.125 146 HG23 VAL 16 HG23 VAL 16 10.916 7.920 -8.735 147 H MET 17 H MET 17 12.800 9.111 -12.538 148 HA MET 17 HA MET 17 13.568 7.354 -14.656 149 HB2 MET 17 HB3 MET 17 12.188 9.346 -15.044 150 HB3 MET 17 HB2 MET 17 13.538 10.389 -14.533 151 HG2 MET 17 HG3 MET 17 14.867 9.472 -16.444 152 HG3 MET 17 HG2 MET 17 13.396 8.631 -16.990 153 HE1 MET 17 HE1 MET 17 13.552 11.456 -19.648 154 HE2 MET 17 HE2 MET 17 13.321 9.718 -19.346 155 HE3 MET 17 HE3 MET 17 14.888 10.483 -18.987 156 H ARG 18 H ARG 18 15.283 9.675 -12.626 157 HA ARG 18 HA ARG 18 17.760 9.396 -14.086 158 HB2 ARG 18 HB3 ARG 18 17.038 10.772 -11.495 159 HB3 ARG 18 HB2 ARG 18 18.665 10.794 -12.217 160 HG2 ARG 18 HG3 ARG 18 18.067 12.243 -13.865 161 HG3 ARG 18 HG2 ARG 18 16.390 11.651 -13.934 162 HD2 ARG 18 HD3 ARG 18 16.831 14.015 -12.979 163 HD3 ARG 18 HD2 ARG 18 15.727 12.931 -12.099 164 HE ARG 18 HE ARG 18 18.289 12.569 -11.045 165 HH11 ARG 18 HH11 ARG 18 15.919 15.130 -11.311 166 HH12 ARG 18 HH12 ARG 18 16.378 15.882 -9.816 167 HH21 ARG 18 HH22 ARG 18 18.883 13.531 -9.065 168 HH22 ARG 18 HH21 ARG 18 18.074 14.974 -8.536 169 H TYR 19 H TYR 19 16.627 8.361 -10.845 170 HA TYR 19 HA TYR 19 19.178 7.043 -10.375 171 HB2 TYR 19 HB3 TYR 19 16.697 7.180 -8.652 172 HB3 TYR 19 HB2 TYR 19 18.258 6.472 -8.174 173 HD1 TYR 19 HD2 TYR 19 20.275 7.975 -7.974 174 HD2 TYR 19 HD1 TYR 19 16.330 9.527 -8.536 175 HE1 TYR 19 HE2 TYR 19 21.036 10.192 -7.209 176 HE2 TYR 19 HE1 TYR 19 17.091 11.744 -7.780 177 HH TYR 19 HH TYR 19 20.495 12.354 -7.040 178 H GLY 20 H GLY 20 15.874 6.094 -11.141 179 HA2 GLY 20 HA3 GLY 20 15.630 4.038 -12.449 180 HA3 GLY 20 HA2 GLY 20 16.881 3.321 -11.405 181 H ALA 21 H ALA 21 15.273 1.615 -11.086 182 HA ALA 21 HA ALA 21 13.160 2.381 -9.165 183 HB1 ALA 21 HB1 ALA 21 11.988 0.318 -9.839 184 HB2 ALA 21 HB2 ALA 21 13.280 -0.024 -11.013 185 HB3 ALA 21 HB3 ALA 21 12.252 1.414 -11.215 186 H LYS 22 H LYS 22 16.035 1.773 -8.666 187 HA LYS 22 HA LYS 22 15.568 -0.276 -6.610 188 HB2 LYS 22 HB3 LYS 22 16.643 -1.516 -8.341 189 HB3 LYS 22 HB2 LYS 22 17.880 -0.254 -8.560 190 HG2 LYS 22 HG3 LYS 22 18.912 -0.781 -6.487 191 HG3 LYS 22 HG2 LYS 22 17.553 -1.820 -5.996 192 HD2 LYS 22 HD3 LYS 22 18.137 -3.507 -7.516 193 HD3 LYS 22 HD2 LYS 22 19.165 -2.414 -8.474 194 HE2 LYS 22 HE3 LYS 22 19.783 -3.141 -5.603 195 HE3 LYS 22 HE2 LYS 22 20.363 -4.103 -6.984 196 HZ1 LYS 22 HZ1 LYS 22 20.879 -1.186 -6.786 197 HZ2 LYS 22 HZ2 LYS 22 21.667 -2.334 -7.744 198 HZ3 LYS 22 HZ3 LYS 22 21.903 -2.327 -6.069 199 H ASP 23 H ASP 23 17.456 2.472 -7.740 200 HA ASP 23 HA ASP 23 18.890 2.663 -5.217 201 HB2 ASP 23 HB3 ASP 23 19.693 3.336 -7.639 202 HB3 ASP 23 HB2 ASP 23 18.926 4.885 -7.214 203 H TRP 24 H TRP 24 16.356 2.718 -4.497 204 HA TRP 24 HA TRP 24 15.147 5.297 -4.413 205 HB2 TRP 24 HB3 TRP 24 14.761 2.960 -2.516 206 HB3 TRP 24 HB2 TRP 24 13.666 4.345 -2.736 207 HD1 TRP 24 HD1 TRP 24 14.621 0.989 -4.270 208 HE1 TRP 24 HE1 TRP 24 12.990 0.442 -6.176 209 HE3 TRP 24 HE3 TRP 24 12.161 5.473 -4.548 210 HZ2 TRP 24 HZ2 TRP 24 10.922 1.704 -7.610 211 HZ3 TRP 24 HZ3 TRP 24 10.347 5.725 -6.210 212 HH2 TRP 24 HH2 TRP 24 9.742 3.866 -7.718 213 H ILE 25 H ILE 25 17.673 3.797 -2.616 214 HA ILE 25 HA ILE 25 17.411 5.297 -0.213 215 HB ILE 25 HB ILE 25 19.767 4.676 0.261 216 HG12 ILE 25 HG12 ILE 25 19.642 3.123 -2.335 217 HG13 ILE 25 HG13 ILE 25 20.485 4.680 -2.150 218 HG21 ILE 25 HG21 ILE 25 19.338 2.256 0.456 219 HG22 ILE 25 HG22 ILE 25 17.956 2.419 -0.654 220 HG23 ILE 25 HG23 ILE 25 17.924 3.225 0.933 221 HD11 ILE 25 HD11 ILE 25 21.948 3.686 -0.452 222 HD12 ILE 25 HD12 ILE 25 22.040 2.801 -1.993 223 HD13 ILE 25 HD13 ILE 25 21.105 2.130 -0.636 224 H ARG 26 H ARG 26 19.075 5.888 -3.272 225 HA ARG 26 HA ARG 26 20.476 8.203 -2.407 226 HB2 ARG 26 HB3 ARG 26 20.086 6.759 -4.860 227 HB3 ARG 26 HB2 ARG 26 19.859 8.501 -5.148 228 HG2 ARG 26 HG3 ARG 26 22.141 8.056 -5.557 229 HG3 ARG 26 HG2 ARG 26 22.070 8.857 -3.968 230 HD2 ARG 26 HD3 ARG 26 22.187 5.852 -4.333 231 HD3 ARG 26 HD2 ARG 26 23.626 6.876 -4.116 232 HE ARG 26 HE ARG 26 21.488 6.531 -2.102 233 HH11 ARG 26 HH11 ARG 26 24.826 7.131 -2.964 234 HH12 ARG 26 HH12 ARG 26 25.374 7.182 -1.319 235 HH21 ARG 26 HH22 ARG 26 22.215 6.574 0.076 236 HH22 ARG 26 HH21 ARG 26 23.895 6.858 0.406 237 H ILE 27 H ILE 27 17.204 7.594 -3.271 238 HA ILE 27 HA ILE 27 16.478 10.376 -3.680 239 HB ILE 27 HB ILE 27 14.760 7.888 -3.272 240 HG12 ILE 27 HG12 ILE 27 15.429 9.362 -5.834 241 HG13 ILE 27 HG13 ILE 27 16.240 7.876 -5.283 242 HG21 ILE 27 HG21 ILE 27 12.926 9.232 -4.217 243 HG22 ILE 27 HG22 ILE 27 13.993 10.655 -4.257 244 HG23 ILE 27 HG23 ILE 27 13.537 9.928 -2.698 245 HD11 ILE 27 HD11 ILE 27 14.108 6.671 -5.398 246 HD12 ILE 27 HD12 ILE 27 14.538 7.390 -6.967 247 HD13 ILE 27 HD13 ILE 27 13.297 8.157 -5.948 248 H SER 28 H SER 28 16.645 8.035 -1.132 249 HA SER 28 HA SER 28 14.971 9.339 0.777 250 HB2 SER 28 HB3 SER 28 17.271 7.508 1.480 251 HB3 SER 28 HB2 SER 28 15.729 7.747 2.339 252 HG SER 28 HG SER 28 15.136 6.975 -0.122 253 H GLN 29 H GLN 29 17.917 10.251 -0.506 254 HA GLN 29 HA GLN 29 19.124 11.391 1.842 255 HB2 GLN 29 HB3 GLN 29 19.593 12.186 -1.043 256 HB3 GLN 29 HB2 GLN 29 20.670 12.457 0.348 257 HG2 GLN 29 HG3 GLN 29 20.845 9.960 0.577 258 HG3 GLN 29 HG2 GLN 29 19.969 9.826 -0.967 259 HE21 GLN 29 HE22 GLN 29 20.961 10.682 -2.857 260 HE22 GLN 29 HE21 GLN 29 22.687 10.804 -2.962 261 H LEU 30 H LEU 30 16.712 12.337 -0.452 262 HA LEU 30 HA LEU 30 16.619 15.090 0.612 263 HB2 LEU 30 HB3 LEU 30 15.118 13.817 -1.701 264 HB3 LEU 30 HB2 LEU 30 15.067 15.532 -1.228 265 HG LEU 30 HG LEU 30 17.485 14.060 -2.300 266 HD11 LEU 30 HD11 LEU 30 17.157 15.441 -4.312 267 HD12 LEU 30 HD12 LEU 30 15.657 16.095 -3.612 268 HD13 LEU 30 HD13 LEU 30 15.772 14.365 -4.013 269 HD21 LEU 30 HD21 LEU 30 17.062 16.996 -1.657 270 HD22 LEU 30 HD22 LEU 30 18.499 16.301 -2.444 271 HD23 LEU 30 HD23 LEU 30 18.103 15.859 -0.766 272 H MET 31 H MET 31 14.889 12.075 0.235 273 HA MET 31 HA MET 31 12.667 13.025 1.936 274 HB2 MET 31 HB3 MET 31 12.978 10.428 0.382 275 HB3 MET 31 HB2 MET 31 11.514 11.000 1.218 276 HG2 MET 31 HG3 MET 31 11.397 12.901 -0.358 277 HG3 MET 31 HG2 MET 31 12.806 12.239 -1.222 278 HE1 MET 31 HE1 MET 31 9.776 11.525 -3.655 279 HE2 MET 31 HE2 MET 31 11.363 12.311 -3.482 280 HE3 MET 31 HE3 MET 31 9.960 12.930 -2.579 281 H ILE 32 H ILE 32 13.906 13.007 3.863 282 HA ILE 32 HA ILE 32 15.095 10.444 4.671 283 HB ILE 32 HB ILE 32 16.346 12.673 4.849 284 HG12 ILE 32 HG12 ILE 32 16.194 11.139 7.439 285 HG13 ILE 32 HG13 ILE 32 16.887 10.442 5.955 286 HG21 ILE 32 HG21 ILE 32 15.985 13.956 6.919 287 HG22 ILE 32 HG22 ILE 32 14.546 12.969 7.270 288 HG23 ILE 32 HG23 ILE 32 14.575 14.021 5.835 289 HD11 ILE 32 HD11 ILE 32 18.540 12.251 5.876 290 HD12 ILE 32 HD12 ILE 32 18.629 11.350 7.408 291 HD13 ILE 32 HD13 ILE 32 17.848 12.948 7.360 292 H THR 33 H THR 33 12.286 12.260 5.124 293 HA THR 33 HA THR 33 11.673 11.017 7.720 294 HB THR 33 HB THR 33 9.574 12.649 6.404 295 HG1 THR 33 HG1 THR 33 12.111 13.767 7.139 296 HG21 THR 33 HG21 THR 33 9.483 11.917 8.763 297 HG22 THR 33 HG22 THR 33 9.525 13.692 8.638 298 HG23 THR 33 HG23 THR 33 10.995 12.796 9.092 299 H ARG 34 H ARG 34 11.837 9.592 5.059 300 HA ARG 34 HA ARG 34 9.254 8.207 5.326 301 HB2 ARG 34 HB3 ARG 34 8.984 9.806 3.527 302 HB3 ARG 34 HB2 ARG 34 10.485 9.236 2.757 303 HG2 ARG 34 HG3 ARG 34 9.460 7.111 2.241 304 HG3 ARG 34 HG2 ARG 34 7.980 7.579 3.112 305 HD2 ARG 34 HD3 ARG 34 9.123 8.941 0.649 306 HD3 ARG 34 HD2 ARG 34 7.698 7.876 0.696 307 HE ARG 34 HE ARG 34 6.514 9.560 1.847 308 HH11 ARG 34 HH11 ARG 34 9.669 10.602 0.791 309 HH12 ARG 34 HH12 ARG 34 9.369 12.277 1.122 310 HH21 ARG 34 HH22 ARG 34 6.098 11.752 2.276 311 HH22 ARG 34 HH21 ARG 34 7.336 12.938 1.969 312 H ASN 35 H ASN 35 9.308 6.077 4.982 313 HA ASN 35 HA ASN 35 11.704 4.582 5.103 314 HB2 ASN 35 HB3 ASN 35 8.819 4.145 4.946 315 HB3 ASN 35 HB2 ASN 35 9.684 2.998 3.894 316 HD21 ASN 35 HD22 ASN 35 8.119 2.513 6.300 317 HD22 ASN 35 HD21 ASN 35 9.170 1.708 7.420 318 HA PRO 36 HA PRO 36 13.039 5.034 0.843 319 HB2 PRO 36 HB3 PRO 36 14.252 2.461 0.690 320 HB3 PRO 36 HB2 PRO 36 15.055 3.973 1.175 321 HG2 PRO 36 HG3 PRO 36 13.894 1.798 2.863 322 HG3 PRO 36 HG2 PRO 36 15.329 2.814 3.144 323 HD2 PRO 36 HD3 PRO 36 13.035 3.245 4.481 324 HD3 PRO 36 HD2 PRO 36 14.058 4.603 3.956 325 H ARG 37 H ARG 37 11.557 2.031 1.967 326 HA ARG 37 HA ARG 37 10.711 1.180 -0.635 327 HB2 ARG 37 HB3 ARG 37 9.901 0.281 2.135 328 HB3 ARG 37 HB2 ARG 37 9.371 -0.496 0.623 329 HG2 ARG 37 HG3 ARG 37 11.490 -1.327 0.156 330 HG3 ARG 37 HG2 ARG 37 12.299 -0.138 1.205 331 HD2 ARG 37 HD3 ARG 37 10.457 -2.306 2.242 332 HD3 ARG 37 HD2 ARG 37 12.220 -2.505 2.090 333 HE ARG 37 HE ARG 37 12.514 -0.848 3.779 334 HH11 ARG 37 HH11 ARG 37 9.172 -1.762 3.258 335 HH12 ARG 37 HH12 ARG 37 8.644 -1.194 4.811 336 HH21 ARG 37 HH22 ARG 37 11.826 -0.087 5.809 337 HH22 ARG 37 HH21 ARG 37 10.163 -0.233 6.266 338 H GLN 38 H GLN 38 9.434 3.430 1.631 339 HA GLN 38 HA GLN 38 6.669 3.141 0.930 340 HB2 GLN 38 HB3 GLN 38 8.269 5.244 2.345 341 HB3 GLN 38 HB2 GLN 38 6.615 5.604 1.792 342 HG2 GLN 38 HG3 GLN 38 7.475 4.302 4.167 343 HG3 GLN 38 HG2 GLN 38 5.825 4.719 3.645 344 HE21 GLN 38 HE22 GLN 38 4.563 3.145 2.658 345 HE22 GLN 38 HE21 GLN 38 4.905 1.463 2.828 346 H CYS 39 H CYS 39 9.374 5.098 -0.235 347 HA CYS 39 HA CYS 39 7.909 6.717 -2.063 348 HB2 CYS 39 HB3 CYS 39 10.766 5.727 -2.372 349 HB3 CYS 39 HB2 CYS 39 10.037 7.172 -3.115 350 HG CYS 39 HG CYS 39 10.931 8.751 -1.300 351 H ARG 40 H ARG 40 9.374 3.539 -2.191 352 HA ARG 40 HA ARG 40 8.973 3.017 -4.958 353 HB2 ARG 40 HB3 ARG 40 10.571 1.743 -3.709 354 HB3 ARG 40 HB2 ARG 40 9.339 1.256 -2.520 355 HG2 ARG 40 HG3 ARG 40 8.337 -0.257 -4.026 356 HG3 ARG 40 HG2 ARG 40 9.211 0.425 -5.418 357 HD2 ARG 40 HD3 ARG 40 11.245 -0.528 -4.773 358 HD3 ARG 40 HD2 ARG 40 10.721 -0.741 -3.085 359 HE ARG 40 HE ARG 40 9.756 -2.743 -3.655 360 HH11 ARG 40 HH11 ARG 40 10.665 -1.046 -6.592 361 HH12 ARG 40 HH12 ARG 40 10.376 -2.413 -7.617 362 HH21 ARG 40 HH22 ARG 40 9.420 -4.547 -4.997 363 HH22 ARG 40 HH21 ARG 40 9.693 -4.413 -6.708 364 H GLU 41 H GLU 41 7.106 2.383 -2.027 365 HA GLU 41 HA GLU 41 4.995 0.886 -3.193 366 HB2 GLU 41 HB3 GLU 41 5.401 0.861 -0.803 367 HB3 GLU 41 HB2 GLU 41 5.128 2.617 -0.700 368 HG2 GLU 41 HG3 GLU 41 2.758 2.009 -1.628 369 HG3 GLU 41 HG2 GLU 41 3.153 0.386 -1.012 370 H ARG 42 H ARG 42 5.681 4.295 -2.945 371 HA ARG 42 HA ARG 42 3.058 5.276 -3.533 372 HB2 ARG 42 HB3 ARG 42 5.817 6.329 -3.230 373 HB3 ARG 42 HB2 ARG 42 4.757 7.257 -4.319 374 HG2 ARG 42 HG3 ARG 42 4.059 6.537 -1.464 375 HG3 ARG 42 HG2 ARG 42 4.795 8.079 -1.965 376 HD2 ARG 42 HD3 ARG 42 2.067 6.972 -2.634 377 HD3 ARG 42 HD2 ARG 42 2.488 8.530 -1.881 378 HE ARG 42 HE ARG 42 3.532 9.026 -4.166 379 HH11 ARG 42 HH11 ARG 42 0.675 7.064 -3.697 380 HH12 ARG 42 HH12 ARG 42 0.060 7.366 -5.286 381 HH21 ARG 42 HH22 ARG 42 2.754 9.411 -6.257 382 HH22 ARG 42 HH21 ARG 42 1.251 8.688 -6.747 383 H TRP 43 H TRP 43 6.065 5.135 -5.440 384 HA TRP 43 HA TRP 43 4.971 5.888 -7.916 385 HB2 TRP 43 HB3 TRP 43 7.275 6.001 -7.845 386 HB3 TRP 43 HB2 TRP 43 7.433 4.446 -6.993 387 HD1 TRP 43 HD1 TRP 43 7.506 2.208 -8.506 388 HE1 TRP 43 HE1 TRP 43 8.027 1.846 -10.995 389 HE3 TRP 43 HE3 TRP 43 7.051 7.041 -10.134 390 HZ2 TRP 43 HZ2 TRP 43 8.245 3.385 -13.344 391 HZ3 TRP 43 HZ3 TRP 43 7.443 7.525 -12.523 392 HH2 TRP 43 HH2 TRP 43 8.026 5.722 -14.104 393 H ASN 44 H ASN 44 5.597 2.696 -6.550 394 HA ASN 44 HA ASN 44 4.711 1.167 -8.742 395 HB2 ASN 44 HB3 ASN 44 6.156 0.194 -7.122 396 HB3 ASN 44 HB2 ASN 44 5.001 0.513 -5.806 397 HD21 ASN 44 HD22 ASN 44 3.585 -1.007 -5.293 398 HD22 ASN 44 HD21 ASN 44 3.317 -2.478 -6.164 399 H ASN 45 H ASN 45 2.836 2.844 -6.340 400 HA ASN 45 HA ASN 45 0.480 1.307 -7.247 401 HB2 ASN 45 HB3 ASN 45 1.118 2.484 -4.560 402 HB3 ASN 45 HB2 ASN 45 -0.568 2.210 -5.060 403 HD21 ASN 45 HD22 ASN 45 2.359 0.788 -3.997 404 HD22 ASN 45 HD21 ASN 45 1.801 -0.859 -3.902 405 H TYR 46 H TYR 46 1.660 3.899 -8.403 406 HA TYR 46 HA TYR 46 -0.950 5.128 -8.687 407 HB2 TYR 46 HB3 TYR 46 0.147 6.128 -6.610 408 HB3 TYR 46 HB2 TYR 46 1.275 6.919 -7.737 409 HD1 TYR 46 HD2 TYR 46 -2.413 6.489 -7.173 410 HD2 TYR 46 HD1 TYR 46 0.734 9.040 -8.542 411 HE1 TYR 46 HE2 TYR 46 -4.038 8.314 -7.494 412 HE2 TYR 46 HE1 TYR 46 -0.884 10.872 -8.855 413 HH TYR 46 HH TYR 46 -4.246 10.553 -7.838 414 H ILE 47 H ILE 47 2.516 5.436 -9.434 415 HA ILE 47 HA ILE 47 1.788 6.732 -11.974 416 HB ILE 47 HB ILE 47 4.619 6.309 -10.985 417 HG12 ILE 47 HG12 ILE 47 2.802 8.656 -10.348 418 HG13 ILE 47 HG13 ILE 47 3.314 7.404 -9.190 419 HG21 ILE 47 HG21 ILE 47 5.041 8.314 -12.360 420 HG22 ILE 47 HG22 ILE 47 3.316 8.376 -12.791 421 HG23 ILE 47 HG23 ILE 47 4.315 7.001 -13.317 422 HD11 ILE 47 HD11 ILE 47 5.646 8.109 -9.461 423 HD12 ILE 47 HD12 ILE 47 4.614 9.454 -8.919 424 HD13 ILE 47 HD13 ILE 47 5.134 9.360 -10.619 425 H ASN 48 H ASN 48 3.013 3.784 -10.649 426 HA ASN 48 HA ASN 48 4.085 2.777 -13.118 427 HB2 ASN 48 HB3 ASN 48 5.172 1.939 -11.247 428 HB3 ASN 48 HB2 ASN 48 3.649 1.570 -10.402 429 HD21 ASN 48 HD22 ASN 48 2.770 -0.397 -10.623 430 HD22 ASN 48 HD21 ASN 48 3.412 -1.662 -11.618 431 HA PRO 49 HA PRO 49 0.170 0.263 -13.563 432 HB2 PRO 49 HB3 PRO 49 -1.619 -0.113 -11.569 433 HB3 PRO 49 HB2 PRO 49 -0.024 -0.901 -11.506 434 HG2 PRO 49 HG3 PRO 49 -1.039 1.482 -10.019 435 HG3 PRO 49 HG2 PRO 49 0.119 0.231 -9.507 436 HD2 PRO 49 HD3 PRO 49 0.728 2.824 -10.527 437 HD3 PRO 49 HD2 PRO 49 1.876 1.504 -10.197 438 H ALA 50 H ALA 50 -2.441 0.425 -13.477 439 HA ALA 50 HA ALA 50 -3.144 3.292 -13.708 440 HB1 ALA 50 HB1 ALA 50 -4.642 2.670 -15.564 441 HB2 ALA 50 HB2 ALA 50 -4.082 0.985 -15.443 442 HB3 ALA 50 HB3 ALA 50 -2.946 2.269 -15.920 443 H LEU 51 H LEU 51 -3.564 2.433 -11.317 444 HA LEU 51 HA LEU 51 -5.930 0.970 -10.832 445 HB2 LEU 51 HB3 LEU 51 -5.762 1.762 -8.533 446 HB3 LEU 51 HB2 LEU 51 -4.223 1.119 -9.155 447 HG LEU 51 HG LEU 51 -4.744 4.075 -9.154 448 HD11 LEU 51 HD11 LEU 51 -3.721 4.216 -6.916 449 HD12 LEU 51 HD12 LEU 51 -3.735 2.440 -6.804 450 HD13 LEU 51 HD13 LEU 51 -5.269 3.339 -6.883 451 HD21 LEU 51 HD21 LEU 51 -2.240 2.380 -8.890 452 HD22 LEU 51 HD22 LEU 51 -2.294 4.158 -8.918 453 HD23 LEU 51 HD23 LEU 51 -2.788 3.231 -10.354 454 H ARG 52 H ARG 52 -7.298 2.005 -12.372 455 HA ARG 52 HA ARG 52 -8.935 4.084 -11.119 456 HB2 ARG 52 HB3 ARG 52 -7.690 4.323 -13.876 457 HB3 ARG 52 HB2 ARG 52 -9.101 5.273 -13.351 458 HG2 ARG 52 HG3 ARG 52 -7.781 6.329 -11.608 459 HG3 ARG 52 HG2 ARG 52 -6.373 5.327 -12.035 460 HD2 ARG 52 HD3 ARG 52 -6.027 7.443 -13.056 461 HD3 ARG 52 HD2 ARG 52 -6.511 6.327 -14.356 462 HE ARG 52 HE ARG 52 -8.340 8.285 -13.098 463 HH11 ARG 52 HH11 ARG 52 -7.186 6.490 -15.866 464 HH12 ARG 52 HH12 ARG 52 -8.263 7.266 -16.983 465 HH21 ARG 52 HH22 ARG 52 -9.772 9.310 -14.564 466 HH22 ARG 52 HH21 ARG 52 -9.720 8.879 -16.248 467 H THR 53 H THR 53 -10.222 4.324 -13.847 468 HA THR 53 HA THR 53 -12.250 3.541 -14.642 469 HB THR 53 HB THR 53 -11.175 0.832 -15.088 470 HG1 THR 53 HG1 THR 53 -9.412 2.794 -15.032 471 HG21 THR 53 HG21 THR 53 -13.020 1.826 -16.390 472 HG22 THR 53 HG22 THR 53 -11.628 1.451 -17.432 473 HG23 THR 53 HG23 THR 53 -11.938 3.130 -16.931 474 H ASP 54 H ASP 54 -12.574 3.415 -11.940 475 HA ASP 54 HA ASP 54 -13.840 2.462 -10.302 476 HB2 ASP 54 HB3 ASP 54 -14.819 0.887 -12.687 477 HB3 ASP 54 HB2 ASP 54 -15.468 0.638 -11.048 478 HA PRO 55 HA PRO 55 -11.776 -1.063 -8.646 479 HB2 PRO 55 HB3 PRO 55 -13.707 -2.544 -7.359 480 HB3 PRO 55 HB2 PRO 55 -13.155 -0.962 -6.759 481 HG2 PRO 55 HG3 PRO 55 -15.592 -1.640 -8.390 482 HG3 PRO 55 HG2 PRO 55 -15.445 -0.569 -6.975 483 HD2 PRO 55 HD3 PRO 55 -15.525 0.383 -9.521 484 HD3 PRO 55 HD2 PRO 55 -14.595 1.187 -8.233 485 H TRP 56 H TRP 56 -12.640 -3.734 -8.233 486 HA TRP 56 HA TRP 56 -12.407 -4.757 -10.945 487 HB2 TRP 56 HB3 TRP 56 -12.789 -6.686 -8.742 488 HB3 TRP 56 HB2 TRP 56 -11.572 -6.647 -10.041 489 HD1 TRP 56 HD1 TRP 56 -9.533 -4.656 -9.550 490 HE1 TRP 56 HE1 TRP 56 -8.319 -4.248 -7.320 491 HE3 TRP 56 HE3 TRP 56 -12.901 -6.839 -6.375 492 HZ2 TRP 56 HZ2 TRP 56 -8.706 -4.776 -4.584 493 HZ3 TRP 56 HZ3 TRP 56 -12.406 -6.856 -3.953 494 HH2 TRP 56 HH2 TRP 56 -10.339 -5.841 -3.076 495 H SER 57 H SER 57 -13.763 -6.674 -11.551 496 HA SER 57 HA SER 57 -16.579 -6.011 -11.050 497 HB2 SER 57 HB3 SER 57 -16.253 -8.167 -12.918 498 HB3 SER 57 HB2 SER 57 -16.813 -6.506 -13.225 499 HG SER 57 HG SER 57 -14.166 -7.546 -13.330 500 HA PRO 58 HA PRO 58 -17.581 -9.424 -8.467 501 HB2 PRO 58 HB3 PRO 58 -19.516 -10.412 -10.560 502 HB3 PRO 58 HB2 PRO 58 -19.799 -10.057 -8.839 503 HG2 PRO 58 HG3 PRO 58 -20.632 -8.360 -10.694 504 HG3 PRO 58 HG2 PRO 58 -19.884 -7.749 -9.199 505 HD2 PRO 58 HD3 PRO 58 -18.692 -8.006 -11.958 506 HD3 PRO 58 HD2 PRO 58 -18.526 -6.685 -10.776 507 H GLU 59 H GLU 59 -16.583 -10.070 -11.724 508 HA GLU 59 HA GLU 59 -16.475 -12.931 -11.553 509 HB2 GLU 59 HB3 GLU 59 -14.967 -11.021 -13.370 510 HB3 GLU 59 HB2 GLU 59 -15.124 -12.781 -13.589 511 HG2 GLU 59 HG3 GLU 59 -17.539 -12.538 -13.876 512 HG3 GLU 59 HG2 GLU 59 -17.396 -10.780 -13.634 513 H GLU 60 H GLU 60 -14.209 -10.259 -11.035 514 HA GLU 60 HA GLU 60 -11.994 -11.974 -10.360 515 HB2 GLU 60 HB3 GLU 60 -12.416 -9.028 -9.766 516 HB3 GLU 60 HB2 GLU 60 -10.887 -9.925 -9.602 517 HG2 GLU 60 HG3 GLU 60 -10.484 -9.033 -11.624 518 HG3 GLU 60 HG2 GLU 60 -11.430 -10.435 -12.181 519 H ASP 61 H ASP 61 -14.479 -10.170 -8.629 520 HA ASP 61 HA ASP 61 -13.594 -10.449 -5.995 521 HB2 ASP 61 HB3 ASP 61 -15.425 -9.028 -6.315 522 HB3 ASP 61 HB2 ASP 61 -16.329 -10.242 -7.252 523 H MET 62 H MET 62 -15.476 -12.690 -7.989 524 HA MET 62 HA MET 62 -15.766 -14.610 -5.866 525 HB2 MET 62 HB3 MET 62 -16.309 -14.813 -8.834 526 HB3 MET 62 HB2 MET 62 -16.692 -16.076 -7.640 527 HG2 MET 62 HG3 MET 62 -18.194 -14.521 -6.484 528 HG3 MET 62 HG2 MET 62 -17.817 -13.267 -7.689 529 HE1 MET 62 HE1 MET 62 -21.449 -14.074 -8.747 530 HE2 MET 62 HE2 MET 62 -20.247 -12.805 -8.411 531 HE3 MET 62 HE3 MET 62 -20.781 -13.893 -7.107 532 H LEU 63 H LEU 63 -13.662 -14.330 -8.732 533 HA LEU 63 HA LEU 63 -12.482 -16.911 -8.363 534 HB2 LEU 63 HB3 LEU 63 -12.549 -15.791 -10.536 535 HB3 LEU 63 HB2 LEU 63 -11.486 -14.508 -9.907 536 HG LEU 63 HG LEU 63 -9.706 -16.198 -9.585 537 HD11 LEU 63 HD11 LEU 63 -9.920 -18.390 -10.684 538 HD12 LEU 63 HD12 LEU 63 -11.624 -18.033 -11.053 539 HD13 LEU 63 HD13 LEU 63 -11.094 -18.194 -9.362 540 HD21 LEU 63 HD21 LEU 63 -10.820 -15.991 -12.399 541 HD22 LEU 63 HD22 LEU 63 -9.152 -16.441 -11.973 542 HD23 LEU 63 HD23 LEU 63 -9.758 -14.812 -11.593 543 H LEU 64 H LEU 64 -11.484 -13.606 -7.551 544 HA LEU 64 HA LEU 64 -8.938 -14.199 -6.537 545 HB2 LEU 64 HB3 LEU 64 -10.461 -11.925 -6.850 546 HB3 LEU 64 HB2 LEU 64 -10.336 -12.082 -5.081 547 HG LEU 64 HG LEU 64 -8.011 -11.963 -7.014 548 HD11 LEU 64 HD11 LEU 64 -7.615 -9.730 -6.052 549 HD12 LEU 64 HD12 LEU 64 -9.112 -9.881 -5.100 550 HD13 LEU 64 HD13 LEU 64 -9.189 -9.827 -6.878 551 HD21 LEU 64 HD21 LEU 64 -8.097 -11.961 -3.981 552 HD22 LEU 64 HD22 LEU 64 -6.644 -11.722 -4.980 553 HD23 LEU 64 HD23 LEU 64 -7.505 -13.279 -5.020 554 H ASP 65 H ASP 65 -12.115 -14.234 -4.973 555 HA ASP 65 HA ASP 65 -11.337 -14.555 -2.319 556 HB2 ASP 65 HB3 ASP 65 -13.659 -14.196 -2.965 557 HB3 ASP 65 HB2 ASP 65 -13.711 -15.796 -3.744 558 H GLN 66 H GLN 66 -11.463 -16.928 -4.912 559 HA GLN 66 HA GLN 66 -10.926 -19.176 -3.187 560 HB2 GLN 66 HB3 GLN 66 -12.178 -19.485 -5.243 561 HB3 GLN 66 HB2 GLN 66 -10.807 -18.870 -6.199 562 HG2 GLN 66 HG3 GLN 66 -9.652 -20.923 -4.810 563 HG3 GLN 66 HG2 GLN 66 -11.301 -21.538 -5.078 564 HE21 GLN 66 HE22 GLN 66 -11.999 -21.921 -7.161 565 HE22 GLN 66 HE21 GLN 66 -10.924 -21.982 -8.512 566 H LYS 67 H LYS 67 -9.031 -17.346 -5.610 567 HA LYS 67 HA LYS 67 -6.611 -18.768 -5.238 568 HB2 LYS 67 HB3 LYS 67 -6.971 -15.900 -6.148 569 HB3 LYS 67 HB2 LYS 67 -5.524 -16.911 -6.378 570 HG2 LYS 67 HG3 LYS 67 -8.256 -17.426 -7.583 571 HG3 LYS 67 HG2 LYS 67 -6.856 -16.724 -8.429 572 HD2 LYS 67 HD3 LYS 67 -5.584 -18.792 -8.049 573 HD3 LYS 67 HD2 LYS 67 -6.977 -19.494 -7.191 574 HE2 LYS 67 HE3 LYS 67 -8.317 -19.079 -9.318 575 HE3 LYS 67 HE2 LYS 67 -6.762 -18.740 -10.115 576 HZ1 LYS 67 HZ1 LYS 67 -7.520 -21.047 -10.382 577 HZ2 LYS 67 HZ2 LYS 67 -7.420 -21.282 -8.711 578 HZ3 LYS 67 HZ3 LYS 67 -6.020 -20.950 -9.607 579 H TYR 68 H TYR 68 -8.118 -16.237 -3.438 580 HA TYR 68 HA TYR 68 -5.758 -15.375 -2.009 581 HB2 TYR 68 HB3 TYR 68 -7.366 -13.710 -2.188 582 HB3 TYR 68 HB2 TYR 68 -8.712 -14.834 -1.881 583 HD1 TYR 68 HD1 TYR 68 -5.755 -13.319 -0.112 584 HD2 TYR 68 HD2 TYR 68 -9.773 -14.759 0.164 585 HE1 TYR 68 HE1 TYR 68 -5.871 -12.547 2.227 586 HE2 TYR 68 HE2 TYR 68 -9.889 -13.999 2.505 587 HH TYR 68 HH TYR 68 -8.289 -13.511 4.362 588 H ALA 69 H ALA 69 -8.153 -17.850 -1.738 589 HA ALA 69 HA ALA 69 -7.524 -18.425 1.052 590 HB1 ALA 69 HB1 ALA 69 -9.192 -20.225 0.812 591 HB2 ALA 69 HB2 ALA 69 -9.345 -19.845 -0.920 592 HB3 ALA 69 HB3 ALA 69 -9.843 -18.650 0.301 593 H GLU 70 H GLU 70 -6.134 -19.031 -1.892 594 HA GLU 70 HA GLU 70 -5.064 -21.661 -1.088 595 HB2 GLU 70 HB3 GLU 70 -4.825 -20.260 -3.766 596 HB3 GLU 70 HB2 GLU 70 -4.367 -21.937 -3.381 597 HG2 GLU 70 HG3 GLU 70 -7.185 -20.843 -3.317 598 HG3 GLU 70 HG2 GLU 70 -6.465 -21.750 -4.669 599 H TYR 71 H TYR 71 -3.997 -18.542 -2.498 600 HA TYR 71 HA TYR 71 -1.238 -19.143 -1.752 601 HB2 TYR 71 HB3 TYR 71 -2.506 -16.855 -3.274 602 HB3 TYR 71 HB2 TYR 71 -0.776 -16.926 -2.862 603 HD1 TYR 71 HD1 TYR 71 0.540 -18.986 -3.683 604 HD2 TYR 71 HD2 TYR 71 -3.290 -17.889 -5.239 605 HE1 TYR 71 HE1 TYR 71 0.970 -20.348 -5.689 606 HE2 TYR 71 HE2 TYR 71 -2.858 -19.246 -7.254 607 HH TYR 71 HH TYR 71 -0.440 -21.535 -7.429 608 H GLY 72 H GLY 72 -3.888 -17.104 -0.728 609 HA2 GLY 72 HA3 GLY 72 -4.019 -16.419 1.583 610 HA3 GLY 72 HA2 GLY 72 -2.243 -16.293 1.588 611 HA PRO 73 HA PRO 73 -3.882 -12.040 0.831 612 HB2 PRO 73 HB3 PRO 73 -2.327 -10.758 2.679 613 HB3 PRO 73 HB2 PRO 73 -3.823 -11.604 3.142 614 HG2 PRO 73 HG3 PRO 73 -0.967 -12.526 3.340 615 HG3 PRO 73 HG2 PRO 73 -2.288 -12.681 4.523 616 HD2 PRO 73 HD3 PRO 73 -1.503 -14.711 2.850 617 HD3 PRO 73 HD2 PRO 73 -3.155 -14.553 3.493 618 H LYS 74 H LYS 74 -1.769 -13.570 -0.552 619 HA LYS 74 HA LYS 74 0.520 -11.796 -0.786 620 HB2 LYS 74 HB3 LYS 74 -0.260 -14.316 -2.280 621 HB3 LYS 74 HB2 LYS 74 1.250 -13.411 -2.541 622 HG2 LYS 74 HG3 LYS 74 1.890 -13.836 -0.197 623 HG3 LYS 74 HG2 LYS 74 0.397 -14.780 0.025 624 HD2 LYS 74 HD3 LYS 74 1.102 -16.388 -1.636 625 HD3 LYS 74 HD2 LYS 74 2.525 -15.400 -2.046 626 HE2 LYS 74 HE3 LYS 74 3.284 -17.173 -0.645 627 HE3 LYS 74 HE2 LYS 74 3.290 -15.689 0.339 628 HZ1 LYS 74 HZ1 LYS 74 0.892 -17.383 0.404 629 HZ2 LYS 74 HZ2 LYS 74 1.580 -16.427 1.620 630 HZ3 LYS 74 HZ3 LYS 74 2.270 -17.918 1.226 631 H TRP 75 H TRP 75 -1.343 -10.158 -1.322 632 HA TRP 75 HA TRP 75 -2.555 -9.987 -3.787 633 HB2 TRP 75 HB3 TRP 75 -1.379 -7.636 -2.297 634 HB3 TRP 75 HB2 TRP 75 -2.708 -7.610 -3.481 635 HD1 TRP 75 HD1 TRP 75 -2.303 -7.355 0.080 636 HE1 TRP 75 HE1 TRP 75 -4.372 -8.163 1.362 637 HE3 TRP 75 HE3 TRP 75 -4.665 -9.918 -3.679 638 HZ2 TRP 75 HZ2 TRP 75 -6.695 -9.661 0.892 639 HZ3 TRP 75 HZ3 TRP 75 -6.822 -11.018 -3.178 640 HH2 TRP 75 HH2 TRP 75 -7.820 -10.885 -0.927 641 H ASN 76 H ASN 76 0.818 -9.390 -3.063 642 HA ASN 76 HA ASN 76 1.524 -8.091 -5.491 643 HB2 ASN 76 HB3 ASN 76 2.907 -8.404 -3.309 644 HB3 ASN 76 HB2 ASN 76 3.374 -9.969 -4.016 645 HD21 ASN 76 HD22 ASN 76 4.925 -7.503 -3.402 646 HD22 ASN 76 HD21 ASN 76 5.714 -7.089 -4.886 647 H LYS 77 H LYS 77 1.207 -11.460 -4.547 648 HA LYS 77 HA LYS 77 2.245 -12.521 -7.034 649 HB2 LYS 77 HB3 LYS 77 1.928 -13.527 -4.519 650 HB3 LYS 77 HB2 LYS 77 0.489 -14.196 -5.325 651 HG2 LYS 77 HG3 LYS 77 2.070 -15.869 -5.587 652 HG3 LYS 77 HG2 LYS 77 2.152 -14.994 -7.136 653 HD2 LYS 77 HD3 LYS 77 4.169 -13.926 -6.559 654 HD3 LYS 77 HD2 LYS 77 3.973 -14.298 -4.829 655 HE2 LYS 77 HE3 LYS 77 5.682 -15.730 -5.779 656 HE3 LYS 77 HE2 LYS 77 4.257 -16.705 -5.344 657 HZ1 LYS 77 HZ1 LYS 77 5.058 -17.380 -7.474 658 HZ2 LYS 77 HZ2 LYS 77 5.033 -15.800 -8.069 659 HZ3 LYS 77 HZ3 LYS 77 3.582 -16.588 -7.703 660 H ILE 78 H ILE 78 -0.871 -11.762 -5.610 661 HA ILE 78 HA ILE 78 -2.470 -13.052 -7.591 662 HB ILE 78 HB ILE 78 -3.138 -10.884 -5.582 663 HG12 ILE 78 HG12 ILE 78 -2.517 -12.981 -4.559 664 HG13 ILE 78 HG13 ILE 78 -4.269 -12.713 -4.385 665 HG21 ILE 78 HG21 ILE 78 -5.504 -11.400 -6.025 666 HG22 ILE 78 HG22 ILE 78 -5.014 -12.480 -7.352 667 HG23 ILE 78 HG23 ILE 78 -4.688 -10.733 -7.459 668 HD11 ILE 78 HD11 ILE 78 -4.691 -14.285 -6.222 669 HD12 ILE 78 HD12 ILE 78 -3.773 -15.050 -4.903 670 HD13 ILE 78 HD13 ILE 78 -2.940 -14.553 -6.395 671 H SER 79 H SER 79 -1.243 -9.736 -7.242 672 HA SER 79 HA SER 79 -2.782 -8.554 -9.275 673 HB2 SER 79 HB3 SER 79 -0.683 -6.965 -9.373 674 HB3 SER 79 HB2 SER 79 -1.759 -6.981 -7.955 675 HG SER 79 HG SER 79 -0.251 -7.999 -6.796 676 H LYS 80 H LYS 80 -0.315 -10.858 -9.533 677 HA LYS 80 HA LYS 80 0.704 -10.063 -12.111 678 HB2 LYS 80 HB3 LYS 80 0.842 -12.792 -10.808 679 HB3 LYS 80 HB2 LYS 80 1.854 -12.175 -12.136 680 HG2 LYS 80 HG3 LYS 80 1.857 -11.269 -9.247 681 HG3 LYS 80 HG2 LYS 80 3.136 -12.161 -10.106 682 HD2 LYS 80 HD3 LYS 80 3.118 -10.098 -11.716 683 HD3 LYS 80 HD2 LYS 80 2.322 -9.275 -10.353 684 HE2 LYS 80 HE3 LYS 80 5.045 -10.604 -10.378 685 HE3 LYS 80 HE2 LYS 80 4.684 -8.871 -10.197 686 HZ1 LYS 80 HZ1 LYS 80 4.295 -11.054 -8.244 687 HZ2 LYS 80 HZ2 LYS 80 3.415 -9.618 -8.112 688 HZ3 LYS 80 HZ3 LYS 80 5.105 -9.583 -8.047 689 H PHE 81 H PHE 81 -2.098 -11.658 -10.954 690 HA PHE 81 HA PHE 81 -2.682 -12.847 -13.587 691 HB2 PHE 81 HB3 PHE 81 -4.172 -13.073 -10.951 692 HB3 PHE 81 HB2 PHE 81 -4.560 -13.942 -12.455 693 HD1 PHE 81 HD2 PHE 81 -2.952 -15.656 -13.330 694 HD2 PHE 81 HD1 PHE 81 -2.530 -13.879 -9.463 695 HE1 PHE 81 HE2 PHE 81 -1.452 -17.493 -12.649 696 HE2 PHE 81 HE1 PHE 81 -1.036 -15.716 -8.778 697 HZ PHE 81 HZ PHE 81 -0.496 -17.528 -10.371 698 H LEU 82 H LEU 82 -3.230 -10.059 -11.769 699 HA LEU 82 HA LEU 82 -5.584 -9.333 -13.413 700 HB2 LEU 82 HB3 LEU 82 -4.977 -8.726 -10.520 701 HB3 LEU 82 HB2 LEU 82 -6.059 -7.691 -11.483 702 HG LEU 82 HG LEU 82 -7.495 -9.056 -10.307 703 HD11 LEU 82 HD11 LEU 82 -8.525 -10.583 -11.940 704 HD12 LEU 82 HD12 LEU 82 -7.072 -10.456 -12.961 705 HD13 LEU 82 HD13 LEU 82 -8.080 -9.019 -12.664 706 HD21 LEU 82 HD21 LEU 82 -5.721 -11.429 -10.935 707 HD22 LEU 82 HD22 LEU 82 -7.260 -11.491 -10.045 708 HD23 LEU 82 HD23 LEU 82 -5.876 -10.602 -9.367 709 H LYS 83 H LYS 83 -4.142 -8.541 -14.963 710 HA LYS 83 HA LYS 83 -2.058 -6.680 -14.442 711 HB2 LYS 83 HB3 LYS 83 -2.471 -8.259 -16.453 712 HB3 LYS 83 HB2 LYS 83 -3.481 -6.933 -17.079 713 HG2 LYS 83 HG3 LYS 83 -1.536 -5.434 -17.016 714 HG3 LYS 83 HG2 LYS 83 -0.531 -6.774 -16.414 715 HD2 LYS 83 HD3 LYS 83 -1.228 -8.072 -18.474 716 HD3 LYS 83 HD2 LYS 83 -1.946 -6.562 -19.086 717 HE2 LYS 83 HE3 LYS 83 0.214 -5.466 -19.044 718 HE3 LYS 83 HE2 LYS 83 0.961 -6.896 -18.293 719 HZ1 LYS 83 HZ1 LYS 83 1.443 -6.981 -20.594 720 HZ2 LYS 83 HZ2 LYS 83 -0.158 -6.665 -21.035 721 HZ3 LYS 83 HZ3 LYS 83 0.247 -8.147 -20.327 722 H ASN 84 H ASN 84 -3.047 -5.098 -13.138 723 HA ASN 84 HA ASN 84 -3.559 -2.651 -14.261 724 HB2 ASN 84 HB3 ASN 84 -5.631 -3.676 -15.226 725 HB3 ASN 84 HB2 ASN 84 -6.226 -3.927 -13.568 726 HD21 ASN 84 HD22 ASN 84 -5.580 -1.606 -16.069 727 HD22 ASN 84 HD21 ASN 84 -6.383 -0.271 -15.320 728 H ARG 85 H ARG 85 -4.548 -4.823 -11.667 729 HA ARG 85 HA ARG 85 -4.637 -2.555 -9.792 730 HB2 ARG 85 HB3 ARG 85 -5.332 -5.414 -9.143 731 HB3 ARG 85 HB2 ARG 85 -5.857 -3.921 -8.329 732 HG2 ARG 85 HG3 ARG 85 -6.694 -4.822 -11.099 733 HG3 ARG 85 HG2 ARG 85 -7.673 -4.948 -9.617 734 HD2 ARG 85 HD3 ARG 85 -7.689 -2.522 -9.386 735 HD3 ARG 85 HD2 ARG 85 -6.633 -2.358 -10.810 736 HE ARG 85 HE ARG 85 -8.857 -3.780 -11.648 737 HH11 ARG 85 HH11 ARG 85 -8.178 -0.616 -10.344 738 HH12 ARG 85 HH12 ARG 85 -9.528 0.145 -11.127 739 HH21 ARG 85 HH22 ARG 85 -10.625 -2.792 -12.694 740 HH22 ARG 85 HH21 ARG 85 -10.942 -1.106 -12.434 741 H SER 86 H SER 86 -3.174 -2.269 -8.215 742 HA SER 86 HA SER 86 -0.921 -4.158 -8.133 743 HB2 SER 86 HB3 SER 86 0.260 -2.164 -7.034 744 HB3 SER 86 HB2 SER 86 -0.120 -2.054 -8.769 745 HG SER 86 HG SER 86 -1.001 -0.526 -6.688 746 H ASP 87 H ASP 87 0.306 -4.004 -5.986 747 HA ASP 87 HA ASP 87 -0.965 -5.444 -4.042 748 HB2 ASP 87 HB3 ASP 87 0.958 -4.471 -2.543 749 HB3 ASP 87 HB2 ASP 87 1.315 -5.539 -3.922 750 H ASN 88 H ASN 88 0.123 -2.135 -3.155 751 HA ASN 88 HA ASN 88 -1.525 -1.975 -0.891 752 HB2 ASN 88 HB3 ASN 88 0.443 -0.388 -1.839 753 HB3 ASN 88 HB2 ASN 88 -0.975 0.614 -2.230 754 HD21 ASN 88 HD22 ASN 88 -0.949 2.198 -0.736 755 HD22 ASN 88 HD21 ASN 88 -0.885 1.984 0.984 756 H ASN 89 H ASN 89 -2.327 -1.422 -4.222 757 HA ASN 89 HA ASN 89 -4.736 0.060 -3.737 758 HB2 ASN 89 HB3 ASN 89 -3.738 0.310 -5.880 759 HB3 ASN 89 HB2 ASN 89 -3.718 -1.450 -6.152 760 HD21 ASN 89 HD22 ASN 89 -5.785 1.386 -5.903 761 HD22 ASN 89 HD21 ASN 89 -7.113 0.726 -6.787 762 H ILE 90 H ILE 90 -4.134 -3.361 -4.620 763 HA ILE 90 HA ILE 90 -6.843 -4.159 -4.470 764 HB ILE 90 HB ILE 90 -4.323 -5.821 -4.074 765 HG12 ILE 90 HG12 ILE 90 -6.162 -5.561 -6.471 766 HG13 ILE 90 HG13 ILE 90 -4.605 -4.717 -6.290 767 HG21 ILE 90 HG21 ILE 90 -5.767 -7.774 -4.504 768 HG22 ILE 90 HG22 ILE 90 -7.194 -6.710 -4.524 769 HG23 ILE 90 HG23 ILE 90 -6.254 -6.910 -3.026 770 HD11 ILE 90 HD11 ILE 90 -3.443 -6.876 -6.209 771 HD12 ILE 90 HD12 ILE 90 -4.384 -6.695 -7.709 772 HD13 ILE 90 HD13 ILE 90 -4.999 -7.720 -6.391 773 H ARG 91 H ARG 91 -4.228 -4.179 -2.074 774 HA ARG 91 HA ARG 91 -5.604 -5.462 0.005 775 HB2 ARG 91 HB3 ARG 91 -3.482 -5.307 0.678 776 HB3 ARG 91 HB2 ARG 91 -3.182 -3.844 -0.291 777 HG2 ARG 91 HG3 ARG 91 -2.750 -3.345 2.005 778 HG3 ARG 91 HG2 ARG 91 -4.237 -2.498 1.514 779 HD2 ARG 91 HD3 ARG 91 -4.405 -3.509 3.764 780 HD3 ARG 91 HD2 ARG 91 -5.604 -4.161 2.621 781 HE ARG 91 HE ARG 91 -3.606 -5.954 2.443 782 HH11 ARG 91 HH11 ARG 91 -5.190 -4.500 5.197 783 HH12 ARG 91 HH12 ARG 91 -4.983 -5.884 6.223 784 HH21 ARG 91 HH22 ARG 91 -3.393 -7.826 3.757 785 HH22 ARG 91 HH21 ARG 91 -3.998 -7.790 5.387 786 H ASN 92 H ASN 92 -5.369 -1.985 -0.731 787 HA ASN 92 HA ASN 92 -6.948 -1.092 1.438 788 HB2 ASN 92 HB3 ASN 92 -5.658 0.050 -0.857 789 HB3 ASN 92 HB2 ASN 92 -7.329 0.658 -0.778 790 HD21 ASN 92 HD22 ASN 92 -6.769 2.725 -0.222 791 HD22 ASN 92 HD21 ASN 92 -6.095 3.152 1.308 792 H ARG 93 H ARG 93 -7.797 -1.775 -1.948 793 HA ARG 93 HA ARG 93 -10.545 -1.152 -1.612 794 HB2 ARG 93 HB3 ARG 93 -9.144 -1.209 -3.766 795 HB3 ARG 93 HB2 ARG 93 -9.552 -2.942 -3.800 796 HG2 ARG 93 HG3 ARG 93 -11.061 -1.521 -5.174 797 HG3 ARG 93 HG2 ARG 93 -11.901 -2.451 -3.910 798 HD2 ARG 93 HD3 ARG 93 -12.772 -0.176 -4.013 799 HD3 ARG 93 HD2 ARG 93 -11.929 -0.451 -2.469 800 HE ARG 93 HE ARG 93 -10.090 0.666 -4.245 801 HH11 ARG 93 HH11 ARG 93 -13.047 1.565 -2.602 802 HH12 ARG 93 HH12 ARG 93 -12.684 3.264 -2.600 803 HH21 ARG 93 HH22 ARG 93 -9.584 2.914 -4.206 804 HH22 ARG 93 HH21 ARG 93 -10.711 4.026 -3.497 805 H TRP 94 H TRP 94 -8.816 -4.247 -1.412 806 HA TRP 94 HA TRP 94 -11.108 -5.909 -1.370 807 HB2 TRP 94 HB3 TRP 94 -8.805 -6.743 -1.695 808 HB3 TRP 94 HB2 TRP 94 -8.441 -6.359 0.004 809 HD1 TRP 94 HD1 TRP 94 -9.224 -8.086 1.847 810 HE1 TRP 94 HE1 TRP 94 -10.250 -10.438 1.740 811 HE3 TRP 94 HE3 TRP 94 -10.460 -8.209 -3.124 812 HZ2 TRP 94 HZ2 TRP 94 -11.426 -12.138 -0.170 813 HZ3 TRP 94 HZ3 TRP 94 -11.532 -10.247 -4.026 814 HH2 TRP 94 HH2 TRP 94 -12.015 -12.180 -2.565 815 H MET 95 H MET 95 -9.294 -4.348 1.243 816 HA MET 95 HA MET 95 -10.826 -5.424 3.378 817 HB2 MET 95 HB3 MET 95 -8.521 -4.298 3.439 818 HB3 MET 95 HB2 MET 95 -9.411 -2.756 3.426 819 HG2 MET 95 HG3 MET 95 -10.370 -3.164 5.529 820 HG3 MET 95 HG2 MET 95 -9.947 -4.893 5.482 821 HE1 MET 95 HE1 MET 95 -7.759 -3.550 8.457 822 HE2 MET 95 HE2 MET 95 -8.966 -4.752 7.944 823 HE3 MET 95 HE3 MET 95 -9.402 -3.028 8.014 824 H MET 96 H MET 96 -11.374 -2.860 1.141 825 HA MET 96 HA MET 96 -13.449 -1.589 2.740 826 HB2 MET 96 HB3 MET 96 -12.008 -0.196 1.363 827 HB3 MET 96 HB2 MET 96 -12.494 -1.095 -0.095 828 HG2 MET 96 HG3 MET 96 -14.874 -0.183 1.101 829 HG3 MET 96 HG2 MET 96 -13.730 1.179 1.160 830 HE1 MET 96 HE1 MET 96 -16.013 1.972 -1.950 831 HE2 MET 96 HE2 MET 96 -15.418 2.554 -0.376 832 HE3 MET 96 HE3 MET 96 -16.512 1.151 -0.451 833 H ILE 97 H ILE 97 -13.264 -3.424 -0.328 834 HA ILE 97 HA ILE 97 -16.061 -3.407 -0.780 835 HB ILE 97 HB ILE 97 -14.276 -3.834 -2.522 836 HG12 ILE 97 HG12 ILE 97 -15.715 -5.412 -3.804 837 HG13 ILE 97 HG13 ILE 97 -16.664 -5.684 -2.322 838 HG21 ILE 97 HG21 ILE 97 -13.620 -6.171 -2.917 839 HG22 ILE 97 HG22 ILE 97 -14.405 -6.645 -1.392 840 HG23 ILE 97 HG23 ILE 97 -12.996 -5.558 -1.368 841 HD11 ILE 97 HD11 ILE 97 -17.270 -3.307 -2.274 842 HD12 ILE 97 HD12 ILE 97 -17.764 -4.077 -3.801 843 HD13 ILE 97 HD13 ILE 97 -16.322 -3.035 -3.756 844 H ALA 98 H ALA 98 -13.985 -5.604 1.025 845 HA ALA 98 HA ALA 98 -15.784 -7.748 1.303 846 HB1 ALA 98 HB1 ALA 98 -14.494 -8.356 3.309 847 HB2 ALA 98 HB2 ALA 98 -13.689 -6.769 3.267 848 HB3 ALA 98 HB3 ALA 98 -13.433 -7.932 1.944 849 H ARG 99 H ARG 99 -15.562 -4.677 2.960 850 HA ARG 99 HA ARG 99 -17.313 -5.284 5.124 851 HB2 ARG 99 HB3 ARG 99 -15.650 -3.302 4.797 852 HB3 ARG 99 HB2 ARG 99 -17.014 -2.525 3.958 853 HG2 ARG 99 HG3 ARG 99 -18.379 -2.960 6.048 854 HG3 ARG 99 HG2 ARG 99 -16.850 -3.403 6.843 855 HD2 ARG 99 HD3 ARG 99 -17.010 -1.164 7.384 856 HD3 ARG 99 HD2 ARG 99 -16.027 -1.098 5.902 857 HE ARG 99 HE ARG 99 -18.800 -0.890 5.294 858 HH11 ARG 99 HH11 ARG 99 -16.087 0.934 6.544 859 HH12 ARG 99 HH12 ARG 99 -16.760 2.474 6.104 860 HH21 ARG 99 HH22 ARG 99 -19.683 1.141 4.703 861 HH22 ARG 99 HH21 ARG 99 -18.804 2.594 5.071 862 H HIS 100 H HIS 100 -17.806 -4.498 1.797 863 HA HIS 100 HA HIS 100 -20.620 -3.768 2.166 864 HB2 HIS 100 HB3 HIS 100 -19.073 -2.665 0.470 865 HB3 HIS 100 HB2 HIS 100 -19.142 -4.190 -0.444 866 HD1 HIS 100 HD1 HIS 100 -21.526 -4.832 -1.454 867 HD2 HIS 100 HD2 HIS 100 -21.229 -0.989 0.124 868 HE1 HIS 100 HE1 HIS 100 -23.531 -3.589 -2.334 869 HE2 HIS 100 HE2 HIS 100 -23.194 -1.217 -1.547 870 H ARG 101 H ARG 101 -18.636 -6.372 0.830 871 HA ARG 101 HA ARG 101 -20.801 -7.961 -0.135 872 HB2 ARG 101 HB3 ARG 101 -18.472 -8.187 -0.929 873 HB3 ARG 101 HB2 ARG 101 -18.002 -8.811 0.671 874 HG2 ARG 101 HG3 ARG 101 -18.276 -10.802 -0.361 875 HG3 ARG 101 HG2 ARG 101 -19.978 -10.538 0.092 876 HD2 ARG 101 HD3 ARG 101 -18.699 -9.898 -2.583 877 HD3 ARG 101 HD2 ARG 101 -19.807 -11.247 -2.234 878 HE ARG 101 HE ARG 101 -20.499 -8.417 -2.495 879 HH11 ARG 101 HH11 ARG 101 -21.519 -11.700 -1.814 880 HH12 ARG 101 HH12 ARG 101 -23.204 -11.363 -2.076 881 HH21 ARG 101 HH22 ARG 101 -22.729 -7.975 -2.823 882 HH22 ARG 101 HH21 ARG 101 -23.891 -9.253 -2.647 883 H ALA 102 H ALA 102 -19.108 -7.741 2.944 884 HA ALA 102 HA ALA 102 -20.338 -10.064 4.089 885 HB1 ALA 102 HB1 ALA 102 -19.415 -9.243 6.219 886 HB2 ALA 102 HB2 ALA 102 -18.958 -7.718 5.425 887 HB3 ALA 102 HB3 ALA 102 -18.198 -9.246 4.921 888 H LYS 103 H LYS 103 -21.744 -7.312 3.126 889 HA LYS 103 HA LYS 103 -23.583 -6.084 3.651 890 HB2 LYS 103 HB3 LYS 103 -24.425 -8.756 4.789 891 HB3 LYS 103 HB2 LYS 103 -25.510 -7.406 4.376 892 HG2 LYS 103 HG3 LYS 103 -24.952 -7.608 2.037 893 HG3 LYS 103 HG2 LYS 103 -23.725 -8.846 2.398 894 HD2 LYS 103 HD3 LYS 103 -26.713 -9.095 2.876 895 HD3 LYS 103 HD2 LYS 103 -25.792 -9.867 1.562 896 HE2 LYS 103 HE3 LYS 103 -24.527 -11.179 3.151 897 HE3 LYS 103 HE2 LYS 103 -25.279 -10.321 4.517 898 HZ1 LYS 103 HZ1 LYS 103 -27.456 -11.199 3.596 899 HZ2 LYS 103 HZ2 LYS 103 -26.433 -12.323 4.333 900 HZ3 LYS 103 HZ3 LYS 103 -26.528 -12.247 2.647 901 H HIS 104 H HIS 104 -25.395 -6.809 5.932 902 HA HIS 104 HA HIS 104 -24.091 -6.412 8.392 903 HB2 HIS 104 HB3 HIS 104 -24.989 -4.014 8.757 904 HB3 HIS 104 HB2 HIS 104 -23.445 -4.242 7.901 905 HD1 HIS 104 HD1 HIS 104 -26.951 -4.393 6.398 906 HD2 HIS 104 HD2 HIS 104 -23.456 -2.135 6.180 907 HE1 HIS 104 HE1 HIS 104 -27.326 -2.760 4.516 908 HE2 HIS 104 HE2 HIS 104 -25.122 -1.548 4.284 909 H GLN 105 H GLN 105 -25.497 -7.545 9.553 910 HA GLN 105 HA GLN 105 -28.298 -7.649 8.929 911 HB2 GLN 105 HB3 GLN 105 -26.802 -8.603 11.388 912 HB3 GLN 105 HB2 GLN 105 -28.490 -8.993 10.980 913 HG2 GLN 105 HG3 GLN 105 -27.758 -10.185 8.992 914 HG3 GLN 105 HG2 GLN 105 -26.066 -9.749 9.333 915 HE21 GLN 105 HE22 GLN 105 -26.449 -10.104 12.227 916 HE22 GLN 105 HE21 GLN 105 -26.473 -11.811 12.493 917 H LYS 106 H LYS 106 -30.000 -7.055 10.488 918 HA LYS 106 HA LYS 106 -29.354 -4.980 12.424 919 HB2 LYS 106 HB3 LYS 106 -29.901 -4.214 9.820 920 HB3 LYS 106 HB2 LYS 106 -31.482 -4.077 10.627 921 HG2 LYS 106 HG3 LYS 106 -30.636 -2.524 12.213 922 HG3 LYS 106 HG2 LYS 106 -28.955 -2.824 11.709 923 HD2 LYS 106 HD3 LYS 106 -29.476 -1.896 9.477 924 HD3 LYS 106 HD2 LYS 106 -31.137 -1.557 10.021 925 HE2 LYS 106 HE3 LYS 106 -28.603 -0.412 11.234 926 HE3 LYS 106 HE2 LYS 106 -29.709 0.444 10.132 927 HZ1 LYS 106 HZ1 LYS 106 -30.140 1.016 12.430 928 HZ2 LYS 106 HZ2 LYS 106 -30.405 -0.605 12.826 929 HZ3 LYS 106 HZ3 LYS 106 -31.465 0.193 11.779 930 H SER 107 H SER 107 -32.180 -6.074 10.558 931 HA SER 107 HA SER 107 -33.371 -7.179 12.990 932 HB2 SER 107 HB3 SER 107 -34.762 -5.091 11.270 933 HB3 SER 107 HB2 SER 107 -35.493 -5.985 12.625 934 HG SER 107 HG SER 107 -33.828 -3.799 12.649 935 H5' DA 1 H5' DA 1 -21.249 18.798 12.653 936 H5'' DA 1 H5'' DA 1 -21.013 18.237 14.320 937 H4' DA 1 H4' DA 1 -21.964 16.421 13.271 938 H3' DA 1 H3' DA 1 -19.563 15.914 14.289 939 H2' DA 1 H2' DA 1 -18.166 16.354 12.421 940 H2'' DA 1 H2'' DA 1 -18.499 14.664 12.091 941 H1' DA 1 H1' DA 1 -20.030 15.118 10.404 942 H8 DA 1 H8 DA 1 -18.195 18.360 11.452 943 H61 DA 1 H61 DA 1 -16.887 19.782 7.012 944 H62 DA 1 H62 DA 1 -17.200 19.178 5.400 945 H2 DA 1 H2 DA 1 -19.780 15.531 5.911 946 HO5' DA 1 HO5' DA 1 -18.849 17.853 13.842 947 H5' DA 2 H5' DA 2 -21.488 13.611 10.420 948 H5'' DA 2 H5'' DA 2 -21.956 12.372 11.604 949 H4' DA 2 H4' DA 2 -22.039 11.259 9.580 950 H3' DA 2 H3' DA 2 -20.322 10.188 11.307 951 H2' DA 2 H2' DA 2 -18.306 11.274 10.688 952 H2'' DA 2 H2'' DA 2 -18.206 9.917 9.582 953 H1' DA 2 H1' DA 2 -18.863 11.162 7.731 954 H8 DA 2 H8 DA 2 -17.904 13.329 10.765 955 H61 DA 2 H61 DA 2 -15.128 16.516 8.382 956 H62 DA 2 H62 DA 2 -14.774 16.788 6.692 957 H2 DA 2 H2 DA 2 -17.096 13.683 4.412 958 H5' DG 3 H5' DG 3 -20.081 10.227 6.642 959 H5'' DG 3 H5'' DG 3 -20.911 8.660 6.694 960 H4' DG 3 H4' DG 3 -20.162 8.776 4.522 961 H3' DG 3 H3' DG 3 -19.164 6.708 5.856 962 H2' DG 3 H2' DG 3 -17.138 7.661 6.695 963 H2'' DG 3 H2'' DG 3 -16.535 7.047 5.164 964 H1' DG 3 H1' DG 3 -16.538 9.127 4.125 965 H8 DG 3 H8 DG 3 -16.839 9.359 7.957 966 H1 DG 3 H1 DG 3 -12.956 13.658 5.182 967 H21 DG 3 H21 DG 3 -14.163 12.358 2.205 968 H22 DG 3 H22 DG 3 -13.103 13.510 2.984 969 H5' DA 4 H5' DA 4 -16.953 8.850 1.940 970 H5'' DA 4 H5'' DA 4 -17.695 7.485 1.081 971 H4' DA 4 H4' DA 4 -16.032 8.147 -0.366 972 H3' DA 4 H3' DA 4 -15.690 5.653 0.484 973 H2' DA 4 H2' DA 4 -14.332 6.020 2.409 974 H2'' DA 4 H2'' DA 4 -13.052 5.877 1.215 975 H1' DA 4 H1' DA 4 -12.643 8.151 1.108 976 H8 DA 4 H8 DA 4 -14.743 7.056 4.131 977 H61 DA 4 H61 DA 4 -12.418 9.669 7.484 978 H62 DA 4 H62 DA 4 -11.186 10.908 7.417 979 H2 DA 4 H2 DA 4 -10.240 11.502 3.057 980 H5' DT 5 H5' DT 5 -12.288 8.451 -0.953 981 H5'' DT 5 H5'' DT 5 -12.370 7.685 -2.552 982 H4' DT 5 H4' DT 5 -10.410 8.824 -2.728 983 H3' DT 5 H3' DT 5 -9.998 6.188 -2.763 984 H2' DT 5 H2' DT 5 -9.498 5.765 -0.482 985 H2'' DT 5 H2'' DT 5 -7.877 6.164 -1.027 986 H1' DT 5 H1' DT 5 -7.917 8.315 -0.126 987 H3 DT 5 H3 DT 5 -8.516 8.667 4.280 988 H71 DT 5 H71 DT 5 -12.480 5.878 3.671 989 H72 DT 5 H72 DT 5 -11.150 4.794 4.139 990 H73 DT 5 H73 DT 5 -11.771 4.770 2.473 991 H6 DT 5 H6 DT 5 -10.725 6.145 0.887 992 H5' DA 6 H5' DA 6 -6.722 9.067 -1.320 993 H5'' DA 6 H5'' DA 6 -6.042 9.137 -2.956 994 H4' DA 6 H4' DA 6 -4.345 9.982 -1.668 995 H3' DA 6 H3' DA 6 -3.722 7.711 -2.946 996 H2' DA 6 H2' DA 6 -4.012 6.092 -1.254 997 H2'' DA 6 H2'' DA 6 -2.379 6.573 -0.820 998 H1' DA 6 H1' DA 6 -3.043 7.855 0.972 999 H8 DA 6 H8 DA 6 -5.765 5.406 -0.216 1000 H61 DA 6 H61 DA 6 -7.315 4.144 4.221 1001 H62 DA 6 H62 DA 6 -6.961 4.729 5.831 1002 H2 DA 6 H2 DA 6 -3.987 8.067 5.345 1003 H5' DA 7 H5' DA 7 -1.819 8.993 1.099 1004 H5'' DA 7 H5'' DA 7 -0.867 10.031 0.030 1005 H4' DA 7 H4' DA 7 0.295 10.206 1.980 1006 H3' DA 7 H3' DA 7 1.730 8.988 0.082 1007 H2' DA 7 H2' DA 7 1.380 6.704 0.577 1008 H2'' DA 7 H2'' DA 7 2.687 6.971 1.716 1009 H1' DA 7 H1' DA 7 1.333 7.045 3.555 1010 H8 DA 7 H8 DA 7 -0.007 5.314 0.475 1011 H61 DA 7 H61 DA 7 -2.861 2.052 2.710 1012 H62 DA 7 H62 DA 7 -3.402 1.876 4.364 1013 H2 DA 7 H2 DA 7 -1.600 5.261 6.691 1014 H5' DC 8 H5' DC 8 2.532 9.209 4.865 1015 H5'' DC 8 H5'' DC 8 4.007 10.161 4.599 1016 H4' DC 8 H4' DC 8 4.198 9.344 6.764 1017 H3' DC 8 H3' DC 8 6.194 8.683 5.108 1018 H2' DC 8 H2' DC 8 5.557 6.516 4.423 1019 H2'' DC 8 H2'' DC 8 6.342 6.047 5.918 1020 H1' DC 8 H1' DC 8 4.369 5.714 7.069 1021 H41 DC 8 H41 DC 8 1.236 2.884 2.033 1022 H42 DC 8 H42 DC 8 0.573 2.114 3.476 1023 H5 DC 8 H5 DC 8 2.760 4.692 2.032 1024 H6 DC 8 H6 DC 8 4.073 6.188 3.433 1025 H5' DG 9 H5' DG 9 5.169 6.756 9.452 1026 H5'' DG 9 H5'' DG 9 6.675 7.451 10.084 1027 H4' DG 9 H4' DG 9 6.070 5.814 11.621 1028 H3' DG 9 H3' DG 9 8.492 5.542 10.509 1029 H2' DG 9 H2' DG 9 8.092 3.973 8.797 1030 H2'' DG 9 H2'' DG 9 8.279 2.814 10.102 1031 H1' DG 9 H1' DG 9 6.029 2.381 10.287 1032 H8 DG 9 H8 DG 9 6.685 4.615 7.210 1033 H1 DG 9 H1 DG 9 2.787 -0.389 6.219 1034 H21 DG 9 H21 DG 9 3.176 -0.957 9.636 1035 H22 DG 9 H22 DG 9 2.442 -1.476 8.140 1036 H5' DA 10 H5' DA 10 5.900 2.207 12.411 1037 H5'' DA 10 H5'' DA 10 6.774 2.442 13.937 1038 H4' DA 10 H4' DA 10 5.683 0.436 14.247 1039 H3' DA 10 H3' DA 10 8.335 0.246 14.401 1040 H2' DA 10 H2' DA 10 8.923 -0.416 12.209 1041 H2'' DA 10 H2'' DA 10 8.556 -2.018 12.831 1042 H1' DA 10 H1' DA 10 6.540 -2.173 11.744 1043 H8 DA 10 H8 DA 10 8.531 0.918 10.515 1044 H61 DA 10 H61 DA 10 7.672 0.295 5.769 1045 H62 DA 10 H62 DA 10 6.682 -0.829 4.862 1046 H2 DA 10 H2 DA 10 4.750 -3.544 7.886 1047 H5' DT 11 H5' DT 11 5.424 -3.228 13.558 1048 H5'' DT 11 H5'' DT 11 5.510 -3.771 15.248 1049 H4' DT 11 H4' DT 11 4.487 -5.528 14.157 1050 H3' DT 11 H3' DT 11 6.792 -6.161 15.356 1051 H2' DT 11 H2' DT 11 8.319 -6.001 13.548 1052 H2'' DT 11 H2'' DT 11 7.803 -7.657 13.282 1053 H1' DT 11 H1' DT 11 6.398 -7.131 11.516 1054 H3 DT 11 H3 DT 11 8.023 -5.058 7.934 1055 H71 DT 11 H71 DT 11 10.198 -1.935 10.843 1056 H72 DT 11 H72 DT 11 10.392 -2.927 12.307 1057 H73 DT 11 H73 DT 11 11.377 -3.267 10.864 1058 H6 DT 11 H6 DT 11 8.696 -4.469 12.619 1059 H5' DA 12 H5' DA 12 4.874 -8.541 11.748 1060 H5'' DA 12 H5'' DA 12 4.228 -9.741 12.887 1061 H4' DA 12 H4' DA 12 4.126 -10.848 10.871 1062 H3' DA 12 H3' DA 12 5.727 -12.058 12.613 1063 H2' DA 12 H2' DA 12 7.822 -11.080 12.072 1064 H2'' DA 12 H2'' DA 12 7.871 -12.434 10.958 1065 H1' DA 12 H1' DA 12 7.336 -11.129 9.097 1066 H8 DA 12 H8 DA 12 8.417 -9.081 12.164 1067 H61 DA 12 H61 DA 12 11.380 -6.023 9.850 1068 H62 DA 12 H62 DA 12 11.745 -5.743 8.163 1069 H2 DA 12 H2 DA 12 9.222 -8.626 5.815 1070 H5' DT 13 H5' DT 13 6.320 -12.269 8.133 1071 H5'' DT 13 H5'' DT 13 5.315 -13.726 8.058 1072 H4' DT 13 H4' DT 13 6.245 -13.829 6.001 1073 H3' DT 13 H3' DT 13 7.218 -15.801 7.490 1074 H2' DT 13 H2' DT 13 9.134 -14.711 8.429 1075 H2'' DT 13 H2'' DT 13 9.875 -15.411 6.998 1076 H1' DT 13 H1' DT 13 9.858 -13.417 5.796 1077 H3 DT 13 H3 DT 13 12.255 -10.041 7.369 1078 H71 DT 13 H71 DT 13 9.798 -12.395 11.572 1079 H72 DT 13 H72 DT 13 10.323 -10.700 11.681 1080 H73 DT 13 H73 DT 13 11.530 -12.005 11.689 1081 H6 DT 13 H6 DT 13 9.249 -13.119 9.432 1082 H5' DT 14 H5' DT 14 9.502 -13.908 3.942 1083 H5'' DT 14 H5'' DT 14 8.758 -15.180 2.956 1084 H4' DT 14 H4' DT 14 10.291 -14.356 1.490 1085 H3' DT 14 H3' DT 14 10.918 -16.847 2.187 1086 H2' DT 14 H2' DT 14 12.398 -16.489 4.001 1087 H2'' DT 14 H2'' DT 14 13.581 -16.393 2.707 1088 H1' DT 14 H1' DT 14 13.736 -14.092 2.777 1089 H3 DT 14 H3 DT 14 14.934 -12.060 6.523 1090 H71 DT 14 H71 DT 14 12.849 -15.441 8.995 1091 H72 DT 14 H72 DT 14 11.322 -14.586 8.683 1092 H73 DT 14 H73 DT 14 11.665 -16.129 7.861 1093 H6 DT 14 H6 DT 14 11.798 -15.530 5.582 1094 H5' DT 15 H5' DT 15 13.950 -13.734 1.015 1095 H5'' DT 15 H5'' DT 15 13.758 -14.202 -0.682 1096 H4' DT 15 H4' DT 15 15.613 -12.939 -0.875 1097 H3' DT 15 H3' DT 15 16.251 -15.490 -1.255 1098 H2' DT 15 H2' DT 15 16.890 -16.134 0.937 1099 H2'' DT 15 H2'' DT 15 18.450 -15.568 0.370 1100 H1' DT 15 H1' DT 15 18.325 -13.546 1.518 1101 H3 DT 15 H3 DT 15 17.869 -13.606 5.950 1102 H71 DT 15 H71 DT 15 14.266 -16.725 5.437 1103 H72 DT 15 H72 DT 15 14.743 -17.513 3.915 1104 H73 DT 15 H73 DT 15 15.683 -17.801 5.397 1105 H6 DT 15 H6 DT 15 15.782 -16.059 2.430 1106 H5' DA 16 H5' DA 16 19.152 -12.224 0.368 1107 H5'' DA 16 H5'' DA 16 19.759 -11.978 -1.280 1108 H4' DA 16 H4' DA 16 21.386 -10.956 -0.054 1109 H3' DA 16 H3' DA 16 22.332 -13.088 -1.323 1110 HO3' DA 16 HO3' DA 16 23.318 -11.003 -0.061 1111 H2' DA 16 H2' DA 16 22.090 -14.769 0.344 1112 H2'' DA 16 H2'' DA 16 23.694 -14.192 0.771 1113 H1' DA 16 H1' DA 16 22.933 -12.957 2.607 1114 H8 DA 16 H8 DA 16 20.295 -15.430 1.276 1115 H61 DA 16 H61 DA 16 18.891 -17.213 5.573 1116 H62 DA 16 H62 DA 16 19.274 -16.797 7.229 1117 H2 DA 16 H2 DA 16 22.152 -13.356 7.059 1118 H5' DT 17 H5' DT 17 22.603 -17.068 14.528 1119 H5'' DT 17 H5'' DT 17 22.452 -16.530 16.213 1120 H4' DT 17 H4' DT 17 23.595 -14.791 15.289 1121 H3' DT 17 H3' DT 17 21.188 -14.024 16.117 1122 H2' DT 17 H2' DT 17 19.915 -14.326 14.130 1123 H2'' DT 17 H2'' DT 17 20.426 -12.668 13.873 1124 H1' DT 17 H1' DT 17 22.084 -13.245 12.325 1125 H3 DT 17 H3 DT 17 20.620 -15.254 8.623 1126 H71 DT 17 H71 DT 17 18.592 -18.651 11.030 1127 H72 DT 17 H72 DT 17 18.845 -18.204 12.734 1128 H73 DT 17 H73 DT 17 17.518 -17.465 11.807 1129 H6 DT 17 H6 DT 17 19.992 -16.156 13.262 1130 HO5' DT 17 HO5' DT 17 20.355 -15.685 15.592 1131 H5' DA 18 H5' DA 18 23.602 -11.694 12.372 1132 H5'' DA 18 H5'' DA 18 24.049 -10.577 13.677 1133 H4' DA 18 H4' DA 18 24.273 -9.289 11.779 1134 H3' DA 18 H3' DA 18 22.471 -8.327 13.481 1135 H2' DA 18 H2' DA 18 20.475 -9.304 12.660 1136 H2'' DA 18 H2'' DA 18 20.473 -7.866 11.657 1137 H1' DA 18 H1' DA 18 21.192 -8.980 9.758 1138 H8 DA 18 H8 DA 18 20.000 -11.309 12.566 1139 H61 DA 18 H61 DA 18 17.444 -14.376 9.812 1140 H62 DA 18 H62 DA 18 17.234 -14.567 8.090 1141 H2 DA 18 H2 DA 18 19.735 -11.367 6.150 1142 H5' DA 19 H5' DA 19 22.508 -7.958 8.971 1143 H5'' DA 19 H5'' DA 19 23.392 -6.428 9.099 1144 H4' DA 19 H4' DA 19 22.794 -6.390 6.905 1145 H3' DA 19 H3' DA 19 21.594 -4.442 8.249 1146 H2' DA 19 H2' DA 19 19.562 -5.519 8.870 1147 H2'' DA 19 H2'' DA 19 19.050 -4.849 7.331 1148 H1' DA 19 H1' DA 19 19.217 -6.875 6.196 1149 H8 DA 19 H8 DA 19 19.335 -7.323 10.033 1150 H61 DA 19 H61 DA 19 16.052 -10.903 10.311 1151 H62 DA 19 H62 DA 19 15.190 -11.837 9.110 1152 H2 DA 19 H2 DA 19 16.547 -10.342 5.098 1153 H5' DA 20 H5' DA 20 19.844 -6.569 4.264 1154 H5'' DA 20 H5'' DA 20 20.607 -5.197 3.433 1155 H4' DA 20 H4' DA 20 19.141 -5.994 1.846 1156 H3' DA 20 H3' DA 20 18.600 -3.493 2.576 1157 H2' DA 20 H2' DA 20 17.035 -3.859 4.339 1158 H2'' DA 20 H2'' DA 20 15.902 -3.829 2.997 1159 H1' DA 20 H1' DA 20 15.626 -6.123 2.940 1160 H8 DA 20 H8 DA 20 17.375 -4.933 6.168 1161 H61 DA 20 H61 DA 20 14.719 -7.559 9.271 1162 H62 DA 20 H62 DA 20 13.498 -8.793 9.074 1163 H2 DA 20 H2 DA 20 12.998 -9.372 4.641 1164 H5' DT 21 H5' DT 21 15.450 -6.446 0.918 1165 H5'' DT 21 H5'' DT 21 15.626 -5.743 -0.701 1166 H4' DT 21 H4' DT 21 13.701 -6.938 -0.949 1167 H3' DT 21 H3' DT 21 13.243 -4.312 -1.159 1168 H2' DT 21 H2' DT 21 12.611 -3.806 1.080 1169 H2'' DT 21 H2'' DT 21 11.029 -4.222 0.441 1170 H1' DT 21 H1' DT 21 11.020 -6.362 1.384 1171 H3 DT 21 H3 DT 21 11.155 -6.560 5.838 1172 H71 DT 21 H71 DT 21 13.754 -2.610 5.784 1173 H72 DT 21 H72 DT 21 15.104 -3.759 5.627 1174 H73 DT 21 H73 DT 21 14.629 -2.748 4.242 1175 H6 DT 21 H6 DT 21 13.666 -4.094 2.616 1176 H5' DA 22 H5' DA 22 9.628 -7.509 -0.429 1177 H5'' DA 22 H5'' DA 22 9.204 -7.249 -2.133 1178 H4' DA 22 H4' DA 22 7.288 -8.176 -1.246 1179 H3' DA 22 H3' DA 22 6.945 -5.713 -2.230 1180 H2' DA 22 H2' DA 22 7.124 -4.366 -0.304 1181 H2'' DA 22 H2'' DA 22 5.428 -4.784 -0.111 1182 H1' DA 22 H1' DA 22 5.805 -6.312 1.562 1183 H8 DA 22 H8 DA 22 8.944 -4.183 0.842 1184 H61 DA 22 H61 DA 22 10.089 -3.275 5.462 1185 H62 DA 22 H62 DA 22 9.476 -3.820 7.003 1186 H2 DA 22 H2 DA 22 6.111 -6.680 6.026 1187 H5' DT 23 H5' DT 23 4.645 -7.590 1.006 1188 H5'' DT 23 H5'' DT 23 3.495 -8.294 -0.146 1189 H4' DT 23 H4' DT 23 2.465 -8.728 1.841 1190 H3' DT 23 H3' DT 23 1.056 -6.980 0.373 1191 H2' DT 23 H2' DT 23 1.662 -4.906 1.293 1192 H2'' DT 23 H2'' DT 23 0.459 -5.318 2.503 1193 H1' DT 23 H1' DT 23 2.008 -5.857 4.110 1194 H3 DT 23 H3 DT 23 5.128 -2.910 5.242 1195 H71 DT 23 H71 DT 23 6.238 -2.661 0.492 1196 H72 DT 23 H72 DT 23 5.112 -1.323 0.824 1197 H73 DT 23 H73 DT 23 4.568 -2.730 -0.119 1198 H6 DT 23 H6 DT 23 3.530 -4.481 1.032 1199 H5' DC 24 H5' DC 24 1.042 -7.250 4.479 1200 H5'' DC 24 H5'' DC 24 -0.230 -8.438 4.806 1201 H4' DC 24 H4' DC 24 0.206 -7.669 6.910 1202 H3' DC 24 H3' DC 24 -2.246 -7.020 6.035 1203 H2' DC 24 H2' DC 24 -1.953 -4.785 5.341 1204 H2'' DC 24 H2'' DC 24 -2.210 -4.456 7.048 1205 H1' DC 24 H1' DC 24 0.033 -4.112 7.506 1206 H41 DC 24 H41 DC 24 1.309 -0.673 1.956 1207 H42 DC 24 H42 DC 24 2.243 0.043 3.243 1208 H5 DC 24 H5 DC 24 -0.039 -2.686 2.283 1209 H6 DC 24 H6 DC 24 -0.765 -4.371 3.896 1210 H5' DG 25 H5' DG 25 -0.532 -4.014 9.646 1211 H5'' DG 25 H5'' DG 25 -1.363 -5.175 10.699 1212 H4' DG 25 H4' DG 25 -1.608 -3.281 11.924 1213 H3' DG 25 H3' DG 25 -3.955 -4.108 10.960 1214 H2' DG 25 H2' DG 25 -4.152 -2.827 8.985 1215 H2'' DG 25 H2'' DG 25 -4.814 -1.634 10.090 1216 H1' DG 25 H1' DG 25 -2.909 -0.343 10.143 1217 H8 DG 25 H8 DG 25 -3.564 -2.503 7.178 1218 H1 DG 25 H1 DG 25 0.630 2.223 6.028 1219 H21 DG 25 H21 DG 25 0.741 2.538 9.488 1220 H22 DG 25 H22 DG 25 1.323 3.101 7.943 1221 H5' DT 26 H5' DT 26 -2.702 0.045 12.046 1222 H5'' DT 26 H5'' DT 26 -3.268 -0.316 13.688 1223 H4' DT 26 H4' DT 26 -2.892 1.881 13.949 1224 H3' DT 26 H3' DT 26 -5.540 1.527 13.894 1225 H2' DT 26 H2' DT 26 -6.063 1.965 11.628 1226 H2'' DT 26 H2'' DT 26 -6.046 3.636 12.172 1227 H1' DT 26 H1' DT 26 -4.017 4.123 11.239 1228 H3 DT 26 H3 DT 26 -3.076 3.252 6.936 1229 H71 DT 26 H71 DT 26 -5.229 -1.145 7.983 1230 H72 DT 26 H72 DT 26 -6.181 -0.144 6.864 1231 H73 DT 26 H73 DT 26 -6.697 -0.323 8.558 1232 H6 DT 26 H6 DT 26 -5.496 0.895 10.300 1233 H5' DT 27 H5' DT 27 -3.394 5.205 12.944 1234 H5'' DT 27 H5'' DT 27 -3.419 5.736 14.637 1235 H4' DT 27 H4' DT 27 -2.548 7.581 13.658 1236 H3' DT 27 H3' DT 27 -4.986 8.098 14.589 1237 H2' DT 27 H2' DT 27 -6.317 7.725 12.667 1238 H2'' DT 27 H2'' DT 27 -5.923 9.411 12.368 1239 H1' DT 27 H1' DT 27 -4.326 8.932 10.751 1240 H3 DT 27 H3 DT 27 -5.474 6.571 7.138 1241 H71 DT 27 H71 DT 27 -8.783 4.517 9.930 1242 H72 DT 27 H72 DT 27 -7.839 4.280 11.419 1243 H73 DT 27 H73 DT 27 -7.476 3.311 9.972 1244 H6 DT 27 H6 DT 27 -6.390 6.051 11.794 1245 H5' DA 28 H5' DA 28 -3.021 10.278 10.959 1246 H5'' DA 28 H5'' DA 28 -2.380 11.401 12.175 1247 H4' DA 28 H4' DA 28 -2.021 12.567 10.247 1248 H3' DA 28 H3' DA 28 -3.749 13.814 11.822 1249 H2' DA 28 H2' DA 28 -5.812 12.953 11.027 1250 H2'' DA 28 H2'' DA 28 -5.671 14.329 9.943 1251 H1' DA 28 H1' DA 28 -5.022 13.032 8.122 1252 H8 DA 28 H8 DA 28 -6.455 10.945 11.022 1253 H61 DA 28 H61 DA 28 -9.211 7.989 8.338 1254 H62 DA 28 H62 DA 28 -9.406 7.752 6.616 1255 H2 DA 28 H2 DA 28 -6.608 10.642 4.611 1256 H5' DT 29 H5' DT 29 -3.967 14.235 7.268 1257 H5'' DT 29 H5'' DT 29 -2.878 15.632 7.369 1258 H4' DT 29 H4' DT 29 -3.669 15.998 5.295 1259 H3' DT 29 H3' DT 29 -4.724 17.816 6.926 1260 H2' DT 29 H2' DT 29 -6.746 16.722 7.558 1261 H2'' DT 29 H2'' DT 29 -7.331 17.563 6.135 1262 H1' DT 29 H1' DT 29 -7.259 15.681 4.770 1263 H3 DT 29 H3 DT 29 -9.745 12.147 5.871 1264 H71 DT 29 H71 DT 29 -9.511 13.217 10.326 1265 H72 DT 29 H72 DT 29 -7.750 12.989 10.432 1266 H73 DT 29 H73 DT 29 -8.433 14.632 10.390 1267 H6 DT 29 H6 DT 29 -7.024 15.136 8.404 1268 H5' DC 30 H5' DC 30 -6.649 16.429 3.107 1269 H5'' DC 30 H5'' DC 30 -5.876 17.753 2.217 1270 H4' DC 30 H4' DC 30 -7.319 16.986 0.645 1271 H3' DC 30 H3' DC 30 -8.020 19.429 1.407 1272 H2' DC 30 H2' DC 30 -9.560 18.955 3.149 1273 H2'' DC 30 H2'' DC 30 -10.688 18.942 1.803 1274 H1' DC 30 H1' DC 30 -10.831 16.629 1.723 1275 H41 DC 30 H41 DC 30 -10.981 15.687 8.278 1276 H42 DC 30 H42 DC 30 -12.066 14.532 7.552 1277 H5 DC 30 H5 DC 30 -9.616 17.228 6.949 1278 H6 DC 30 H6 DC 30 -9.021 17.910 4.683 1279 H5' DT 31 H5' DT 31 -11.005 16.335 -0.059 1280 H5'' DT 31 H5'' DT 31 -10.604 16.893 -1.693 1281 H4' DT 31 H4' DT 31 -12.423 15.671 -2.203 1282 H3' DT 31 H3' DT 31 -13.051 18.232 -2.474 1283 H2' DT 31 H2' DT 31 -13.909 18.740 -0.315 1284 H2'' DT 31 H2'' DT 31 -15.400 18.187 -1.063 1285 H1' DT 31 H1' DT 31 -15.373 16.128 -0.010 1286 H3 DT 31 H3 DT 31 -15.264 15.889 4.422 1287 H71 DT 31 H71 DT 31 -12.197 20.057 2.945 1288 H72 DT 31 H72 DT 31 -12.887 19.897 4.578 1289 H73 DT 31 H73 DT 31 -11.433 18.975 4.131 1290 H6 DT 31 H6 DT 31 -12.862 18.527 1.255 1291 H5' DT 32 H5' DT 32 -16.060 15.103 -1.431 1292 H5'' DT 32 H5'' DT 32 -16.480 14.794 -3.127 1293 H4' DT 32 H4' DT 32 -18.187 13.707 -2.125 1294 H3' DT 32 H3' DT 32 -19.104 15.897 -3.337 1295 HO3' DT 32 HO3' DT 32 -20.258 13.998 -3.235 1296 H2' DT 32 H2' DT 32 -19.095 17.460 -1.546 1297 H2'' DT 32 H2'' DT 32 -20.695 16.776 -1.298 1298 H1' DT 32 H1' DT 32 -20.036 15.435 0.490 1299 H3 DT 32 H3 DT 32 -18.318 17.388 4.099 1300 H71 DT 32 H71 DT 32 -16.313 19.891 -0.257 1301 H72 DT 32 H72 DT 32 -15.295 19.771 1.197 1302 H73 DT 32 H73 DT 32 -16.733 20.817 1.203 1303 H6 DT 32 H6 DT 32 -17.565 17.966 -0.579 Start of MODEL 10 1 H1 LYS 1 H1 LYS 1 2.866 16.527 8.222 2 H2 LYS 1 H2 LYS 1 1.842 17.630 8.988 3 H3 LYS 1 H3 LYS 1 1.287 16.749 7.657 4 HA LYS 1 HA LYS 1 2.049 15.639 10.305 5 HB2 LYS 1 HB3 LYS 1 -0.062 16.861 10.370 6 HB3 LYS 1 HB2 LYS 1 -0.660 15.927 8.977 7 HG2 LYS 1 HG3 LYS 1 -1.686 14.895 10.785 8 HG3 LYS 1 HG2 LYS 1 -0.270 13.859 10.485 9 HD2 LYS 1 HD3 LYS 1 0.903 14.741 12.336 10 HD3 LYS 1 HD2 LYS 1 -0.206 16.126 12.482 11 HE2 LYS 1 HE3 LYS 1 -0.687 14.542 14.246 12 HE3 LYS 1 HE2 LYS 1 -2.034 14.543 13.081 13 HZ1 LYS 1 HZ1 LYS 1 -1.441 12.299 13.738 14 HZ2 LYS 1 HZ2 LYS 1 0.151 12.525 13.211 15 HZ3 LYS 1 HZ3 LYS 1 -1.115 12.530 12.094 16 H VAL 2 H VAL 2 0.474 14.885 7.165 17 HA VAL 2 HA VAL 2 1.142 12.059 7.594 18 HB VAL 2 HB VAL 2 -0.275 11.618 5.606 19 HG11 VAL 2 HG11 VAL 2 -2.423 12.160 6.680 20 HG12 VAL 2 HG12 VAL 2 -1.584 13.279 7.780 21 HG13 VAL 2 HG13 VAL 2 -1.235 11.535 7.848 22 HG21 VAL 2 HG21 VAL 2 -0.815 14.604 5.710 23 HG22 VAL 2 HG22 VAL 2 -1.685 13.426 4.699 24 HG23 VAL 2 HG23 VAL 2 0.046 13.732 4.419 25 H LYS 3 H LYS 3 2.726 14.600 6.354 26 HA LYS 3 HA LYS 3 4.457 14.914 4.920 27 HB2 LYS 3 HB3 LYS 3 4.599 11.899 5.061 28 HB3 LYS 3 HB2 LYS 3 5.836 12.946 4.325 29 HG2 LYS 3 HG3 LYS 3 6.521 13.797 6.366 30 HG3 LYS 3 HG2 LYS 3 4.985 13.390 7.169 31 HD2 LYS 3 HD3 LYS 3 5.551 10.985 6.965 32 HD3 LYS 3 HD2 LYS 3 7.115 11.437 6.245 33 HE2 LYS 3 HE3 LYS 3 7.763 12.593 8.276 34 HE3 LYS 3 HE2 LYS 3 6.163 12.289 8.996 35 HZ1 LYS 3 HZ1 LYS 3 8.101 10.169 8.203 36 HZ2 LYS 3 HZ2 LYS 3 6.618 9.943 8.986 37 HZ3 LYS 3 HZ3 LYS 3 7.875 10.740 9.780 38 H PHE 4 H PHE 4 5.411 14.006 2.696 39 HA PHE 4 HA PHE 4 5.174 13.858 0.468 40 HB2 PHE 4 HB3 PHE 4 3.601 11.798 1.431 41 HB3 PHE 4 HB2 PHE 4 2.540 12.649 0.282 42 HD1 PHE 4 HD2 PHE 4 4.098 13.455 -1.909 43 HD2 PHE 4 HD1 PHE 4 4.606 9.959 0.489 44 HE1 PHE 4 HE2 PHE 4 5.243 12.341 -3.783 45 HE2 PHE 4 HE1 PHE 4 5.754 8.838 -1.380 46 HZ PHE 4 HZ PHE 4 6.078 10.027 -3.524 47 H THR 5 H THR 5 3.613 14.355 -1.399 48 HA THR 5 HA THR 5 1.412 15.997 -1.230 49 HB THR 5 HB THR 5 2.948 17.545 0.060 50 HG1 THR 5 HG1 THR 5 1.788 19.117 -0.759 51 HG21 THR 5 HG21 THR 5 5.028 17.118 -1.179 52 HG22 THR 5 HG22 THR 5 4.606 18.846 -1.215 53 HG23 THR 5 HG23 THR 5 4.308 17.828 -2.644 54 H GLU 6 H GLU 6 1.309 17.476 -3.272 55 HA GLU 6 HA GLU 6 1.614 15.828 -5.537 56 HB2 GLU 6 HB3 GLU 6 1.408 18.832 -5.689 57 HB3 GLU 6 HB2 GLU 6 0.733 17.603 -6.787 58 HG2 GLU 6 HG3 GLU 6 -0.877 16.943 -5.083 59 HG3 GLU 6 HG2 GLU 6 -0.185 18.131 -3.952 60 H GLU 7 H GLU 7 3.540 18.578 -4.389 61 HA GLU 7 HA GLU 7 5.296 18.836 -6.546 62 HB2 GLU 7 HB3 GLU 7 5.921 19.249 -3.614 63 HB3 GLU 7 HB2 GLU 7 6.812 19.929 -4.997 64 HG2 GLU 7 HG3 GLU 7 4.731 21.144 -5.644 65 HG3 GLU 7 HG2 GLU 7 3.992 20.576 -4.127 66 H GLU 8 H GLU 8 5.742 16.930 -3.566 67 HA GLU 8 HA GLU 8 8.253 15.862 -4.312 68 HB2 GLU 8 HB3 GLU 8 6.251 14.627 -2.410 69 HB3 GLU 8 HB2 GLU 8 8.008 14.347 -2.469 70 HG2 GLU 8 HG3 GLU 8 6.606 16.918 -1.707 71 HG3 GLU 8 HG2 GLU 8 7.439 15.790 -0.610 72 H ASP 9 H ASP 9 4.955 14.826 -4.906 73 HA ASP 9 HA ASP 9 5.538 12.196 -5.805 74 HB2 ASP 9 HB3 ASP 9 3.271 13.156 -5.153 75 HB3 ASP 9 HB2 ASP 9 3.245 13.927 -6.758 76 H LEU 10 H LEU 10 5.175 15.296 -7.484 77 HA LEU 10 HA LEU 10 5.601 14.318 -10.110 78 HB2 LEU 10 HB3 LEU 10 6.214 17.057 -8.970 79 HB3 LEU 10 HB2 LEU 10 6.093 16.641 -10.697 80 HG LEU 10 HG LEU 10 3.833 16.516 -8.689 81 HD11 LEU 10 HD11 LEU 10 2.947 18.474 -9.893 82 HD12 LEU 10 HD12 LEU 10 4.425 18.527 -10.883 83 HD13 LEU 10 HD13 LEU 10 4.517 18.817 -9.129 84 HD21 LEU 10 HD21 LEU 10 3.853 16.146 -11.700 85 HD22 LEU 10 HD22 LEU 10 2.404 16.201 -10.668 86 HD23 LEU 10 HD23 LEU 10 3.579 14.879 -10.481 87 H LYS 11 H LYS 11 7.781 15.488 -7.587 88 HA LYS 11 HA LYS 11 10.176 15.449 -9.116 89 HB2 LYS 11 HB3 LYS 11 9.680 15.146 -6.140 90 HB3 LYS 11 HB2 LYS 11 11.298 15.269 -6.872 91 HG2 LYS 11 HG3 LYS 11 10.849 17.504 -7.629 92 HG3 LYS 11 HG2 LYS 11 9.152 17.388 -7.103 93 HD2 LYS 11 HD3 LYS 11 9.994 17.008 -4.760 94 HD3 LYS 11 HD2 LYS 11 11.632 17.370 -5.355 95 HE2 LYS 11 HE3 LYS 11 11.007 19.599 -5.953 96 HE3 LYS 11 HE2 LYS 11 9.284 19.256 -5.663 97 HZ1 LYS 11 HZ1 LYS 11 10.179 20.468 -3.817 98 HZ2 LYS 11 HZ2 LYS 11 11.442 19.362 -3.615 99 HZ3 LYS 11 HZ3 LYS 11 9.844 18.886 -3.301 100 H LEU 12 H LEU 12 8.407 13.036 -7.299 101 HA LEU 12 HA LEU 12 10.349 11.016 -7.139 102 HB2 LEU 12 HB3 LEU 12 8.075 11.087 -6.022 103 HB3 LEU 12 HB2 LEU 12 7.407 10.507 -7.567 104 HG LEU 12 HG LEU 12 8.803 8.479 -7.378 105 HD11 LEU 12 HD11 LEU 12 9.889 7.955 -5.227 106 HD12 LEU 12 HD12 LEU 12 9.493 9.586 -4.635 107 HD13 LEU 12 HD13 LEU 12 10.614 9.384 -6.002 108 HD21 LEU 12 HD21 LEU 12 7.014 9.036 -4.990 109 HD22 LEU 12 HD22 LEU 12 7.506 7.426 -5.567 110 HD23 LEU 12 HD23 LEU 12 6.488 8.465 -6.592 111 H GLN 13 H GLN 13 7.875 11.564 -9.657 112 HA GLN 13 HA GLN 13 8.573 9.441 -11.346 113 HB2 GLN 13 HB3 GLN 13 6.557 10.535 -11.820 114 HB3 GLN 13 HB2 GLN 13 7.326 12.140 -11.844 115 HG2 GLN 13 HG3 GLN 13 6.809 11.653 -14.079 116 HG3 GLN 13 HG2 GLN 13 8.559 11.366 -13.921 117 HE21 GLN 13 HE22 GLN 13 9.327 9.233 -13.952 118 HE22 GLN 13 HE21 GLN 13 8.380 7.935 -14.596 119 H GLN 14 H GLN 14 9.903 12.700 -11.106 120 HA GLN 14 HA GLN 14 11.612 12.477 -13.385 121 HB2 GLN 14 HB3 GLN 14 11.632 14.357 -11.017 122 HB3 GLN 14 HB2 GLN 14 12.751 14.483 -12.396 123 HG2 GLN 14 HG3 GLN 14 9.741 14.553 -12.668 124 HG3 GLN 14 HG2 GLN 14 10.750 16.006 -12.467 125 HE21 GLN 14 HE22 GLN 14 10.178 16.824 -14.463 126 HE22 GLN 14 HE21 GLN 14 10.758 16.155 -15.947 127 H LEU 15 H LEU 15 12.213 12.175 -9.884 128 HA LEU 15 HA LEU 15 14.981 11.615 -10.136 129 HB2 LEU 15 HB3 LEU 15 12.957 11.448 -7.982 130 HB3 LEU 15 HB2 LEU 15 14.391 10.408 -7.805 131 HG LEU 15 HG LEU 15 15.812 12.441 -8.065 132 HD11 LEU 15 HD11 LEU 15 14.784 14.650 -7.721 133 HD12 LEU 15 HD12 LEU 15 13.169 13.905 -7.806 134 HD13 LEU 15 HD13 LEU 15 14.234 13.887 -9.232 135 HD21 LEU 15 HD21 LEU 15 13.835 12.458 -5.769 136 HD22 LEU 15 HD22 LEU 15 15.411 13.283 -5.789 137 HD23 LEU 15 HD23 LEU 15 15.336 11.507 -5.868 138 H VAL 16 H VAL 16 12.133 9.531 -10.033 139 HA VAL 16 HA VAL 16 13.449 7.048 -9.862 140 HB VAL 16 HB VAL 16 10.767 7.880 -11.002 141 HG11 VAL 16 HG11 VAL 16 10.187 5.500 -11.241 142 HG12 VAL 16 HG12 VAL 16 11.866 5.055 -10.855 143 HG13 VAL 16 HG13 VAL 16 11.506 5.969 -12.339 144 HG21 VAL 16 HG21 VAL 16 11.582 6.224 -8.595 145 HG22 VAL 16 HG22 VAL 16 9.912 6.605 -9.076 146 HG23 VAL 16 HG23 VAL 16 11.012 7.910 -8.574 147 H MET 17 H MET 17 12.654 9.091 -12.631 148 HA MET 17 HA MET 17 13.363 7.266 -14.654 149 HB2 MET 17 HB3 MET 17 12.109 9.397 -14.995 150 HB3 MET 17 HB2 MET 17 13.648 10.271 -14.806 151 HG2 MET 17 HG3 MET 17 14.559 9.199 -16.758 152 HG3 MET 17 HG2 MET 17 13.125 8.154 -16.904 153 HE1 MET 17 HE1 MET 17 12.739 10.436 -20.039 154 HE2 MET 17 HE2 MET 17 12.767 8.769 -19.417 155 HE3 MET 17 HE3 MET 17 14.241 9.765 -19.360 156 H ARG 18 H ARG 18 15.353 9.364 -12.665 157 HA ARG 18 HA ARG 18 17.720 8.805 -14.269 158 HB2 ARG 18 HB3 ARG 18 17.210 10.525 -11.852 159 HB3 ARG 18 HB2 ARG 18 18.853 10.194 -12.452 160 HG2 ARG 18 HG3 ARG 18 18.662 11.761 -14.010 161 HG3 ARG 18 HG2 ARG 18 17.150 11.044 -14.618 162 HD2 ARG 18 HD3 ARG 18 16.751 13.333 -13.921 163 HD3 ARG 18 HD2 ARG 18 15.903 12.212 -12.828 164 HE ARG 18 HE ARG 18 18.482 12.918 -11.823 165 HH11 ARG 18 HH11 ARG 18 15.218 14.122 -12.204 166 HH12 ARG 18 HH12 ARG 18 15.304 15.168 -10.821 167 HH21 ARG 18 HH22 ARG 18 18.592 14.294 -9.979 168 HH22 ARG 18 HH21 ARG 18 17.217 15.263 -9.557 169 H TYR 19 H TYR 19 16.359 7.770 -11.179 170 HA TYR 19 HA TYR 19 18.838 6.337 -10.562 171 HB2 TYR 19 HB3 TYR 19 16.342 6.733 -8.909 172 HB3 TYR 19 HB2 TYR 19 17.786 5.834 -8.385 173 HD1 TYR 19 HD2 TYR 19 20.035 7.406 -9.144 174 HD2 TYR 19 HD1 TYR 19 16.214 8.773 -7.794 175 HE1 TYR 19 HE2 TYR 19 21.065 9.507 -8.371 176 HE2 TYR 19 HE1 TYR 19 17.239 10.880 -7.022 177 HH TYR 19 HH TYR 19 20.443 11.778 -7.867 178 H GLY 20 H GLY 20 15.790 5.630 -11.950 179 HA2 GLY 20 HA3 GLY 20 15.413 3.565 -13.067 180 HA3 GLY 20 HA2 GLY 20 16.534 2.784 -11.926 181 H ALA 21 H ALA 21 15.642 1.617 -10.356 182 HA ALA 21 HA ALA 21 13.185 2.429 -9.055 183 HB1 ALA 21 HB1 ALA 21 11.942 0.364 -9.571 184 HB2 ALA 21 HB2 ALA 21 13.234 -0.128 -10.692 185 HB3 ALA 21 HB3 ALA 21 12.264 1.324 -11.035 186 H LYS 22 H LYS 22 16.011 1.807 -8.429 187 HA LYS 22 HA LYS 22 15.450 -0.137 -6.301 188 HB2 LYS 22 HB3 LYS 22 16.618 -1.307 -8.176 189 HB3 LYS 22 HB2 LYS 22 18.018 -0.246 -7.883 190 HG2 LYS 22 HG3 LYS 22 17.797 -1.123 -5.420 191 HG3 LYS 22 HG2 LYS 22 16.903 -2.458 -6.188 192 HD2 LYS 22 HD3 LYS 22 18.787 -3.010 -7.575 193 HD3 LYS 22 HD2 LYS 22 19.669 -1.560 -7.038 194 HE2 LYS 22 HE3 LYS 22 19.573 -2.489 -4.693 195 HE3 LYS 22 HE2 LYS 22 18.931 -3.996 -5.392 196 HZ1 LYS 22 HZ1 LYS 22 21.321 -4.104 -5.061 197 HZ2 LYS 22 HZ2 LYS 22 21.553 -2.757 -6.052 198 HZ3 LYS 22 HZ3 LYS 22 20.949 -4.195 -6.708 199 H ASP 23 H ASP 23 17.703 2.334 -7.503 200 HA ASP 23 HA ASP 23 18.951 2.642 -4.933 201 HB2 ASP 23 HB3 ASP 23 20.023 3.086 -7.203 202 HB3 ASP 23 HB2 ASP 23 19.115 4.618 -7.207 203 H TRP 24 H TRP 24 16.503 2.836 -4.193 204 HA TRP 24 HA TRP 24 15.335 5.449 -4.315 205 HB2 TRP 24 HB3 TRP 24 14.827 3.169 -2.373 206 HB3 TRP 24 HB2 TRP 24 13.811 4.618 -2.571 207 HD1 TRP 24 HD1 TRP 24 14.546 1.222 -4.131 208 HE1 TRP 24 HE1 TRP 24 12.886 0.798 -6.043 209 HE3 TRP 24 HE3 TRP 24 12.359 5.846 -4.362 210 HZ2 TRP 24 HZ2 TRP 24 10.892 2.188 -7.450 211 HZ3 TRP 24 HZ3 TRP 24 10.558 6.219 -6.018 212 HH2 TRP 24 HH2 TRP 24 9.840 4.414 -7.537 213 H ILE 25 H ILE 25 17.858 4.072 -2.484 214 HA ILE 25 HA ILE 25 17.562 5.609 -0.102 215 HB ILE 25 HB ILE 25 20.067 5.113 0.188 216 HG12 ILE 25 HG12 ILE 25 19.445 3.336 -2.189 217 HG13 ILE 25 HG13 ILE 25 20.584 4.704 -2.163 218 HG21 ILE 25 HG21 ILE 25 19.574 2.785 0.846 219 HG22 ILE 25 HG22 ILE 25 18.059 2.850 -0.086 220 HG23 ILE 25 HG23 ILE 25 18.275 3.900 1.334 221 HD11 ILE 25 HD11 ILE 25 21.973 3.516 -0.531 222 HD12 ILE 25 HD12 ILE 25 21.756 2.567 -2.021 223 HD13 ILE 25 HD13 ILE 25 20.834 2.148 -0.558 224 H ARG 26 H ARG 26 19.005 6.222 -3.225 225 HA ARG 26 HA ARG 26 20.478 8.541 -2.531 226 HB2 ARG 26 HB3 ARG 26 20.087 7.064 -4.824 227 HB3 ARG 26 HB2 ARG 26 19.223 8.577 -5.189 228 HG2 ARG 26 HG3 ARG 26 21.552 8.621 -5.972 229 HG3 ARG 26 HG2 ARG 26 21.236 9.866 -4.739 230 HD2 ARG 26 HD3 ARG 26 23.406 8.625 -4.462 231 HD3 ARG 26 HD2 ARG 26 22.329 8.581 -3.046 232 HE ARG 26 HE ARG 26 21.895 6.324 -4.739 233 HH11 ARG 26 HH11 ARG 26 24.173 7.627 -2.417 234 HH12 ARG 26 HH12 ARG 26 24.684 6.069 -1.851 235 HH21 ARG 26 HH22 ARG 26 22.548 4.280 -3.992 236 HH22 ARG 26 HH21 ARG 26 23.769 4.162 -2.749 237 H ILE 27 H ILE 27 17.116 7.898 -3.075 238 HA ILE 27 HA ILE 27 16.354 10.703 -3.261 239 HB ILE 27 HB ILE 27 14.570 8.264 -2.875 240 HG12 ILE 27 HG12 ILE 27 15.359 9.636 -5.462 241 HG13 ILE 27 HG13 ILE 27 16.019 8.086 -4.888 242 HG21 ILE 27 HG21 ILE 27 12.827 9.712 -3.846 243 HG22 ILE 27 HG22 ILE 27 13.992 11.055 -3.928 244 HG23 ILE 27 HG23 ILE 27 13.495 10.403 -2.348 245 HD11 ILE 27 HD11 ILE 27 13.781 7.092 -5.001 246 HD12 ILE 27 HD12 ILE 27 14.287 7.746 -6.577 247 HD13 ILE 27 HD13 ILE 27 13.121 8.642 -5.575 248 H SER 28 H SER 28 16.649 8.151 -0.912 249 HA SER 28 HA SER 28 15.100 9.263 1.180 250 HB2 SER 28 HB3 SER 28 17.506 7.435 1.457 251 HB3 SER 28 HB2 SER 28 16.179 7.662 2.622 252 HG SER 28 HG SER 28 14.768 6.859 0.917 253 H GLN 29 H GLN 29 18.067 10.249 -0.146 254 HA GLN 29 HA GLN 29 19.306 11.351 2.171 255 HB2 GLN 29 HB3 GLN 29 19.502 12.366 -0.679 256 HB3 GLN 29 HB2 GLN 29 20.660 12.634 0.647 257 HG2 GLN 29 HG3 GLN 29 21.106 10.189 0.678 258 HG3 GLN 29 HG2 GLN 29 20.051 10.018 -0.745 259 HE21 GLN 29 HE22 GLN 29 20.699 11.009 -2.705 260 HE22 GLN 29 HE21 GLN 29 22.367 11.354 -3.013 261 H LEU 30 H LEU 30 17.276 12.783 -0.388 262 HA LEU 30 HA LEU 30 16.908 15.253 1.060 263 HB2 LEU 30 HB3 LEU 30 15.349 14.157 -1.299 264 HB3 LEU 30 HB2 LEU 30 15.409 15.847 -0.741 265 HG LEU 30 HG LEU 30 17.765 14.324 -1.870 266 HD11 LEU 30 HD11 LEU 30 17.413 15.667 -3.906 267 HD12 LEU 30 HD12 LEU 30 15.920 16.333 -3.202 268 HD13 LEU 30 HD13 LEU 30 16.033 14.595 -3.572 269 HD21 LEU 30 HD21 LEU 30 17.342 17.270 -1.282 270 HD22 LEU 30 HD22 LEU 30 18.775 16.560 -2.062 271 HD23 LEU 30 HD23 LEU 30 18.388 16.153 -0.373 272 H MET 31 H MET 31 14.959 12.395 0.262 273 HA MET 31 HA MET 31 12.860 13.256 2.143 274 HB2 MET 31 HB3 MET 31 12.945 10.879 0.252 275 HB3 MET 31 HB2 MET 31 11.547 11.419 1.212 276 HG2 MET 31 HG3 MET 31 11.455 13.494 -0.071 277 HG3 MET 31 HG2 MET 31 12.869 12.977 -1.021 278 HE1 MET 31 HE1 MET 31 9.976 12.675 -3.645 279 HE2 MET 31 HE2 MET 31 11.588 13.344 -3.297 280 HE3 MET 31 HE3 MET 31 10.170 13.921 -2.389 281 H ILE 32 H ILE 32 14.036 12.915 4.038 282 HA ILE 32 HA ILE 32 15.034 10.196 4.570 283 HB ILE 32 HB ILE 32 16.596 12.057 4.972 284 HG12 ILE 32 HG12 ILE 32 15.718 10.699 7.531 285 HG13 ILE 32 HG13 ILE 32 16.773 9.993 6.283 286 HG21 ILE 32 HG21 ILE 32 16.227 13.624 6.834 287 HG22 ILE 32 HG22 ILE 32 14.588 12.965 7.051 288 HG23 ILE 32 HG23 ILE 32 15.015 13.810 5.544 289 HD11 ILE 32 HD11 ILE 32 18.446 11.735 6.712 290 HD12 ILE 32 HD12 ILE 32 18.070 10.811 8.186 291 HD13 ILE 32 HD13 ILE 32 17.391 12.440 7.960 292 H THR 33 H THR 33 12.409 12.237 5.230 293 HA THR 33 HA THR 33 11.690 10.998 7.764 294 HB THR 33 HB THR 33 9.495 12.466 6.968 295 HG1 THR 33 HG1 THR 33 11.276 14.338 6.203 296 HG21 THR 33 HG21 THR 33 10.738 12.673 9.103 297 HG22 THR 33 HG22 THR 33 10.432 14.267 8.372 298 HG23 THR 33 HG23 THR 33 12.047 13.528 8.251 299 H ARG 34 H ARG 34 11.784 9.563 5.024 300 HA ARG 34 HA ARG 34 9.165 8.257 5.329 301 HB2 ARG 34 HB3 ARG 34 8.835 9.779 3.529 302 HB3 ARG 34 HB2 ARG 34 10.378 9.316 2.773 303 HG2 ARG 34 HG3 ARG 34 9.483 7.124 2.225 304 HG3 ARG 34 HG2 ARG 34 7.954 7.521 3.046 305 HD2 ARG 34 HD3 ARG 34 9.115 8.904 0.605 306 HD3 ARG 34 HD2 ARG 34 7.707 7.815 0.641 307 HE ARG 34 HE ARG 34 6.519 9.493 1.884 308 HH11 ARG 34 HH11 ARG 34 9.514 10.567 0.419 309 HH12 ARG 34 HH12 ARG 34 9.124 12.249 0.561 310 HH21 ARG 34 HH22 ARG 34 6.011 11.681 2.086 311 HH22 ARG 34 HH21 ARG 34 7.125 12.888 1.513 312 H ASN 35 H ASN 35 9.172 6.134 5.175 313 HA ASN 35 HA ASN 35 11.461 4.520 5.267 314 HB2 ASN 35 HB3 ASN 35 8.691 4.259 5.534 315 HB3 ASN 35 HB2 ASN 35 9.041 3.310 4.069 316 HD21 ASN 35 HD22 ASN 35 8.061 2.486 6.706 317 HD22 ASN 35 HD21 ASN 35 9.177 1.301 7.290 318 HA PRO 36 HA PRO 36 12.898 4.822 1.023 319 HB2 PRO 36 HB3 PRO 36 13.687 1.967 1.674 320 HB3 PRO 36 HB2 PRO 36 14.638 3.240 0.872 321 HG2 PRO 36 HG3 PRO 36 15.042 2.678 3.436 322 HG3 PRO 36 HG2 PRO 36 15.058 4.365 2.869 323 HD2 PRO 36 HD3 PRO 36 12.977 2.906 4.449 324 HD3 PRO 36 HD2 PRO 36 13.429 4.628 4.484 325 H ARG 37 H ARG 37 11.253 1.823 2.068 326 HA ARG 37 HA ARG 37 10.501 1.030 -0.557 327 HB2 ARG 37 HB3 ARG 37 9.853 0.119 2.193 328 HB3 ARG 37 HB2 ARG 37 8.738 -0.340 0.883 329 HG2 ARG 37 HG3 ARG 37 10.153 -1.865 0.070 330 HG3 ARG 37 HG2 ARG 37 11.550 -0.770 0.202 331 HD2 ARG 37 HD3 ARG 37 10.304 -2.166 2.583 332 HD3 ARG 37 HD2 ARG 37 11.641 -2.862 1.635 333 HE ARG 37 HE ARG 37 13.054 -1.121 2.402 334 HH11 ARG 37 HH11 ARG 37 9.872 -1.038 3.862 335 HH12 ARG 37 HH12 ARG 37 10.361 0.000 5.166 336 HH21 ARG 37 HH22 ARG 37 13.700 0.229 4.106 337 HH22 ARG 37 HH21 ARG 37 12.537 0.722 5.302 338 H GLN 38 H GLN 38 9.135 3.322 1.610 339 HA GLN 38 HA GLN 38 6.423 3.187 0.712 340 HB2 GLN 38 HB3 GLN 38 8.061 5.254 2.159 341 HB3 GLN 38 HB2 GLN 38 6.425 5.635 1.569 342 HG2 GLN 38 HG3 GLN 38 7.143 4.510 4.013 343 HG3 GLN 38 HG2 GLN 38 5.508 4.693 3.333 344 HE21 GLN 38 HE22 GLN 38 4.460 2.910 2.503 345 HE22 GLN 38 HE21 GLN 38 4.990 1.301 2.821 346 H CYS 39 H CYS 39 9.314 4.893 -0.355 347 HA CYS 39 HA CYS 39 8.078 6.602 -2.248 348 HB2 CYS 39 HB3 CYS 39 10.847 5.374 -2.391 349 HB3 CYS 39 HB2 CYS 39 10.281 6.853 -3.204 350 HG CYS 39 HG CYS 39 11.783 7.943 -1.278 351 H ARG 40 H ARG 40 9.289 3.286 -2.387 352 HA ARG 40 HA ARG 40 8.819 2.919 -5.197 353 HB2 ARG 40 HB3 ARG 40 10.415 1.487 -4.058 354 HB3 ARG 40 HB2 ARG 40 9.157 0.921 -2.932 355 HG2 ARG 40 HG3 ARG 40 8.375 -0.605 -4.379 356 HG3 ARG 40 HG2 ARG 40 8.529 0.489 -5.774 357 HD2 ARG 40 HD3 ARG 40 10.035 -1.283 -6.186 358 HD3 ARG 40 HD2 ARG 40 11.037 0.083 -5.641 359 HE ARG 40 HE ARG 40 10.285 -1.696 -3.506 360 HH11 ARG 40 HH11 ARG 40 12.552 -1.235 -6.145 361 HH12 ARG 40 HH12 ARG 40 13.809 -2.158 -5.391 362 HH21 ARG 40 HH22 ARG 40 11.968 -2.876 -2.497 363 HH22 ARG 40 HH21 ARG 40 13.487 -3.062 -3.302 364 H GLU 41 H GLU 41 7.041 2.396 -2.219 365 HA GLU 41 HA GLU 41 4.840 0.968 -3.203 366 HB2 GLU 41 HB3 GLU 41 5.340 1.203 -0.830 367 HB3 GLU 41 HB2 GLU 41 5.032 2.954 -0.920 368 HG2 GLU 41 HG3 GLU 41 2.669 2.424 -1.548 369 HG3 GLU 41 HG2 GLU 41 3.027 0.712 -1.219 370 H ARG 42 H ARG 42 5.482 4.467 -3.062 371 HA ARG 42 HA ARG 42 2.854 5.183 -3.990 372 HB2 ARG 42 HB3 ARG 42 5.244 6.570 -3.126 373 HB3 ARG 42 HB2 ARG 42 4.605 7.285 -4.626 374 HG2 ARG 42 HG3 ARG 42 3.161 6.922 -1.992 375 HG3 ARG 42 HG2 ARG 42 3.646 8.449 -2.768 376 HD2 ARG 42 HD3 ARG 42 1.853 6.557 -4.247 377 HD3 ARG 42 HD2 ARG 42 1.172 7.561 -2.943 378 HE ARG 42 HE ARG 42 2.721 8.991 -4.948 379 HH11 ARG 42 HH11 ARG 42 -0.436 7.887 -3.898 380 HH12 ARG 42 HH12 ARG 42 -1.299 9.081 -4.812 381 HH21 ARG 42 HH22 ARG 42 1.603 10.551 -6.173 382 HH22 ARG 42 HH21 ARG 42 -0.135 10.599 -6.114 383 H TRP 43 H TRP 43 6.048 4.893 -5.494 384 HA TRP 43 HA TRP 43 5.318 5.752 -8.073 385 HB2 TRP 43 HB3 TRP 43 7.602 5.682 -7.730 386 HB3 TRP 43 HB2 TRP 43 7.543 4.091 -6.934 387 HD1 TRP 43 HD1 TRP 43 8.091 2.011 -8.405 388 HE1 TRP 43 HE1 TRP 43 8.581 1.642 -10.898 389 HE3 TRP 43 HE3 TRP 43 6.926 6.676 -10.172 390 HZ2 TRP 43 HZ2 TRP 43 8.508 3.101 -13.301 391 HZ3 TRP 43 HZ3 TRP 43 7.168 7.117 -12.594 392 HH2 TRP 43 HH2 TRP 43 7.947 5.352 -14.134 393 H ASN 44 H ASN 44 5.369 2.503 -6.642 394 HA ASN 44 HA ASN 44 4.520 1.261 -9.103 395 HB2 ASN 44 HB3 ASN 44 5.942 0.215 -7.215 396 HB3 ASN 44 HB2 ASN 44 4.376 -0.105 -6.432 397 HD21 ASN 44 HD22 ASN 44 4.281 -2.279 -6.639 398 HD22 ASN 44 HD21 ASN 44 4.265 -3.116 -8.152 399 H ASN 45 H ASN 45 2.802 2.785 -6.520 400 HA ASN 45 HA ASN 45 0.360 1.387 -7.421 401 HB2 ASN 45 HB3 ASN 45 1.064 2.640 -4.771 402 HB3 ASN 45 HB2 ASN 45 -0.623 2.319 -5.240 403 HD21 ASN 45 HD22 ASN 45 2.417 0.942 -4.336 404 HD22 ASN 45 HD21 ASN 45 1.865 -0.691 -4.103 405 H TYR 46 H TYR 46 1.748 4.013 -8.465 406 HA TYR 46 HA TYR 46 -0.807 5.313 -8.878 407 HB2 TYR 46 HB3 TYR 46 -0.172 6.325 -6.790 408 HB3 TYR 46 HB2 TYR 46 1.432 6.746 -7.438 409 HD1 TYR 46 HD2 TYR 46 -2.167 7.579 -7.489 410 HD2 TYR 46 HD1 TYR 46 1.718 8.644 -8.932 411 HE1 TYR 46 HE2 TYR 46 -3.045 9.755 -8.247 412 HE2 TYR 46 HE1 TYR 46 0.843 10.821 -9.682 413 HH TYR 46 HH TYR 46 -1.123 11.932 -10.192 414 H ILE 47 H ILE 47 2.716 5.670 -9.395 415 HA ILE 47 HA ILE 47 2.128 7.154 -11.843 416 HB ILE 47 HB ILE 47 4.953 6.552 -11.086 417 HG12 ILE 47 HG12 ILE 47 3.218 8.585 -9.643 418 HG13 ILE 47 HG13 ILE 47 3.875 7.091 -8.933 419 HG21 ILE 47 HG21 ILE 47 5.251 8.863 -11.895 420 HG22 ILE 47 HG22 ILE 47 3.491 9.006 -12.119 421 HG23 ILE 47 HG23 ILE 47 4.422 7.846 -13.097 422 HD11 ILE 47 HD11 ILE 47 6.154 7.936 -9.262 423 HD12 ILE 47 HD12 ILE 47 5.182 9.044 -8.264 424 HD13 ILE 47 HD13 ILE 47 5.497 9.430 -9.972 425 H ASN 48 H ASN 48 3.170 3.994 -10.889 426 HA ASN 48 HA ASN 48 4.168 3.306 -13.513 427 HB2 ASN 48 HB3 ASN 48 5.101 2.352 -11.385 428 HB3 ASN 48 HB2 ASN 48 3.607 1.394 -11.241 429 HD21 ASN 48 HD22 ASN 48 4.821 -0.527 -11.355 430 HD22 ASN 48 HD21 ASN 48 5.466 -1.098 -12.858 431 HA PRO 49 HA PRO 49 0.137 0.962 -14.034 432 HB2 PRO 49 HB3 PRO 49 -1.491 0.331 -11.992 433 HB3 PRO 49 HB2 PRO 49 0.126 -0.409 -12.072 434 HG2 PRO 49 HG3 PRO 49 -0.853 1.869 -10.381 435 HG3 PRO 49 HG2 PRO 49 0.263 0.547 -9.962 436 HD2 PRO 49 HD3 PRO 49 0.981 3.163 -10.777 437 HD3 PRO 49 HD2 PRO 49 2.069 1.760 -10.648 438 H ALA 50 H ALA 50 -2.501 1.136 -13.549 439 HA ALA 50 HA ALA 50 -3.228 3.961 -13.196 440 HB1 ALA 50 HB1 ALA 50 -4.647 3.897 -15.212 441 HB2 ALA 50 HB2 ALA 50 -4.034 2.269 -15.585 442 HB3 ALA 50 HB3 ALA 50 -2.927 3.663 -15.605 443 H LEU 51 H LEU 51 -4.075 3.254 -11.198 444 HA LEU 51 HA LEU 51 -6.189 1.267 -11.144 445 HB2 LEU 51 HB3 LEU 51 -6.293 2.421 -8.700 446 HB3 LEU 51 HB2 LEU 51 -5.218 1.074 -9.142 447 HG LEU 51 HG LEU 51 -4.045 3.696 -9.681 448 HD11 LEU 51 HD11 LEU 51 -3.634 4.269 -7.321 449 HD12 LEU 51 HD12 LEU 51 -4.727 2.958 -6.816 450 HD13 LEU 51 HD13 LEU 51 -5.365 4.349 -7.726 451 HD21 LEU 51 HD21 LEU 51 -3.196 1.301 -8.022 452 HD22 LEU 51 HD22 LEU 51 -2.156 2.672 -8.476 453 HD23 LEU 51 HD23 LEU 51 -2.803 1.591 -9.733 454 H ARG 52 H ARG 52 -7.790 2.123 -12.438 455 HA ARG 52 HA ARG 52 -9.478 4.082 -11.120 456 HB2 ARG 52 HB3 ARG 52 -9.767 5.331 -13.335 457 HB3 ARG 52 HB2 ARG 52 -8.316 5.664 -12.358 458 HG2 ARG 52 HG3 ARG 52 -6.910 4.540 -13.843 459 HG3 ARG 52 HG2 ARG 52 -8.260 3.668 -14.609 460 HD2 ARG 52 HD3 ARG 52 -7.232 5.595 -15.928 461 HD3 ARG 52 HD2 ARG 52 -9.003 5.593 -15.748 462 HE ARG 52 HE ARG 52 -8.236 7.143 -13.691 463 HH11 ARG 52 HH11 ARG 52 -7.331 7.152 -17.073 464 HH12 ARG 52 HH12 ARG 52 -7.077 8.871 -17.130 465 HH21 ARG 52 HH22 ARG 52 -7.939 9.406 -13.767 466 HH22 ARG 52 HH21 ARG 52 -7.432 10.154 -15.250 467 H THR 53 H THR 53 -10.826 4.427 -13.794 468 HA THR 53 HA THR 53 -12.947 3.689 -14.418 469 HB THR 53 HB THR 53 -12.690 1.525 -15.766 470 HG1 THR 53 HG1 THR 53 -10.543 1.279 -14.295 471 HG21 THR 53 HG21 THR 53 -12.479 3.769 -16.751 472 HG22 THR 53 HG22 THR 53 -11.317 2.636 -17.482 473 HG23 THR 53 HG23 THR 53 -10.765 3.821 -16.274 474 H ASP 54 H ASP 54 -12.981 3.281 -11.739 475 HA ASP 54 HA ASP 54 -14.161 2.206 -10.127 476 HB2 ASP 54 HB3 ASP 54 -15.209 0.757 -12.542 477 HB3 ASP 54 HB2 ASP 54 -15.640 0.216 -10.902 478 HA PRO 55 HA PRO 55 -11.700 -1.118 -8.658 479 HB2 PRO 55 HB3 PRO 55 -13.469 -2.726 -7.265 480 HB3 PRO 55 HB2 PRO 55 -12.906 -1.146 -6.668 481 HG2 PRO 55 HG3 PRO 55 -15.456 -1.843 -8.108 482 HG3 PRO 55 HG2 PRO 55 -15.215 -0.814 -6.675 483 HD2 PRO 55 HD3 PRO 55 -15.543 0.247 -9.137 484 HD3 PRO 55 HD2 PRO 55 -14.456 0.993 -7.941 485 H TRP 56 H TRP 56 -12.511 -3.853 -8.171 486 HA TRP 56 HA TRP 56 -12.207 -4.869 -10.872 487 HB2 TRP 56 HB3 TRP 56 -12.730 -6.845 -8.760 488 HB3 TRP 56 HB2 TRP 56 -11.411 -6.753 -9.952 489 HD1 TRP 56 HD1 TRP 56 -9.599 -4.514 -9.171 490 HE1 TRP 56 HE1 TRP 56 -8.505 -4.309 -6.853 491 HE3 TRP 56 HE3 TRP 56 -12.794 -7.488 -6.498 492 HZ2 TRP 56 HZ2 TRP 56 -8.905 -5.284 -4.244 493 HZ3 TRP 56 HZ3 TRP 56 -12.369 -7.816 -4.088 494 HH2 TRP 56 HH2 TRP 56 -10.451 -6.730 -2.980 495 H SER 57 H SER 57 -13.555 -6.742 -11.569 496 HA SER 57 HA SER 57 -16.385 -6.028 -11.289 497 HB2 SER 57 HB3 SER 57 -15.605 -8.298 -13.029 498 HB3 SER 57 HB2 SER 57 -16.612 -6.875 -13.390 499 HG SER 57 HG SER 57 -13.764 -7.069 -13.373 500 HA PRO 58 HA PRO 58 -17.700 -9.348 -8.696 501 HB2 PRO 58 HB3 PRO 58 -19.348 -10.449 -10.973 502 HB3 PRO 58 HB2 PRO 58 -19.844 -10.051 -9.310 503 HG2 PRO 58 HG3 PRO 58 -20.475 -8.423 -11.298 504 HG3 PRO 58 HG2 PRO 58 -19.912 -7.754 -9.747 505 HD2 PRO 58 HD3 PRO 58 -18.410 -8.074 -12.343 506 HD3 PRO 58 HD2 PRO 58 -18.391 -6.719 -11.188 507 H GLU 59 H GLU 59 -16.480 -10.188 -11.874 508 HA GLU 59 HA GLU 59 -16.277 -13.017 -11.529 509 HB2 GLU 59 HB3 GLU 59 -15.293 -10.936 -13.389 510 HB3 GLU 59 HB2 GLU 59 -14.217 -12.341 -13.202 511 HG2 GLU 59 HG3 GLU 59 -16.301 -13.754 -13.685 512 HG3 GLU 59 HG2 GLU 59 -17.026 -12.234 -14.264 513 H GLU 60 H GLU 60 -14.108 -10.269 -11.046 514 HA GLU 60 HA GLU 60 -11.878 -11.839 -10.188 515 HB2 GLU 60 HB3 GLU 60 -12.454 -8.886 -9.818 516 HB3 GLU 60 HB2 GLU 60 -10.900 -9.689 -9.491 517 HG2 GLU 60 HG3 GLU 60 -10.466 -8.864 -11.562 518 HG3 GLU 60 HG2 GLU 60 -11.164 -10.437 -12.017 519 H ASP 61 H ASP 61 -14.475 -10.074 -8.557 520 HA ASP 61 HA ASP 61 -13.537 -10.295 -5.918 521 HB2 ASP 61 HB3 ASP 61 -15.342 -8.830 -6.276 522 HB3 ASP 61 HB2 ASP 61 -16.303 -10.075 -7.109 523 H MET 62 H MET 62 -15.551 -12.511 -7.827 524 HA MET 62 HA MET 62 -15.806 -14.368 -5.643 525 HB2 MET 62 HB3 MET 62 -16.569 -14.628 -8.553 526 HB3 MET 62 HB2 MET 62 -16.952 -15.811 -7.279 527 HG2 MET 62 HG3 MET 62 -18.353 -14.253 -6.144 528 HG3 MET 62 HG2 MET 62 -17.815 -12.916 -7.189 529 HE1 MET 62 HE1 MET 62 -21.389 -13.021 -8.518 530 HE2 MET 62 HE2 MET 62 -19.985 -12.013 -8.093 531 HE3 MET 62 HE3 MET 62 -20.778 -13.006 -6.847 532 H LEU 63 H LEU 63 -13.692 -14.101 -8.459 533 HA LEU 63 HA LEU 63 -12.663 -16.779 -8.097 534 HB2 LEU 63 HB3 LEU 63 -12.778 -15.493 -10.298 535 HB3 LEU 63 HB2 LEU 63 -11.357 -14.596 -9.711 536 HG LEU 63 HG LEU 63 -10.122 -16.731 -9.547 537 HD11 LEU 63 HD11 LEU 63 -11.028 -18.733 -10.662 538 HD12 LEU 63 HD12 LEU 63 -12.576 -17.890 -10.906 539 HD13 LEU 63 HD13 LEU 63 -12.011 -18.253 -9.258 540 HD21 LEU 63 HD21 LEU 63 -11.301 -16.119 -12.273 541 HD22 LEU 63 HD22 LEU 63 -9.809 -17.040 -11.968 542 HD23 LEU 63 HD23 LEU 63 -9.898 -15.319 -11.524 543 H LEU 64 H LEU 64 -11.742 -13.517 -7.175 544 HA LEU 64 HA LEU 64 -9.115 -14.087 -6.285 545 HB2 LEU 64 HB3 LEU 64 -10.861 -11.847 -6.294 546 HB3 LEU 64 HB2 LEU 64 -10.285 -12.079 -4.625 547 HG LEU 64 HG LEU 64 -8.601 -11.659 -7.101 548 HD11 LEU 64 HD11 LEU 64 -7.914 -9.591 -5.954 549 HD12 LEU 64 HD12 LEU 64 -9.045 -9.956 -4.630 550 HD13 LEU 64 HD13 LEU 64 -9.666 -9.627 -6.265 551 HD21 LEU 64 HD21 LEU 64 -7.747 -12.142 -4.230 552 HD22 LEU 64 HD22 LEU 64 -6.671 -11.682 -5.571 553 HD23 LEU 64 HD23 LEU 64 -7.512 -13.250 -5.603 554 H ASP 65 H ASP 65 -12.268 -14.368 -4.752 555 HA ASP 65 HA ASP 65 -11.479 -14.763 -2.102 556 HB2 ASP 65 HB3 ASP 65 -13.791 -14.503 -2.551 557 HB3 ASP 65 HB2 ASP 65 -13.803 -15.875 -3.686 558 H GLN 66 H GLN 66 -11.413 -16.959 -4.839 559 HA GLN 66 HA GLN 66 -10.696 -19.256 -3.207 560 HB2 GLN 66 HB3 GLN 66 -12.073 -19.447 -5.281 561 HB3 GLN 66 HB2 GLN 66 -10.646 -18.953 -6.224 562 HG2 GLN 66 HG3 GLN 66 -9.439 -20.932 -5.317 563 HG3 GLN 66 HG2 GLN 66 -10.957 -21.448 -4.543 564 HE21 GLN 66 HE22 GLN 66 -12.662 -22.152 -5.838 565 HE22 GLN 66 HE21 GLN 66 -12.418 -22.654 -7.476 566 H LYS 67 H LYS 67 -9.097 -17.164 -5.610 567 HA LYS 67 HA LYS 67 -6.566 -18.420 -5.547 568 HB2 LYS 67 HB3 LYS 67 -7.252 -15.522 -6.125 569 HB3 LYS 67 HB2 LYS 67 -5.691 -16.304 -6.472 570 HG2 LYS 67 HG3 LYS 67 -8.317 -17.212 -7.664 571 HG3 LYS 67 HG2 LYS 67 -7.239 -16.023 -8.435 572 HD2 LYS 67 HD3 LYS 67 -5.401 -17.788 -8.238 573 HD3 LYS 67 HD2 LYS 67 -6.698 -18.941 -7.838 574 HE2 LYS 67 HE3 LYS 67 -7.842 -18.275 -9.973 575 HE3 LYS 67 HE2 LYS 67 -6.403 -17.309 -10.380 576 HZ1 LYS 67 HZ1 LYS 67 -6.273 -19.435 -11.443 577 HZ2 LYS 67 HZ2 LYS 67 -6.511 -20.252 -9.982 578 HZ3 LYS 67 HZ3 LYS 67 -5.088 -19.377 -10.234 579 H TYR 68 H TYR 68 -8.028 -15.981 -3.511 580 HA TYR 68 HA TYR 68 -5.590 -15.303 -2.101 581 HB2 TYR 68 HB3 TYR 68 -7.217 -13.589 -2.255 582 HB3 TYR 68 HB2 TYR 68 -8.525 -14.675 -1.726 583 HD1 TYR 68 HD1 TYR 68 -5.504 -12.828 -0.563 584 HD2 TYR 68 HD2 TYR 68 -9.072 -14.900 0.569 585 HE1 TYR 68 HE1 TYR 68 -5.241 -12.021 1.751 586 HE2 TYR 68 HE2 TYR 68 -8.805 -14.095 2.884 587 HH TYR 68 HH TYR 68 -6.792 -13.306 4.337 588 H ALA 69 H ALA 69 -8.222 -17.566 -1.771 589 HA ALA 69 HA ALA 69 -7.658 -18.236 0.970 590 HB1 ALA 69 HB1 ALA 69 -9.289 -20.048 0.619 591 HB2 ALA 69 HB2 ALA 69 -9.336 -19.658 -1.117 592 HB3 ALA 69 HB3 ALA 69 -9.914 -18.472 0.077 593 H GLU 70 H GLU 70 -6.320 -19.149 -2.064 594 HA GLU 70 HA GLU 70 -5.205 -21.612 -0.907 595 HB2 GLU 70 HB3 GLU 70 -5.675 -20.677 -3.712 596 HB3 GLU 70 HB2 GLU 70 -4.384 -21.859 -3.386 597 HG2 GLU 70 HG3 GLU 70 -7.294 -22.195 -2.623 598 HG3 GLU 70 HG2 GLU 70 -6.519 -22.903 -4.061 599 H TYR 71 H TYR 71 -4.214 -18.556 -2.456 600 HA TYR 71 HA TYR 71 -1.405 -19.249 -2.023 601 HB2 TYR 71 HB3 TYR 71 -2.767 -16.884 -3.323 602 HB3 TYR 71 HB2 TYR 71 -1.010 -16.971 -3.050 603 HD1 TYR 71 HD1 TYR 71 0.371 -18.571 -4.307 604 HD2 TYR 71 HD2 TYR 71 -3.828 -18.215 -5.048 605 HE1 TYR 71 HE1 TYR 71 0.643 -19.792 -6.433 606 HE2 TYR 71 HE2 TYR 71 -3.558 -19.439 -7.170 607 HH TYR 71 HH TYR 71 -2.124 -20.325 -8.607 608 H GLY 72 H GLY 72 -3.867 -17.067 -0.787 609 HA2 GLY 72 HA3 GLY 72 -3.838 -16.466 1.555 610 HA3 GLY 72 HA2 GLY 72 -2.059 -16.452 1.467 611 HA PRO 73 HA PRO 73 -3.589 -12.101 0.824 612 HB2 PRO 73 HB3 PRO 73 -2.098 -10.925 2.802 613 HB3 PRO 73 HB2 PRO 73 -3.666 -11.699 3.138 614 HG2 PRO 73 HG3 PRO 73 -0.884 -12.774 3.521 615 HG3 PRO 73 HG2 PRO 73 -2.294 -12.877 4.603 616 HD2 PRO 73 HD3 PRO 73 -1.505 -14.926 2.964 617 HD3 PRO 73 HD2 PRO 73 -3.196 -14.672 3.461 618 H LYS 74 H LYS 74 -1.573 -13.580 -0.599 619 HA LYS 74 HA LYS 74 0.810 -11.889 -0.614 620 HB2 LYS 74 HB3 LYS 74 0.115 -14.400 -2.164 621 HB3 LYS 74 HB2 LYS 74 1.660 -13.522 -2.277 622 HG2 LYS 74 HG3 LYS 74 2.163 -14.002 0.031 623 HG3 LYS 74 HG2 LYS 74 0.558 -14.735 0.270 624 HD2 LYS 74 HD3 LYS 74 1.114 -16.503 -1.333 625 HD3 LYS 74 HD2 LYS 74 2.709 -15.762 -1.610 626 HE2 LYS 74 HE3 LYS 74 2.832 -17.661 -0.040 627 HE3 LYS 74 HE2 LYS 74 3.315 -16.128 0.725 628 HZ1 LYS 74 HZ1 LYS 74 1.271 -16.008 1.872 629 HZ2 LYS 74 HZ2 LYS 74 1.812 -17.598 2.064 630 HZ3 LYS 74 HZ3 LYS 74 0.573 -17.258 0.960 631 H TRP 75 H TRP 75 -1.001 -10.242 -1.252 632 HA TRP 75 HA TRP 75 -2.053 -10.055 -3.796 633 HB2 TRP 75 HB3 TRP 75 -0.976 -7.730 -2.195 634 HB3 TRP 75 HB2 TRP 75 -2.184 -7.665 -3.501 635 HD1 TRP 75 HD1 TRP 75 -2.033 -7.642 0.127 636 HE1 TRP 75 HE1 TRP 75 -4.247 -8.374 1.185 637 HE3 TRP 75 HE3 TRP 75 -4.253 -9.702 -3.995 638 HZ2 TRP 75 HZ2 TRP 75 -6.637 -9.639 0.411 639 HZ3 TRP 75 HZ3 TRP 75 -6.521 -10.663 -3.759 640 HH2 TRP 75 HH2 TRP 75 -7.694 -10.622 -1.589 641 H ASN 76 H ASN 76 1.254 -9.631 -2.853 642 HA ASN 76 HA ASN 76 2.331 -8.215 -4.997 643 HB2 ASN 76 HB3 ASN 76 3.601 -8.926 -2.994 644 HB3 ASN 76 HB2 ASN 76 3.497 -10.619 -3.535 645 HD21 ASN 76 HD22 ASN 76 5.572 -8.200 -3.244 646 HD22 ASN 76 HD21 ASN 76 6.610 -8.495 -4.605 647 H LYS 77 H LYS 77 1.560 -11.653 -4.682 648 HA LYS 77 HA LYS 77 2.399 -12.293 -7.380 649 HB2 LYS 77 HB3 LYS 77 1.207 -13.792 -5.067 650 HB3 LYS 77 HB2 LYS 77 1.114 -14.493 -6.701 651 HG2 LYS 77 HG3 LYS 77 3.020 -15.384 -5.487 652 HG3 LYS 77 HG2 LYS 77 3.562 -14.407 -6.872 653 HD2 LYS 77 HD3 LYS 77 4.026 -12.521 -5.379 654 HD3 LYS 77 HD2 LYS 77 3.443 -13.465 -3.987 655 HE2 LYS 77 HE3 LYS 77 5.960 -13.360 -4.288 656 HE3 LYS 77 HE2 LYS 77 5.256 -14.988 -4.133 657 HZ1 LYS 77 HZ1 LYS 77 5.443 -15.312 -6.469 658 HZ2 LYS 77 HZ2 LYS 77 6.941 -14.765 -5.916 659 HZ3 LYS 77 HZ3 LYS 77 5.910 -13.707 -6.735 660 H ILE 78 H ILE 78 -0.633 -11.803 -5.624 661 HA ILE 78 HA ILE 78 -2.431 -12.642 -7.605 662 HB ILE 78 HB ILE 78 -2.774 -10.511 -5.473 663 HG12 ILE 78 HG12 ILE 78 -2.245 -12.687 -4.554 664 HG13 ILE 78 HG13 ILE 78 -3.945 -12.271 -4.230 665 HG21 ILE 78 HG21 ILE 78 -5.196 -10.832 -5.767 666 HG22 ILE 78 HG22 ILE 78 -4.879 -11.904 -7.152 667 HG23 ILE 78 HG23 ILE 78 -4.425 -10.185 -7.234 668 HD11 ILE 78 HD11 ILE 78 -4.655 -13.754 -6.050 669 HD12 ILE 78 HD12 ILE 78 -3.704 -14.628 -4.825 670 HD13 ILE 78 HD13 ILE 78 -2.955 -14.170 -6.374 671 H SER 79 H SER 79 -1.002 -9.420 -7.057 672 HA SER 79 HA SER 79 -2.475 -8.078 -9.057 673 HB2 SER 79 HB3 SER 79 -0.488 -6.443 -8.956 674 HB3 SER 79 HB2 SER 79 -1.451 -6.692 -7.479 675 HG SER 79 HG SER 79 0.168 -7.929 -6.626 676 H LYS 80 H LYS 80 -0.020 -10.395 -9.348 677 HA LYS 80 HA LYS 80 0.875 -9.399 -11.946 678 HB2 LYS 80 HB3 LYS 80 1.748 -11.730 -10.239 679 HB3 LYS 80 HB2 LYS 80 2.335 -11.465 -11.899 680 HG2 LYS 80 HG3 LYS 80 3.334 -9.380 -11.294 681 HG3 LYS 80 HG2 LYS 80 2.562 -9.409 -9.691 682 HD2 LYS 80 HD3 LYS 80 3.875 -11.392 -9.089 683 HD3 LYS 80 HD2 LYS 80 4.640 -11.378 -10.696 684 HE2 LYS 80 HE3 LYS 80 6.051 -10.356 -8.918 685 HE3 LYS 80 HE2 LYS 80 5.668 -9.239 -10.250 686 HZ1 LYS 80 HZ1 LYS 80 4.001 -9.289 -7.811 687 HZ2 LYS 80 HZ2 LYS 80 4.227 -8.036 -8.928 688 HZ3 LYS 80 HZ3 LYS 80 5.458 -8.429 -7.837 689 H PHE 81 H PHE 81 -1.380 -11.644 -10.608 690 HA PHE 81 HA PHE 81 -1.703 -13.147 -13.089 691 HB2 PHE 81 HB3 PHE 81 -3.339 -13.152 -10.530 692 HB3 PHE 81 HB2 PHE 81 -3.554 -14.265 -11.903 693 HD1 PHE 81 HD2 PHE 81 -0.851 -15.058 -12.583 694 HD2 PHE 81 HD1 PHE 81 -2.599 -14.397 -8.738 695 HE1 PHE 81 HE2 PHE 81 0.784 -16.605 -11.577 696 HE2 PHE 81 HE1 PHE 81 -0.963 -15.937 -7.724 697 HZ PHE 81 HZ PHE 81 0.732 -17.046 -9.144 698 H LEU 82 H LEU 82 -2.996 -10.388 -11.475 699 HA LEU 82 HA LEU 82 -5.082 -10.083 -13.556 700 HB2 LEU 82 HB3 LEU 82 -5.033 -9.309 -10.637 701 HB3 LEU 82 HB2 LEU 82 -6.086 -8.469 -11.801 702 HG LEU 82 HG LEU 82 -7.478 -9.999 -10.776 703 HD11 LEU 82 HD11 LEU 82 -8.043 -11.685 -12.475 704 HD12 LEU 82 HD12 LEU 82 -6.491 -11.372 -13.288 705 HD13 LEU 82 HD13 LEU 82 -7.718 -10.087 -13.188 706 HD21 LEU 82 HD21 LEU 82 -5.325 -12.110 -11.051 707 HD22 LEU 82 HD22 LEU 82 -6.957 -12.371 -10.390 708 HD23 LEU 82 HD23 LEU 82 -5.823 -11.283 -9.555 709 H LYS 83 H LYS 83 -3.751 -8.992 -14.970 710 HA LYS 83 HA LYS 83 -1.996 -6.882 -14.192 711 HB2 LYS 83 HB3 LYS 83 -1.745 -8.321 -16.229 712 HB3 LYS 83 HB2 LYS 83 -3.106 -7.429 -16.952 713 HG2 LYS 83 HG3 LYS 83 -1.653 -5.326 -16.410 714 HG3 LYS 83 HG2 LYS 83 -0.318 -6.503 -16.345 715 HD2 LYS 83 HD3 LYS 83 -0.882 -7.273 -18.607 716 HD3 LYS 83 HD2 LYS 83 -2.227 -6.108 -18.672 717 HE2 LYS 83 HE3 LYS 83 -0.518 -4.288 -18.270 718 HE3 LYS 83 HE2 LYS 83 0.739 -5.523 -18.523 719 HZ1 LYS 83 HZ1 LYS 83 -0.239 -5.938 -20.726 720 HZ2 LYS 83 HZ2 LYS 83 0.331 -4.357 -20.562 721 HZ3 LYS 83 HZ3 LYS 83 -1.330 -4.669 -20.483 722 H ASN 84 H ASN 84 -3.282 -5.496 -12.981 723 HA ASN 84 HA ASN 84 -4.272 -3.248 -14.364 724 HB2 ASN 84 HB3 ASN 84 -6.152 -4.886 -14.816 725 HB3 ASN 84 HB2 ASN 84 -6.510 -4.828 -13.072 726 HD21 ASN 84 HD22 ASN 84 -6.465 -3.016 -16.063 727 HD22 ASN 84 HD21 ASN 84 -7.492 -1.738 -15.522 728 H ARG 85 H ARG 85 -4.580 -5.112 -11.347 729 HA ARG 85 HA ARG 85 -4.601 -2.552 -9.882 730 HB2 ARG 85 HB3 ARG 85 -5.482 -5.313 -9.045 731 HB3 ARG 85 HB2 ARG 85 -5.353 -3.930 -7.931 732 HG2 ARG 85 HG3 ARG 85 -7.174 -4.195 -10.328 733 HG3 ARG 85 HG2 ARG 85 -7.637 -4.168 -8.610 734 HD2 ARG 85 HD3 ARG 85 -7.509 -1.919 -8.484 735 HD3 ARG 85 HD2 ARG 85 -6.034 -1.851 -9.478 736 HE ARG 85 HE ARG 85 -7.579 -2.216 -11.425 737 HH11 ARG 85 HH11 ARG 85 -8.659 -0.638 -8.493 738 HH12 ARG 85 HH12 ARG 85 -9.983 0.169 -9.265 739 HH21 ARG 85 HH22 ARG 85 -9.294 -1.160 -12.439 740 HH22 ARG 85 HH21 ARG 85 -10.348 -0.123 -11.519 741 H SER 86 H SER 86 -3.205 -2.082 -8.289 742 HA SER 86 HA SER 86 -0.748 -3.682 -8.180 743 HB2 SER 86 HB3 SER 86 -0.940 -1.001 -6.892 744 HB3 SER 86 HB2 SER 86 0.368 -1.715 -7.867 745 HG SER 86 HG SER 86 -0.960 -1.401 -9.722 746 H ASP 87 H ASP 87 0.379 -3.723 -6.085 747 HA ASP 87 HA ASP 87 -0.892 -5.186 -4.184 748 HB2 ASP 87 HB3 ASP 87 1.029 -4.364 -2.644 749 HB3 ASP 87 HB2 ASP 87 1.370 -5.338 -4.095 750 H ASN 88 H ASN 88 0.219 -1.949 -3.127 751 HA ASN 88 HA ASN 88 -1.401 -1.886 -0.857 752 HB2 ASN 88 HB3 ASN 88 0.535 -0.240 -1.778 753 HB3 ASN 88 HB2 ASN 88 -0.902 0.770 -2.064 754 HD21 ASN 88 HD22 ASN 88 -0.892 2.248 -0.474 755 HD22 ASN 88 HD21 ASN 88 -0.757 1.928 1.224 756 H ASN 89 H ASN 89 -2.328 -1.272 -4.133 757 HA ASN 89 HA ASN 89 -4.742 0.162 -3.446 758 HB2 ASN 89 HB3 ASN 89 -3.665 0.584 -5.595 759 HB3 ASN 89 HB2 ASN 89 -3.927 -1.111 -6.072 760 HD21 ASN 89 HD22 ASN 89 -5.501 1.939 -5.347 761 HD22 ASN 89 HD21 ASN 89 -6.980 1.593 -6.173 762 H ILE 90 H ILE 90 -3.997 -3.164 -4.529 763 HA ILE 90 HA ILE 90 -6.662 -4.088 -4.602 764 HB ILE 90 HB ILE 90 -4.162 -5.696 -3.948 765 HG12 ILE 90 HG12 ILE 90 -5.657 -5.323 -6.559 766 HG13 ILE 90 HG13 ILE 90 -4.094 -4.579 -6.143 767 HG21 ILE 90 HG21 ILE 90 -5.515 -7.647 -4.624 768 HG22 ILE 90 HG22 ILE 90 -6.936 -6.591 -4.811 769 HG23 ILE 90 HG23 ILE 90 -6.207 -6.826 -3.204 770 HD11 ILE 90 HD11 ILE 90 -3.074 -6.804 -5.992 771 HD12 ILE 90 HD12 ILE 90 -3.795 -6.522 -7.594 772 HD13 ILE 90 HD13 ILE 90 -4.636 -7.548 -6.408 773 H ARG 91 H ARG 91 -4.253 -4.202 -1.989 774 HA ARG 91 HA ARG 91 -5.801 -5.517 -0.072 775 HB2 ARG 91 HB3 ARG 91 -3.434 -5.157 0.243 776 HB3 ARG 91 HB2 ARG 91 -3.670 -3.393 0.284 777 HG2 ARG 91 HG3 ARG 91 -3.302 -4.396 2.522 778 HG3 ARG 91 HG2 ARG 91 -4.860 -3.547 2.375 779 HD2 ARG 91 HD3 ARG 91 -5.641 -6.017 1.647 780 HD3 ARG 91 HD2 ARG 91 -4.279 -6.448 2.710 781 HE ARG 91 HE ARG 91 -6.783 -5.163 3.487 782 HH11 ARG 91 HH11 ARG 91 -3.593 -6.252 4.369 783 HH12 ARG 91 HH12 ARG 91 -3.892 -6.160 6.080 784 HH21 ARG 91 HH22 ARG 91 -7.192 -5.059 5.752 785 HH22 ARG 91 HH21 ARG 91 -5.925 -5.491 6.861 786 H ASN 92 H ASN 92 -5.553 -2.045 -0.765 787 HA ASN 92 HA ASN 92 -7.250 -1.119 1.288 788 HB2 ASN 92 HB3 ASN 92 -5.943 -0.040 -1.067 789 HB3 ASN 92 HB2 ASN 92 -7.595 0.605 -0.910 790 HD21 ASN 92 HD22 ASN 92 -6.862 2.664 -0.427 791 HD22 ASN 92 HD21 ASN 92 -6.141 3.058 1.094 792 H ARG 93 H ARG 93 -7.932 -1.952 -2.105 793 HA ARG 93 HA ARG 93 -10.720 -1.404 -1.926 794 HB2 ARG 93 HB3 ARG 93 -9.149 -3.046 -3.918 795 HB3 ARG 93 HB2 ARG 93 -10.879 -2.656 -4.072 796 HG2 ARG 93 HG3 ARG 93 -8.598 -0.663 -3.973 797 HG3 ARG 93 HG2 ARG 93 -9.509 -1.152 -5.422 798 HD2 ARG 93 HD3 ARG 93 -11.293 0.132 -4.893 799 HD3 ARG 93 HD2 ARG 93 -11.162 -0.225 -3.153 800 HE ARG 93 HE ARG 93 -9.223 1.609 -4.374 801 HH11 ARG 93 HH11 ARG 93 -12.010 1.110 -2.329 802 HH12 ARG 93 HH12 ARG 93 -11.864 2.640 -1.521 803 HH21 ARG 93 HH22 ARG 93 -8.986 3.616 -3.292 804 HH22 ARG 93 HH21 ARG 93 -10.139 4.067 -2.078 805 H TRP 94 H TRP 94 -8.829 -4.352 -1.469 806 HA TRP 94 HA TRP 94 -10.949 -6.206 -1.401 807 HB2 TRP 94 HB3 TRP 94 -8.601 -6.867 -1.537 808 HB3 TRP 94 HB2 TRP 94 -8.312 -6.229 0.099 809 HD1 TRP 94 HD1 TRP 94 -8.597 -7.895 2.055 810 HE1 TRP 94 HE1 TRP 94 -9.482 -10.296 2.287 811 HE3 TRP 94 HE3 TRP 94 -10.538 -8.515 -2.649 812 HZ2 TRP 94 HZ2 TRP 94 -10.820 -12.207 0.724 813 HZ3 TRP 94 HZ3 TRP 94 -11.614 -10.670 -3.206 814 HH2 TRP 94 HH2 TRP 94 -11.754 -12.487 -1.543 815 H MET 95 H MET 95 -9.474 -4.265 1.170 816 HA MET 95 HA MET 95 -11.062 -5.306 3.289 817 HB2 MET 95 HB3 MET 95 -8.891 -4.055 3.512 818 HB3 MET 95 HB2 MET 95 -9.781 -2.566 3.115 819 HG2 MET 95 HG3 MET 95 -10.937 -2.566 5.123 820 HG3 MET 95 HG2 MET 95 -10.657 -4.302 5.401 821 HE1 MET 95 HE1 MET 95 -8.781 -2.407 8.359 822 HE2 MET 95 HE2 MET 95 -10.078 -3.557 7.956 823 HE3 MET 95 HE3 MET 95 -10.248 -1.838 7.528 824 H MET 96 H MET 96 -11.384 -2.493 1.168 825 HA MET 96 HA MET 96 -13.705 -1.403 2.376 826 HB2 MET 96 HB3 MET 96 -12.315 -0.074 0.915 827 HB3 MET 96 HB2 MET 96 -12.630 -1.174 -0.449 828 HG2 MET 96 HG3 MET 96 -15.162 -0.440 0.233 829 HG3 MET 96 HG2 MET 96 -14.252 1.035 0.640 830 HE1 MET 96 HE1 MET 96 -15.788 1.956 -2.848 831 HE2 MET 96 HE2 MET 96 -15.585 2.449 -1.150 832 HE3 MET 96 HE3 MET 96 -16.551 1.009 -1.549 833 H ILE 97 H ILE 97 -13.322 -3.546 -0.459 834 HA ILE 97 HA ILE 97 -16.116 -3.718 -0.958 835 HB ILE 97 HB ILE 97 -14.211 -4.184 -2.614 836 HG12 ILE 97 HG12 ILE 97 -15.617 -5.832 -3.866 837 HG13 ILE 97 HG13 ILE 97 -16.649 -5.962 -2.422 838 HG21 ILE 97 HG21 ILE 97 -13.581 -6.547 -2.879 839 HG22 ILE 97 HG22 ILE 97 -14.427 -6.937 -1.363 840 HG23 ILE 97 HG23 ILE 97 -13.003 -5.870 -1.338 841 HD11 ILE 97 HD11 ILE 97 -17.172 -3.568 -2.582 842 HD12 ILE 97 HD12 ILE 97 -17.614 -4.435 -4.072 843 HD13 ILE 97 HD13 ILE 97 -16.140 -3.439 -4.026 844 H ALA 98 H ALA 98 -13.939 -5.578 1.053 845 HA ALA 98 HA ALA 98 -15.621 -7.813 1.474 846 HB1 ALA 98 HB1 ALA 98 -14.279 -8.221 3.496 847 HB2 ALA 98 HB2 ALA 98 -13.544 -6.609 3.328 848 HB3 ALA 98 HB3 ALA 98 -13.257 -7.852 2.087 849 H ARG 99 H ARG 99 -15.475 -4.627 2.953 850 HA ARG 99 HA ARG 99 -17.279 -5.209 5.100 851 HB2 ARG 99 HB3 ARG 99 -15.607 -3.270 4.906 852 HB3 ARG 99 HB2 ARG 99 -16.842 -2.475 3.900 853 HG2 ARG 99 HG3 ARG 99 -18.325 -2.245 5.679 854 HG3 ARG 99 HG2 ARG 99 -17.524 -3.511 6.640 855 HD2 ARG 99 HD3 ARG 99 -16.865 -1.533 7.691 856 HD3 ARG 99 HD2 ARG 99 -15.483 -1.926 6.640 857 HE ARG 99 HE ARG 99 -16.235 -0.194 5.133 858 HH11 ARG 99 HH11 ARG 99 -17.731 -0.214 8.305 859 HH12 ARG 99 HH12 ARG 99 -18.240 1.444 8.212 860 HH21 ARG 99 HH22 ARG 99 -16.867 2.019 5.041 861 HH22 ARG 99 HH21 ARG 99 -17.739 2.707 6.374 862 H HIS 100 H HIS 100 -17.674 -4.501 1.751 863 HA HIS 100 HA HIS 100 -20.487 -3.729 2.012 864 HB2 HIS 100 HB3 HIS 100 -18.860 -2.763 0.297 865 HB3 HIS 100 HB2 HIS 100 -18.959 -4.336 -0.532 866 HD1 HIS 100 HD1 HIS 100 -20.758 -4.521 -2.237 867 HD2 HIS 100 HD2 HIS 100 -21.542 -1.493 0.513 868 HE1 HIS 100 HE1 HIS 100 -22.836 -3.366 -3.084 869 HE2 HIS 100 HE2 HIS 100 -23.378 -1.658 -1.308 870 H ARG 101 H ARG 101 -18.494 -6.460 1.170 871 HA ARG 101 HA ARG 101 -20.631 -8.109 0.157 872 HB2 ARG 101 HB3 ARG 101 -18.244 -8.326 -0.521 873 HB3 ARG 101 HB2 ARG 101 -17.856 -8.864 1.132 874 HG2 ARG 101 HG3 ARG 101 -17.995 -10.862 0.004 875 HG3 ARG 101 HG2 ARG 101 -19.643 -10.703 0.659 876 HD2 ARG 101 HD3 ARG 101 -18.958 -9.656 -2.079 877 HD3 ARG 101 HD2 ARG 101 -19.330 -11.379 -1.827 878 HE ARG 101 HE ARG 101 -21.180 -9.119 -1.515 879 HH11 ARG 101 HH11 ARG 101 -20.578 -12.559 -1.475 880 HH12 ARG 101 HH12 ARG 101 -22.254 -12.991 -1.588 881 HH21 ARG 101 HH22 ARG 101 -23.397 -9.669 -1.672 882 HH22 ARG 101 HH21 ARG 101 -23.866 -11.341 -1.710 883 H ALA 102 H ALA 102 -19.101 -7.512 3.229 884 HA ALA 102 HA ALA 102 -20.037 -9.788 4.632 885 HB1 ALA 102 HB1 ALA 102 -19.448 -8.536 6.666 886 HB2 ALA 102 HB2 ALA 102 -19.214 -7.072 5.681 887 HB3 ALA 102 HB3 ALA 102 -18.161 -8.486 5.438 888 H LYS 103 H LYS 103 -21.888 -7.410 3.330 889 HA LYS 103 HA LYS 103 -24.046 -6.761 3.557 890 HB2 LYS 103 HB3 LYS 103 -24.153 -9.171 5.377 891 HB3 LYS 103 HB2 LYS 103 -25.572 -8.236 4.848 892 HG2 LYS 103 HG3 LYS 103 -23.659 -9.638 2.968 893 HG3 LYS 103 HG2 LYS 103 -25.177 -10.346 3.572 894 HD2 LYS 103 HD3 LYS 103 -26.341 -8.277 2.640 895 HD3 LYS 103 HD2 LYS 103 -24.810 -7.918 1.804 896 HE2 LYS 103 HE3 LYS 103 -26.289 -9.117 0.305 897 HE3 LYS 103 HE2 LYS 103 -24.906 -10.153 0.735 898 HZ1 LYS 103 HZ1 LYS 103 -27.602 -10.300 1.989 899 HZ2 LYS 103 HZ2 LYS 103 -26.292 -11.318 2.310 900 HZ3 LYS 103 HZ3 LYS 103 -27.025 -11.344 0.789 901 H HIS 104 H HIS 104 -25.816 -6.682 5.615 902 HA HIS 104 HA HIS 104 -24.525 -5.374 7.885 903 HB2 HIS 104 HB3 HIS 104 -26.057 -3.380 7.640 904 HB3 HIS 104 HB2 HIS 104 -24.714 -3.478 6.476 905 HD1 HIS 104 HD1 HIS 104 -28.441 -3.505 6.697 906 HD2 HIS 104 HD2 HIS 104 -25.492 -3.966 3.795 907 HE1 HIS 104 HE1 HIS 104 -29.644 -3.353 4.489 908 HE2 HIS 104 HE2 HIS 104 -27.810 -3.452 2.760 909 H GLN 105 H GLN 105 -25.460 -6.188 9.613 910 HA GLN 105 HA GLN 105 -28.238 -7.166 9.409 911 HB2 GLN 105 HB3 GLN 105 -26.140 -7.790 11.507 912 HB3 GLN 105 HB2 GLN 105 -27.748 -8.538 11.350 913 HG2 GLN 105 HG3 GLN 105 -27.071 -9.458 9.159 914 HG3 GLN 105 HG2 GLN 105 -25.447 -8.769 9.398 915 HE21 GLN 105 HE22 GLN 105 -25.475 -9.328 12.263 916 HE22 GLN 105 HE21 GLN 105 -25.227 -11.032 12.429 917 H LYS 106 H LYS 106 -29.766 -6.578 10.958 918 HA LYS 106 HA LYS 106 -29.076 -4.728 13.079 919 HB2 LYS 106 HB3 LYS 106 -29.307 -3.386 10.891 920 HB3 LYS 106 HB2 LYS 106 -31.042 -3.769 10.998 921 HG2 LYS 106 HG3 LYS 106 -31.176 -2.646 13.155 922 HG3 LYS 106 HG2 LYS 106 -29.430 -2.304 13.102 923 HD2 LYS 106 HD3 LYS 106 -29.784 -0.992 11.024 924 HD3 LYS 106 HD2 LYS 106 -31.535 -1.279 11.170 925 HE2 LYS 106 HE3 LYS 106 -29.797 0.130 13.221 926 HE3 LYS 106 HE2 LYS 106 -30.877 0.929 12.053 927 HZ1 LYS 106 HZ1 LYS 106 -31.897 0.712 14.240 928 HZ2 LYS 106 HZ2 LYS 106 -31.738 -0.968 14.180 929 HZ3 LYS 106 HZ3 LYS 106 -32.756 -0.178 13.087 930 H SER 107 H SER 107 -31.728 -6.029 11.095 931 HA SER 107 HA SER 107 -32.995 -7.111 13.493 932 HB2 SER 107 HB3 SER 107 -34.464 -5.211 11.630 933 HB3 SER 107 HB2 SER 107 -35.171 -6.103 12.999 934 HG SER 107 HG SER 107 -33.183 -4.898 14.085 935 H5' DA 1 H5' DA 1 -22.110 17.133 11.470 936 H5'' DA 1 H5'' DA 1 -22.031 16.589 13.157 937 H4' DA 1 H4' DA 1 -22.890 14.763 12.039 938 H3' DA 1 H3' DA 1 -20.602 14.265 13.292 939 H2' DA 1 H2' DA 1 -19.032 14.699 11.563 940 H2'' DA 1 H2'' DA 1 -19.318 12.999 11.230 941 H1' DA 1 H1' DA 1 -20.697 13.413 9.397 942 H8 DA 1 H8 DA 1 -18.822 16.585 10.550 943 H61 DA 1 H61 DA 1 -17.262 18.004 6.189 944 H62 DA 1 H62 DA 1 -17.532 17.437 4.558 945 H2 DA 1 H2 DA 1 -20.282 13.892 4.906 946 HO5' DA 1 HO5' DA 1 -19.843 16.228 12.916 947 H5' DA 2 H5' DA 2 -22.067 11.904 9.249 948 H5'' DA 2 H5'' DA 2 -22.644 10.663 10.380 949 H4' DA 2 H4' DA 2 -22.452 9.503 8.404 950 H3' DA 2 H3' DA 2 -20.865 8.568 10.326 951 H2' DA 2 H2' DA 2 -18.852 9.741 9.873 952 H2'' DA 2 H2'' DA 2 -18.580 8.359 8.827 953 H1' DA 2 H1' DA 2 -19.120 9.507 6.879 954 H8 DA 2 H8 DA 2 -18.442 11.788 9.903 955 H61 DA 2 H61 DA 2 -15.712 15.065 7.592 956 H62 DA 2 H62 DA 2 -15.288 15.320 5.914 957 H2 DA 2 H2 DA 2 -17.338 12.061 3.587 958 H5' DG 3 H5' DG 3 -20.202 8.513 5.660 959 H5'' DG 3 H5'' DG 3 -20.962 6.912 5.731 960 H4' DG 3 H4' DG 3 -20.030 6.928 3.635 961 H3' DG 3 H3' DG 3 -19.025 5.025 5.190 962 H2' DG 3 H2' DG 3 -17.146 6.158 6.120 963 H2'' DG 3 H2'' DG 3 -16.376 5.485 4.694 964 H1' DG 3 H1' DG 3 -16.415 7.495 3.511 965 H8 DG 3 H8 DG 3 -17.042 7.915 7.286 966 H1 DG 3 H1 DG 3 -13.181 12.269 4.585 967 H21 DG 3 H21 DG 3 -14.108 10.777 1.598 968 H22 DG 3 H22 DG 3 -13.166 12.022 2.383 969 H5' DA 4 H5' DA 4 -16.692 7.064 1.462 970 H5'' DA 4 H5'' DA 4 -17.269 5.639 0.574 971 H4' DA 4 H4' DA 4 -15.598 6.415 -0.794 972 H3' DA 4 H3' DA 4 -15.062 3.987 0.144 973 H2' DA 4 H2' DA 4 -13.848 4.526 2.125 974 H2'' DA 4 H2'' DA 4 -12.500 4.484 1.000 975 H1' DA 4 H1' DA 4 -12.311 6.779 0.847 976 H8 DA 4 H8 DA 4 -14.498 5.625 3.799 977 H61 DA 4 H61 DA 4 -12.547 8.523 7.163 978 H62 DA 4 H62 DA 4 -11.388 9.831 7.115 979 H2 DA 4 H2 DA 4 -10.206 10.292 2.793 980 H5' DT 5 H5' DT 5 -11.991 7.081 -1.114 981 H5'' DT 5 H5'' DT 5 -11.910 6.359 -2.733 982 H4' DT 5 H4' DT 5 -10.134 7.785 -2.804 983 H3' DT 5 H3' DT 5 -9.361 5.231 -2.909 984 H2' DT 5 H2' DT 5 -8.865 4.802 -0.625 985 H2'' DT 5 H2'' DT 5 -7.303 5.445 -1.104 986 H1' DT 5 H1' DT 5 -7.667 7.531 -0.147 987 H3 DT 5 H3 DT 5 -8.401 7.661 4.245 988 H71 DT 5 H71 DT 5 -12.034 4.478 3.380 989 H72 DT 5 H72 DT 5 -10.632 3.558 3.976 990 H73 DT 5 H73 DT 5 -11.109 3.444 2.265 991 H6 DT 5 H6 DT 5 -10.202 4.986 0.728 992 H5' DA 6 H5' DA 6 -6.571 8.542 -1.295 993 H5'' DA 6 H5'' DA 6 -5.883 8.727 -2.921 994 H4' DA 6 H4' DA 6 -4.325 9.775 -1.612 995 H3' DA 6 H3' DA 6 -3.395 7.603 -2.872 996 H2' DA 6 H2' DA 6 -3.516 5.958 -1.181 997 H2'' DA 6 H2'' DA 6 -1.966 6.639 -0.717 998 H1' DA 6 H1' DA 6 -2.820 7.823 1.070 999 H8 DA 6 H8 DA 6 -5.162 5.079 -0.241 1000 H61 DA 6 H61 DA 6 -6.768 3.555 4.090 1001 H62 DA 6 H62 DA 6 -6.562 4.152 5.723 1002 H2 DA 6 H2 DA 6 -3.985 7.820 5.437 1003 H5' DA 7 H5' DA 7 -1.620 9.058 1.238 1004 H5'' DA 7 H5'' DA 7 -0.696 10.146 0.188 1005 H4' DA 7 H4' DA 7 0.532 10.278 2.088 1006 H3' DA 7 H3' DA 7 1.888 9.019 0.155 1007 H2' DA 7 H2' DA 7 1.532 6.747 0.671 1008 H2'' DA 7 H2'' DA 7 2.846 7.004 1.807 1009 H1' DA 7 H1' DA 7 1.501 7.080 3.649 1010 H8 DA 7 H8 DA 7 0.068 5.443 0.549 1011 H61 DA 7 H61 DA 7 -2.841 2.229 2.759 1012 H62 DA 7 H62 DA 7 -3.361 2.026 4.419 1013 H2 DA 7 H2 DA 7 -1.416 5.296 6.791 1014 H5' DC 8 H5' DC 8 2.761 9.310 4.755 1015 H5'' DC 8 H5'' DC 8 4.292 10.196 4.606 1016 H4' DC 8 H4' DC 8 4.292 9.370 6.776 1017 H3' DC 8 H3' DC 8 6.359 8.611 5.245 1018 H2' DC 8 H2' DC 8 5.672 6.463 4.529 1019 H2'' DC 8 H2'' DC 8 6.331 5.976 6.079 1020 H1' DC 8 H1' DC 8 4.276 5.747 7.096 1021 H41 DC 8 H41 DC 8 1.371 2.970 1.884 1022 H42 DC 8 H42 DC 8 0.658 2.181 3.284 1023 H5 DC 8 H5 DC 8 2.915 4.776 1.968 1024 H6 DC 8 H6 DC 8 4.175 6.253 3.441 1025 H5' DG 9 H5' DG 9 4.991 6.707 9.635 1026 H5'' DG 9 H5'' DG 9 6.523 7.325 10.284 1027 H4' DG 9 H4' DG 9 5.828 5.662 11.770 1028 H3' DG 9 H3' DG 9 8.267 5.390 10.701 1029 H2' DG 9 H2' DG 9 7.872 3.882 8.930 1030 H2'' DG 9 H2'' DG 9 8.034 2.682 10.202 1031 H1' DG 9 H1' DG 9 5.767 2.276 10.355 1032 H8 DG 9 H8 DG 9 6.457 4.589 7.345 1033 H1 DG 9 H1 DG 9 2.713 -0.483 6.144 1034 H21 DG 9 H21 DG 9 3.004 -1.102 9.551 1035 H22 DG 9 H22 DG 9 2.330 -1.612 8.023 1036 H5' DA 10 H5' DA 10 5.679 2.005 12.255 1037 H5'' DA 10 H5'' DA 10 6.439 2.154 13.853 1038 H4' DA 10 H4' DA 10 5.344 0.140 13.999 1039 H3' DA 10 H3' DA 10 7.995 -0.040 14.251 1040 H2' DA 10 H2' DA 10 8.670 -0.632 12.065 1041 H2'' DA 10 H2'' DA 10 8.278 -2.252 12.617 1042 H1' DA 10 H1' DA 10 6.291 -2.364 11.467 1043 H8 DA 10 H8 DA 10 8.390 0.694 10.348 1044 H61 DA 10 H61 DA 10 7.703 0.139 5.563 1045 H62 DA 10 H62 DA 10 6.733 -0.957 4.608 1046 H2 DA 10 H2 DA 10 4.595 -3.635 7.517 1047 H5' DT 11 H5' DT 11 5.099 -3.505 13.084 1048 H5'' DT 11 H5'' DT 11 5.126 -3.997 14.790 1049 H4' DT 11 H4' DT 11 4.155 -5.796 13.715 1050 H3' DT 11 H3' DT 11 6.407 -6.362 15.025 1051 H2' DT 11 H2' DT 11 8.016 -6.217 13.296 1052 H2'' DT 11 H2'' DT 11 7.546 -7.886 13.038 1053 H1' DT 11 H1' DT 11 6.239 -7.421 11.180 1054 H3 DT 11 H3 DT 11 7.881 -5.216 7.663 1055 H71 DT 11 H71 DT 11 10.308 -3.352 12.116 1056 H72 DT 11 H72 DT 11 11.132 -3.355 10.538 1057 H73 DT 11 H73 DT 11 9.872 -2.145 10.882 1058 H6 DT 11 H6 DT 11 8.458 -4.750 12.374 1059 H5' DA 12 H5' DA 12 4.759 -8.781 11.405 1060 H5'' DA 12 H5'' DA 12 4.063 -10.010 12.478 1061 H4' DA 12 H4' DA 12 4.100 -11.089 10.446 1062 H3' DA 12 H3' DA 12 5.624 -12.278 12.275 1063 H2' DA 12 H2' DA 12 7.726 -11.249 11.862 1064 H2'' DA 12 H2'' DA 12 7.870 -12.594 10.742 1065 H1' DA 12 H1' DA 12 7.399 -11.303 8.865 1066 H8 DA 12 H8 DA 12 8.351 -9.218 11.959 1067 H61 DA 12 H61 DA 12 11.352 -6.171 9.686 1068 H62 DA 12 H62 DA 12 11.766 -5.897 8.006 1069 H2 DA 12 H2 DA 12 9.299 -8.811 5.625 1070 H5' DT 13 H5' DT 13 6.465 -12.404 7.874 1071 H5'' DT 13 H5'' DT 13 5.451 -13.848 7.734 1072 H4' DT 13 H4' DT 13 6.409 -13.934 5.704 1073 H3' DT 13 H3' DT 13 7.426 -15.898 7.174 1074 H2' DT 13 H2' DT 13 9.314 -14.768 8.128 1075 H2'' DT 13 H2'' DT 13 10.069 -15.442 6.695 1076 H1' DT 13 H1' DT 13 10.005 -13.441 5.503 1077 H3 DT 13 H3 DT 13 12.385 -10.060 7.079 1078 H71 DT 13 H71 DT 13 10.435 -10.665 11.368 1079 H72 DT 13 H72 DT 13 11.600 -12.007 11.411 1080 H73 DT 13 H73 DT 13 9.859 -12.345 11.275 1081 H6 DT 13 H6 DT 13 9.365 -13.128 9.138 1082 H5' DT 14 H5' DT 14 9.719 -13.930 3.656 1083 H5'' DT 14 H5'' DT 14 9.024 -15.208 2.638 1084 H4' DT 14 H4' DT 14 10.599 -14.360 1.227 1085 H3' DT 14 H3' DT 14 11.209 -16.845 1.958 1086 H2' DT 14 H2' DT 14 12.626 -16.473 3.825 1087 H2'' DT 14 H2'' DT 14 13.853 -16.380 2.570 1088 H1' DT 14 H1' DT 14 13.990 -14.080 2.615 1089 H3 DT 14 H3 DT 14 15.114 -12.007 6.362 1090 H71 DT 14 H71 DT 14 13.017 -15.451 8.788 1091 H72 DT 14 H72 DT 14 11.537 -14.497 8.535 1092 H73 DT 14 H73 DT 14 11.763 -16.035 7.668 1093 H6 DT 14 H6 DT 14 12.014 -15.506 5.403 1094 H5' DT 15 H5' DT 15 14.348 -13.727 0.895 1095 H5'' DT 15 H5'' DT 15 14.140 -14.242 -0.787 1096 H4' DT 15 H4' DT 15 16.025 -13.031 -1.018 1097 H3' DT 15 H3' DT 15 16.598 -15.611 -1.319 1098 H2' DT 15 H2' DT 15 17.243 -16.212 0.882 1099 H2'' DT 15 H2'' DT 15 18.809 -15.667 0.307 1100 H1' DT 15 H1' DT 15 18.719 -13.641 1.409 1101 H3 DT 15 H3 DT 15 18.188 -13.535 5.832 1102 H71 DT 15 H71 DT 15 14.738 -16.747 5.543 1103 H72 DT 15 H72 DT 15 14.937 -17.391 3.896 1104 H73 DT 15 H73 DT 15 16.077 -17.861 5.178 1105 H6 DT 15 H6 DT 15 16.153 -16.107 2.366 1106 H5' DA 16 H5' DA 16 19.253 -12.345 0.227 1107 H5'' DA 16 H5'' DA 16 19.877 -12.039 -1.405 1108 H4' DA 16 H4' DA 16 21.314 -10.804 -0.136 1109 H3' DA 16 H3' DA 16 22.549 -12.806 -1.375 1110 HO3' DA 16 HO3' DA 16 23.460 -10.834 0.403 1111 H2' DA 16 H2' DA 16 22.498 -14.495 0.296 1112 H2'' DA 16 H2'' DA 16 24.001 -13.708 0.758 1113 H1' DA 16 H1' DA 16 23.051 -12.588 2.567 1114 H8 DA 16 H8 DA 16 20.747 -15.360 1.184 1115 H61 DA 16 H61 DA 16 19.555 -17.340 5.465 1116 H62 DA 16 H62 DA 16 19.885 -16.896 7.126 1117 H2 DA 16 H2 DA 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