NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
594469 | 2n5h | 25716 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 10.545 5.295 -4.958 2 H2 MET 1 2H MET 1 10.224 6.137 -6.385 3 H3 MET 1 3H MET 1 11.168 6.852 -5.180 4 HA MET 1 HA MET 1 11.896 4.439 -6.732 5 HB2 MET 1 1HB MET 1 12.982 7.283 -6.888 6 HB3 MET 1 2HB MET 1 13.668 5.904 -7.739 7 HG2 MET 1 1HG MET 1 11.568 5.650 -9.008 8 HG3 MET 1 2HG MET 1 10.898 7.044 -8.160 9 HE1 MET 1 3HE MET 1 14.590 6.482 -9.668 10 HE2 MET 1 1HE MET 1 14.360 7.265 -11.234 11 HE3 MET 1 2HE MET 1 13.476 5.792 -10.852 12 H ASP 2 H ASP 2 12.070 3.547 -4.595 13 HA ASP 2 HA ASP 2 14.532 3.804 -3.197 14 HB2 ASP 2 1HB ASP 2 13.518 4.678 -1.038 15 HB3 ASP 2 2HB ASP 2 13.647 5.871 -2.326 16 H GLY 3 H GLY 3 11.120 2.877 -3.086 17 HA2 GLY 3 1HA GLY 3 10.112 0.842 -2.707 18 HA3 GLY 3 2HA GLY 3 11.681 0.124 -2.346 19 H GLU 4 H GLU 4 12.707 1.208 -0.308 20 HA GLU 4 HA GLU 4 11.340 0.156 1.890 21 HB2 GLU 4 1HB GLU 4 13.250 1.096 3.224 22 HB3 GLU 4 2HB GLU 4 13.738 0.161 1.815 23 HG2 GLU 4 1HG GLU 4 14.117 2.278 0.557 24 HG3 GLU 4 2HG GLU 4 13.697 3.188 2.013 25 H GLU 5 H GLU 5 11.720 3.587 0.948 26 HA GLU 5 HA GLU 5 10.745 4.704 3.397 27 HB2 GLU 5 1HB GLU 5 12.208 5.988 1.840 28 HB3 GLU 5 2HB GLU 5 10.960 5.919 0.605 29 HG2 GLU 5 1HG GLU 5 10.894 8.103 1.560 30 HG3 GLU 5 2HG GLU 5 9.464 7.243 2.127 31 H VAL 6 H VAL 6 9.359 4.077 0.213 32 HA VAL 6 HA VAL 6 6.705 4.893 0.559 33 HB VAL 6 HB VAL 6 7.859 2.613 -1.130 34 HG11 VAL 6 1HG1 VAL 6 5.102 3.875 -1.366 35 HG12 VAL 6 2HG1 VAL 6 5.468 2.218 -0.877 36 HG13 VAL 6 3HG1 VAL 6 5.812 2.743 -2.524 37 HG21 VAL 6 3HG2 VAL 6 8.804 4.809 -1.708 38 HG22 VAL 6 1HG2 VAL 6 7.184 5.468 -1.933 39 HG23 VAL 6 2HG2 VAL 6 7.785 4.211 -3.017 40 H LYS 7 H LYS 7 8.202 1.702 1.125 41 HA LYS 7 HA LYS 7 5.875 0.292 1.819 42 HB2 LYS 7 1HB LYS 7 8.811 -0.226 2.402 43 HB3 LYS 7 2HB LYS 7 7.555 -1.343 2.933 44 HG2 LYS 7 1HG LYS 7 6.819 -1.588 0.572 45 HG3 LYS 7 2HG LYS 7 8.153 -0.554 0.071 46 HD2 LYS 7 1HD LYS 7 8.441 -3.234 1.479 47 HD3 LYS 7 2HD LYS 7 8.631 -2.965 -0.254 48 HE2 LYS 7 1HE LYS 7 10.552 -1.520 0.135 49 HE3 LYS 7 2HE LYS 7 10.336 -1.650 1.881 50 HZ1 LYS 7 3HZ LYS 7 11.061 -3.854 0.034 51 HZ2 LYS 7 1HZ LYS 7 10.769 -4.027 1.691 52 HZ3 LYS 7 2HZ LYS 7 12.066 -3.097 1.168 53 H GLU 8 H GLU 8 8.301 1.843 3.927 54 HA GLU 8 HA GLU 8 7.275 0.923 6.393 55 HB2 GLU 8 1HB GLU 8 9.596 1.661 6.093 56 HB3 GLU 8 2HB GLU 8 9.079 3.267 5.596 57 HG2 GLU 8 1HG GLU 8 9.973 3.316 7.835 58 HG3 GLU 8 2HG GLU 8 8.258 3.703 7.843 59 H LYS 9 H LYS 9 6.701 3.870 4.498 60 HA LYS 9 HA LYS 9 5.066 5.311 6.265 61 HB2 LYS 9 1HB LYS 9 5.351 5.184 3.262 62 HB3 LYS 9 2HB LYS 9 4.060 6.156 3.946 63 HG2 LYS 9 1HG LYS 9 5.591 7.603 5.066 64 HG3 LYS 9 2HG LYS 9 6.956 6.526 4.753 65 HD2 LYS 9 1HD LYS 9 6.987 7.058 2.430 66 HD3 LYS 9 2HD LYS 9 5.390 7.813 2.494 67 HE2 LYS 9 1HE LYS 9 7.517 9.332 2.389 68 HE3 LYS 9 2HE LYS 9 6.200 9.758 3.485 69 HZ1 LYS 9 3HZ LYS 9 8.424 9.948 4.483 70 HZ2 LYS 9 1HZ LYS 9 8.647 8.285 4.293 71 HZ3 LYS 9 2HZ LYS 9 7.433 8.862 5.317 72 H ILE 10 H ILE 10 4.166 3.046 3.675 73 HA ILE 10 HA ILE 10 1.356 3.257 3.976 74 HB ILE 10 HB ILE 10 3.007 1.051 2.691 75 HG12 ILE 10 1HG1 ILE 10 1.690 3.456 1.364 76 HG13 ILE 10 2HG1 ILE 10 3.389 3.395 1.816 77 HG21 ILE 10 1HG2 ILE 10 0.058 1.691 2.270 78 HG22 ILE 10 2HG2 ILE 10 0.697 0.267 3.092 79 HG23 ILE 10 3HG2 ILE 10 0.988 0.491 1.367 80 HD11 ILE 10 3HD1 ILE 10 3.129 2.954 -0.515 81 HD12 ILE 10 1HD1 ILE 10 2.009 1.635 -0.191 82 HD13 ILE 10 2HD1 ILE 10 3.704 1.495 0.291 83 H ARG 11 H ARG 11 3.711 0.860 5.081 84 HA ARG 11 HA ARG 11 1.923 -1.114 6.001 85 HB2 ARG 11 1HB ARG 11 3.835 -2.289 6.699 86 HB3 ARG 11 2HB ARG 11 4.498 -1.245 5.465 87 HG2 ARG 11 1HG ARG 11 6.125 -1.004 7.052 88 HG3 ARG 11 2HG ARG 11 5.062 0.314 7.534 89 HD2 ARG 11 1HD ARG 11 5.200 -0.619 9.605 90 HD3 ARG 11 2HD ARG 11 4.023 -1.781 9.012 91 HE ARG 11 HE ARG 11 5.658 -3.387 8.973 92 HH11 ARG 11 1HH1 ARG 11 7.158 -0.277 9.415 93 HH12 ARG 11 2HH1 ARG 11 8.701 -0.920 9.826 94 HH21 ARG 11 1HH2 ARG 11 7.676 -4.273 9.577 95 HH22 ARG 11 2HH2 ARG 11 9.010 -3.214 9.924 96 H ARG 12 H ARG 12 3.398 1.697 7.495 97 HA ARG 12 HA ARG 12 2.622 1.021 10.164 98 HB2 ARG 12 1HB ARG 12 4.515 2.802 9.021 99 HB3 ARG 12 2HB ARG 12 3.341 3.865 9.789 100 HG2 ARG 12 1HG ARG 12 5.234 3.347 11.272 101 HG3 ARG 12 2HG ARG 12 3.710 2.745 11.940 102 HD2 ARG 12 1HD ARG 12 4.296 0.492 10.948 103 HD3 ARG 12 2HD ARG 12 5.873 1.155 10.540 104 HE ARG 12 HE ARG 12 4.854 0.877 13.305 105 HH11 ARG 12 1HH1 ARG 12 7.541 0.743 11.055 106 HH12 ARG 12 2HH1 ARG 12 8.677 0.232 12.255 107 HH21 ARG 12 1HH2 ARG 12 6.363 0.138 14.856 108 HH22 ARG 12 2HH2 ARG 12 8.019 -0.111 14.397 109 H TYR 13 H TYR 13 1.338 3.025 7.553 110 HA TYR 13 HA TYR 13 -0.753 4.295 9.013 111 HB2 TYR 13 1HB TYR 13 0.000 5.022 6.741 112 HB3 TYR 13 2HB TYR 13 -0.696 3.552 6.054 113 HD1 TYR 13 HD1 TYR 13 -1.806 6.325 8.366 114 HD2 TYR 13 HD2 TYR 13 -2.799 3.874 5.001 115 HE1 TYR 13 HE1 TYR 13 -3.940 7.498 8.148 116 HE2 TYR 13 HE2 TYR 13 -4.940 5.055 4.780 117 HH TYR 13 HH TYR 13 -6.495 6.329 6.389 118 H ILE 14 H ILE 14 -0.492 1.156 7.409 119 HA ILE 14 HA ILE 14 -3.170 0.285 7.639 120 HB ILE 14 HB ILE 14 -0.604 -1.374 7.702 121 HG12 ILE 14 1HG1 ILE 14 -2.362 -0.807 5.277 122 HG13 ILE 14 2HG1 ILE 14 -0.954 0.164 5.674 123 HG21 ILE 14 1HG2 ILE 14 -1.979 -3.270 6.907 124 HG22 ILE 14 2HG2 ILE 14 -3.434 -2.282 7.048 125 HG23 ILE 14 3HG2 ILE 14 -2.512 -2.708 8.492 126 HD11 ILE 14 3HD1 ILE 14 0.465 -1.803 5.449 127 HD12 ILE 14 1HD1 ILE 14 -0.427 -1.437 3.973 128 HD13 ILE 14 2HD1 ILE 14 -0.948 -2.771 5.005 129 H MET 15 H MET 15 -0.499 0.385 9.893 130 HA MET 15 HA MET 15 -1.725 -1.168 11.977 131 HB2 MET 15 1HB MET 15 0.693 0.684 12.077 132 HB3 MET 15 2HB MET 15 0.252 -0.497 13.306 133 HG2 MET 15 1HG MET 15 0.653 -2.325 11.739 134 HG3 MET 15 2HG MET 15 0.988 -1.170 10.453 135 HE1 MET 15 3HE MET 15 3.674 -1.712 14.149 136 HE2 MET 15 1HE MET 15 2.060 -2.406 13.963 137 HE3 MET 15 2HE MET 15 2.254 -0.664 14.182 138 H GLU 16 H GLU 16 -1.354 2.268 11.241 139 HA GLU 16 HA GLU 16 -2.245 3.277 13.771 140 HB2 GLU 16 1HB GLU 16 -2.126 4.730 11.085 141 HB3 GLU 16 2HB GLU 16 -2.330 5.496 12.655 142 HG2 GLU 16 1HG GLU 16 0.125 4.088 11.604 143 HG3 GLU 16 2HG GLU 16 -0.068 5.809 11.935 144 H ASP 17 H ASP 17 -3.694 3.433 10.540 145 HA ASP 17 HA ASP 17 -6.227 4.375 11.618 146 HB2 ASP 17 1HB ASP 17 -5.258 5.602 9.740 147 HB3 ASP 17 2HB ASP 17 -5.170 4.131 8.775 148 H LEU 18 H LEU 18 -5.119 1.772 9.422 149 HA LEU 18 HA LEU 18 -7.746 1.029 8.673 150 HB2 LEU 18 1HB LEU 18 -5.142 -0.464 8.302 151 HB3 LEU 18 2HB LEU 18 -6.642 -0.824 7.458 152 HG LEU 18 HG LEU 18 -4.973 1.707 7.185 153 HD11 LEU 18 1HD1 LEU 18 -4.029 -0.217 6.035 154 HD12 LEU 18 2HD1 LEU 18 -4.608 0.991 4.900 155 HD13 LEU 18 3HD1 LEU 18 -5.546 -0.477 5.174 156 HD21 LEU 18 3HD2 LEU 18 -7.339 2.298 7.046 157 HD22 LEU 18 1HD2 LEU 18 -7.606 1.052 5.823 158 HD23 LEU 18 2HD2 LEU 18 -6.568 2.437 5.471 159 H ILE 19 H ILE 19 -5.347 -0.870 10.579 160 HA ILE 19 HA ILE 19 -7.392 -2.863 11.177 161 HB ILE 19 HB ILE 19 -4.474 -2.826 12.023 162 HG12 ILE 19 1HG1 ILE 19 -5.791 -4.203 9.634 163 HG13 ILE 19 2HG1 ILE 19 -4.658 -2.858 9.564 164 HG21 ILE 19 1HG2 ILE 19 -4.739 -5.234 12.467 165 HG22 ILE 19 2HG2 ILE 19 -6.447 -5.144 12.037 166 HG23 ILE 19 3HG2 ILE 19 -5.848 -4.290 13.460 167 HD11 ILE 19 3HD1 ILE 19 -3.554 -4.908 8.982 168 HD12 ILE 19 1HD1 ILE 19 -4.044 -5.657 10.502 169 HD13 ILE 19 2HD1 ILE 19 -2.909 -4.304 10.506 170 H GLY 20 H GLY 20 -5.026 -1.847 13.599 171 HA2 GLY 20 1HA GLY 20 -5.741 -0.374 15.479 172 HA3 GLY 20 2HA GLY 20 -7.262 -1.266 15.438 173 HA PRO 21 HA PRO 21 -5.541 -4.128 18.320 174 HB2 PRO 21 1HB PRO 21 -6.936 -6.474 17.760 175 HB3 PRO 21 2HB PRO 21 -7.633 -5.056 18.559 176 HG2 PRO 21 1HG PRO 21 -8.144 -6.075 15.870 177 HG3 PRO 21 2HG PRO 21 -9.058 -4.887 16.817 178 HD2 PRO 21 1HD PRO 21 -7.173 -4.391 14.661 179 HD3 PRO 21 2HD PRO 21 -8.166 -3.211 15.523 180 H SER 22 H SER 22 -5.663 -5.888 15.184 181 HA SER 22 HA SER 22 -3.349 -7.541 15.819 182 HB2 SER 22 1HB SER 22 -5.344 -8.438 14.580 183 HB3 SER 22 2HB SER 22 -5.010 -7.320 13.259 184 HG SER 22 HG SER 22 -2.774 -8.560 13.558 185 H ALA 23 H ALA 23 -2.344 -5.116 16.050 186 HA ALA 23 HA ALA 23 -0.677 -4.607 13.712 187 HB1 ALA 23 3HB ALA 23 -1.274 -2.209 13.636 188 HB2 ALA 23 1HB ALA 23 -2.553 -2.491 14.822 189 HB3 ALA 23 2HB ALA 23 -2.646 -3.246 13.226 190 H LYS 24 H LYS 24 0.024 -5.668 16.121 191 HA LYS 24 HA LYS 24 1.351 -3.878 17.875 192 HB2 LYS 24 1HB LYS 24 0.846 -6.364 18.257 193 HB3 LYS 24 2HB LYS 24 2.248 -6.702 17.246 194 HG2 LYS 24 1HG LYS 24 3.639 -5.337 18.826 195 HG3 LYS 24 2HG LYS 24 2.222 -5.166 19.863 196 HD2 LYS 24 1HD LYS 24 2.161 -7.602 20.182 197 HD3 LYS 24 2HD LYS 24 3.562 -7.785 19.119 198 HE2 LYS 24 1HE LYS 24 4.305 -7.861 21.443 199 HE3 LYS 24 2HE LYS 24 4.885 -6.370 20.692 200 HZ1 LYS 24 3HZ LYS 24 3.105 -5.164 21.745 201 HZ2 LYS 24 1HZ LYS 24 3.988 -6.007 22.913 202 HZ3 LYS 24 2HZ LYS 24 2.480 -6.584 22.414 203 H GLU 25 H GLU 25 3.862 -3.926 18.017 204 HA GLU 25 HA GLU 25 4.991 -2.241 16.261 205 HB2 GLU 25 1HB GLU 25 7.215 -3.030 17.183 206 HB3 GLU 25 2HB GLU 25 5.982 -2.687 18.394 207 HG2 GLU 25 1HG GLU 25 5.458 -5.206 18.356 208 HG3 GLU 25 2HG GLU 25 6.960 -5.394 17.456 209 H ASP 26 H ASP 26 5.047 -5.749 15.821 210 HA ASP 26 HA ASP 26 6.175 -5.436 13.112 211 HB2 ASP 26 1HB ASP 26 7.217 -7.299 15.283 212 HB3 ASP 26 2HB ASP 26 7.509 -7.631 13.577 213 H GLU 27 H GLU 27 3.449 -5.934 14.171 214 HA GLU 27 HA GLU 27 2.704 -8.571 13.378 215 HB2 GLU 27 1HB GLU 27 1.231 -6.029 14.016 216 HB3 GLU 27 2HB GLU 27 0.377 -7.147 12.963 217 HG2 GLU 27 1HG GLU 27 1.501 -7.915 15.671 218 HG3 GLU 27 2HG GLU 27 -0.158 -7.382 15.405 219 H LEU 28 H LEU 28 2.479 -5.402 11.735 220 HA LEU 28 HA LEU 28 2.126 -6.660 9.140 221 HB2 LEU 28 1HB LEU 28 2.288 -3.759 10.053 222 HB3 LEU 28 2HB LEU 28 2.315 -4.175 8.355 223 HG LEU 28 HG LEU 28 0.056 -3.510 9.030 224 HD11 LEU 28 1HD1 LEU 28 -1.218 -5.414 8.186 225 HD12 LEU 28 2HD1 LEU 28 0.172 -6.478 8.416 226 HD13 LEU 28 3HD1 LEU 28 0.248 -5.158 7.245 227 HD21 LEU 28 3HD2 LEU 28 0.137 -4.102 11.399 228 HD22 LEU 28 1HD2 LEU 28 0.120 -5.821 10.992 229 HD23 LEU 28 2HD2 LEU 28 -1.280 -4.805 10.628 230 H ASP 29 H ASP 29 3.812 -7.582 8.373 231 HA ASP 29 HA ASP 29 6.548 -6.550 8.660 232 HB2 ASP 29 1HB ASP 29 6.071 -8.935 9.265 233 HB3 ASP 29 2HB ASP 29 5.513 -9.244 7.630 234 H ASP 30 H ASP 30 7.885 -6.913 6.718 235 HA ASP 30 HA ASP 30 7.153 -5.259 4.589 236 HB2 ASP 30 1HB ASP 30 9.451 -5.449 5.293 237 HB3 ASP 30 2HB ASP 30 9.437 -7.194 5.086 238 H GLN 31 H GLN 31 6.875 -8.725 5.013 239 HA GLN 31 HA GLN 31 6.062 -9.089 2.183 240 HB2 GLN 31 1HB GLN 31 7.555 -11.004 4.023 241 HB3 GLN 31 2HB GLN 31 6.869 -11.491 2.471 242 HG2 GLN 31 1HG GLN 31 8.308 -9.905 1.294 243 HG3 GLN 31 2HG GLN 31 8.967 -9.325 2.826 244 HE21 GLN 31 1HE2 GLN 31 10.455 -10.598 3.928 245 HE22 GLN 31 2HE2 GLN 31 11.240 -11.956 3.199 246 H THR 32 H THR 32 4.667 -8.662 5.021 247 HA THR 32 HA THR 32 3.153 -10.878 5.669 248 HB THR 32 HB THR 32 2.690 -7.928 6.071 249 HG1 THR 32 HG1 THR 32 3.201 -10.182 7.720 250 HG21 THR 32 3HG2 THR 32 0.721 -10.081 6.965 251 HG22 THR 32 1HG2 THR 32 0.387 -8.801 5.802 252 HG23 THR 32 2HG2 THR 32 0.704 -8.395 7.488 253 HA PRO 33 HA PRO 33 0.390 -11.260 2.106 254 HB2 PRO 33 1HB PRO 33 -1.163 -13.290 3.093 255 HB3 PRO 33 2HB PRO 33 0.485 -13.561 2.497 256 HG2 PRO 33 1HG PRO 33 -0.480 -13.290 5.323 257 HG3 PRO 33 2HG PRO 33 0.702 -14.436 4.645 258 HD2 PRO 33 1HD PRO 33 1.439 -12.168 5.987 259 HD3 PRO 33 2HD PRO 33 2.434 -12.887 4.702 260 H LEU 34 H LEU 34 -0.523 -9.213 2.346 261 HA LEU 34 HA LEU 34 -2.191 -8.281 4.401 262 HB2 LEU 34 1HB LEU 34 -2.033 -7.312 1.521 263 HB3 LEU 34 2HB LEU 34 -2.623 -6.378 2.887 264 HG LEU 34 HG LEU 34 0.258 -7.314 2.517 265 HD11 LEU 34 1HD1 LEU 34 0.836 -4.984 2.070 266 HD12 LEU 34 2HD1 LEU 34 -0.869 -4.524 2.145 267 HD13 LEU 34 3HD1 LEU 34 -0.296 -5.605 0.871 268 HD21 LEU 34 3HD2 LEU 34 -0.296 -7.137 4.883 269 HD22 LEU 34 1HD2 LEU 34 -0.900 -5.493 4.651 270 HD23 LEU 34 2HD2 LEU 34 0.812 -5.853 4.413 271 H LEU 35 H LEU 35 -2.931 -9.854 1.315 272 HA LEU 35 HA LEU 35 -5.784 -9.482 1.463 273 HB2 LEU 35 1HB LEU 35 -4.159 -11.363 -0.270 274 HB3 LEU 35 2HB LEU 35 -5.872 -11.027 -0.477 275 HG LEU 35 HG LEU 35 -3.599 -9.041 -0.846 276 HD11 LEU 35 1HD1 LEU 35 -3.735 -10.683 -2.636 277 HD12 LEU 35 2HD1 LEU 35 -4.190 -9.078 -3.193 278 HD13 LEU 35 3HD1 LEU 35 -5.440 -10.288 -2.896 279 HD21 LEU 35 3HD2 LEU 35 -5.285 -7.437 -1.632 280 HD22 LEU 35 1HD2 LEU 35 -5.564 -7.874 0.052 281 HD23 LEU 35 2HD2 LEU 35 -6.580 -8.562 -1.217 282 H GLU 36 H GLU 36 -3.555 -12.028 2.486 283 HA GLU 36 HA GLU 36 -5.604 -14.010 2.933 284 HB2 GLU 36 1HB GLU 36 -2.772 -13.970 4.050 285 HB3 GLU 36 2HB GLU 36 -3.855 -15.358 3.991 286 HG2 GLU 36 1HG GLU 36 -2.502 -13.966 1.668 287 HG3 GLU 36 2HG GLU 36 -2.265 -15.623 2.224 288 H TRP 37 H TRP 37 -4.021 -11.503 4.813 289 HA TRP 37 HA TRP 37 -5.335 -12.042 7.305 290 HB2 TRP 37 1HB TRP 37 -3.981 -9.572 6.142 291 HB3 TRP 37 2HB TRP 37 -4.769 -9.533 7.715 292 HD1 TRP 37 HD1 TRP 37 -2.617 -12.536 6.581 293 HE1 TRP 37 HE1 TRP 37 -0.586 -12.700 8.127 294 HE3 TRP 37 HE3 TRP 37 -3.264 -8.199 9.226 295 HZ2 TRP 37 HZ2 TRP 37 0.595 -11.212 10.211 296 HZ3 TRP 37 HZ3 TRP 37 -1.625 -7.641 10.985 297 HH2 TRP 37 HH2 TRP 37 0.264 -9.121 11.463 298 H GLY 38 H GLY 38 -6.237 -10.510 4.307 299 HA2 GLY 38 1HA GLY 38 -8.296 -9.966 3.470 300 HA3 GLY 38 2HA GLY 38 -9.033 -10.524 4.964 301 H ILE 39 H ILE 39 -6.526 -8.235 5.258 302 HA ILE 39 HA ILE 39 -8.257 -6.301 6.486 303 HB ILE 39 HB ILE 39 -6.173 -4.977 6.848 304 HG12 ILE 39 1HG1 ILE 39 -4.782 -7.210 5.285 305 HG13 ILE 39 2HG1 ILE 39 -4.949 -5.543 4.765 306 HG21 ILE 39 1HG2 ILE 39 -5.061 -6.575 8.378 307 HG22 ILE 39 2HG2 ILE 39 -5.911 -7.913 7.605 308 HG23 ILE 39 3HG2 ILE 39 -6.818 -6.683 8.488 309 HD11 ILE 39 3HD1 ILE 39 -3.322 -6.528 7.100 310 HD12 ILE 39 1HD1 ILE 39 -3.518 -4.836 6.633 311 HD13 ILE 39 2HD1 ILE 39 -2.721 -5.966 5.542 312 H LEU 40 H LEU 40 -7.043 -6.831 3.269 313 HA LEU 40 HA LEU 40 -7.692 -4.053 2.463 314 HB2 LEU 40 1HB LEU 40 -6.065 -6.101 0.919 315 HB3 LEU 40 2HB LEU 40 -6.371 -4.439 0.444 316 HG LEU 40 HG LEU 40 -4.563 -5.448 2.658 317 HD11 LEU 40 1HD1 LEU 40 -4.012 -3.683 0.256 318 HD12 LEU 40 2HD1 LEU 40 -3.586 -5.389 0.437 319 HD13 LEU 40 3HD1 LEU 40 -2.840 -4.184 1.480 320 HD21 LEU 40 3HD2 LEU 40 -4.133 -3.117 3.332 321 HD22 LEU 40 1HD2 LEU 40 -5.796 -3.601 3.652 322 HD23 LEU 40 2HD2 LEU 40 -5.433 -2.563 2.272 323 H ASN 41 H ASN 41 -9.661 -3.933 1.853 324 HA ASN 41 HA ASN 41 -10.687 -5.378 -0.459 325 HB2 ASN 41 1HB ASN 41 -11.448 -6.609 1.688 326 HB3 ASN 41 2HB ASN 41 -12.365 -5.176 2.111 327 HD21 ASN 41 1HD2 ASN 41 -13.232 -7.943 1.611 328 HD22 ASN 41 2HD2 ASN 41 -14.413 -7.853 0.350 329 H SER 42 H SER 42 -12.778 -4.095 -1.180 330 HA SER 42 HA SER 42 -12.110 -1.607 -1.927 331 HB2 SER 42 2HB SER 42 -13.959 -3.003 -2.847 332 HB3 SER 42 1HB SER 42 -14.967 -2.549 -1.481 333 H MET 43 H MET 43 -13.807 -2.308 1.113 334 HA MET 43 HA MET 43 -14.494 0.337 1.868 335 HB2 MET 43 1HB MET 43 -14.008 -2.179 3.492 336 HB3 MET 43 2HB MET 43 -14.418 -0.659 4.273 337 HG2 MET 43 1HG MET 43 -16.359 -2.146 4.011 338 HG3 MET 43 2HG MET 43 -16.579 -0.616 3.165 339 HE1 MET 43 3HE MET 43 -17.177 -1.607 -0.430 340 HE2 MET 43 1HE MET 43 -16.156 -0.438 0.405 341 HE3 MET 43 2HE MET 43 -17.823 -0.690 0.930 342 H ASN 44 H ASN 44 -11.581 -1.568 2.533 343 HA ASN 44 HA ASN 44 -10.361 0.499 4.184 344 HB2 ASN 44 1HB ASN 44 -10.118 -1.721 5.018 345 HB3 ASN 44 2HB ASN 44 -9.631 -2.355 3.459 346 HD21 ASN 44 1HD2 ASN 44 -8.456 -2.149 6.324 347 HD22 ASN 44 2HD2 ASN 44 -6.805 -1.755 6.033 348 H ILE 45 H ILE 45 -9.853 -0.983 1.016 349 HA ILE 45 HA ILE 45 -7.126 -0.411 0.725 350 HB ILE 45 HB ILE 45 -8.429 -2.191 -0.492 351 HG12 ILE 45 1HG1 ILE 45 -6.822 -0.393 -2.351 352 HG13 ILE 45 2HG1 ILE 45 -6.112 -1.515 -1.194 353 HG21 ILE 45 1HG2 ILE 45 -9.635 -1.636 -2.575 354 HG22 ILE 45 2HG2 ILE 45 -9.361 0.084 -2.290 355 HG23 ILE 45 3HG2 ILE 45 -10.378 -0.841 -1.185 356 HD11 ILE 45 3HD1 ILE 45 -6.114 -2.411 -3.448 357 HD12 ILE 45 1HD1 ILE 45 -7.869 -2.280 -3.523 358 HD13 ILE 45 2HD1 ILE 45 -7.112 -3.391 -2.376 359 H VAL 46 H VAL 46 -9.921 1.511 0.128 360 HA VAL 46 HA VAL 46 -8.857 3.367 -1.742 361 HB VAL 46 HB VAL 46 -10.880 4.707 -1.260 362 HG11 VAL 46 1HG1 VAL 46 -12.546 3.054 -2.027 363 HG12 VAL 46 2HG1 VAL 46 -11.447 1.742 -1.597 364 HG13 VAL 46 3HG1 VAL 46 -11.011 2.872 -2.881 365 HG21 VAL 46 3HG2 VAL 46 -11.095 4.354 1.177 366 HG22 VAL 46 1HG2 VAL 46 -11.499 2.656 0.916 367 HG23 VAL 46 2HG2 VAL 46 -12.599 3.921 0.363 368 H LYS 47 H LYS 47 -8.885 3.217 1.802 369 HA LYS 47 HA LYS 47 -7.970 5.895 2.242 370 HB2 LYS 47 1HB LYS 47 -7.914 3.477 4.083 371 HB3 LYS 47 2HB LYS 47 -7.321 5.066 4.558 372 HG2 LYS 47 1HG LYS 47 -9.447 5.310 5.365 373 HG3 LYS 47 2HG LYS 47 -9.771 5.802 3.707 374 HD2 LYS 47 1HD LYS 47 -11.494 4.281 4.207 375 HD3 LYS 47 2HD LYS 47 -10.355 3.318 3.263 376 HE2 LYS 47 1HE LYS 47 -11.233 2.133 5.271 377 HE3 LYS 47 2HE LYS 47 -9.478 2.298 5.275 378 HZ1 LYS 47 3HZ LYS 47 -11.319 4.114 6.729 379 HZ2 LYS 47 1HZ LYS 47 -9.630 4.065 6.835 380 HZ3 LYS 47 2HZ LYS 47 -10.561 2.778 7.419 381 H LEU 48 H LEU 48 -6.373 2.829 1.566 382 HA LEU 48 HA LEU 48 -3.699 3.865 1.857 383 HB2 LEU 48 1HB LEU 48 -4.798 1.440 0.402 384 HB3 LEU 48 2HB LEU 48 -3.090 1.854 0.370 385 HG LEU 48 HG LEU 48 -4.705 1.130 2.838 386 HD11 LEU 48 1HD1 LEU 48 -3.354 -0.882 2.929 387 HD12 LEU 48 2HD1 LEU 48 -2.489 -0.412 1.461 388 HD13 LEU 48 3HD1 LEU 48 -4.212 -0.796 1.390 389 HD21 LEU 48 3HD2 LEU 48 -2.571 1.247 4.072 390 HD22 LEU 48 1HD2 LEU 48 -3.022 2.817 3.411 391 HD23 LEU 48 2HD2 LEU 48 -1.760 1.861 2.629 392 H MET 49 H MET 49 -5.954 3.429 -0.863 393 HA MET 49 HA MET 49 -4.341 4.115 -2.992 394 HB2 MET 49 1HB MET 49 -6.606 3.142 -3.173 395 HB3 MET 49 2HB MET 49 -7.310 4.645 -2.589 396 HG2 MET 49 1HG MET 49 -6.300 5.773 -4.608 397 HG3 MET 49 2HG MET 49 -5.905 4.165 -5.209 398 HE1 MET 49 3HE MET 49 -7.770 2.294 -5.620 399 HE2 MET 49 1HE MET 49 -9.505 2.586 -5.501 400 HE3 MET 49 2HE MET 49 -8.518 2.551 -4.039 401 H VAL 50 H VAL 50 -6.147 6.223 -0.775 402 HA VAL 50 HA VAL 50 -5.417 8.676 -2.146 403 HB VAL 50 HB VAL 50 -6.572 9.876 -0.357 404 HG11 VAL 50 1HG1 VAL 50 -8.179 7.461 -1.284 405 HG12 VAL 50 2HG1 VAL 50 -7.948 8.964 -2.176 406 HG13 VAL 50 3HG1 VAL 50 -8.860 8.970 -0.667 407 HG21 VAL 50 3HG2 VAL 50 -7.643 8.715 1.567 408 HG22 VAL 50 1HG2 VAL 50 -5.886 8.527 1.593 409 HG23 VAL 50 2HG2 VAL 50 -6.905 7.195 1.054 410 H TYR 51 H TYR 51 -4.214 6.762 0.566 411 HA TYR 51 HA TYR 51 -2.551 8.705 1.788 412 HB2 TYR 51 1HB TYR 51 -3.212 6.598 2.910 413 HB3 TYR 51 2HB TYR 51 -2.273 5.671 1.749 414 HD1 TYR 51 HD1 TYR 51 -2.007 8.162 4.520 415 HD2 TYR 51 HD2 TYR 51 0.122 5.357 2.082 416 HE1 TYR 51 HE1 TYR 51 -0.043 8.383 5.979 417 HE2 TYR 51 HE2 TYR 51 2.077 5.581 3.543 418 HH TYR 51 HH TYR 51 1.961 6.942 6.581 419 H ILE 52 H ILE 52 -1.762 6.084 -0.536 420 HA ILE 52 HA ILE 52 0.891 6.853 -1.109 421 HB ILE 52 HB ILE 52 -1.094 5.187 -2.718 422 HG12 ILE 52 1HG1 ILE 52 0.530 3.295 -2.150 423 HG13 ILE 52 2HG1 ILE 52 1.378 4.415 -1.101 424 HG21 ILE 52 1HG2 ILE 52 1.813 5.688 -3.462 425 HG22 ILE 52 2HG2 ILE 52 0.391 6.212 -4.370 426 HG23 ILE 52 3HG2 ILE 52 0.756 4.493 -4.223 427 HD11 ILE 52 3HD1 ILE 52 -1.463 3.466 -0.760 428 HD12 ILE 52 1HD1 ILE 52 -0.603 4.568 0.320 429 HD13 ILE 52 2HD1 ILE 52 -0.050 2.903 0.136 430 H ARG 53 H ARG 53 -2.207 7.888 -2.389 431 HA ARG 53 HA ARG 53 -1.387 9.212 -4.718 432 HB2 ARG 53 1HB ARG 53 -3.746 8.627 -4.110 433 HB3 ARG 53 2HB ARG 53 -3.731 9.934 -2.934 434 HG2 ARG 53 1HG ARG 53 -3.368 11.560 -4.790 435 HG3 ARG 53 2HG ARG 53 -3.444 10.224 -5.941 436 HD2 ARG 53 1HD ARG 53 -5.676 11.176 -4.120 437 HD3 ARG 53 2HD ARG 53 -5.590 11.345 -5.877 438 HE ARG 53 HE ARG 53 -5.482 8.605 -4.944 439 HH11 ARG 53 1HH1 ARG 53 -7.655 11.178 -5.911 440 HH12 ARG 53 2HH1 ARG 53 -8.953 10.095 -6.290 441 HH21 ARG 53 1HH2 ARG 53 -7.221 7.206 -5.438 442 HH22 ARG 53 2HH2 ARG 53 -8.709 7.864 -6.026 443 H ASP 54 H ASP 54 -1.852 10.470 -1.409 444 HA ASP 54 HA ASP 54 -0.956 13.139 -2.127 445 HB2 ASP 54 1HB ASP 54 -1.778 11.869 0.522 446 HB3 ASP 54 2HB ASP 54 -1.208 13.529 0.405 447 H GLU 55 H GLU 55 0.227 10.616 0.115 448 HA GLU 55 HA GLU 55 2.519 12.050 0.954 449 HB2 GLU 55 1HB GLU 55 2.011 9.060 1.206 450 HB3 GLU 55 2HB GLU 55 3.136 10.009 2.171 451 HG2 GLU 55 1HG GLU 55 0.108 10.218 2.202 452 HG3 GLU 55 2HG GLU 55 1.126 9.507 3.450 453 H MET 56 H MET 56 2.238 9.186 -1.192 454 HA MET 56 HA MET 56 5.033 9.358 -1.983 455 HB2 MET 56 1HB MET 56 2.828 7.385 -2.414 456 HB3 MET 56 2HB MET 56 4.017 7.470 -3.704 457 HG2 MET 56 1HG MET 56 4.483 5.715 -1.997 458 HG3 MET 56 2HG MET 56 5.788 6.871 -2.220 459 HE1 MET 56 3HE MET 56 2.426 7.200 -0.092 460 HE2 MET 56 1HE MET 56 3.035 6.726 1.493 461 HE3 MET 56 2HE MET 56 2.982 5.545 0.178 462 H GLY 57 H GLY 57 2.042 10.663 -3.061 463 HA2 GLY 57 1HA GLY 57 1.621 12.237 -4.690 464 HA3 GLY 57 2HA GLY 57 3.309 12.180 -5.173 465 H VAL 58 H VAL 58 1.120 9.409 -5.031 466 HA VAL 58 HA VAL 58 1.588 8.951 -7.933 467 HB VAL 58 HB VAL 58 1.639 6.929 -5.660 468 HG11 VAL 58 1HG1 VAL 58 2.191 5.214 -7.363 469 HG12 VAL 58 2HG1 VAL 58 1.932 6.407 -8.637 470 HG13 VAL 58 3HG1 VAL 58 0.584 5.901 -7.618 471 HG21 VAL 58 3HG2 VAL 58 3.875 7.857 -7.495 472 HG22 VAL 58 1HG2 VAL 58 4.012 6.580 -6.286 473 HG23 VAL 58 2HG2 VAL 58 3.707 8.243 -5.782 474 H SER 59 H SER 59 -0.293 9.088 -8.960 475 HA SER 59 HA SER 59 -2.865 8.596 -7.741 476 HB2 SER 59 1HB SER 59 -2.221 9.015 -10.690 477 HB3 SER 59 2HB SER 59 -3.782 9.242 -9.903 478 HG SER 59 HG SER 59 -2.438 10.818 -8.562 479 H ILE 60 H ILE 60 -3.328 6.455 -7.285 480 HA ILE 60 HA ILE 60 -2.562 4.309 -9.116 481 HB ILE 60 HB ILE 60 -4.140 4.098 -6.513 482 HG12 ILE 60 1HG1 ILE 60 -1.145 3.651 -6.944 483 HG13 ILE 60 2HG1 ILE 60 -1.851 5.019 -6.089 484 HG21 ILE 60 1HG2 ILE 60 -3.578 1.696 -6.607 485 HG22 ILE 60 2HG2 ILE 60 -2.727 1.936 -8.133 486 HG23 ILE 60 3HG2 ILE 60 -4.474 2.180 -8.049 487 HD11 ILE 60 3HD1 ILE 60 -0.981 3.371 -4.535 488 HD12 ILE 60 1HD1 ILE 60 -2.013 2.121 -5.231 489 HD13 ILE 60 2HD1 ILE 60 -2.734 3.491 -4.377 490 HA PRO 61 HA PRO 61 -6.695 4.937 -11.028 491 HB2 PRO 61 1HB PRO 61 -6.364 3.071 -13.057 492 HB3 PRO 61 2HB PRO 61 -5.743 4.730 -13.137 493 HG2 PRO 61 1HG PRO 61 -4.268 2.215 -12.454 494 HG3 PRO 61 2HG PRO 61 -3.749 3.588 -13.460 495 HD2 PRO 61 1HD PRO 61 -2.920 3.286 -10.883 496 HD3 PRO 61 2HD PRO 61 -3.147 4.887 -11.622 497 H SER 62 H SER 62 -8.605 3.725 -10.928 498 HA SER 62 HA SER 62 -8.839 1.747 -8.924 499 HB2 SER 62 1HB SER 62 -11.215 1.551 -9.838 500 HB3 SER 62 2HB SER 62 -10.709 3.204 -9.474 501 HG SER 62 HG SER 62 -11.727 2.513 -11.674 502 H THR 63 H THR 63 -8.516 1.501 -12.433 503 HA THR 63 HA THR 63 -9.093 -1.259 -12.728 504 HB THR 63 HB THR 63 -9.099 0.341 -14.639 505 HG1 THR 63 HG1 THR 63 -8.580 -2.075 -14.768 506 HG21 THR 63 3HG2 THR 63 -6.059 0.252 -14.448 507 HG22 THR 63 1HG2 THR 63 -7.060 1.655 -14.056 508 HG23 THR 63 2HG2 THR 63 -7.002 1.045 -15.711 509 H HIS 64 H HIS 64 -6.338 0.361 -11.437 510 HA HIS 64 HA HIS 64 -4.376 -1.708 -11.891 511 HB2 HIS 64 1HB HIS 64 -3.648 0.629 -11.565 512 HB3 HIS 64 2HB HIS 64 -4.381 0.666 -9.968 513 HD1 HIS 64 HD1 HIS 64 -3.199 -0.708 -8.109 514 HD2 HIS 64 HD2 HIS 64 -1.167 -0.599 -11.711 515 HE1 HIS 64 HE1 HIS 64 -0.966 -1.702 -7.641 516 HE2 HIS 64 HE2 HIS 64 0.137 -1.839 -9.908 517 H ILE 65 H ILE 65 -6.930 -1.187 -9.610 518 HA ILE 65 HA ILE 65 -5.783 -2.523 -7.348 519 HB ILE 65 HB ILE 65 -8.640 -1.666 -7.942 520 HG12 ILE 65 1HG1 ILE 65 -8.326 -0.029 -6.118 521 HG13 ILE 65 2HG1 ILE 65 -6.774 -0.714 -5.717 522 HG21 ILE 65 1HG2 ILE 65 -9.256 -2.348 -5.619 523 HG22 ILE 65 2HG2 ILE 65 -7.675 -3.117 -5.449 524 HG23 ILE 65 3HG2 ILE 65 -8.825 -3.720 -6.641 525 HD11 ILE 65 3HD1 ILE 65 -5.829 0.135 -7.763 526 HD12 ILE 65 1HD1 ILE 65 -6.582 1.424 -6.824 527 HD13 ILE 65 2HD1 ILE 65 -7.406 0.764 -8.235 528 H THR 66 H THR 66 -5.059 -4.457 -7.870 529 HA THR 66 HA THR 66 -6.966 -6.636 -8.046 530 HB THR 66 HB THR 66 -6.439 -6.400 -10.394 531 HG1 THR 66 HG1 THR 66 -6.498 -8.529 -9.710 532 HG21 THR 66 3HG2 THR 66 -4.139 -6.521 -11.293 533 HG22 THR 66 1HG2 THR 66 -3.499 -6.513 -9.651 534 HG23 THR 66 2HG2 THR 66 -4.356 -5.096 -10.269 535 H GLY 67 H GLY 67 -5.886 -8.709 -7.595 536 HA2 GLY 67 1HA GLY 67 -5.029 -8.558 -4.983 537 HA3 GLY 67 2HA GLY 67 -4.981 -10.000 -5.985 538 H LYS 68 H LYS 68 -3.081 -9.244 -7.863 539 HA LYS 68 HA LYS 68 -0.775 -10.309 -6.716 540 HB2 LYS 68 1HB LYS 68 -0.981 -8.595 -9.239 541 HB3 LYS 68 2HB LYS 68 0.322 -9.722 -8.872 542 HG2 LYS 68 1HG LYS 68 -1.103 -11.626 -9.138 543 HG3 LYS 68 2HG LYS 68 -2.561 -10.636 -9.113 544 HD2 LYS 68 1HD LYS 68 -0.469 -10.656 -11.326 545 HD3 LYS 68 2HD LYS 68 -2.055 -11.428 -11.388 546 HE2 LYS 68 1HE LYS 68 -3.114 -9.175 -11.113 547 HE3 LYS 68 2HE LYS 68 -1.508 -8.447 -11.195 548 HZ1 LYS 68 3HZ LYS 68 -2.890 -9.979 -13.318 549 HZ2 LYS 68 1HZ LYS 68 -1.275 -9.479 -13.405 550 HZ3 LYS 68 2HZ LYS 68 -2.509 -8.332 -13.313 551 H TYR 69 H TYR 69 -1.627 -6.904 -7.122 552 HA TYR 69 HA TYR 69 1.046 -5.953 -6.374 553 HB2 TYR 69 1HB TYR 69 -1.419 -4.320 -7.101 554 HB3 TYR 69 2HB TYR 69 0.229 -3.716 -6.954 555 HD1 TYR 69 HD1 TYR 69 1.953 -5.315 -8.479 556 HD2 TYR 69 HD2 TYR 69 -2.147 -4.446 -9.333 557 HE1 TYR 69 HE1 TYR 69 2.346 -5.786 -10.860 558 HE2 TYR 69 HE2 TYR 69 -1.756 -4.923 -11.696 559 HH TYR 69 HH TYR 69 0.067 -4.981 -13.278 560 H PHE 70 H PHE 70 -2.142 -6.341 -4.997 561 HA PHE 70 HA PHE 70 -1.400 -4.816 -2.571 562 HB2 PHE 70 1HB PHE 70 -4.096 -5.715 -3.666 563 HB3 PHE 70 2HB PHE 70 -3.900 -5.031 -2.054 564 HD1 PHE 70 HD2 PHE 70 -3.207 -2.669 -1.758 565 HD2 PHE 70 HD1 PHE 70 -3.950 -4.269 -5.660 566 HE1 PHE 70 HE2 PHE 70 -3.289 -0.396 -2.677 567 HE2 PHE 70 HE1 PHE 70 -4.024 -1.983 -6.574 568 HZ PHE 70 HZ PHE 70 -3.696 -0.046 -5.079 569 H LYS 71 H LYS 71 -0.650 -7.599 -3.503 570 HA LYS 71 HA LYS 71 -1.761 -9.500 -1.706 571 HB2 LYS 71 1HB LYS 71 -1.044 -10.245 -3.839 572 HB3 LYS 71 2HB LYS 71 0.508 -9.441 -3.713 573 HG2 LYS 71 1HG LYS 71 0.092 -11.551 -1.674 574 HG3 LYS 71 2HG LYS 71 0.052 -12.132 -3.333 575 HD2 LYS 71 1HD LYS 71 2.317 -10.538 -2.091 576 HD3 LYS 71 2HD LYS 71 2.317 -12.277 -2.373 577 HE2 LYS 71 1HE LYS 71 2.220 -11.926 -4.786 578 HE3 LYS 71 2HE LYS 71 2.090 -10.181 -4.552 579 HZ1 LYS 71 3HZ LYS 71 4.308 -10.891 -5.135 580 HZ2 LYS 71 1HZ LYS 71 4.399 -11.845 -3.745 581 HZ3 LYS 71 2HZ LYS 71 4.273 -10.162 -3.612 582 H ASP 72 H ASP 72 1.425 -7.896 -1.931 583 HA ASP 72 HA ASP 72 1.666 -7.929 0.985 584 HB2 ASP 72 1HB ASP 72 3.724 -9.046 1.137 585 HB3 ASP 72 2HB ASP 72 2.896 -9.992 -0.089 586 H LEU 73 H LEU 73 3.750 -6.670 1.569 587 HA LEU 73 HA LEU 73 3.151 -4.004 0.767 588 HB2 LEU 73 1HB LEU 73 3.749 -4.727 3.071 589 HB3 LEU 73 2HB LEU 73 5.365 -5.115 2.517 590 HG LEU 73 HG LEU 73 5.680 -2.677 1.938 591 HD11 LEU 73 1HD1 LEU 73 4.189 -1.010 2.945 592 HD12 LEU 73 2HD1 LEU 73 3.079 -2.289 3.441 593 HD13 LEU 73 3HD1 LEU 73 3.366 -1.982 1.726 594 HD21 LEU 73 3HD2 LEU 73 6.670 -3.624 3.942 595 HD22 LEU 73 1HD2 LEU 73 5.179 -3.349 4.853 596 HD23 LEU 73 2HD2 LEU 73 6.117 -1.981 4.252 597 H ASN 74 H ASN 74 5.807 -6.233 -0.071 598 HA ASN 74 HA ASN 74 7.450 -4.294 -1.397 599 HB2 ASN 74 1HB ASN 74 7.277 -7.309 -1.809 600 HB3 ASN 74 2HB ASN 74 8.478 -6.286 -2.576 601 HD21 ASN 74 1HD2 ASN 74 7.531 -7.891 0.290 602 HD22 ASN 74 2HD2 ASN 74 8.890 -7.474 1.250 603 H ALA 75 H ALA 75 4.836 -6.437 -2.458 604 HA ALA 75 HA ALA 75 4.964 -5.808 -5.242 605 HB1 ALA 75 3HB ALA 75 2.654 -6.897 -3.610 606 HB2 ALA 75 1HB ALA 75 3.915 -7.858 -4.388 607 HB3 ALA 75 2HB ALA 75 2.783 -6.922 -5.371 608 H ILE 76 H ILE 76 3.309 -4.390 -2.472 609 HA ILE 76 HA ILE 76 1.644 -2.507 -3.721 610 HB ILE 76 HB ILE 76 3.185 -2.259 -1.091 611 HG12 ILE 76 1HG1 ILE 76 1.466 -4.162 -1.284 612 HG13 ILE 76 2HG1 ILE 76 1.255 -3.061 0.071 613 HG21 ILE 76 1HG2 ILE 76 1.555 -0.486 -0.461 614 HG22 ILE 76 2HG2 ILE 76 0.905 -0.524 -2.105 615 HG23 ILE 76 3HG2 ILE 76 2.575 -0.029 -1.827 616 HD11 ILE 76 3HD1 ILE 76 -0.551 -1.940 -1.108 617 HD12 ILE 76 1HD1 ILE 76 -0.844 -3.670 -0.963 618 HD13 ILE 76 2HD1 ILE 76 -0.307 -2.999 -2.501 619 H SER 77 H SER 77 5.024 -2.229 -2.612 620 HA SER 77 HA SER 77 5.226 0.548 -3.260 621 HB2 SER 77 1HB SER 77 7.669 0.215 -2.652 622 HB3 SER 77 2HB SER 77 6.522 -0.278 -1.405 623 HG SER 77 HG SER 77 6.973 -2.350 -1.762 624 H ARG 78 H ARG 78 6.341 -2.462 -4.810 625 HA ARG 78 HA ARG 78 8.146 -1.358 -6.658 626 HB2 ARG 78 1HB ARG 78 8.078 -3.477 -7.838 627 HB3 ARG 78 2HB ARG 78 8.008 -3.806 -6.113 628 HG2 ARG 78 1HG ARG 78 5.597 -4.214 -6.263 629 HG3 ARG 78 2HG ARG 78 5.621 -3.829 -7.983 630 HD2 ARG 78 1HD ARG 78 7.081 -6.141 -6.666 631 HD3 ARG 78 2HD ARG 78 5.575 -6.269 -7.586 632 HE ARG 78 HE ARG 78 6.938 -5.304 -9.493 633 HH11 ARG 78 1HH1 ARG 78 8.395 -7.397 -7.068 634 HH12 ARG 78 2HH1 ARG 78 9.632 -7.964 -8.146 635 HH21 ARG 78 1HH2 ARG 78 8.572 -6.036 -10.859 636 HH22 ARG 78 2HH2 ARG 78 9.730 -7.194 -10.281 637 H THR 79 H THR 79 4.690 -1.775 -6.749 638 HA THR 79 HA THR 79 4.416 -1.070 -9.544 639 HB THR 79 HB THR 79 2.957 -2.765 -8.110 640 HG1 THR 79 HG1 THR 79 2.673 -2.190 -10.329 641 HG21 THR 79 3HG2 THR 79 0.898 -1.888 -7.225 642 HG22 THR 79 1HG2 THR 79 1.282 -0.244 -7.757 643 HG23 THR 79 2HG2 THR 79 2.204 -0.999 -6.441 644 H VAL 80 H VAL 80 4.145 0.443 -6.364 645 HA VAL 80 HA VAL 80 2.903 2.878 -7.103 646 HB VAL 80 HB VAL 80 4.827 2.196 -4.835 647 HG11 VAL 80 1HG1 VAL 80 5.291 4.564 -5.338 648 HG12 VAL 80 2HG1 VAL 80 4.433 4.420 -3.801 649 HG13 VAL 80 3HG1 VAL 80 3.565 4.936 -5.246 650 HG21 VAL 80 3HG2 VAL 80 1.878 2.934 -4.782 651 HG22 VAL 80 1HG2 VAL 80 2.854 2.488 -3.379 652 HG23 VAL 80 2HG2 VAL 80 2.533 1.304 -4.648 653 H GLU 81 H GLU 81 6.263 1.769 -7.252 654 HA GLU 81 HA GLU 81 7.395 4.282 -8.062 655 HB2 GLU 81 1HB GLU 81 8.596 1.534 -8.581 656 HB3 GLU 81 2HB GLU 81 9.447 3.064 -8.409 657 HG2 GLU 81 1HG GLU 81 7.973 1.643 -6.178 658 HG3 GLU 81 2HG GLU 81 9.690 1.518 -6.475 659 H GLN 82 H GLN 82 5.986 1.543 -9.740 660 HA GLN 82 HA GLN 82 6.740 2.269 -12.400 661 HB2 GLN 82 1HB GLN 82 6.091 -0.028 -11.978 662 HB3 GLN 82 2HB GLN 82 4.535 0.469 -11.324 663 HG2 GLN 82 1HG GLN 82 4.329 -0.501 -13.592 664 HG3 GLN 82 2HG GLN 82 3.774 1.173 -13.536 665 HE21 GLN 82 1HE2 GLN 82 4.091 1.607 -15.710 666 HE22 GLN 82 2HE2 GLN 82 5.642 1.661 -16.461 667 H LEU 83 H LEU 83 3.810 2.724 -10.465 668 HA LEU 83 HA LEU 83 2.355 4.303 -12.346 669 HB2 LEU 83 1HB LEU 83 2.086 3.944 -9.340 670 HB3 LEU 83 2HB LEU 83 0.925 4.820 -10.320 671 HG LEU 83 HG LEU 83 1.544 1.855 -10.524 672 HD11 LEU 83 1HD1 LEU 83 -0.684 1.496 -9.597 673 HD12 LEU 83 2HD1 LEU 83 -0.920 3.236 -9.425 674 HD13 LEU 83 3HD1 LEU 83 0.325 2.411 -8.481 675 HD21 LEU 83 3HD2 LEU 83 0.950 2.732 -12.721 676 HD22 LEU 83 1HD2 LEU 83 -0.507 3.484 -12.062 677 HD23 LEU 83 2HD2 LEU 83 -0.350 1.725 -12.093 678 H LYS 84 H LYS 84 4.760 4.999 -9.939 679 HA LYS 84 HA LYS 84 4.443 7.832 -9.733 680 HB2 LYS 84 1HB LYS 84 5.679 6.556 -8.055 681 HB3 LYS 84 2HB LYS 84 6.811 5.974 -9.264 682 HG2 LYS 84 1HG LYS 84 7.743 8.227 -9.518 683 HG3 LYS 84 2HG LYS 84 6.567 8.863 -8.362 684 HD2 LYS 84 1HD LYS 84 8.591 6.694 -7.687 685 HD3 LYS 84 2HD LYS 84 8.866 8.412 -7.399 686 HE2 LYS 84 1HE LYS 84 6.571 6.821 -6.196 687 HE3 LYS 84 2HE LYS 84 8.092 7.170 -5.373 688 HZ1 LYS 84 3HZ LYS 84 7.617 9.522 -5.548 689 HZ2 LYS 84 1HZ LYS 84 6.357 8.723 -4.756 690 HZ3 LYS 84 2HZ LYS 84 6.173 9.203 -6.363 691 H ALA 85 H ALA 85 6.278 5.635 -11.809 692 HA ALA 85 HA ALA 85 7.741 7.549 -13.324 693 HB1 ALA 85 3HB ALA 85 8.111 5.710 -14.935 694 HB2 ALA 85 1HB ALA 85 6.851 4.752 -14.150 695 HB3 ALA 85 2HB ALA 85 8.341 5.136 -13.281 696 H GLU 86 H GLU 86 4.643 5.886 -13.824 697 HA GLU 86 HA GLU 86 3.869 6.960 -16.294 698 HB2 GLU 86 1HB GLU 86 2.051 6.119 -13.985 699 HB3 GLU 86 2HB GLU 86 1.571 6.261 -15.671 700 HG2 GLU 86 1HG GLU 86 3.582 4.283 -14.572 701 HG3 GLU 86 2HG GLU 86 1.927 3.910 -15.007 702 H SER 87 H SER 87 3.192 8.072 -12.989 703 HA SER 87 HA SER 87 1.716 10.421 -13.716 704 HB2 SER 87 1HB SER 87 3.027 9.649 -11.067 705 HB3 SER 87 2HB SER 87 1.897 10.986 -11.278 706 HG SER 87 HG SER 87 1.299 8.267 -11.847 707 H ALA 88 H ALA 88 5.129 9.727 -13.467 708 HA ALA 88 HA ALA 88 6.070 12.413 -13.043 709 HB1 ALA 88 3HB ALA 88 7.550 10.018 -14.214 710 HB2 ALA 88 1HB ALA 88 7.487 10.456 -12.504 711 HB3 ALA 88 2HB ALA 88 8.286 11.523 -13.658 712 H LEU 89 H LEU 89 5.578 10.336 -15.904 713 HA LEU 89 HA LEU 89 6.322 12.384 -17.797 714 HB2 LEU 89 1HB LEU 89 5.096 9.615 -18.087 715 HB3 LEU 89 2HB LEU 89 5.222 10.691 -19.464 716 HG LEU 89 HG LEU 89 7.059 9.166 -19.581 717 HD11 LEU 89 1HD1 LEU 89 8.999 10.630 -19.568 718 HD12 LEU 89 2HD1 LEU 89 8.126 11.810 -18.587 719 HD13 LEU 89 3HD1 LEU 89 7.586 11.449 -20.229 720 HD21 LEU 89 3HD2 LEU 89 7.125 8.388 -17.279 721 HD22 LEU 89 1HD2 LEU 89 7.821 9.922 -16.756 722 HD23 LEU 89 2HD2 LEU 89 8.735 8.851 -17.825 723 H GLU 90 H GLU 90 3.368 11.384 -16.209 724 HA GLU 90 HA GLU 90 1.568 12.637 -18.120 725 HB2 GLU 90 1HB GLU 90 1.277 10.550 -16.238 726 HB3 GLU 90 2HB GLU 90 0.368 11.861 -15.513 727 HG2 GLU 90 1HG GLU 90 -1.093 10.436 -16.828 728 HG3 GLU 90 2HG GLU 90 -0.993 12.035 -17.564 729 H282 PNS 101 2H28 PNS 142 -11.808 -1.655 -5.987 730 H281 PNS 101 3H28 PNS 142 -12.083 -2.489 -4.457 731 H303 PNS 101 2H51 PNS 142 -12.922 -2.547 -8.109 732 H302 PNS 101 3H51 PNS 142 -14.484 -2.587 -7.289 733 H301 PNS 101 1H51 PNS 142 -13.837 -4.060 -8.035 734 H313 PNS 101 2H52 PNS 142 -14.744 -3.767 -5.096 735 H312 PNS 101 3H52 PNS 142 -14.107 -5.243 -5.813 736 H311 PNS 101 1H52 PNS 142 -13.348 -4.593 -4.360 737 H32 PNS 101 H32 PNS 142 -10.910 -3.643 -6.979 738 H33 PNS 101 H33 PNS 142 -10.780 -3.884 -4.685 739 H36 PNS 101 H36 PNS 142 -9.872 -5.365 -7.813 740 H372 PNS 101 2H37 PNS 142 -9.659 -7.002 -9.408 741 H371 PNS 101 3H37 PNS 142 -11.397 -7.292 -9.334 742 H382 PNS 101 2H38 PNS 142 -10.139 -9.252 -8.487 743 H381 PNS 101 3H38 PNS 142 -11.123 -8.514 -7.218 744 H41 PNS 101 H41 PNS 142 -9.995 -6.896 -5.828 745 H422 PNS 101 2H42 PNS 142 -7.147 -7.473 -5.249 746 H421 PNS 101 3H42 PNS 142 -7.948 -5.921 -4.998 747 H431 PNS 101 2H43 PNS 142 -8.622 -8.469 -3.499 748 H432 PNS 101 3H43 PNS 142 -7.669 -7.118 -2.859 749 H44 PNS 101 H44 PNS 142 -10.265 -6.957 -1.803 Start of MODEL 2 1 H1 MET 1 1H MET 1 14.841 7.033 -6.821 2 H2 MET 1 2H MET 1 13.501 7.865 -6.233 3 H3 MET 1 3H MET 1 13.635 7.551 -7.880 4 HA MET 1 HA MET 1 12.054 6.095 -6.933 5 HB2 MET 1 1HB MET 1 14.670 4.671 -7.603 6 HB3 MET 1 2HB MET 1 13.086 3.905 -7.583 7 HG2 MET 1 1HG MET 1 12.355 5.425 -9.414 8 HG3 MET 1 2HG MET 1 13.978 6.114 -9.454 9 HE1 MET 1 3HE MET 1 11.774 2.917 -10.236 10 HE2 MET 1 1HE MET 1 12.880 2.286 -9.012 11 HE3 MET 1 2HE MET 1 13.012 1.746 -10.686 12 H ASP 2 H ASP 2 11.353 5.057 -5.152 13 HA ASP 2 HA ASP 2 13.118 4.923 -2.782 14 HB2 ASP 2 1HB ASP 2 10.071 5.129 -2.915 15 HB3 ASP 2 2HB ASP 2 11.064 5.206 -1.461 16 H GLY 3 H GLY 3 11.790 3.294 -1.129 17 HA2 GLY 3 1HA GLY 3 10.577 0.979 -2.283 18 HA3 GLY 3 2HA GLY 3 12.272 0.664 -1.908 19 H GLU 4 H GLU 4 12.945 1.407 0.327 20 HA GLU 4 HA GLU 4 11.478 -0.079 2.252 21 HB2 GLU 4 1HB GLU 4 13.688 1.949 2.800 22 HB3 GLU 4 2HB GLU 4 13.213 0.598 3.820 23 HG2 GLU 4 1HG GLU 4 14.558 0.444 1.124 24 HG3 GLU 4 2HG GLU 4 15.303 0.115 2.685 25 H GLU 5 H GLU 5 11.799 3.279 1.509 26 HA GLU 5 HA GLU 5 10.551 4.475 3.746 27 HB2 GLU 5 1HB GLU 5 10.655 5.560 0.878 28 HB3 GLU 5 2HB GLU 5 10.309 6.500 2.324 29 HG2 GLU 5 1HG GLU 5 12.562 6.993 1.683 30 HG3 GLU 5 2HG GLU 5 12.642 5.989 3.132 31 H VAL 6 H VAL 6 9.354 3.565 0.523 32 HA VAL 6 HA VAL 6 6.663 4.322 0.769 33 HB VAL 6 HB VAL 6 7.694 1.904 -0.803 34 HG11 VAL 6 1HG1 VAL 6 5.810 2.387 -2.350 35 HG12 VAL 6 2HG1 VAL 6 5.275 3.690 -1.286 36 HG13 VAL 6 3HG1 VAL 6 5.244 2.019 -0.720 37 HG21 VAL 6 3HG2 VAL 6 9.086 3.827 -1.373 38 HG22 VAL 6 1HG2 VAL 6 7.653 4.803 -1.697 39 HG23 VAL 6 2HG2 VAL 6 8.032 3.424 -2.730 40 H LYS 7 H LYS 7 8.300 1.263 1.508 41 HA LYS 7 HA LYS 7 6.015 -0.244 2.162 42 HB2 LYS 7 1HB LYS 7 8.981 -0.622 2.688 43 HB3 LYS 7 2HB LYS 7 7.798 -1.771 3.314 44 HG2 LYS 7 1HG LYS 7 6.970 -2.154 1.003 45 HG3 LYS 7 2HG LYS 7 8.205 -1.061 0.388 46 HD2 LYS 7 1HD LYS 7 8.807 -3.621 1.919 47 HD3 LYS 7 2HD LYS 7 8.757 -3.510 0.160 48 HE2 LYS 7 1HE LYS 7 10.608 -1.887 0.190 49 HE3 LYS 7 2HE LYS 7 10.634 -1.937 1.956 50 HZ1 LYS 7 3HZ LYS 7 11.203 -4.234 0.163 51 HZ2 LYS 7 1HZ LYS 7 11.237 -4.262 1.855 52 HZ3 LYS 7 2HZ LYS 7 12.349 -3.318 0.995 53 H GLU 8 H GLU 8 8.334 1.507 4.308 54 HA GLU 8 HA GLU 8 7.075 0.612 6.729 55 HB2 GLU 8 1HB GLU 8 8.557 2.146 7.866 56 HB3 GLU 8 2HB GLU 8 9.463 1.420 6.546 57 HG2 GLU 8 1HG GLU 8 9.148 3.447 5.195 58 HG3 GLU 8 2HG GLU 8 8.218 4.183 6.500 59 H LYS 9 H LYS 9 6.643 3.498 4.711 60 HA LYS 9 HA LYS 9 4.965 5.018 6.386 61 HB2 LYS 9 1HB LYS 9 5.266 4.833 3.368 62 HB3 LYS 9 2HB LYS 9 4.138 5.963 4.105 63 HG2 LYS 9 1HG LYS 9 5.978 7.059 5.302 64 HG3 LYS 9 2HG LYS 9 7.129 5.906 4.615 65 HD2 LYS 9 1HD LYS 9 6.543 6.735 2.333 66 HD3 LYS 9 2HD LYS 9 5.458 7.921 3.067 67 HE2 LYS 9 1HE LYS 9 8.458 7.775 3.520 68 HE3 LYS 9 2HE LYS 9 7.629 8.931 2.471 69 HZ1 LYS 9 3HZ LYS 9 6.435 9.733 4.456 70 HZ2 LYS 9 1HZ LYS 9 8.105 9.947 4.573 71 HZ3 LYS 9 2HZ LYS 9 7.355 8.697 5.420 72 H ILE 10 H ILE 10 4.167 2.773 3.747 73 HA ILE 10 HA ILE 10 1.357 2.998 4.030 74 HB ILE 10 HB ILE 10 3.047 0.911 2.598 75 HG12 ILE 10 1HG1 ILE 10 1.539 3.330 1.510 76 HG13 ILE 10 2HG1 ILE 10 3.269 3.299 1.829 77 HG21 ILE 10 1HG2 ILE 10 1.006 0.313 1.317 78 HG22 ILE 10 2HG2 ILE 10 0.051 1.389 2.336 79 HG23 ILE 10 3HG2 ILE 10 0.811 -0.041 3.035 80 HD11 ILE 10 3HD1 ILE 10 3.517 1.529 0.140 81 HD12 ILE 10 1HD1 ILE 10 2.844 3.026 -0.504 82 HD13 ILE 10 2HD1 ILE 10 1.788 1.650 -0.202 83 H ARG 11 H ARG 11 3.741 0.623 5.267 84 HA ARG 11 HA ARG 11 1.853 -1.302 6.143 85 HB2 ARG 11 1HB ARG 11 3.650 -2.491 7.117 86 HB3 ARG 11 2HB ARG 11 4.344 -1.678 5.735 87 HG2 ARG 11 1HG ARG 11 6.016 -1.501 7.311 88 HG3 ARG 11 2HG ARG 11 5.223 0.066 7.422 89 HD2 ARG 11 1HD ARG 11 4.260 -0.446 9.520 90 HD3 ARG 11 2HD ARG 11 4.462 -2.177 9.291 91 HE ARG 11 HE ARG 11 6.466 -2.023 10.287 92 HH11 ARG 11 1HH1 ARG 11 5.856 1.195 8.965 93 HH12 ARG 11 2HH1 ARG 11 7.300 1.854 9.649 94 HH21 ARG 11 1HH2 ARG 11 8.296 -1.110 11.207 95 HH22 ARG 11 2HH2 ARG 11 8.678 0.559 10.912 96 H ARG 12 H ARG 12 3.146 1.596 7.491 97 HA ARG 12 HA ARG 12 2.300 1.120 10.171 98 HB2 ARG 12 1HB ARG 12 4.114 2.873 8.964 99 HB3 ARG 12 2HB ARG 12 2.791 3.958 9.351 100 HG2 ARG 12 1HG ARG 12 4.603 3.811 11.070 101 HG3 ARG 12 2HG ARG 12 2.984 3.465 11.697 102 HD2 ARG 12 1HD ARG 12 3.466 1.039 11.559 103 HD3 ARG 12 2HD ARG 12 5.060 1.402 10.894 104 HE ARG 12 HE ARG 12 4.691 2.669 13.416 105 HH11 ARG 12 1HH1 ARG 12 5.344 -0.489 12.024 106 HH12 ARG 12 2HH1 ARG 12 6.153 -1.070 13.441 107 HH21 ARG 12 1HH2 ARG 12 5.750 1.864 15.272 108 HH22 ARG 12 2HH2 ARG 12 6.379 0.246 15.263 109 H TYR 13 H TYR 13 1.089 2.935 7.384 110 HA TYR 13 HA TYR 13 -1.142 4.102 8.687 111 HB2 TYR 13 1HB TYR 13 -0.172 4.907 6.528 112 HB3 TYR 13 2HB TYR 13 -0.788 3.454 5.731 113 HD1 TYR 13 HD1 TYR 13 -2.036 6.280 7.908 114 HD2 TYR 13 HD2 TYR 13 -2.868 3.644 4.652 115 HE1 TYR 13 HE1 TYR 13 -4.174 7.415 7.534 116 HE2 TYR 13 HE2 TYR 13 -5.002 4.774 4.281 117 HH TYR 13 HH TYR 13 -6.628 6.107 5.706 118 H ILE 14 H ILE 14 -0.618 0.965 7.167 119 HA ILE 14 HA ILE 14 -3.312 0.054 7.153 120 HB ILE 14 HB ILE 14 -0.707 -1.530 7.371 121 HG12 ILE 14 1HG1 ILE 14 -2.396 -1.165 4.862 122 HG13 ILE 14 2HG1 ILE 14 -1.122 -0.028 5.284 123 HG21 ILE 14 1HG2 ILE 14 -3.480 -2.546 6.634 124 HG22 ILE 14 2HG2 ILE 14 -2.597 -2.923 8.113 125 HG23 ILE 14 3HG2 ILE 14 -1.988 -3.488 6.558 126 HD11 ILE 14 3HD1 ILE 14 -0.320 -1.642 3.699 127 HD12 ILE 14 1HD1 ILE 14 -0.759 -2.974 4.773 128 HD13 ILE 14 2HD1 ILE 14 0.510 -1.833 5.244 129 H MET 15 H MET 15 -0.810 0.230 9.638 130 HA MET 15 HA MET 15 -2.266 -1.249 11.662 131 HB2 MET 15 1HB MET 15 0.150 0.604 11.905 132 HB3 MET 15 2HB MET 15 -0.422 -0.496 13.154 133 HG2 MET 15 1HG MET 15 0.192 -2.414 11.876 134 HG3 MET 15 2HG MET 15 0.461 -1.446 10.433 135 HE1 MET 15 3HE MET 15 3.233 -1.293 14.101 136 HE2 MET 15 1HE MET 15 1.715 -2.184 14.050 137 HE3 MET 15 2HE MET 15 1.702 -0.417 14.062 138 H GLU 16 H GLU 16 -2.035 2.078 10.636 139 HA GLU 16 HA GLU 16 -2.979 3.294 13.086 140 HB2 GLU 16 1HB GLU 16 -2.365 4.390 10.322 141 HB3 GLU 16 2HB GLU 16 -2.900 5.405 11.651 142 HG2 GLU 16 1HG GLU 16 -0.369 3.734 11.676 143 HG3 GLU 16 2HG GLU 16 -0.436 5.448 11.279 144 H ASP 17 H ASP 17 -4.251 3.081 9.762 145 HA ASP 17 HA ASP 17 -6.849 4.162 10.616 146 HB2 ASP 17 1HB ASP 17 -5.703 5.330 8.808 147 HB3 ASP 17 2HB ASP 17 -5.559 3.850 7.876 148 H LEU 18 H LEU 18 -5.464 1.387 8.848 149 HA LEU 18 HA LEU 18 -8.026 0.346 8.028 150 HB2 LEU 18 1HB LEU 18 -5.188 -0.678 7.736 151 HB3 LEU 18 2HB LEU 18 -6.567 -1.621 7.206 152 HG LEU 18 HG LEU 18 -7.166 0.176 5.574 153 HD11 LEU 18 1HD1 LEU 18 -5.617 1.990 5.019 154 HD12 LEU 18 2HD1 LEU 18 -4.589 1.536 6.384 155 HD13 LEU 18 3HD1 LEU 18 -6.220 2.145 6.671 156 HD21 LEU 18 3HD2 LEU 18 -4.336 -0.857 5.293 157 HD22 LEU 18 1HD2 LEU 18 -5.356 -0.256 3.981 158 HD23 LEU 18 2HD2 LEU 18 -5.813 -1.719 4.850 159 H ILE 19 H ILE 19 -5.455 -1.032 10.089 160 HA ILE 19 HA ILE 19 -7.319 -3.028 11.200 161 HB ILE 19 HB ILE 19 -4.279 -2.890 11.440 162 HG12 ILE 19 1HG1 ILE 19 -5.944 -4.518 9.472 163 HG13 ILE 19 2HG1 ILE 19 -4.918 -3.148 9.055 164 HG21 ILE 19 1HG2 ILE 19 -5.324 -4.260 13.200 165 HG22 ILE 19 2HG2 ILE 19 -4.374 -5.250 12.094 166 HG23 ILE 19 3HG2 ILE 19 -6.133 -5.228 11.966 167 HD11 ILE 19 3HD1 ILE 19 -2.946 -4.419 9.804 168 HD12 ILE 19 1HD1 ILE 19 -3.823 -5.216 8.501 169 HD13 ILE 19 2HD1 ILE 19 -3.987 -5.806 10.151 170 H GLY 20 H GLY 20 -7.297 -3.426 13.485 171 HA2 GLY 20 1HA GLY 20 -6.377 -1.183 15.215 172 HA3 GLY 20 2HA GLY 20 -7.902 -2.017 15.458 173 HA PRO 21 HA PRO 21 -5.991 -4.706 18.388 174 HB2 PRO 21 1HB PRO 21 -7.287 -7.140 17.972 175 HB3 PRO 21 2HB PRO 21 -8.033 -5.743 18.768 176 HG2 PRO 21 1HG PRO 21 -8.302 -6.639 15.914 177 HG3 PRO 21 2HG PRO 21 -9.562 -6.065 17.033 178 HD2 PRO 21 1HD PRO 21 -8.518 -4.446 15.137 179 HD3 PRO 21 2HD PRO 21 -8.991 -3.811 16.729 180 H SER 22 H SER 22 -5.950 -5.917 15.065 181 HA SER 22 HA SER 22 -3.869 -7.923 15.601 182 HB2 SER 22 1HB SER 22 -5.814 -8.482 14.161 183 HB3 SER 22 2HB SER 22 -5.367 -7.193 13.050 184 HG SER 22 HG SER 22 -3.547 -8.313 12.482 185 H ALA 23 H ALA 23 -3.144 -5.126 15.969 186 HA ALA 23 HA ALA 23 -0.996 -4.849 13.984 187 HB1 ALA 23 3HB ALA 23 -2.799 -3.366 13.219 188 HB2 ALA 23 1HB ALA 23 -1.410 -2.435 13.786 189 HB3 ALA 23 2HB ALA 23 -2.850 -2.588 14.802 190 H LYS 24 H LYS 24 -0.154 -5.939 15.993 191 HA LYS 24 HA LYS 24 0.621 -4.435 18.256 192 HB2 LYS 24 1HB LYS 24 0.742 -7.007 17.801 193 HB3 LYS 24 2HB LYS 24 2.259 -6.666 16.985 194 HG2 LYS 24 1HG LYS 24 2.748 -7.436 19.200 195 HG3 LYS 24 2HG LYS 24 3.124 -5.711 19.132 196 HD2 LYS 24 1HD LYS 24 1.170 -5.132 20.394 197 HD3 LYS 24 2HD LYS 24 0.468 -6.740 20.189 198 HE2 LYS 24 1HE LYS 24 1.373 -6.363 22.481 199 HE3 LYS 24 2HE LYS 24 2.148 -7.715 21.660 200 HZ1 LYS 24 3HZ LYS 24 3.263 -4.986 21.991 201 HZ2 LYS 24 1HZ LYS 24 3.998 -6.228 21.120 202 HZ3 LYS 24 2HZ LYS 24 3.776 -6.385 22.785 203 H GLU 25 H GLU 25 3.157 -3.878 18.581 204 HA GLU 25 HA GLU 25 3.582 -1.559 17.198 205 HB2 GLU 25 1HB GLU 25 5.904 -1.501 17.987 206 HB3 GLU 25 2HB GLU 25 4.773 -1.927 19.256 207 HG2 GLU 25 1HG GLU 25 6.355 -4.008 17.749 208 HG3 GLU 25 2HG GLU 25 7.003 -3.188 19.164 209 H ASP 26 H ASP 26 4.707 -4.714 16.182 210 HA ASP 26 HA ASP 26 4.749 -3.701 13.476 211 HB2 ASP 26 1HB ASP 26 7.270 -4.637 14.814 212 HB3 ASP 26 2HB ASP 26 7.008 -5.226 13.175 213 H GLU 27 H GLU 27 2.760 -4.974 13.816 214 HA GLU 27 HA GLU 27 3.092 -7.851 13.310 215 HB2 GLU 27 1HB GLU 27 0.806 -6.100 14.099 216 HB3 GLU 27 2HB GLU 27 0.369 -7.340 12.928 217 HG2 GLU 27 1HG GLU 27 1.648 -7.810 15.630 218 HG3 GLU 27 2HG GLU 27 -0.044 -8.064 15.229 219 H LEU 28 H LEU 28 3.025 -4.965 11.558 220 HA LEU 28 HA LEU 28 2.360 -6.327 9.025 221 HB2 LEU 28 1HB LEU 28 2.206 -3.449 9.956 222 HB3 LEU 28 2HB LEU 28 2.446 -3.763 8.253 223 HG LEU 28 HG LEU 28 0.076 -3.383 8.713 224 HD11 LEU 28 1HD1 LEU 28 0.557 -6.293 8.015 225 HD12 LEU 28 2HD1 LEU 28 0.597 -4.925 6.898 226 HD13 LEU 28 3HD1 LEU 28 -0.910 -5.364 7.692 227 HD21 LEU 28 3HD2 LEU 28 -0.004 -4.099 11.058 228 HD22 LEU 28 1HD2 LEU 28 0.168 -5.783 10.563 229 HD23 LEU 28 2HD2 LEU 28 -1.273 -4.864 10.110 230 H ASP 29 H ASP 29 3.957 -6.881 7.774 231 HA ASP 29 HA ASP 29 6.686 -5.741 8.016 232 HB2 ASP 29 1HB ASP 29 6.457 -7.908 9.262 233 HB3 ASP 29 2HB ASP 29 5.880 -8.690 7.803 234 H ASP 30 H ASP 30 8.042 -6.594 6.106 235 HA ASP 30 HA ASP 30 7.074 -5.582 3.673 236 HB2 ASP 30 1HB ASP 30 9.433 -7.460 4.148 237 HB3 ASP 30 2HB ASP 30 9.160 -6.522 2.680 238 H GLN 31 H GLN 31 7.244 -8.824 4.983 239 HA GLN 31 HA GLN 31 6.268 -10.016 2.460 240 HB2 GLN 31 1HB GLN 31 8.046 -11.213 4.636 241 HB3 GLN 31 2HB GLN 31 7.296 -12.168 3.358 242 HG2 GLN 31 1HG GLN 31 8.517 -10.821 1.660 243 HG3 GLN 31 2HG GLN 31 9.312 -9.938 2.958 244 HE21 GLN 31 1HE2 GLN 31 9.076 -13.019 1.320 245 HE22 GLN 31 2HE2 GLN 31 10.545 -13.684 1.940 246 H THR 32 H THR 32 5.040 -8.921 5.222 247 HA THR 32 HA THR 32 3.296 -11.011 6.013 248 HB THR 32 HB THR 32 3.089 -8.004 6.186 249 HG1 THR 32 HG1 THR 32 3.054 -9.409 8.517 250 HG21 THR 32 3HG2 THR 32 0.770 -8.841 6.054 251 HG22 THR 32 1HG2 THR 32 1.136 -8.260 7.677 252 HG23 THR 32 2HG2 THR 32 1.105 -9.993 7.349 253 HA PRO 33 HA PRO 33 1.114 -10.970 2.029 254 HB2 PRO 33 1HB PRO 33 -0.521 -13.092 2.518 255 HB3 PRO 33 2HB PRO 33 1.208 -13.299 2.196 256 HG2 PRO 33 1HG PRO 33 -0.229 -13.318 4.836 257 HG3 PRO 33 2HG PRO 33 1.064 -14.392 4.254 258 HD2 PRO 33 1HD PRO 33 1.533 -12.252 5.913 259 HD3 PRO 33 2HD PRO 33 2.737 -12.874 4.760 260 H LEU 34 H LEU 34 0.121 -8.988 2.278 261 HA LEU 34 HA LEU 34 -1.714 -8.178 4.207 262 HB2 LEU 34 1HB LEU 34 -1.491 -7.110 1.368 263 HB3 LEU 34 2HB LEU 34 -2.139 -6.253 2.762 264 HG LEU 34 HG LEU 34 0.781 -7.007 2.320 265 HD11 LEU 34 1HD1 LEU 34 1.166 -4.592 2.211 266 HD12 LEU 34 2HD1 LEU 34 -0.568 -4.294 2.370 267 HD13 LEU 34 3HD1 LEU 34 0.062 -5.132 0.945 268 HD21 LEU 34 3HD2 LEU 34 -0.443 -5.574 4.696 269 HD22 LEU 34 1HD2 LEU 34 1.285 -5.784 4.392 270 HD23 LEU 34 2HD2 LEU 34 0.270 -7.190 4.701 271 H LEU 35 H LEU 35 -2.301 -9.233 0.863 272 HA LEU 35 HA LEU 35 -5.126 -8.941 0.925 273 HB2 LEU 35 1HB LEU 35 -3.551 -8.997 -1.099 274 HB3 LEU 35 2HB LEU 35 -3.549 -10.745 -0.934 275 HG LEU 35 HG LEU 35 -6.079 -10.683 -1.214 276 HD11 LEU 35 1HD1 LEU 35 -5.572 -7.780 -1.941 277 HD12 LEU 35 2HD1 LEU 35 -6.480 -8.371 -0.545 278 HD13 LEU 35 3HD1 LEU 35 -7.093 -8.652 -2.172 279 HD21 LEU 35 3HD2 LEU 35 -6.004 -10.397 -3.645 280 HD22 LEU 35 1HD2 LEU 35 -4.603 -11.297 -3.061 281 HD23 LEU 35 2HD2 LEU 35 -4.434 -9.596 -3.511 282 H GLU 36 H GLU 36 -2.951 -11.584 1.674 283 HA GLU 36 HA GLU 36 -4.872 -13.696 1.785 284 HB2 GLU 36 1HB GLU 36 -2.319 -13.886 1.502 285 HB3 GLU 36 2HB GLU 36 -2.197 -13.587 3.229 286 HG2 GLU 36 1HG GLU 36 -2.034 -15.950 2.870 287 HG3 GLU 36 2HG GLU 36 -3.598 -15.632 3.618 288 H TRP 37 H TRP 37 -3.575 -11.375 4.122 289 HA TRP 37 HA TRP 37 -4.988 -12.319 6.424 290 HB2 TRP 37 1HB TRP 37 -3.701 -9.656 5.699 291 HB3 TRP 37 2HB TRP 37 -4.621 -9.833 7.187 292 HD1 TRP 37 HD1 TRP 37 -2.050 -12.406 5.795 293 HE1 TRP 37 HE1 TRP 37 -0.194 -12.689 7.545 294 HE3 TRP 37 HE3 TRP 37 -3.565 -8.875 9.179 295 HZ2 TRP 37 HZ2 TRP 37 0.540 -11.583 10.034 296 HZ3 TRP 37 HZ3 TRP 37 -2.224 -8.543 11.226 297 HH2 TRP 37 HH2 TRP 37 -0.209 -9.874 11.640 298 H GLY 38 H GLY 38 -5.962 -10.551 3.596 299 HA2 GLY 38 1HA GLY 38 -8.034 -9.879 2.873 300 HA3 GLY 38 2HA GLY 38 -8.735 -10.530 4.348 301 H ILE 39 H ILE 39 -6.147 -8.279 4.644 302 HA ILE 39 HA ILE 39 -7.854 -6.379 6.035 303 HB ILE 39 HB ILE 39 -5.747 -5.226 6.631 304 HG12 ILE 39 1HG1 ILE 39 -4.414 -7.336 4.866 305 HG13 ILE 39 2HG1 ILE 39 -4.446 -5.607 4.566 306 HG21 ILE 39 1HG2 ILE 39 -6.550 -7.059 8.045 307 HG22 ILE 39 2HG2 ILE 39 -4.788 -7.057 8.014 308 HG23 ILE 39 3HG2 ILE 39 -5.682 -8.240 7.059 309 HD11 ILE 39 3HD1 ILE 39 -3.070 -5.255 6.560 310 HD12 ILE 39 1HD1 ILE 39 -2.295 -6.292 5.367 311 HD13 ILE 39 2HD1 ILE 39 -3.012 -7.002 6.814 312 H LEU 40 H LEU 40 -6.836 -6.783 2.835 313 HA LEU 40 HA LEU 40 -7.110 -3.906 2.199 314 HB2 LEU 40 1HB LEU 40 -5.919 -6.133 0.507 315 HB3 LEU 40 2HB LEU 40 -6.079 -4.454 0.015 316 HG LEU 40 HG LEU 40 -4.240 -5.573 2.159 317 HD11 LEU 40 1HD1 LEU 40 -3.419 -5.808 -0.124 318 HD12 LEU 40 2HD1 LEU 40 -2.462 -4.630 0.769 319 HD13 LEU 40 3HD1 LEU 40 -3.653 -4.079 -0.414 320 HD21 LEU 40 3HD2 LEU 40 -5.173 -3.490 3.032 321 HD22 LEU 40 1HD2 LEU 40 -4.765 -2.645 1.534 322 HD23 LEU 40 2HD2 LEU 40 -3.485 -3.263 2.587 323 H ASN 41 H ASN 41 -9.321 -3.879 2.313 324 HA ASN 41 HA ASN 41 -10.779 -5.190 0.085 325 HB2 ASN 41 1HB ASN 41 -11.860 -4.159 2.749 326 HB3 ASN 41 2HB ASN 41 -12.850 -4.821 1.452 327 HD21 ASN 41 1HD2 ASN 41 -10.957 -6.991 0.790 328 HD22 ASN 41 2HD2 ASN 41 -11.079 -8.120 2.090 329 H SER 42 H SER 42 -12.682 -3.799 -0.661 330 HA SER 42 HA SER 42 -11.502 -1.636 -1.995 331 HB2 SER 42 2HB SER 42 -13.351 -3.079 -2.856 332 HB3 SER 42 1HB SER 42 -14.476 -2.230 -1.786 333 H MET 43 H MET 43 -13.401 -1.674 0.960 334 HA MET 43 HA MET 43 -14.136 1.081 0.995 335 HB2 MET 43 1HB MET 43 -15.330 -0.667 2.284 336 HB3 MET 43 2HB MET 43 -13.914 -0.901 3.303 337 HG2 MET 43 1HG MET 43 -15.680 0.461 4.389 338 HG3 MET 43 2HG MET 43 -14.159 1.338 4.226 339 HE1 MET 43 3HE MET 43 -16.686 0.774 1.167 340 HE2 MET 43 1HE MET 43 -17.758 2.156 1.401 341 HE3 MET 43 2HE MET 43 -17.754 0.838 2.572 342 H ASN 44 H ASN 44 -11.441 -0.745 2.463 343 HA ASN 44 HA ASN 44 -10.306 1.692 3.628 344 HB2 ASN 44 1HB ASN 44 -8.661 0.210 4.697 345 HB3 ASN 44 2HB ASN 44 -10.308 -0.314 5.020 346 HD21 ASN 44 1HD2 ASN 44 -7.375 -1.030 3.240 347 HD22 ASN 44 2HD2 ASN 44 -7.754 -2.679 2.928 348 H ILE 45 H ILE 45 -9.962 -0.086 0.722 349 HA ILE 45 HA ILE 45 -7.178 0.145 0.251 350 HB ILE 45 HB ILE 45 -8.940 -1.367 -0.979 351 HG12 ILE 45 1HG1 ILE 45 -7.517 -1.355 -3.139 352 HG13 ILE 45 2HG1 ILE 45 -6.628 -0.020 -2.417 353 HG21 ILE 45 1HG2 ILE 45 -9.790 -0.553 -3.140 354 HG22 ILE 45 2HG2 ILE 45 -9.129 1.047 -2.803 355 HG23 ILE 45 3HG2 ILE 45 -10.428 0.408 -1.803 356 HD11 ILE 45 3HD1 ILE 45 -5.496 -2.124 -2.121 357 HD12 ILE 45 1HD1 ILE 45 -6.892 -2.794 -1.284 358 HD13 ILE 45 2HD1 ILE 45 -5.976 -1.466 -0.558 359 H VAL 46 H VAL 46 -9.864 2.310 -0.244 360 HA VAL 46 HA VAL 46 -8.638 4.104 -2.090 361 HB VAL 46 HB VAL 46 -10.582 5.582 -1.645 362 HG11 VAL 46 1HG1 VAL 46 -12.356 4.018 -2.428 363 HG12 VAL 46 2HG1 VAL 46 -11.333 2.643 -2.002 364 HG13 VAL 46 3HG1 VAL 46 -10.832 3.755 -3.279 365 HG21 VAL 46 3HG2 VAL 46 -11.360 3.557 0.498 366 HG22 VAL 46 1HG2 VAL 46 -12.372 4.891 -0.065 367 HG23 VAL 46 2HG2 VAL 46 -10.859 5.225 0.780 368 H LYS 47 H LYS 47 -8.752 3.903 1.442 369 HA LYS 47 HA LYS 47 -7.636 6.482 1.932 370 HB2 LYS 47 1HB LYS 47 -8.027 4.054 3.678 371 HB3 LYS 47 2HB LYS 47 -7.011 5.377 4.236 372 HG2 LYS 47 1HG LYS 47 -9.025 6.037 5.152 373 HG3 LYS 47 2HG LYS 47 -9.108 6.871 3.600 374 HD2 LYS 47 1HD LYS 47 -11.248 5.878 3.892 375 HD3 LYS 47 2HD LYS 47 -10.414 4.834 2.736 376 HE2 LYS 47 1HE LYS 47 -11.630 3.528 4.439 377 HE3 LYS 47 2HE LYS 47 -9.891 3.241 4.524 378 HZ1 LYS 47 3HZ LYS 47 -9.733 4.673 6.413 379 HZ2 LYS 47 1HZ LYS 47 -10.956 3.544 6.711 380 HZ3 LYS 47 2HZ LYS 47 -11.355 5.129 6.286 381 H LEU 48 H LEU 48 -6.240 3.318 1.218 382 HA LEU 48 HA LEU 48 -3.541 4.067 1.722 383 HB2 LEU 48 1HB LEU 48 -4.742 1.931 -0.081 384 HB3 LEU 48 2HB LEU 48 -3.006 2.176 0.058 385 HG LEU 48 HG LEU 48 -4.877 1.366 2.319 386 HD11 LEU 48 1HD1 LEU 48 -3.709 -0.775 2.264 387 HD12 LEU 48 2HD1 LEU 48 -2.737 -0.239 0.890 388 HD13 LEU 48 3HD1 LEU 48 -4.483 -0.447 0.714 389 HD21 LEU 48 3HD2 LEU 48 -2.866 1.109 3.700 390 HD22 LEU 48 1HD2 LEU 48 -3.053 2.779 3.168 391 HD23 LEU 48 2HD2 LEU 48 -1.862 1.736 2.388 392 H MET 49 H MET 49 -5.594 4.194 -1.225 393 HA MET 49 HA MET 49 -3.752 5.042 -3.117 394 HB2 MET 49 1HB MET 49 -6.605 6.077 -2.884 395 HB3 MET 49 2HB MET 49 -5.614 6.083 -4.338 396 HG2 MET 49 1HG MET 49 -5.722 3.685 -4.496 397 HG3 MET 49 2HG MET 49 -6.542 3.579 -2.931 398 HE1 MET 49 3HE MET 49 -8.555 2.199 -3.880 399 HE2 MET 49 1HE MET 49 -7.825 2.166 -5.486 400 HE3 MET 49 2HE MET 49 -9.507 2.660 -5.291 401 H VAL 50 H VAL 50 -5.675 7.038 -0.910 402 HA VAL 50 HA VAL 50 -4.655 9.556 -1.862 403 HB VAL 50 HB VAL 50 -5.940 10.625 -0.089 404 HG11 VAL 50 1HG1 VAL 50 -7.191 9.914 -2.085 405 HG12 VAL 50 2HG1 VAL 50 -8.213 9.816 -0.652 406 HG13 VAL 50 3HG1 VAL 50 -7.527 8.345 -1.343 407 HG21 VAL 50 3HG2 VAL 50 -7.191 9.354 1.630 408 HG22 VAL 50 1HG2 VAL 50 -5.454 9.068 1.775 409 HG23 VAL 50 2HG2 VAL 50 -6.487 7.847 1.038 410 H TYR 51 H TYR 51 -3.801 7.369 0.789 411 HA TYR 51 HA TYR 51 -2.139 9.077 2.297 412 HB2 TYR 51 1HB TYR 51 -2.899 6.855 3.104 413 HB3 TYR 51 2HB TYR 51 -1.930 6.068 1.876 414 HD1 TYR 51 HD1 TYR 51 -1.610 8.412 4.800 415 HD2 TYR 51 HD2 TYR 51 0.313 5.445 2.385 416 HE1 TYR 51 HE1 TYR 51 0.326 8.437 6.315 417 HE2 TYR 51 HE2 TYR 51 2.237 5.465 3.895 418 HH TYR 51 HH TYR 51 3.279 7.182 5.533 419 H ILE 52 H ILE 52 -1.429 6.788 -0.272 420 HA ILE 52 HA ILE 52 1.396 7.236 -0.462 421 HB ILE 52 HB ILE 52 -0.605 5.934 -2.368 422 HG12 ILE 52 1HG1 ILE 52 1.197 4.452 -0.419 423 HG13 ILE 52 2HG1 ILE 52 -0.354 5.079 0.121 424 HG21 ILE 52 1HG2 ILE 52 1.499 6.432 -3.527 425 HG22 ILE 52 2HG2 ILE 52 1.309 4.693 -3.290 426 HG23 ILE 52 3HG2 ILE 52 2.413 5.608 -2.258 427 HD11 ILE 52 3HD1 ILE 52 -1.496 3.744 -1.519 428 HD12 ILE 52 1HD1 ILE 52 -0.485 2.752 -0.468 429 HD13 ILE 52 2HD1 ILE 52 0.046 3.109 -2.116 430 H ARG 53 H ARG 53 -1.455 8.488 -2.109 431 HA ARG 53 HA ARG 53 -0.328 10.072 -4.123 432 HB2 ARG 53 1HB ARG 53 -2.701 9.664 -4.056 433 HB3 ARG 53 2HB ARG 53 -2.849 10.376 -2.455 434 HG2 ARG 53 1HG ARG 53 -2.442 12.605 -3.356 435 HG3 ARG 53 2HG ARG 53 -2.132 11.930 -4.956 436 HD2 ARG 53 1HD ARG 53 -4.450 11.160 -5.130 437 HD3 ARG 53 2HD ARG 53 -4.782 11.712 -3.486 438 HE ARG 53 HE ARG 53 -4.737 13.932 -4.204 439 HH11 ARG 53 1HH1 ARG 53 -4.199 11.794 -6.950 440 HH12 ARG 53 2HH1 ARG 53 -4.525 13.023 -8.125 441 HH21 ARG 53 1HH2 ARG 53 -5.162 15.528 -5.745 442 HH22 ARG 53 2HH2 ARG 53 -5.073 15.147 -7.433 443 H ASP 54 H ASP 54 -0.771 10.695 -0.681 444 HA ASP 54 HA ASP 54 0.066 13.471 -0.815 445 HB2 ASP 54 1HB ASP 54 -1.678 12.658 0.755 446 HB3 ASP 54 2HB ASP 54 -0.498 11.638 1.556 447 H GLU 55 H GLU 55 1.421 10.391 0.287 448 HA GLU 55 HA GLU 55 3.848 11.553 1.392 449 HB2 GLU 55 1HB GLU 55 2.985 8.647 1.042 450 HB3 GLU 55 2HB GLU 55 4.458 9.146 1.857 451 HG2 GLU 55 1HG GLU 55 1.677 9.919 2.765 452 HG3 GLU 55 2HG GLU 55 2.577 8.532 3.375 453 H MET 56 H MET 56 3.352 8.910 -0.995 454 HA MET 56 HA MET 56 6.020 9.148 -2.045 455 HB2 MET 56 1HB MET 56 3.718 7.276 -2.453 456 HB3 MET 56 2HB MET 56 4.888 7.367 -3.761 457 HG2 MET 56 1HG MET 56 5.336 5.531 -2.191 458 HG3 MET 56 2HG MET 56 6.668 6.676 -2.293 459 HE1 MET 56 3HE MET 56 3.811 5.171 -0.089 460 HE2 MET 56 1HE MET 56 3.271 6.844 -0.269 461 HE3 MET 56 2HE MET 56 3.812 6.256 1.305 462 H GLY 57 H GLY 57 2.992 10.529 -2.813 463 HA2 GLY 57 1HA GLY 57 2.432 12.140 -4.341 464 HA3 GLY 57 2HA GLY 57 4.040 12.027 -5.043 465 H VAL 58 H VAL 58 2.041 9.165 -4.652 466 HA VAL 58 HA VAL 58 1.213 9.299 -7.474 467 HB VAL 58 HB VAL 58 3.139 7.763 -7.403 468 HG11 VAL 58 1HG1 VAL 58 1.593 6.028 -5.524 469 HG12 VAL 58 2HG1 VAL 58 3.044 6.950 -5.131 470 HG13 VAL 58 3HG1 VAL 58 3.129 5.628 -6.301 471 HG21 VAL 58 3HG2 VAL 58 1.330 7.402 -9.045 472 HG22 VAL 58 1HG2 VAL 58 0.531 6.311 -7.907 473 HG23 VAL 58 2HG2 VAL 58 2.106 5.888 -8.583 474 H SER 59 H SER 59 -0.882 9.242 -7.608 475 HA SER 59 HA SER 59 -2.562 8.051 -5.546 476 HB2 SER 59 1HB SER 59 -3.164 10.229 -6.602 477 HB3 SER 59 2HB SER 59 -3.383 9.414 -8.150 478 HG SER 59 HG SER 59 -5.238 8.672 -7.471 479 H ILE 60 H ILE 60 -3.117 5.958 -5.651 480 HA ILE 60 HA ILE 60 -2.660 4.320 -7.982 481 HB ILE 60 HB ILE 60 -4.062 3.641 -5.368 482 HG12 ILE 60 1HG1 ILE 60 -1.187 3.072 -6.225 483 HG13 ILE 60 2HG1 ILE 60 -1.671 4.291 -5.048 484 HG21 ILE 60 1HG2 ILE 60 -3.038 1.769 -7.538 485 HG22 ILE 60 2HG2 ILE 60 -4.733 2.096 -7.170 486 HG23 ILE 60 3HG2 ILE 60 -3.721 1.273 -5.985 487 HD11 ILE 60 3HD1 ILE 60 -1.995 1.299 -4.759 488 HD12 ILE 60 1HD1 ILE 60 -2.555 2.506 -3.592 489 HD13 ILE 60 2HD1 ILE 60 -0.831 2.329 -3.927 490 HA PRO 61 HA PRO 61 -6.914 5.111 -9.521 491 HB2 PRO 61 1HB PRO 61 -6.701 3.607 -11.822 492 HB3 PRO 61 2HB PRO 61 -6.059 5.254 -11.683 493 HG2 PRO 61 1HG PRO 61 -4.584 2.647 -11.442 494 HG3 PRO 61 2HG PRO 61 -4.104 4.130 -12.298 495 HD2 PRO 61 1HD PRO 61 -3.121 3.502 -9.836 496 HD3 PRO 61 2HD PRO 61 -3.388 5.187 -10.347 497 H SER 62 H SER 62 -8.803 3.842 -9.617 498 HA SER 62 HA SER 62 -8.868 1.560 -7.938 499 HB2 SER 62 1HB SER 62 -11.317 1.478 -8.562 500 HB3 SER 62 2HB SER 62 -10.778 3.054 -7.979 501 HG SER 62 HG SER 62 -12.099 2.803 -10.053 502 H THR 63 H THR 63 -8.704 1.951 -11.410 503 HA THR 63 HA THR 63 -9.381 -0.697 -12.197 504 HB THR 63 HB THR 63 -9.440 1.229 -13.765 505 HG1 THR 63 HG1 THR 63 -8.181 0.097 -15.503 506 HG21 THR 63 3HG2 THR 63 -6.396 1.140 -13.697 507 HG22 THR 63 1HG2 THR 63 -7.395 2.425 -13.009 508 HG23 THR 63 2HG2 THR 63 -7.384 2.151 -14.752 509 H HIS 64 H HIS 64 -6.579 0.589 -10.680 510 HA HIS 64 HA HIS 64 -4.691 -1.419 -11.615 511 HB2 HIS 64 1HB HIS 64 -3.778 0.757 -11.137 512 HB3 HIS 64 2HB HIS 64 -4.526 0.821 -9.550 513 HD1 HIS 64 HD1 HIS 64 -3.384 -0.432 -7.658 514 HD2 HIS 64 HD2 HIS 64 -1.371 -0.710 -11.264 515 HE1 HIS 64 HE1 HIS 64 -1.120 -1.320 -7.089 516 HE2 HIS 64 HE2 HIS 64 -0.037 -1.694 -9.327 517 H ILE 65 H ILE 65 -7.138 -1.341 -9.196 518 HA ILE 65 HA ILE 65 -5.736 -2.629 -7.043 519 HB ILE 65 HB ILE 65 -8.760 -2.456 -7.388 520 HG12 ILE 65 1HG1 ILE 65 -7.883 -0.182 -7.532 521 HG13 ILE 65 2HG1 ILE 65 -8.636 -0.386 -5.959 522 HG21 ILE 65 1HG2 ILE 65 -8.810 -2.649 -4.903 523 HG22 ILE 65 2HG2 ILE 65 -7.054 -2.831 -4.884 524 HG23 ILE 65 3HG2 ILE 65 -8.059 -4.059 -5.653 525 HD11 ILE 65 3HD1 ILE 65 -5.682 -0.405 -6.550 526 HD12 ILE 65 1HD1 ILE 65 -6.407 -0.654 -4.958 527 HD13 ILE 65 2HD1 ILE 65 -6.606 0.888 -5.790 528 H THR 66 H THR 66 -4.926 -4.615 -7.439 529 HA THR 66 HA THR 66 -6.697 -6.850 -7.984 530 HB THR 66 HB THR 66 -6.186 -6.168 -10.276 531 HG1 THR 66 HG1 THR 66 -6.108 -8.224 -10.656 532 HG21 THR 66 3HG2 THR 66 -3.892 -6.148 -11.174 533 HG22 THR 66 1HG2 THR 66 -3.251 -6.458 -9.559 534 HG23 THR 66 2HG2 THR 66 -4.087 -4.942 -9.902 535 H GLY 67 H GLY 67 -5.517 -8.942 -7.866 536 HA2 GLY 67 1HA GLY 67 -4.432 -9.134 -5.309 537 HA3 GLY 67 2HA GLY 67 -4.474 -10.424 -6.492 538 H LYS 68 H LYS 68 -2.758 -9.348 -8.429 539 HA LYS 68 HA LYS 68 -0.285 -10.279 -7.520 540 HB2 LYS 68 1HB LYS 68 0.608 -9.426 -9.719 541 HB3 LYS 68 2HB LYS 68 -0.825 -10.435 -9.850 542 HG2 LYS 68 1HG LYS 68 -2.206 -8.324 -10.041 543 HG3 LYS 68 2HG LYS 68 -0.691 -7.420 -10.150 544 HD2 LYS 68 1HD LYS 68 -0.076 -8.621 -12.201 545 HD3 LYS 68 2HD LYS 68 -1.502 -9.658 -12.061 546 HE2 LYS 68 1HE LYS 68 -2.950 -7.645 -12.328 547 HE3 LYS 68 2HE LYS 68 -1.504 -6.657 -12.537 548 HZ1 LYS 68 3HZ LYS 68 -2.391 -8.861 -14.311 549 HZ2 LYS 68 1HZ LYS 68 -0.960 -7.983 -14.495 550 HZ3 LYS 68 2HZ LYS 68 -2.451 -7.207 -14.651 551 H TYR 69 H TYR 69 -1.541 -6.999 -7.666 552 HA TYR 69 HA TYR 69 1.055 -5.806 -6.978 553 HB2 TYR 69 1HB TYR 69 -1.632 -4.554 -7.679 554 HB3 TYR 69 2HB TYR 69 -0.174 -3.633 -7.320 555 HD1 TYR 69 HD1 TYR 69 1.851 -5.367 -8.844 556 HD2 TYR 69 HD2 TYR 69 -2.009 -3.886 -9.938 557 HE1 TYR 69 HE1 TYR 69 2.501 -5.421 -11.211 558 HE2 TYR 69 HE2 TYR 69 -1.362 -3.945 -12.301 559 HH TYR 69 HH TYR 69 0.732 -3.872 -13.642 560 H PHE 70 H PHE 70 -1.616 -7.043 -5.269 561 HA PHE 70 HA PHE 70 -1.128 -5.259 -2.944 562 HB2 PHE 70 1HB PHE 70 -3.797 -6.190 -4.103 563 HB3 PHE 70 2HB PHE 70 -3.651 -5.581 -2.455 564 HD1 PHE 70 HD2 PHE 70 -3.111 -3.213 -2.023 565 HD2 PHE 70 HD1 PHE 70 -3.587 -4.635 -6.017 566 HE1 PHE 70 HE2 PHE 70 -3.211 -0.902 -2.844 567 HE2 PHE 70 HE1 PHE 70 -3.680 -2.329 -6.826 568 HZ PHE 70 HZ PHE 70 -3.488 -0.458 -5.243 569 H LYS 71 H LYS 71 -0.283 -8.092 -3.771 570 HA LYS 71 HA LYS 71 -1.573 -9.905 -1.967 571 HB2 LYS 71 1HB LYS 71 0.324 -11.464 -2.536 572 HB3 LYS 71 2HB LYS 71 -0.570 -10.851 -3.921 573 HG2 LYS 71 1HG LYS 71 1.214 -9.257 -4.422 574 HG3 LYS 71 2HG LYS 71 2.103 -9.772 -2.987 575 HD2 LYS 71 1HD LYS 71 3.086 -10.777 -4.966 576 HD3 LYS 71 2HD LYS 71 2.355 -12.036 -3.973 577 HE2 LYS 71 1HE LYS 71 0.935 -10.815 -6.365 578 HE3 LYS 71 2HE LYS 71 2.002 -12.204 -6.507 579 HZ1 LYS 71 3HZ LYS 71 -0.507 -12.077 -4.927 580 HZ2 LYS 71 1HZ LYS 71 0.552 -13.395 -4.961 581 HZ3 LYS 71 2HZ LYS 71 -0.257 -12.922 -6.366 582 H ASP 72 H ASP 72 1.494 -8.088 -1.880 583 HA ASP 72 HA ASP 72 1.590 -8.245 1.025 584 HB2 ASP 72 1HB ASP 72 3.723 -9.279 1.225 585 HB3 ASP 72 2HB ASP 72 2.890 -10.281 0.047 586 H LEU 73 H LEU 73 3.681 -6.968 1.717 587 HA LEU 73 HA LEU 73 3.117 -4.297 0.900 588 HB2 LEU 73 1HB LEU 73 3.698 -5.059 3.202 589 HB3 LEU 73 2HB LEU 73 5.331 -5.395 2.657 590 HG LEU 73 HG LEU 73 5.583 -2.929 2.126 591 HD11 LEU 73 1HD1 LEU 73 2.943 -2.676 3.592 592 HD12 LEU 73 2HD1 LEU 73 3.239 -2.323 1.888 593 HD13 LEU 73 3HD1 LEU 73 4.004 -1.341 3.134 594 HD21 LEU 73 3HD2 LEU 73 5.925 -2.254 4.463 595 HD22 LEU 73 1HD2 LEU 73 6.545 -3.874 4.149 596 HD23 LEU 73 2HD2 LEU 73 5.017 -3.665 5.012 597 H ASN 74 H ASN 74 5.717 -6.564 0.028 598 HA ASN 74 HA ASN 74 7.419 -4.637 -1.243 599 HB2 ASN 74 1HB ASN 74 7.169 -7.646 -1.633 600 HB3 ASN 74 2HB ASN 74 8.340 -6.673 -2.505 601 HD21 ASN 74 1HD2 ASN 74 7.557 -8.177 0.499 602 HD22 ASN 74 2HD2 ASN 74 9.040 -7.807 1.313 603 H ALA 75 H ALA 75 4.713 -6.651 -2.363 604 HA ALA 75 HA ALA 75 4.860 -5.975 -5.123 605 HB1 ALA 75 3HB ALA 75 2.474 -6.914 -3.518 606 HB2 ALA 75 1HB ALA 75 3.676 -7.952 -4.286 607 HB3 ALA 75 2HB ALA 75 2.622 -6.940 -5.279 608 H ILE 76 H ILE 76 3.293 -4.485 -2.365 609 HA ILE 76 HA ILE 76 1.684 -2.547 -3.636 610 HB ILE 76 HB ILE 76 3.115 -2.448 -0.940 611 HG12 ILE 76 1HG1 ILE 76 1.522 -4.383 -1.242 612 HG13 ILE 76 2HG1 ILE 76 1.077 -3.295 0.061 613 HG21 ILE 76 1HG2 ILE 76 0.804 -0.732 -1.912 614 HG22 ILE 76 2HG2 ILE 76 2.450 -0.189 -1.578 615 HG23 ILE 76 3HG2 ILE 76 1.431 -0.770 -0.261 616 HD11 ILE 76 3HD1 ILE 76 -0.837 -4.049 -1.188 617 HD12 ILE 76 1HD1 ILE 76 -0.174 -3.368 -2.672 618 HD13 ILE 76 2HD1 ILE 76 -0.641 -2.306 -1.339 619 H SER 77 H SER 77 5.051 -2.442 -2.482 620 HA SER 77 HA SER 77 5.417 0.355 -3.004 621 HB2 SER 77 1HB SER 77 7.818 -0.144 -2.354 622 HB3 SER 77 2HB SER 77 6.619 -0.610 -1.151 623 HG SER 77 HG SER 77 6.981 -2.683 -1.550 624 H ARG 78 H ARG 78 6.362 -2.669 -4.623 625 HA ARG 78 HA ARG 78 8.118 -1.574 -6.521 626 HB2 ARG 78 1HB ARG 78 7.977 -3.660 -7.724 627 HB3 ARG 78 2HB ARG 78 7.893 -4.039 -6.009 628 HG2 ARG 78 1HG ARG 78 5.473 -4.357 -6.161 629 HG3 ARG 78 2HG ARG 78 5.497 -3.902 -7.863 630 HD2 ARG 78 1HD ARG 78 6.830 -5.885 -8.399 631 HD3 ARG 78 2HD ARG 78 6.895 -6.327 -6.685 632 HE ARG 78 HE ARG 78 4.199 -6.071 -7.379 633 HH11 ARG 78 1HH1 ARG 78 6.844 -8.226 -8.231 634 HH12 ARG 78 2HH1 ARG 78 5.799 -9.566 -8.568 635 HH21 ARG 78 1HH2 ARG 78 2.853 -7.866 -7.801 636 HH22 ARG 78 2HH2 ARG 78 3.561 -9.358 -8.322 637 H THR 79 H THR 79 4.613 -1.879 -6.473 638 HA THR 79 HA THR 79 4.335 -1.221 -9.284 639 HB THR 79 HB THR 79 2.839 -2.918 -7.956 640 HG1 THR 79 HG1 THR 79 2.454 -1.396 -10.086 641 HG21 THR 79 3HG2 THR 79 0.790 -2.009 -7.009 642 HG22 THR 79 1HG2 THR 79 1.298 -0.353 -7.356 643 HG23 THR 79 2HG2 THR 79 2.156 -1.312 -6.132 644 H VAL 80 H VAL 80 4.218 0.351 -6.162 645 HA VAL 80 HA VAL 80 2.989 2.780 -6.887 646 HB VAL 80 HB VAL 80 4.891 1.926 -4.697 647 HG11 VAL 80 1HG1 VAL 80 5.092 4.259 -3.789 648 HG12 VAL 80 2HG1 VAL 80 4.417 4.870 -5.300 649 HG13 VAL 80 3HG1 VAL 80 5.971 4.042 -5.308 650 HG21 VAL 80 3HG2 VAL 80 2.425 1.720 -4.500 651 HG22 VAL 80 1HG2 VAL 80 2.283 3.478 -4.685 652 HG23 VAL 80 2HG2 VAL 80 3.090 2.798 -3.261 653 H GLU 81 H GLU 81 6.388 1.729 -7.013 654 HA GLU 81 HA GLU 81 7.513 4.068 -8.061 655 HB2 GLU 81 1HB GLU 81 8.391 1.178 -8.472 656 HB3 GLU 81 2HB GLU 81 9.392 2.587 -8.803 657 HG2 GLU 81 1HG GLU 81 8.370 1.670 -6.107 658 HG3 GLU 81 2HG GLU 81 10.031 1.624 -6.686 659 H GLN 82 H GLN 82 5.951 1.370 -9.652 660 HA GLN 82 HA GLN 82 6.637 2.108 -12.338 661 HB2 GLN 82 1HB GLN 82 6.101 -0.239 -11.473 662 HB3 GLN 82 2HB GLN 82 4.414 0.231 -11.437 663 HG2 GLN 82 1HG GLN 82 6.045 0.334 -13.985 664 HG3 GLN 82 2HG GLN 82 5.246 -1.136 -13.444 665 HE21 GLN 82 1HE2 GLN 82 4.794 0.444 -15.868 666 HE22 GLN 82 2HE2 GLN 82 3.117 0.865 -15.840 667 H LEU 83 H LEU 83 3.702 2.410 -10.349 668 HA LEU 83 HA LEU 83 2.033 3.781 -12.180 669 HB2 LEU 83 1HB LEU 83 2.096 3.704 -9.137 670 HB3 LEU 83 2HB LEU 83 0.851 4.568 -10.021 671 HG LEU 83 HG LEU 83 1.310 1.568 -10.108 672 HD11 LEU 83 1HD1 LEU 83 -0.885 3.188 -8.767 673 HD12 LEU 83 2HD1 LEU 83 0.418 2.318 -7.950 674 HD13 LEU 83 3HD1 LEU 83 -0.799 1.426 -8.856 675 HD21 LEU 83 3HD2 LEU 83 0.446 2.362 -12.245 676 HD22 LEU 83 1HD2 LEU 83 -0.849 3.248 -11.430 677 HD23 LEU 83 2HD2 LEU 83 -0.805 1.484 -11.373 678 H LYS 84 H LYS 84 4.521 4.820 -9.957 679 HA LYS 84 HA LYS 84 3.873 7.585 -9.799 680 HB2 LYS 84 1HB LYS 84 5.265 6.160 -8.185 681 HB3 LYS 84 2HB LYS 84 6.592 6.278 -9.330 682 HG2 LYS 84 1HG LYS 84 6.822 8.633 -8.951 683 HG3 LYS 84 2HG LYS 84 5.274 8.711 -8.101 684 HD2 LYS 84 1HD LYS 84 7.172 8.819 -6.518 685 HD3 LYS 84 2HD LYS 84 6.196 7.377 -6.238 686 HE2 LYS 84 1HE LYS 84 7.873 6.038 -7.511 687 HE3 LYS 84 2HE LYS 84 8.852 7.493 -7.716 688 HZ1 LYS 84 3HZ LYS 84 9.119 7.612 -5.317 689 HZ2 LYS 84 1HZ LYS 84 9.614 6.104 -5.898 690 HZ3 LYS 84 2HZ LYS 84 8.134 6.253 -5.118 691 H ALA 85 H ALA 85 5.929 5.595 -11.848 692 HA ALA 85 HA ALA 85 7.074 7.650 -13.443 693 HB1 ALA 85 3HB ALA 85 7.690 5.823 -14.974 694 HB2 ALA 85 1HB ALA 85 6.628 4.714 -14.099 695 HB3 ALA 85 2HB ALA 85 8.047 5.397 -13.302 696 H GLU 86 H GLU 86 4.256 5.476 -13.935 697 HA GLU 86 HA GLU 86 3.443 6.449 -16.448 698 HB2 GLU 86 1HB GLU 86 1.687 5.258 -14.264 699 HB3 GLU 86 2HB GLU 86 1.225 5.453 -15.955 700 HG2 GLU 86 1HG GLU 86 3.111 3.912 -16.575 701 HG3 GLU 86 2HG GLU 86 3.379 3.636 -14.853 702 H SER 87 H SER 87 2.685 7.549 -13.194 703 HA SER 87 HA SER 87 0.563 9.319 -13.860 704 HB2 SER 87 1HB SER 87 0.997 8.358 -11.559 705 HB3 SER 87 2HB SER 87 2.387 9.438 -11.422 706 HG SER 87 HG SER 87 -0.341 10.172 -11.743 707 H ALA 88 H ALA 88 4.078 9.667 -13.623 708 HA ALA 88 HA ALA 88 4.212 12.496 -14.019 709 HB1 ALA 88 3HB ALA 88 6.306 10.354 -14.534 710 HB2 ALA 88 1HB ALA 88 6.057 11.210 -13.012 711 HB3 ALA 88 2HB ALA 88 6.612 12.092 -14.436 712 H LEU 89 H LEU 89 3.916 9.727 -16.144 713 HA LEU 89 HA LEU 89 4.421 11.230 -18.600 714 HB2 LEU 89 1HB LEU 89 3.464 8.362 -18.201 715 HB3 LEU 89 2HB LEU 89 3.958 9.073 -19.731 716 HG LEU 89 HG LEU 89 5.751 8.547 -17.345 717 HD11 LEU 89 1HD1 LEU 89 6.866 6.908 -18.766 718 HD12 LEU 89 2HD1 LEU 89 5.706 7.217 -20.061 719 HD13 LEU 89 3HD1 LEU 89 5.166 6.508 -18.536 720 HD21 LEU 89 3HD2 LEU 89 6.504 10.586 -18.440 721 HD22 LEU 89 1HD2 LEU 89 6.489 9.787 -20.015 722 HD23 LEU 89 2HD2 LEU 89 7.631 9.276 -18.770 723 H GLU 90 H GLU 90 1.764 10.644 -16.552 724 HA GLU 90 HA GLU 90 -0.348 10.596 -18.497 725 HB2 GLU 90 1HB GLU 90 -0.395 9.663 -16.106 726 HB3 GLU 90 2HB GLU 90 -0.565 11.310 -15.533 727 HG2 GLU 90 1HG GLU 90 -2.523 9.951 -17.410 728 HG3 GLU 90 2HG GLU 90 -2.700 9.967 -15.660 729 H282 PNS 101 2H28 PNS 142 -13.314 -2.191 -6.961 730 H281 PNS 101 3H28 PNS 142 -12.391 -2.022 -5.464 731 H303 PNS 101 2H51 PNS 142 -12.146 -5.712 -4.808 732 H302 PNS 101 3H51 PNS 142 -13.398 -4.655 -4.160 733 H301 PNS 101 1H51 PNS 142 -11.710 -4.123 -4.162 734 H313 PNS 101 2H52 PNS 142 -10.598 -3.519 -6.285 735 H312 PNS 101 3H52 PNS 142 -10.979 -5.112 -6.946 736 H311 PNS 101 1H52 PNS 142 -11.447 -3.665 -7.841 737 H32 PNS 101 H32 PNS 142 -14.701 -4.788 -6.333 738 H33 PNS 101 H33 PNS 142 -14.360 -3.484 -8.120 739 H36 PNS 101 H36 PNS 142 -12.638 -6.050 -8.783 740 H372 PNS 101 2H37 PNS 142 -13.045 -8.505 -9.178 741 H371 PNS 101 3H37 PNS 142 -12.460 -8.737 -7.531 742 H382 PNS 101 2H38 PNS 142 -10.885 -7.586 -9.853 743 H381 PNS 101 3H38 PNS 142 -10.686 -9.186 -9.145 744 H41 PNS 101 H41 PNS 142 -11.015 -8.030 -6.362 745 H422 PNS 101 2H42 PNS 142 -8.234 -7.232 -5.917 746 H421 PNS 101 3H42 PNS 142 -9.492 -6.100 -5.415 747 H431 PNS 101 2H43 PNS 142 -9.222 -8.964 -4.439 748 H432 PNS 101 3H43 PNS 142 -8.797 -7.507 -3.520 749 H44 PNS 101 H44 PNS 142 -11.945 -8.296 -4.649 Start of MODEL 3 1 H1 MET 1 1H MET 1 12.984 8.654 -6.235 2 H2 MET 1 2H MET 1 11.336 8.556 -5.888 3 H3 MET 1 3H MET 1 11.859 8.567 -7.493 4 HA MET 1 HA MET 1 11.200 6.375 -6.810 5 HB2 MET 1 1HB MET 1 13.212 5.152 -7.529 6 HB3 MET 1 2HB MET 1 12.994 6.589 -8.512 7 HG2 MET 1 1HG MET 1 14.995 6.268 -6.257 8 HG3 MET 1 2HG MET 1 15.362 6.264 -7.982 9 HE1 MET 1 3HE MET 1 16.860 9.698 -6.596 10 HE2 MET 1 1HE MET 1 17.261 8.173 -7.383 11 HE3 MET 1 2HE MET 1 16.760 8.188 -5.690 12 H ASP 2 H ASP 2 11.018 4.924 -5.200 13 HA ASP 2 HA ASP 2 12.940 4.395 -3.190 14 HB2 ASP 2 1HB ASP 2 11.566 5.141 -1.198 15 HB3 ASP 2 2HB ASP 2 12.286 6.448 -2.121 16 H GLY 3 H GLY 3 12.645 2.383 -2.508 17 HA2 GLY 3 1HA GLY 3 10.114 0.973 -3.048 18 HA3 GLY 3 2HA GLY 3 11.699 0.237 -2.860 19 H GLU 4 H GLU 4 12.656 1.232 -0.518 20 HA GLU 4 HA GLU 4 11.088 -0.266 1.408 21 HB2 GLU 4 1HB GLU 4 12.953 0.015 2.927 22 HB3 GLU 4 2HB GLU 4 13.591 -0.385 1.340 23 HG2 GLU 4 1HG GLU 4 14.085 2.033 0.977 24 HG3 GLU 4 2HG GLU 4 13.548 2.361 2.621 25 H GLU 5 H GLU 5 11.630 3.116 0.660 26 HA GLU 5 HA GLU 5 10.763 4.160 3.200 27 HB2 GLU 5 1HB GLU 5 11.144 5.514 0.504 28 HB3 GLU 5 2HB GLU 5 10.868 6.367 2.021 29 HG2 GLU 5 1HG GLU 5 12.986 5.662 2.912 30 HG3 GLU 5 2HG GLU 5 13.236 4.512 1.596 31 H VAL 6 H VAL 6 9.187 3.638 0.032 32 HA VAL 6 HA VAL 6 6.637 4.673 0.841 33 HB VAL 6 HB VAL 6 7.043 4.520 -1.535 34 HG11 VAL 6 1HG1 VAL 6 8.651 2.678 -1.599 35 HG12 VAL 6 2HG1 VAL 6 7.351 2.411 -2.763 36 HG13 VAL 6 3HG1 VAL 6 7.367 1.522 -1.237 37 HG21 VAL 6 3HG2 VAL 6 5.064 3.299 -2.343 38 HG22 VAL 6 1HG2 VAL 6 4.704 4.174 -0.854 39 HG23 VAL 6 2HG2 VAL 6 4.965 2.431 -0.811 40 H LYS 7 H LYS 7 8.170 1.459 0.990 41 HA LYS 7 HA LYS 7 5.922 -0.046 1.728 42 HB2 LYS 7 1HB LYS 7 8.889 -0.499 2.025 43 HB3 LYS 7 2HB LYS 7 7.783 -1.602 2.841 44 HG2 LYS 7 1HG LYS 7 6.675 -2.002 0.627 45 HG3 LYS 7 2HG LYS 7 7.937 -1.042 -0.130 46 HD2 LYS 7 1HD LYS 7 8.424 -3.594 1.450 47 HD3 LYS 7 2HD LYS 7 8.302 -3.508 -0.306 48 HE2 LYS 7 1HE LYS 7 10.271 -1.991 -0.354 49 HE3 LYS 7 2HE LYS 7 10.401 -2.141 1.404 50 HZ1 LYS 7 3HZ LYS 7 10.672 -4.556 1.069 51 HZ2 LYS 7 1HZ LYS 7 11.920 -3.627 0.407 52 HZ3 LYS 7 2HZ LYS 7 10.751 -4.285 -0.608 53 H GLU 8 H GLU 8 8.339 1.582 3.822 54 HA GLU 8 HA GLU 8 7.203 0.648 6.258 55 HB2 GLU 8 1HB GLU 8 8.617 2.403 7.357 56 HB3 GLU 8 2HB GLU 8 9.506 1.367 6.261 57 HG2 GLU 8 1HG GLU 8 10.422 3.424 5.780 58 HG3 GLU 8 2HG GLU 8 9.172 3.308 4.545 59 H LYS 9 H LYS 9 6.605 3.584 4.331 60 HA LYS 9 HA LYS 9 4.975 4.998 6.136 61 HB2 LYS 9 1HB LYS 9 5.088 4.990 3.104 62 HB3 LYS 9 2HB LYS 9 3.995 6.060 3.982 63 HG2 LYS 9 1HG LYS 9 5.868 7.147 5.074 64 HG3 LYS 9 2HG LYS 9 7.003 6.019 4.319 65 HD2 LYS 9 1HD LYS 9 6.329 6.875 2.081 66 HD3 LYS 9 2HD LYS 9 5.250 8.038 2.865 67 HE2 LYS 9 1HE LYS 9 7.406 9.070 2.209 68 HE3 LYS 9 2HE LYS 9 7.171 9.104 3.962 69 HZ1 LYS 9 3HZ LYS 9 8.848 7.158 2.465 70 HZ2 LYS 9 1HZ LYS 9 8.592 7.138 4.134 71 HZ3 LYS 9 2HZ LYS 9 9.409 8.432 3.419 72 H ILE 10 H ILE 10 4.132 2.688 3.595 73 HA ILE 10 HA ILE 10 1.303 2.918 3.961 74 HB ILE 10 HB ILE 10 2.962 0.850 2.464 75 HG12 ILE 10 1HG1 ILE 10 1.395 3.265 1.467 76 HG13 ILE 10 2HG1 ILE 10 3.147 3.179 1.609 77 HG21 ILE 10 1HG2 ILE 10 -0.053 1.262 2.330 78 HG22 ILE 10 2HG2 ILE 10 0.769 -0.137 3.024 79 HG23 ILE 10 3HG2 ILE 10 0.884 0.180 1.295 80 HD11 ILE 10 3HD1 ILE 10 3.187 1.415 -0.083 81 HD12 ILE 10 1HD1 ILE 10 2.445 2.900 -0.674 82 HD13 ILE 10 2HD1 ILE 10 1.429 1.528 -0.234 83 H ARG 11 H ARG 11 3.798 0.576 4.966 84 HA ARG 11 HA ARG 11 2.069 -1.321 6.155 85 HB2 ARG 11 1HB ARG 11 3.978 -2.521 6.486 86 HB3 ARG 11 2HB ARG 11 4.749 -1.266 5.566 87 HG2 ARG 11 1HG ARG 11 6.231 -1.443 7.305 88 HG3 ARG 11 2HG ARG 11 5.182 -0.171 7.940 89 HD2 ARG 11 1HD ARG 11 3.958 -1.837 9.268 90 HD3 ARG 11 2HD ARG 11 4.912 -3.136 8.559 91 HE ARG 11 HE ARG 11 6.797 -2.428 9.827 92 HH11 ARG 11 1HH1 ARG 11 3.891 -0.650 10.602 93 HH12 ARG 11 2HH1 ARG 11 4.470 -0.123 12.151 94 HH21 ARG 11 1HH2 ARG 11 7.488 -1.872 11.946 95 HH22 ARG 11 2HH2 ARG 11 6.502 -0.817 12.909 96 H ARG 12 H ARG 12 3.456 1.647 7.326 97 HA ARG 12 HA ARG 12 2.660 1.408 10.035 98 HB2 ARG 12 1HB ARG 12 3.781 3.543 8.301 99 HB3 ARG 12 2HB ARG 12 2.694 4.173 9.524 100 HG2 ARG 12 1HG ARG 12 4.956 4.287 10.325 101 HG3 ARG 12 2HG ARG 12 4.067 3.102 11.278 102 HD2 ARG 12 1HD ARG 12 5.165 1.287 10.057 103 HD3 ARG 12 2HD ARG 12 5.993 2.463 9.028 104 HE ARG 12 HE ARG 12 6.511 1.970 11.892 105 HH11 ARG 12 1HH1 ARG 12 7.483 3.640 8.929 106 HH12 ARG 12 2HH1 ARG 12 9.020 4.120 9.567 107 HH21 ARG 12 1HH2 ARG 12 8.545 2.663 12.720 108 HH22 ARG 12 2HH2 ARG 12 9.623 3.573 11.706 109 H TYR 13 H TYR 13 1.168 2.971 7.191 110 HA TYR 13 HA TYR 13 -1.045 4.085 8.565 111 HB2 TYR 13 1HB TYR 13 -0.161 4.871 6.360 112 HB3 TYR 13 2HB TYR 13 -0.812 3.410 5.610 113 HD1 TYR 13 HD1 TYR 13 -1.949 6.271 7.778 114 HD2 TYR 13 HD2 TYR 13 -2.978 3.556 4.642 115 HE1 TYR 13 HE1 TYR 13 -4.076 7.428 7.481 116 HE2 TYR 13 HE2 TYR 13 -5.114 4.713 4.356 117 HH TYR 13 HH TYR 13 -6.639 6.129 5.724 118 H ILE 14 H ILE 14 -0.590 0.939 6.999 119 HA ILE 14 HA ILE 14 -3.291 0.109 6.936 120 HB ILE 14 HB ILE 14 -0.810 -1.617 7.294 121 HG12 ILE 14 1HG1 ILE 14 -2.238 -1.241 4.657 122 HG13 ILE 14 2HG1 ILE 14 -1.020 -0.087 5.173 123 HG21 ILE 14 1HG2 ILE 14 -2.162 -3.483 6.387 124 HG22 ILE 14 2HG2 ILE 14 -3.585 -2.442 6.360 125 HG23 ILE 14 3HG2 ILE 14 -2.836 -2.871 7.899 126 HD11 ILE 14 3HD1 ILE 14 0.628 -1.846 5.295 127 HD12 ILE 14 1HD1 ILE 14 -0.094 -1.746 3.687 128 HD13 ILE 14 2HD1 ILE 14 -0.582 -3.037 4.789 129 H MET 15 H MET 15 -0.834 0.144 9.453 130 HA MET 15 HA MET 15 -2.338 -1.413 11.376 131 HB2 MET 15 1HB MET 15 0.186 0.263 11.651 132 HB3 MET 15 2HB MET 15 -0.443 -0.820 12.888 133 HG2 MET 15 1HG MET 15 -0.055 -2.748 11.495 134 HG3 MET 15 2HG MET 15 0.361 -1.717 10.126 135 HE1 MET 15 3HE MET 15 3.036 -1.654 13.867 136 HE2 MET 15 1HE MET 15 1.442 -2.402 13.882 137 HE3 MET 15 2HE MET 15 1.598 -0.653 13.675 138 H GLU 16 H GLU 16 -2.071 1.953 10.544 139 HA GLU 16 HA GLU 16 -3.088 2.994 13.055 140 HB2 GLU 16 1HB GLU 16 -2.642 4.385 10.385 141 HB3 GLU 16 2HB GLU 16 -2.984 5.194 11.909 142 HG2 GLU 16 1HG GLU 16 -0.500 3.599 11.221 143 HG3 GLU 16 2HG GLU 16 -0.612 5.354 11.389 144 H ASP 17 H ASP 17 -4.228 3.022 9.700 145 HA ASP 17 HA ASP 17 -6.881 3.938 10.451 146 HB2 ASP 17 1HB ASP 17 -5.637 5.061 8.642 147 HB3 ASP 17 2HB ASP 17 -5.578 3.554 7.733 148 H LEU 18 H LEU 18 -5.486 1.296 8.490 149 HA LEU 18 HA LEU 18 -8.007 0.149 7.777 150 HB2 LEU 18 1HB LEU 18 -5.147 -0.823 7.471 151 HB3 LEU 18 2HB LEU 18 -6.521 -1.756 6.904 152 HG LEU 18 HG LEU 18 -7.098 0.046 5.300 153 HD11 LEU 18 1HD1 LEU 18 -6.254 2.033 6.424 154 HD12 LEU 18 2HD1 LEU 18 -5.586 1.907 4.798 155 HD13 LEU 18 3HD1 LEU 18 -4.593 1.480 6.198 156 HD21 LEU 18 3HD2 LEU 18 -4.230 -0.877 5.055 157 HD22 LEU 18 1HD2 LEU 18 -5.278 -0.341 3.740 158 HD23 LEU 18 2HD2 LEU 18 -5.664 -1.814 4.621 159 H ILE 19 H ILE 19 -5.483 -0.716 10.108 160 HA ILE 19 HA ILE 19 -7.276 -2.702 11.404 161 HB ILE 19 HB ILE 19 -4.232 -2.634 11.699 162 HG12 ILE 19 1HG1 ILE 19 -5.719 -4.440 9.742 163 HG13 ILE 19 2HG1 ILE 19 -4.835 -2.997 9.258 164 HG21 ILE 19 1HG2 ILE 19 -5.461 -3.879 13.438 165 HG22 ILE 19 2HG2 ILE 19 -4.484 -4.971 12.456 166 HG23 ILE 19 3HG2 ILE 19 -6.228 -4.875 12.198 167 HD11 ILE 19 3HD1 ILE 19 -3.518 -4.999 8.885 168 HD12 ILE 19 1HD1 ILE 19 -3.631 -5.423 10.595 169 HD13 ILE 19 2HD1 ILE 19 -2.760 -3.969 10.097 170 H GLY 20 H GLY 20 -6.942 -2.769 13.825 171 HA2 GLY 20 1HA GLY 20 -6.041 -0.186 14.956 172 HA3 GLY 20 2HA GLY 20 -7.503 -0.979 15.494 173 HA PRO 21 HA PRO 21 -4.851 -2.728 18.598 174 HB2 PRO 21 1HB PRO 21 -6.566 -4.403 19.860 175 HB3 PRO 21 2HB PRO 21 -6.822 -2.645 19.859 176 HG2 PRO 21 1HG PRO 21 -8.186 -4.735 18.201 177 HG3 PRO 21 2HG PRO 21 -8.874 -3.297 18.983 178 HD2 PRO 21 1HD PRO 21 -8.169 -3.441 16.284 179 HD3 PRO 21 2HD PRO 21 -8.347 -1.927 17.195 180 H SER 22 H SER 22 -5.928 -4.609 15.991 181 HA SER 22 HA SER 22 -4.452 -7.045 16.764 182 HB2 SER 22 1HB SER 22 -6.754 -7.166 15.688 183 HB3 SER 22 2HB SER 22 -6.053 -6.492 14.217 184 HG SER 22 HG SER 22 -4.495 -8.435 14.647 185 H ALA 23 H ALA 23 -3.069 -4.511 16.319 186 HA ALA 23 HA ALA 23 -1.236 -5.278 14.158 187 HB1 ALA 23 3HB ALA 23 -2.771 -3.688 13.099 188 HB2 ALA 23 1HB ALA 23 -1.179 -2.963 13.296 189 HB3 ALA 23 2HB ALA 23 -2.495 -2.511 14.386 190 H LYS 24 H LYS 24 -0.133 -5.929 16.117 191 HA LYS 24 HA LYS 24 1.003 -4.205 18.005 192 HB2 LYS 24 1HB LYS 24 0.968 -6.637 18.212 193 HB3 LYS 24 2HB LYS 24 2.028 -6.793 16.814 194 HG2 LYS 24 1HG LYS 24 3.857 -5.743 18.051 195 HG3 LYS 24 2HG LYS 24 2.789 -5.498 19.441 196 HD2 LYS 24 1HD LYS 24 2.523 -7.903 19.719 197 HD3 LYS 24 2HD LYS 24 3.495 -8.217 18.277 198 HE2 LYS 24 1HE LYS 24 5.451 -7.212 19.392 199 HE3 LYS 24 2HE LYS 24 4.478 -6.892 20.826 200 HZ1 LYS 24 3HZ LYS 24 5.851 -8.893 21.006 201 HZ2 LYS 24 1HZ LYS 24 5.011 -9.585 19.711 202 HZ3 LYS 24 2HZ LYS 24 4.201 -9.230 21.151 203 H GLU 25 H GLU 25 3.340 -3.518 18.096 204 HA GLU 25 HA GLU 25 3.845 -1.513 16.345 205 HB2 GLU 25 1HB GLU 25 5.940 -3.137 17.831 206 HB3 GLU 25 2HB GLU 25 6.183 -1.508 17.198 207 HG2 GLU 25 1HG GLU 25 4.445 -0.647 18.722 208 HG3 GLU 25 2HG GLU 25 4.179 -2.279 19.337 209 H ASP 26 H ASP 26 4.994 -4.852 15.895 210 HA ASP 26 HA ASP 26 5.646 -4.249 13.098 211 HB2 ASP 26 1HB ASP 26 7.561 -5.566 15.060 212 HB3 ASP 26 2HB ASP 26 7.733 -5.766 13.322 213 H GLU 27 H GLU 27 3.335 -5.468 14.055 214 HA GLU 27 HA GLU 27 3.415 -8.287 13.613 215 HB2 GLU 27 1HB GLU 27 1.266 -6.239 13.936 216 HB3 GLU 27 2HB GLU 27 0.827 -7.532 12.820 217 HG2 GLU 27 1HG GLU 27 1.729 -7.878 15.675 218 HG3 GLU 27 2HG GLU 27 0.075 -8.001 15.095 219 H LEU 28 H LEU 28 2.770 -5.457 11.584 220 HA LEU 28 HA LEU 28 2.719 -6.942 9.138 221 HB2 LEU 28 1HB LEU 28 2.446 -4.109 9.900 222 HB3 LEU 28 2HB LEU 28 3.264 -4.331 8.368 223 HG LEU 28 HG LEU 28 1.320 -5.605 7.491 224 HD11 LEU 28 1HD1 LEU 28 0.446 -6.584 9.561 225 HD12 LEU 28 2HD1 LEU 28 -0.813 -5.689 8.710 226 HD13 LEU 28 3HD1 LEU 28 -0.035 -4.984 10.130 227 HD21 LEU 28 3HD2 LEU 28 0.614 -2.912 8.606 228 HD22 LEU 28 1HD2 LEU 28 -0.168 -3.725 7.250 229 HD23 LEU 28 2HD2 LEU 28 1.518 -3.234 7.125 230 H ASP 29 H ASP 29 4.281 -7.216 7.686 231 HA ASP 29 HA ASP 29 7.099 -6.596 8.351 232 HB2 ASP 29 1HB ASP 29 6.703 -8.872 9.088 233 HB3 ASP 29 2HB ASP 29 5.845 -9.283 7.624 234 H ASP 30 H ASP 30 8.461 -7.116 6.448 235 HA ASP 30 HA ASP 30 7.821 -5.399 4.336 236 HB2 ASP 30 1HB ASP 30 10.139 -6.018 5.191 237 HB3 ASP 30 2HB ASP 30 9.971 -7.565 4.406 238 H GLN 31 H GLN 31 7.504 -8.886 4.675 239 HA GLN 31 HA GLN 31 6.583 -9.146 1.861 240 HB2 GLN 31 1HB GLN 31 8.040 -11.186 3.607 241 HB3 GLN 31 2HB GLN 31 7.405 -11.532 2.001 242 HG2 GLN 31 1HG GLN 31 8.941 -9.872 1.026 243 HG3 GLN 31 2HG GLN 31 9.577 -9.508 2.633 244 HE21 GLN 31 1HE2 GLN 31 10.908 -11.062 3.662 245 HE22 GLN 31 2HE2 GLN 31 11.652 -12.345 2.778 246 H THR 32 H THR 32 5.307 -8.736 4.748 247 HA THR 32 HA THR 32 3.641 -10.847 5.362 248 HB THR 32 HB THR 32 3.359 -7.885 5.734 249 HG1 THR 32 HG1 THR 32 3.689 -10.123 7.444 250 HG21 THR 32 3HG2 THR 32 1.266 -9.892 6.633 251 HG22 THR 32 1HG2 THR 32 1.022 -8.611 5.447 252 HG23 THR 32 2HG2 THR 32 1.346 -8.199 7.129 253 HA PRO 33 HA PRO 33 0.986 -11.007 1.643 254 HB2 PRO 33 1HB PRO 33 -0.517 -13.154 2.520 255 HB3 PRO 33 2HB PRO 33 1.090 -13.337 1.797 256 HG2 PRO 33 1HG PRO 33 0.318 -13.347 4.688 257 HG3 PRO 33 2HG PRO 33 1.478 -14.389 3.839 258 HD2 PRO 33 1HD PRO 33 2.276 -12.272 5.343 259 HD3 PRO 33 2HD PRO 33 3.168 -12.783 3.889 260 H LEU 34 H LEU 34 -0.118 -9.068 1.971 261 HA LEU 34 HA LEU 34 -1.696 -8.388 4.195 262 HB2 LEU 34 1HB LEU 34 -1.773 -7.208 1.396 263 HB3 LEU 34 2HB LEU 34 -2.354 -6.424 2.855 264 HG LEU 34 HG LEU 34 0.563 -7.087 2.249 265 HD11 LEU 34 1HD1 LEU 34 0.917 -4.686 2.032 266 HD12 LEU 34 2HD1 LEU 34 -0.807 -4.387 2.273 267 HD13 LEU 34 3HD1 LEU 34 -0.250 -5.267 0.846 268 HD21 LEU 34 3HD2 LEU 34 -0.577 -5.582 4.622 269 HD22 LEU 34 1HD2 LEU 34 1.136 -5.792 4.247 270 HD23 LEU 34 2HD2 LEU 34 0.149 -7.192 4.654 271 H LEU 35 H LEU 35 -2.549 -9.981 1.154 272 HA LEU 35 HA LEU 35 -5.410 -9.784 1.471 273 HB2 LEU 35 1HB LEU 35 -3.818 -11.713 -0.237 274 HB3 LEU 35 2HB LEU 35 -5.542 -11.392 -0.379 275 HG LEU 35 HG LEU 35 -3.275 -9.480 -1.017 276 HD11 LEU 35 1HD1 LEU 35 -4.096 -9.618 -3.295 277 HD12 LEU 35 2HD1 LEU 35 -5.345 -10.766 -2.807 278 HD13 LEU 35 3HD1 LEU 35 -3.636 -11.207 -2.692 279 HD21 LEU 35 3HD2 LEU 35 -6.263 -8.923 -1.108 280 HD22 LEU 35 1HD2 LEU 35 -4.994 -7.866 -1.735 281 HD23 LEU 35 2HD2 LEU 35 -5.091 -8.189 -0.008 282 H GLU 36 H GLU 36 -2.950 -12.135 2.348 283 HA GLU 36 HA GLU 36 -4.605 -14.316 3.086 284 HB2 GLU 36 1HB GLU 36 -2.109 -14.379 2.677 285 HB3 GLU 36 2HB GLU 36 -1.880 -13.539 4.203 286 HG2 GLU 36 1HG GLU 36 -1.423 -15.882 4.475 287 HG3 GLU 36 2HG GLU 36 -2.872 -15.462 5.390 288 H TRP 37 H TRP 37 -3.297 -11.520 4.794 289 HA TRP 37 HA TRP 37 -4.558 -12.013 7.321 290 HB2 TRP 37 1HB TRP 37 -3.411 -9.484 6.063 291 HB3 TRP 37 2HB TRP 37 -4.049 -9.537 7.703 292 HD1 TRP 37 HD1 TRP 37 -1.599 -12.027 5.953 293 HE1 TRP 37 HE1 TRP 37 0.515 -12.210 7.384 294 HE3 TRP 37 HE3 TRP 37 -2.809 -8.625 9.579 295 HZ2 TRP 37 HZ2 TRP 37 1.541 -11.071 9.752 296 HZ3 TRP 37 HZ3 TRP 37 -1.191 -8.228 11.401 297 HH2 TRP 37 HH2 TRP 37 0.938 -9.429 11.484 298 H GLY 38 H GLY 38 -5.640 -10.623 4.302 299 HA2 GLY 38 1HA GLY 38 -7.767 -10.142 3.559 300 HA3 GLY 38 2HA GLY 38 -8.394 -10.687 5.108 301 H ILE 39 H ILE 39 -5.963 -8.235 4.934 302 HA ILE 39 HA ILE 39 -7.701 -6.368 6.344 303 HB ILE 39 HB ILE 39 -5.608 -5.081 6.758 304 HG12 ILE 39 1HG1 ILE 39 -4.325 -7.287 5.081 305 HG13 ILE 39 2HG1 ILE 39 -4.288 -5.560 4.771 306 HG21 ILE 39 1HG2 ILE 39 -5.452 -8.038 7.486 307 HG22 ILE 39 2HG2 ILE 39 -6.343 -6.791 8.361 308 HG23 ILE 39 3HG2 ILE 39 -4.583 -6.733 8.299 309 HD11 ILE 39 3HD1 ILE 39 -2.154 -6.313 5.555 310 HD12 ILE 39 1HD1 ILE 39 -2.880 -7.017 6.999 311 HD13 ILE 39 2HD1 ILE 39 -2.877 -5.266 6.774 312 H LEU 40 H LEU 40 -6.774 -6.928 3.123 313 HA LEU 40 HA LEU 40 -7.258 -4.125 2.318 314 HB2 LEU 40 1HB LEU 40 -5.933 -6.341 0.721 315 HB3 LEU 40 2HB LEU 40 -6.215 -4.704 0.150 316 HG LEU 40 HG LEU 40 -4.274 -5.590 2.314 317 HD11 LEU 40 1HD1 LEU 40 -3.462 -5.848 0.044 318 HD12 LEU 40 2HD1 LEU 40 -2.599 -4.547 0.857 319 HD13 LEU 40 3HD1 LEU 40 -3.852 -4.164 -0.327 320 HD21 LEU 40 3HD2 LEU 40 -3.699 -3.204 2.643 321 HD22 LEU 40 1HD2 LEU 40 -5.353 -3.559 3.135 322 HD23 LEU 40 2HD2 LEU 40 -5.048 -2.732 1.603 323 H ASN 41 H ASN 41 -9.428 -4.103 2.329 324 HA ASN 41 HA ASN 41 -10.769 -5.418 0.046 325 HB2 ASN 41 1HB ASN 41 -12.003 -4.674 2.744 326 HB3 ASN 41 2HB ASN 41 -12.899 -5.278 1.359 327 HD21 ASN 41 1HD2 ASN 41 -12.677 -7.468 0.771 328 HD22 ASN 41 2HD2 ASN 41 -12.053 -8.644 1.867 329 H SER 42 H SER 42 -12.900 -3.968 -0.388 330 HA SER 42 HA SER 42 -11.658 -1.729 -1.640 331 HB2 SER 42 2HB SER 42 -13.626 -3.358 -2.444 332 HB3 SER 42 1HB SER 42 -14.637 -2.057 -1.822 333 H MET 43 H MET 43 -13.383 -1.947 1.339 334 HA MET 43 HA MET 43 -14.339 0.780 1.378 335 HB2 MET 43 1HB MET 43 -13.964 -1.151 3.702 336 HB3 MET 43 2HB MET 43 -14.811 0.385 3.779 337 HG2 MET 43 1HG MET 43 -15.694 -1.930 2.034 338 HG3 MET 43 2HG MET 43 -16.307 -1.618 3.654 339 HE1 MET 43 3HE MET 43 -17.499 0.670 -0.180 340 HE2 MET 43 1HE MET 43 -16.758 -0.926 -0.101 341 HE3 MET 43 2HE MET 43 -15.780 0.517 0.182 342 H ASN 44 H ASN 44 -11.570 -0.977 2.792 343 HA ASN 44 HA ASN 44 -10.386 1.459 3.857 344 HB2 ASN 44 1HB ASN 44 -8.615 0.043 4.746 345 HB3 ASN 44 2HB ASN 44 -10.183 -0.650 5.125 346 HD21 ASN 44 1HD2 ASN 44 -7.343 -0.967 3.042 347 HD22 ASN 44 2HD2 ASN 44 -7.603 -2.633 2.686 348 H ILE 45 H ILE 45 -10.296 -0.172 0.860 349 HA ILE 45 HA ILE 45 -7.647 0.123 -0.011 350 HB ILE 45 HB ILE 45 -9.742 -1.101 -1.116 351 HG12 ILE 45 1HG1 ILE 45 -8.532 -1.096 -3.367 352 HG13 ILE 45 2HG1 ILE 45 -7.448 0.110 -2.687 353 HG21 ILE 45 1HG2 ILE 45 -10.693 0.016 -3.100 354 HG22 ILE 45 2HG2 ILE 45 -9.802 1.493 -2.711 355 HG23 ILE 45 3HG2 ILE 45 -11.070 0.926 -1.630 356 HD11 ILE 45 3HD1 ILE 45 -6.728 -1.486 -0.986 357 HD12 ILE 45 1HD1 ILE 45 -6.498 -2.126 -2.613 358 HD13 ILE 45 2HD1 ILE 45 -7.851 -2.688 -1.633 359 H VAL 46 H VAL 46 -10.315 2.355 0.081 360 HA VAL 46 HA VAL 46 -9.411 4.287 -1.777 361 HB VAL 46 HB VAL 46 -11.386 4.595 0.525 362 HG11 VAL 46 1HG1 VAL 46 -10.983 6.305 -1.950 363 HG12 VAL 46 2HG1 VAL 46 -10.669 6.783 -0.274 364 HG13 VAL 46 3HG1 VAL 46 -12.323 6.478 -0.814 365 HG21 VAL 46 3HG2 VAL 46 -13.152 4.091 -1.152 366 HG22 VAL 46 1HG2 VAL 46 -12.021 2.743 -0.990 367 HG23 VAL 46 2HG2 VAL 46 -11.911 3.823 -2.380 368 H LYS 47 H LYS 47 -9.106 3.931 1.722 369 HA LYS 47 HA LYS 47 -7.900 6.446 2.193 370 HB2 LYS 47 1HB LYS 47 -8.180 3.965 3.884 371 HB3 LYS 47 2HB LYS 47 -7.274 5.364 4.448 372 HG2 LYS 47 1HG LYS 47 -9.305 5.911 5.356 373 HG3 LYS 47 2HG LYS 47 -9.527 6.648 3.767 374 HD2 LYS 47 1HD LYS 47 -11.542 5.490 4.207 375 HD3 LYS 47 2HD LYS 47 -10.677 4.456 3.075 376 HE2 LYS 47 1HE LYS 47 -10.073 2.925 4.814 377 HE3 LYS 47 2HE LYS 47 -10.586 4.049 6.074 378 HZ1 LYS 47 3HZ LYS 47 -12.409 2.789 4.102 379 HZ2 LYS 47 1HZ LYS 47 -12.847 3.771 5.401 380 HZ3 LYS 47 2HZ LYS 47 -12.172 2.256 5.687 381 H LEU 48 H LEU 48 -6.596 3.275 1.328 382 HA LEU 48 HA LEU 48 -3.866 3.978 1.696 383 HB2 LEU 48 1HB LEU 48 -5.220 1.881 -0.023 384 HB3 LEU 48 2HB LEU 48 -3.486 2.149 -0.122 385 HG LEU 48 HG LEU 48 -5.024 1.245 2.337 386 HD11 LEU 48 1HD1 LEU 48 -4.797 -0.521 0.654 387 HD12 LEU 48 2HD1 LEU 48 -3.802 -0.861 2.067 388 HD13 LEU 48 3HD1 LEU 48 -3.050 -0.258 0.589 389 HD21 LEU 48 3HD2 LEU 48 -2.838 1.002 3.442 390 HD22 LEU 48 1HD2 LEU 48 -3.155 2.683 3.013 391 HD23 LEU 48 2HD2 LEU 48 -2.038 1.722 2.042 392 H MET 49 H MET 49 -6.052 4.177 -1.162 393 HA MET 49 HA MET 49 -4.245 5.070 -3.077 394 HB2 MET 49 1HB MET 49 -7.142 5.939 -2.735 395 HB3 MET 49 2HB MET 49 -6.192 6.191 -4.195 396 HG2 MET 49 1HG MET 49 -6.053 3.776 -4.544 397 HG3 MET 49 2HG MET 49 -6.955 3.498 -3.045 398 HE1 MET 49 3HE MET 49 -9.806 2.633 -5.509 399 HE2 MET 49 1HE MET 49 -8.876 2.155 -4.089 400 HE3 MET 49 2HE MET 49 -8.109 2.180 -5.680 401 H VAL 50 H VAL 50 -6.191 7.019 -0.859 402 HA VAL 50 HA VAL 50 -5.269 9.565 -1.776 403 HB VAL 50 HB VAL 50 -6.427 10.570 0.128 404 HG11 VAL 50 1HG1 VAL 50 -8.729 9.755 -0.287 405 HG12 VAL 50 2HG1 VAL 50 -8.081 8.311 -1.067 406 HG13 VAL 50 3HG1 VAL 50 -7.813 9.899 -1.790 407 HG21 VAL 50 3HG2 VAL 50 -6.854 7.758 1.211 408 HG22 VAL 50 1HG2 VAL 50 -7.536 9.236 1.897 409 HG23 VAL 50 2HG2 VAL 50 -5.789 8.976 1.908 410 H TYR 51 H TYR 51 -4.203 7.359 0.787 411 HA TYR 51 HA TYR 51 -2.517 9.096 2.230 412 HB2 TYR 51 1HB TYR 51 -3.194 6.888 3.101 413 HB3 TYR 51 2HB TYR 51 -2.312 6.085 1.815 414 HD1 TYR 51 HD1 TYR 51 -1.780 8.458 4.679 415 HD2 TYR 51 HD2 TYR 51 -0.040 5.419 2.206 416 HE1 TYR 51 HE1 TYR 51 0.238 8.463 6.085 417 HE2 TYR 51 HE2 TYR 51 1.968 5.422 3.610 418 HH TYR 51 HH TYR 51 3.127 7.116 5.143 419 H ILE 52 H ILE 52 -1.814 6.750 -0.290 420 HA ILE 52 HA ILE 52 0.979 7.286 -0.542 421 HB ILE 52 HB ILE 52 -0.958 5.853 -2.410 422 HG12 ILE 52 1HG1 ILE 52 0.837 4.447 -0.422 423 HG13 ILE 52 2HG1 ILE 52 -0.690 5.114 0.134 424 HG21 ILE 52 1HG2 ILE 52 1.011 4.614 -3.252 425 HG22 ILE 52 2HG2 ILE 52 2.062 5.605 -2.239 426 HG23 ILE 52 3HG2 ILE 52 1.158 6.349 -3.559 427 HD11 ILE 52 3HD1 ILE 52 -0.853 2.762 -0.393 428 HD12 ILE 52 1HD1 ILE 52 -0.374 3.087 -2.062 429 HD13 ILE 52 2HD1 ILE 52 -1.893 3.747 -1.429 430 H ARG 53 H ARG 53 -1.926 8.515 -2.076 431 HA ARG 53 HA ARG 53 -0.838 9.954 -4.248 432 HB2 ARG 53 1HB ARG 53 -3.274 9.486 -3.892 433 HB3 ARG 53 2HB ARG 53 -3.282 10.648 -2.574 434 HG2 ARG 53 1HG ARG 53 -2.458 12.357 -4.389 435 HG3 ARG 53 2HG ARG 53 -3.035 11.148 -5.540 436 HD2 ARG 53 1HD ARG 53 -4.784 12.808 -5.125 437 HD3 ARG 53 2HD ARG 53 -5.284 11.239 -4.468 438 HE ARG 53 HE ARG 53 -3.939 13.058 -2.616 439 HH11 ARG 53 1HH1 ARG 53 -7.075 11.870 -3.708 440 HH12 ARG 53 2HH1 ARG 53 -7.896 12.394 -2.270 441 HH21 ARG 53 1HH2 ARG 53 -4.990 13.700 -0.773 442 HH22 ARG 53 2HH2 ARG 53 -6.701 13.437 -0.599 443 H ASP 54 H ASP 54 -1.252 10.821 -0.814 444 HA ASP 54 HA ASP 54 -0.370 13.576 -1.230 445 HB2 ASP 54 1HB ASP 54 -1.027 12.090 1.353 446 HB3 ASP 54 2HB ASP 54 -0.730 13.821 1.215 447 H GLU 55 H GLU 55 0.913 10.577 0.105 448 HA GLU 55 HA GLU 55 3.326 11.766 1.198 449 HB2 GLU 55 1HB GLU 55 2.416 8.882 0.834 450 HB3 GLU 55 2HB GLU 55 3.935 9.319 1.597 451 HG2 GLU 55 1HG GLU 55 1.271 10.287 2.654 452 HG3 GLU 55 2HG GLU 55 1.966 8.737 3.118 453 H MET 56 H MET 56 2.797 9.171 -1.206 454 HA MET 56 HA MET 56 5.445 9.468 -2.318 455 HB2 MET 56 1HB MET 56 3.220 7.479 -2.586 456 HB3 MET 56 2HB MET 56 4.355 7.575 -3.925 457 HG2 MET 56 1HG MET 56 4.940 5.822 -2.320 458 HG3 MET 56 2HG MET 56 6.198 7.044 -2.469 459 HE1 MET 56 3HE MET 56 3.430 6.559 1.193 460 HE2 MET 56 1HE MET 56 3.459 5.435 -0.172 461 HE3 MET 56 2HE MET 56 2.834 7.074 -0.385 462 H GLY 57 H GLY 57 2.316 10.713 -3.054 463 HA2 GLY 57 1HA GLY 57 1.569 12.081 -4.759 464 HA3 GLY 57 2HA GLY 57 3.167 12.020 -5.489 465 H VAL 58 H VAL 58 1.265 9.212 -4.641 466 HA VAL 58 HA VAL 58 0.947 8.464 -7.493 467 HB VAL 58 HB VAL 58 1.805 6.675 -5.177 468 HG11 VAL 58 1HG1 VAL 58 1.386 5.903 -8.087 469 HG12 VAL 58 2HG1 VAL 58 0.374 5.409 -6.729 470 HG13 VAL 58 3HG1 VAL 58 2.047 4.855 -6.829 471 HG21 VAL 58 3HG2 VAL 58 3.947 6.435 -6.372 472 HG22 VAL 58 1HG2 VAL 58 3.638 8.115 -5.926 473 HG23 VAL 58 2HG2 VAL 58 3.400 7.585 -7.593 474 H SER 59 H SER 59 -1.180 8.442 -7.848 475 HA SER 59 HA SER 59 -3.081 7.464 -5.829 476 HB2 SER 59 1HB SER 59 -3.685 9.582 -6.970 477 HB3 SER 59 2HB SER 59 -3.593 8.782 -8.539 478 HG SER 59 HG SER 59 -5.335 7.477 -7.905 479 H ILE 60 H ILE 60 -3.765 5.388 -5.938 480 HA ILE 60 HA ILE 60 -3.048 3.706 -8.211 481 HB ILE 60 HB ILE 60 -4.467 2.895 -5.630 482 HG12 ILE 60 1HG1 ILE 60 -2.206 1.720 -5.143 483 HG13 ILE 60 2HG1 ILE 60 -1.523 2.731 -6.403 484 HG21 ILE 60 1HG2 ILE 60 -5.007 1.369 -7.483 485 HG22 ILE 60 2HG2 ILE 60 -3.970 0.566 -6.304 486 HG23 ILE 60 3HG2 ILE 60 -3.288 1.148 -7.823 487 HD11 ILE 60 3HD1 ILE 60 -2.057 4.718 -5.113 488 HD12 ILE 60 1HD1 ILE 60 -1.094 3.581 -4.168 489 HD13 ILE 60 2HD1 ILE 60 -2.829 3.713 -3.881 490 HA PRO 61 HA PRO 61 -7.248 4.489 -9.836 491 HB2 PRO 61 1HB PRO 61 -6.981 3.059 -12.177 492 HB3 PRO 61 2HB PRO 61 -6.292 4.676 -11.959 493 HG2 PRO 61 1HG PRO 61 -4.920 2.021 -11.757 494 HG3 PRO 61 2HG PRO 61 -4.351 3.517 -12.531 495 HD2 PRO 61 1HD PRO 61 -3.520 2.742 -10.052 496 HD3 PRO 61 2HD PRO 61 -3.655 4.452 -10.520 497 H SER 62 H SER 62 -9.155 3.194 -10.204 498 HA SER 62 HA SER 62 -9.380 0.993 -8.424 499 HB2 SER 62 1HB SER 62 -11.378 2.025 -10.482 500 HB3 SER 62 2HB SER 62 -11.746 0.902 -9.171 501 HG SER 62 HG SER 62 -11.808 2.497 -7.812 502 H THR 63 H THR 63 -8.944 1.264 -11.909 503 HA THR 63 HA THR 63 -9.532 -1.413 -12.645 504 HB THR 63 HB THR 63 -9.397 0.452 -14.277 505 HG1 THR 63 HG1 THR 63 -8.952 -1.834 -14.851 506 HG21 THR 63 3HG2 THR 63 -6.387 0.347 -13.858 507 HG22 THR 63 1HG2 THR 63 -7.448 1.665 -13.348 508 HG23 THR 63 2HG2 THR 63 -7.234 1.316 -15.065 509 H HIS 64 H HIS 64 -6.885 -0.061 -10.940 510 HA HIS 64 HA HIS 64 -4.938 -2.119 -11.644 511 HB2 HIS 64 1HB HIS 64 -4.381 0.367 -11.278 512 HB3 HIS 64 2HB HIS 64 -4.656 0.096 -9.563 513 HD1 HIS 64 HD1 HIS 64 -2.344 -0.779 -12.393 514 HD2 HIS 64 HD2 HIS 64 -2.527 -1.232 -8.269 515 HE1 HIS 64 HE1 HIS 64 -0.101 -1.637 -11.713 516 HE2 HIS 64 HE2 HIS 64 -0.299 -2.041 -9.241 517 H ILE 65 H ILE 65 -7.439 -1.720 -9.346 518 HA ILE 65 HA ILE 65 -6.242 -2.874 -7.014 519 HB ILE 65 HB ILE 65 -9.223 -2.723 -7.632 520 HG12 ILE 65 1HG1 ILE 65 -8.275 -0.469 -7.845 521 HG13 ILE 65 2HG1 ILE 65 -9.221 -0.559 -6.368 522 HG21 ILE 65 1HG2 ILE 65 -7.754 -2.948 -4.971 523 HG22 ILE 65 2HG2 ILE 65 -8.710 -4.213 -5.746 524 HG23 ILE 65 3HG2 ILE 65 -9.500 -2.750 -5.158 525 HD11 ILE 65 3HD1 ILE 65 -7.143 -0.773 -5.080 526 HD12 ILE 65 1HD1 ILE 65 -7.209 0.704 -6.039 527 HD13 ILE 65 2HD1 ILE 65 -6.219 -0.647 -6.580 528 H THR 66 H THR 66 -5.262 -4.757 -7.663 529 HA THR 66 HA THR 66 -6.989 -7.072 -8.275 530 HB THR 66 HB THR 66 -5.201 -8.013 -9.732 531 HG1 THR 66 HG1 THR 66 -3.961 -5.466 -9.615 532 HG21 THR 66 3HG2 THR 66 -6.006 -5.233 -10.653 533 HG22 THR 66 1HG2 THR 66 -6.979 -6.693 -10.857 534 HG23 THR 66 2HG2 THR 66 -5.430 -6.538 -11.691 535 H GLY 67 H GLY 67 -6.072 -9.107 -7.570 536 HA2 GLY 67 1HA GLY 67 -4.910 -8.933 -4.957 537 HA3 GLY 67 2HA GLY 67 -5.309 -10.405 -5.833 538 H LYS 68 H LYS 68 -3.465 -8.923 -7.998 539 HA LYS 68 HA LYS 68 -1.096 -10.465 -7.377 540 HB2 LYS 68 1HB LYS 68 -1.589 -8.549 -9.702 541 HB3 LYS 68 2HB LYS 68 -0.326 -9.776 -9.601 542 HG2 LYS 68 1HG LYS 68 -2.030 -11.559 -9.616 543 HG3 LYS 68 2HG LYS 68 -3.312 -10.350 -9.685 544 HD2 LYS 68 1HD LYS 68 -1.198 -10.831 -11.817 545 HD3 LYS 68 2HD LYS 68 -2.886 -11.330 -11.902 546 HE2 LYS 68 1HE LYS 68 -3.608 -8.979 -11.897 547 HE3 LYS 68 2HE LYS 68 -1.931 -8.450 -11.736 548 HZ1 LYS 68 3HZ LYS 68 -2.689 -8.289 -13.996 549 HZ2 LYS 68 1HZ LYS 68 -3.076 -9.931 -14.031 550 HZ3 LYS 68 2HZ LYS 68 -1.463 -9.449 -13.882 551 H TYR 69 H TYR 69 -2.003 -7.044 -7.540 552 HA TYR 69 HA TYR 69 0.700 -6.109 -6.888 553 HB2 TYR 69 1HB TYR 69 -1.844 -4.561 -7.535 554 HB3 TYR 69 2HB TYR 69 -0.257 -3.832 -7.272 555 HD1 TYR 69 HD1 TYR 69 1.672 -5.121 -8.794 556 HD2 TYR 69 HD2 TYR 69 -2.463 -4.708 -9.789 557 HE1 TYR 69 HE1 TYR 69 2.210 -5.398 -11.180 558 HE2 TYR 69 HE2 TYR 69 -1.930 -4.994 -12.154 559 HH TYR 69 HH TYR 69 0.984 -6.147 -13.273 560 H PHE 70 H PHE 70 -2.323 -6.710 -5.297 561 HA PHE 70 HA PHE 70 -1.506 -5.138 -2.927 562 HB2 PHE 70 1HB PHE 70 -4.205 -6.151 -3.891 563 HB3 PHE 70 2HB PHE 70 -3.969 -5.584 -2.238 564 HD1 PHE 70 HD1 PHE 70 -4.016 -4.542 -5.803 565 HD2 PHE 70 HD2 PHE 70 -3.618 -3.222 -1.749 566 HE1 PHE 70 HE1 PHE 70 -4.212 -2.202 -6.536 567 HE2 PHE 70 HE2 PHE 70 -3.825 -0.892 -2.489 568 HZ PHE 70 HZ PHE 70 -4.113 -0.375 -4.877 569 H LYS 71 H LYS 71 -0.587 -7.851 -3.884 570 HA LYS 71 HA LYS 71 -1.606 -9.903 -2.234 571 HB2 LYS 71 1HB LYS 71 -0.486 -10.295 -4.376 572 HB3 LYS 71 2HB LYS 71 1.027 -9.659 -3.739 573 HG2 LYS 71 1HG LYS 71 1.240 -11.542 -2.219 574 HG3 LYS 71 2HG LYS 71 -0.364 -12.132 -2.656 575 HD2 LYS 71 1HD LYS 71 2.007 -11.941 -4.554 576 HD3 LYS 71 2HD LYS 71 1.439 -13.416 -3.772 577 HE2 LYS 71 1HE LYS 71 -0.752 -13.162 -4.934 578 HE3 LYS 71 2HE LYS 71 -0.125 -11.736 -5.765 579 HZ1 LYS 71 3HZ LYS 71 0.955 -14.487 -5.991 580 HZ2 LYS 71 1HZ LYS 71 1.561 -13.117 -6.777 581 HZ3 LYS 71 2HZ LYS 71 0.014 -13.683 -7.139 582 H ASP 72 H ASP 72 1.453 -8.074 -2.064 583 HA ASP 72 HA ASP 72 1.509 -8.229 0.842 584 HB2 ASP 72 1HB ASP 72 3.669 -9.252 1.031 585 HB3 ASP 72 2HB ASP 72 2.760 -10.288 -0.051 586 H LEU 73 H LEU 73 3.649 -7.016 1.550 587 HA LEU 73 HA LEU 73 3.167 -4.320 0.855 588 HB2 LEU 73 1HB LEU 73 4.079 -5.286 3.070 589 HB3 LEU 73 2HB LEU 73 5.623 -5.415 2.271 590 HG LEU 73 HG LEU 73 5.666 -2.948 1.948 591 HD11 LEU 73 1HD1 LEU 73 4.064 -1.507 3.117 592 HD12 LEU 73 2HD1 LEU 73 3.115 -2.924 3.578 593 HD13 LEU 73 3HD1 LEU 73 3.283 -2.484 1.874 594 HD21 LEU 73 3HD2 LEU 73 6.127 -2.336 4.278 595 HD22 LEU 73 1HD2 LEU 73 6.808 -3.914 3.886 596 HD23 LEU 73 2HD2 LEU 73 5.327 -3.804 4.842 597 H ASN 74 H ASN 74 5.678 -6.606 -0.275 598 HA ASN 74 HA ASN 74 7.237 -4.652 -1.689 599 HB2 ASN 74 1HB ASN 74 7.063 -7.672 -2.004 600 HB3 ASN 74 2HB ASN 74 8.149 -6.680 -2.962 601 HD21 ASN 74 1HD2 ASN 74 7.608 -8.196 0.060 602 HD22 ASN 74 2HD2 ASN 74 9.079 -7.703 0.834 603 H ALA 75 H ALA 75 4.592 -6.843 -2.635 604 HA ALA 75 HA ALA 75 4.537 -6.244 -5.405 605 HB1 ALA 75 3HB ALA 75 3.442 -8.205 -4.407 606 HB2 ALA 75 1HB ALA 75 2.303 -7.252 -5.363 607 HB3 ALA 75 2HB ALA 75 2.278 -7.151 -3.599 608 H ILE 76 H ILE 76 3.093 -4.689 -2.601 609 HA ILE 76 HA ILE 76 1.462 -2.752 -3.839 610 HB ILE 76 HB ILE 76 3.017 -2.658 -1.217 611 HG12 ILE 76 1HG1 ILE 76 1.252 -4.449 -1.383 612 HG13 ILE 76 2HG1 ILE 76 0.958 -3.288 -0.100 613 HG21 ILE 76 1HG2 ILE 76 0.833 -0.757 -2.126 614 HG22 ILE 76 2HG2 ILE 76 2.536 -0.363 -1.881 615 HG23 ILE 76 3HG2 ILE 76 1.532 -0.820 -0.504 616 HD11 ILE 76 3HD1 ILE 76 -1.072 -3.901 -1.251 617 HD12 ILE 76 1HD1 ILE 76 -0.416 -3.325 -2.782 618 HD13 ILE 76 2HD1 ILE 76 -0.730 -2.186 -1.466 619 H SER 77 H SER 77 4.868 -2.597 -2.757 620 HA SER 77 HA SER 77 5.187 0.182 -3.364 621 HB2 SER 77 1HB SER 77 7.591 -0.243 -2.741 622 HB3 SER 77 2HB SER 77 6.432 -0.785 -1.530 623 HG SER 77 HG SER 77 6.901 -2.821 -1.946 624 H ARG 78 H ARG 78 5.998 -2.825 -5.040 625 HA ARG 78 HA ARG 78 7.822 -1.777 -6.920 626 HB2 ARG 78 1HB ARG 78 7.573 -3.848 -8.142 627 HB3 ARG 78 2HB ARG 78 7.528 -4.227 -6.427 628 HG2 ARG 78 1HG ARG 78 5.118 -4.491 -6.492 629 HG3 ARG 78 2HG ARG 78 5.073 -4.007 -8.187 630 HD2 ARG 78 1HD ARG 78 6.459 -6.474 -7.087 631 HD3 ARG 78 2HD ARG 78 4.896 -6.460 -7.915 632 HE ARG 78 HE ARG 78 6.842 -5.247 -9.556 633 HH11 ARG 78 1HH1 ARG 78 5.988 -8.480 -8.437 634 HH12 ARG 78 2HH1 ARG 78 6.688 -9.252 -9.823 635 HH21 ARG 78 1HH2 ARG 78 7.763 -6.280 -11.322 636 HH22 ARG 78 2HH2 ARG 78 7.692 -8.011 -11.458 637 H THR 79 H THR 79 4.324 -1.989 -6.840 638 HA THR 79 HA THR 79 4.022 -1.092 -9.574 639 HB THR 79 HB THR 79 2.498 -2.809 -8.259 640 HG1 THR 79 HG1 THR 79 2.301 -1.898 -10.439 641 HG21 THR 79 3HG2 THR 79 1.047 -0.199 -7.634 642 HG22 THR 79 1HG2 THR 79 1.801 -1.256 -6.431 643 HG23 THR 79 2HG2 THR 79 0.422 -1.829 -7.377 644 H VAL 80 H VAL 80 3.902 0.246 -6.300 645 HA VAL 80 HA VAL 80 2.836 2.790 -6.927 646 HB VAL 80 HB VAL 80 4.834 1.980 -4.761 647 HG11 VAL 80 1HG1 VAL 80 3.479 4.692 -5.097 648 HG12 VAL 80 2HG1 VAL 80 5.206 4.372 -5.264 649 HG13 VAL 80 3HG1 VAL 80 4.427 4.200 -3.692 650 HG21 VAL 80 3HG2 VAL 80 2.557 1.053 -4.499 651 HG22 VAL 80 1HG2 VAL 80 1.881 2.679 -4.573 652 HG23 VAL 80 2HG2 VAL 80 2.917 2.215 -3.219 653 H GLU 81 H GLU 81 6.140 1.450 -7.112 654 HA GLU 81 HA GLU 81 7.525 3.754 -7.983 655 HB2 GLU 81 1HB GLU 81 8.039 0.781 -8.347 656 HB3 GLU 81 2HB GLU 81 9.145 1.987 -8.988 657 HG2 GLU 81 1HG GLU 81 8.393 1.786 -6.062 658 HG3 GLU 81 2HG GLU 81 9.807 1.026 -6.775 659 H GLN 82 H GLN 82 5.836 1.215 -9.793 660 HA GLN 82 HA GLN 82 6.476 2.073 -12.409 661 HB2 GLN 82 1HB GLN 82 5.493 -0.151 -11.965 662 HB3 GLN 82 2HB GLN 82 3.989 0.602 -11.444 663 HG2 GLN 82 1HG GLN 82 3.803 -0.317 -13.714 664 HG3 GLN 82 2HG GLN 82 3.582 1.431 -13.710 665 HE21 GLN 82 1HE2 GLN 82 4.127 1.717 -15.856 666 HE22 GLN 82 2HE2 GLN 82 5.716 1.485 -16.483 667 H LEU 83 H LEU 83 3.601 2.674 -10.444 668 HA LEU 83 HA LEU 83 2.300 4.504 -12.171 669 HB2 LEU 83 1HB LEU 83 2.008 3.604 -9.311 670 HB3 LEU 83 2HB LEU 83 1.164 5.058 -9.792 671 HG LEU 83 HG LEU 83 -0.203 3.856 -11.390 672 HD11 LEU 83 1HD1 LEU 83 1.368 1.339 -10.769 673 HD12 LEU 83 2HD1 LEU 83 1.428 2.255 -12.277 674 HD13 LEU 83 3HD1 LEU 83 -0.067 1.452 -11.797 675 HD21 LEU 83 3HD2 LEU 83 -0.065 2.346 -8.762 676 HD22 LEU 83 1HD2 LEU 83 -1.428 2.323 -9.888 677 HD23 LEU 83 2HD2 LEU 83 -0.982 3.823 -9.079 678 H LYS 84 H LYS 84 4.807 4.905 -9.786 679 HA LYS 84 HA LYS 84 4.577 7.733 -9.336 680 HB2 LYS 84 1HB LYS 84 5.760 6.058 -7.836 681 HB3 LYS 84 2HB LYS 84 7.039 5.944 -9.034 682 HG2 LYS 84 1HG LYS 84 7.660 8.270 -8.642 683 HG3 LYS 84 2HG LYS 84 6.284 8.488 -7.561 684 HD2 LYS 84 1HD LYS 84 8.627 6.608 -7.069 685 HD3 LYS 84 2HD LYS 84 8.408 8.179 -6.307 686 HE2 LYS 84 1HE LYS 84 6.426 7.396 -5.121 687 HE3 LYS 84 2HE LYS 84 6.449 5.871 -6.008 688 HZ1 LYS 84 3HZ LYS 84 8.558 6.780 -4.140 689 HZ2 LYS 84 1HZ LYS 84 8.504 5.293 -4.941 690 HZ3 LYS 84 2HZ LYS 84 7.344 5.670 -3.769 691 H ALA 85 H ALA 85 6.461 5.640 -11.464 692 HA ALA 85 HA ALA 85 8.026 7.598 -12.797 693 HB1 ALA 85 3HB ALA 85 7.130 4.848 -13.747 694 HB2 ALA 85 1HB ALA 85 8.578 5.179 -12.790 695 HB3 ALA 85 2HB ALA 85 8.451 5.798 -14.439 696 H GLU 86 H GLU 86 4.917 6.030 -13.515 697 HA GLU 86 HA GLU 86 4.346 7.184 -16.017 698 HB2 GLU 86 1HB GLU 86 2.405 6.238 -13.854 699 HB3 GLU 86 2HB GLU 86 1.957 6.571 -15.522 700 HG2 GLU 86 1HG GLU 86 3.958 4.464 -14.687 701 HG3 GLU 86 2HG GLU 86 2.269 4.130 -15.004 702 H SER 87 H SER 87 3.457 8.215 -12.731 703 HA SER 87 HA SER 87 1.915 10.483 -13.439 704 HB2 SER 87 1HB SER 87 3.351 9.810 -10.834 705 HB3 SER 87 2HB SER 87 2.196 11.132 -11.017 706 HG SER 87 HG SER 87 1.606 8.408 -11.544 707 H ALA 88 H ALA 88 5.378 10.075 -12.727 708 HA ALA 88 HA ALA 88 6.031 12.859 -12.580 709 HB1 ALA 88 3HB ALA 88 7.826 10.457 -13.106 710 HB2 ALA 88 1HB ALA 88 7.424 11.118 -11.519 711 HB3 ALA 88 2HB ALA 88 8.371 12.075 -12.658 712 H LEU 89 H LEU 89 6.306 10.384 -15.129 713 HA LEU 89 HA LEU 89 7.471 12.176 -17.067 714 HB2 LEU 89 1HB LEU 89 6.378 9.346 -17.375 715 HB3 LEU 89 2HB LEU 89 7.272 10.216 -18.614 716 HG LEU 89 HG LEU 89 8.375 9.372 -15.916 717 HD11 LEU 89 1HD1 LEU 89 8.976 8.254 -18.664 718 HD12 LEU 89 2HD1 LEU 89 8.062 7.459 -17.379 719 HD13 LEU 89 3HD1 LEU 89 9.775 7.797 -17.155 720 HD21 LEU 89 3HD2 LEU 89 10.573 10.125 -16.749 721 HD22 LEU 89 1HD2 LEU 89 9.429 11.458 -16.621 722 HD23 LEU 89 2HD2 LEU 89 9.808 10.770 -18.202 723 H GLU 90 H GLU 90 4.309 11.922 -15.999 724 HA GLU 90 HA GLU 90 3.009 12.439 -18.567 725 HB2 GLU 90 1HB GLU 90 1.876 11.102 -16.764 726 HB3 GLU 90 2HB GLU 90 1.842 12.543 -15.749 727 HG2 GLU 90 1HG GLU 90 0.453 13.695 -17.484 728 HG3 GLU 90 2HG GLU 90 0.447 12.203 -18.426 729 H282 PNS 101 2H28 PNS 142 -13.387 -3.160 -6.854 730 H281 PNS 101 3H28 PNS 142 -12.358 -3.350 -5.458 731 H303 PNS 101 2H51 PNS 142 -14.938 -5.043 -7.550 732 H302 PNS 101 3H51 PNS 142 -15.568 -5.121 -5.904 733 H301 PNS 101 1H51 PNS 142 -14.898 -6.574 -6.672 734 H313 PNS 101 2H52 PNS 142 -12.291 -5.488 -4.220 735 H312 PNS 101 3H52 PNS 142 -14.034 -5.372 -3.964 736 H311 PNS 101 1H52 PNS 142 -13.344 -6.834 -4.687 737 H32 PNS 101 H32 PNS 142 -12.461 -5.239 -7.958 738 H33 PNS 101 H33 PNS 142 -10.865 -4.377 -6.654 739 H36 PNS 101 H36 PNS 142 -11.207 -7.280 -5.560 740 H372 PNS 101 2H37 PNS 142 -10.491 -9.559 -6.160 741 H371 PNS 101 3H37 PNS 142 -12.148 -9.861 -6.690 742 H382 PNS 101 2H38 PNS 142 -11.722 -10.725 -4.377 743 H381 PNS 101 3H38 PNS 142 -12.965 -9.478 -4.394 744 H41 PNS 101 H41 PNS 142 -9.983 -7.961 -4.794 745 H422 PNS 101 2H42 PNS 142 -9.822 -6.162 -2.989 746 H421 PNS 101 3H42 PNS 142 -9.380 -7.543 -1.962 747 H431 PNS 101 2H43 PNS 142 -7.930 -6.628 -4.479 748 H432 PNS 101 3H43 PNS 142 -7.342 -6.490 -2.809 749 H44 PNS 101 H44 PNS 142 -7.320 -9.282 -2.394 Start of MODEL 4 1 H1 MET 1 1H MET 1 12.551 8.903 0.216 2 H2 MET 1 2H MET 1 12.234 7.854 1.493 3 H3 MET 1 3H MET 1 11.567 9.403 1.491 4 HA MET 1 HA MET 1 9.925 7.753 0.918 5 HB2 MET 1 1HB MET 1 10.019 10.145 -0.032 6 HB3 MET 1 2HB MET 1 10.638 9.437 -1.514 7 HG2 MET 1 1HG MET 1 8.518 8.060 -1.622 8 HG3 MET 1 2HG MET 1 7.918 9.007 -0.261 9 HE1 MET 1 3HE MET 1 10.027 10.057 -3.496 10 HE2 MET 1 1HE MET 1 8.711 10.650 -4.509 11 HE3 MET 1 2HE MET 1 8.784 8.942 -4.075 12 H ASP 2 H ASP 2 12.809 6.748 0.184 13 HA ASP 2 HA ASP 2 12.532 5.414 -2.345 14 HB2 ASP 2 1HB ASP 2 14.604 5.079 -0.125 15 HB3 ASP 2 2HB ASP 2 14.731 4.375 -1.737 16 H GLY 3 H GLY 3 13.439 2.952 -2.139 17 HA2 GLY 3 1HA GLY 3 11.205 1.486 -2.218 18 HA3 GLY 3 2HA GLY 3 12.774 0.781 -1.904 19 H GLU 4 H GLU 4 13.285 1.528 0.713 20 HA GLU 4 HA GLU 4 11.537 -0.277 2.148 21 HB2 GLU 4 1HB GLU 4 13.793 1.367 3.359 22 HB3 GLU 4 2HB GLU 4 13.137 -0.161 3.932 23 HG2 GLU 4 1HG GLU 4 14.761 0.244 1.405 24 HG3 GLU 4 2HG GLU 4 15.364 -0.423 2.914 25 H GLU 5 H GLU 5 12.253 3.190 2.134 26 HA GLU 5 HA GLU 5 10.886 3.959 4.488 27 HB2 GLU 5 1HB GLU 5 11.485 5.580 1.987 28 HB3 GLU 5 2HB GLU 5 10.931 6.275 3.511 29 HG2 GLU 5 1HG GLU 5 12.982 5.498 4.630 30 HG3 GLU 5 2HG GLU 5 13.538 4.758 3.130 31 H VAL 6 H VAL 6 9.723 3.933 1.085 32 HA VAL 6 HA VAL 6 7.154 4.981 1.535 33 HB VAL 6 HB VAL 6 7.839 4.880 -0.754 34 HG11 VAL 6 1HG1 VAL 6 8.115 1.864 -0.553 35 HG12 VAL 6 2HG1 VAL 6 9.445 3.017 -0.635 36 HG13 VAL 6 3HG1 VAL 6 8.357 2.835 -2.011 37 HG21 VAL 6 3HG2 VAL 6 5.411 4.492 -0.439 38 HG22 VAL 6 1HG2 VAL 6 5.683 2.752 -0.478 39 HG23 VAL 6 2HG2 VAL 6 6.003 3.730 -1.914 40 H LYS 7 H LYS 7 8.288 1.613 1.510 41 HA LYS 7 HA LYS 7 5.833 0.350 2.053 42 HB2 LYS 7 1HB LYS 7 8.717 -0.490 2.592 43 HB3 LYS 7 2HB LYS 7 7.336 -1.567 2.801 44 HG2 LYS 7 1HG LYS 7 6.775 -1.243 0.380 45 HG3 LYS 7 2HG LYS 7 8.238 -0.275 0.204 46 HD2 LYS 7 1HD LYS 7 8.089 -3.218 0.951 47 HD3 LYS 7 2HD LYS 7 8.622 -2.551 -0.593 48 HE2 LYS 7 1HE LYS 7 10.536 -1.464 0.557 49 HE3 LYS 7 2HE LYS 7 10.006 -2.169 2.084 50 HZ1 LYS 7 3HZ LYS 7 10.737 -3.747 -0.299 51 HZ2 LYS 7 1HZ LYS 7 10.435 -4.319 1.260 52 HZ3 LYS 7 2HZ LYS 7 11.803 -3.373 0.957 53 H GLU 8 H GLU 8 8.357 1.565 4.180 54 HA GLU 8 HA GLU 8 7.420 0.628 6.658 55 HB2 GLU 8 1HB GLU 8 9.689 1.265 6.572 56 HB3 GLU 8 2HB GLU 8 9.367 2.711 5.633 57 HG2 GLU 8 1HG GLU 8 10.174 3.384 7.745 58 HG3 GLU 8 2HG GLU 8 8.462 3.777 7.671 59 H LYS 9 H LYS 9 6.825 3.647 4.855 60 HA LYS 9 HA LYS 9 5.214 5.031 6.711 61 HB2 LYS 9 1HB LYS 9 5.314 5.064 3.674 62 HB3 LYS 9 2HB LYS 9 4.215 6.104 4.571 63 HG2 LYS 9 1HG LYS 9 6.115 7.199 5.665 64 HG3 LYS 9 2HG LYS 9 7.236 6.145 4.794 65 HD2 LYS 9 1HD LYS 9 6.542 7.090 2.650 66 HD3 LYS 9 2HD LYS 9 5.274 8.041 3.438 67 HE2 LYS 9 1HE LYS 9 8.246 8.376 3.953 68 HE3 LYS 9 2HE LYS 9 7.294 9.390 2.863 69 HZ1 LYS 9 3HZ LYS 9 7.524 10.446 4.996 70 HZ2 LYS 9 1HZ LYS 9 6.887 9.099 5.796 71 HZ3 LYS 9 2HZ LYS 9 5.908 10.019 4.768 72 H ILE 10 H ILE 10 4.355 2.871 4.023 73 HA ILE 10 HA ILE 10 1.544 3.085 4.293 74 HB ILE 10 HB ILE 10 3.163 0.861 2.979 75 HG12 ILE 10 1HG1 ILE 10 1.965 3.323 1.638 76 HG13 ILE 10 2HG1 ILE 10 3.652 3.200 2.112 77 HG21 ILE 10 1HG2 ILE 10 0.820 0.174 3.327 78 HG22 ILE 10 2HG2 ILE 10 1.134 0.427 1.611 79 HG23 ILE 10 3HG2 ILE 10 0.253 1.646 2.533 80 HD11 ILE 10 3HD1 ILE 10 3.954 1.322 0.575 81 HD12 ILE 10 1HD1 ILE 10 3.364 2.765 -0.248 82 HD13 ILE 10 2HD1 ILE 10 2.255 1.439 0.099 83 H ARG 11 H ARG 11 3.961 0.832 5.629 84 HA ARG 11 HA ARG 11 2.068 -1.181 6.407 85 HB2 ARG 11 1HB ARG 11 3.886 -2.505 6.958 86 HB3 ARG 11 2HB ARG 11 4.648 -1.402 5.850 87 HG2 ARG 11 1HG ARG 11 6.243 -1.555 7.489 88 HG3 ARG 11 2HG ARG 11 5.376 -0.117 8.019 89 HD2 ARG 11 1HD ARG 11 4.490 -1.186 9.896 90 HD3 ARG 11 2HD ARG 11 4.475 -2.764 9.120 91 HE ARG 11 HE ARG 11 6.431 -3.194 10.139 92 HH11 ARG 11 1HH1 ARG 11 6.365 0.282 9.695 93 HH12 ARG 11 2HH1 ARG 11 7.892 0.529 10.459 94 HH21 ARG 11 1HH2 ARG 11 8.445 -2.865 11.150 95 HH22 ARG 11 2HH2 ARG 11 9.082 -1.252 11.292 96 H ARG 12 H ARG 12 3.515 1.622 7.859 97 HA ARG 12 HA ARG 12 2.508 1.195 10.482 98 HB2 ARG 12 1HB ARG 12 3.557 3.643 9.018 99 HB3 ARG 12 2HB ARG 12 2.921 3.759 10.642 100 HG2 ARG 12 1HG ARG 12 5.403 2.295 9.717 101 HG3 ARG 12 2HG ARG 12 5.280 3.626 10.875 102 HD2 ARG 12 1HD ARG 12 4.007 2.101 12.404 103 HD3 ARG 12 2HD ARG 12 4.298 0.784 11.252 104 HE ARG 12 HE ARG 12 6.729 2.060 12.073 105 HH11 ARG 12 1HH1 ARG 12 4.337 -0.264 13.140 106 HH12 ARG 12 2HH1 ARG 12 5.441 -1.106 14.173 107 HH21 ARG 12 1HH2 ARG 12 8.195 0.880 13.394 108 HH22 ARG 12 2HH2 ARG 12 7.603 -0.469 14.317 109 H TYR 13 H TYR 13 1.384 2.973 7.623 110 HA TYR 13 HA TYR 13 -0.915 4.143 8.776 111 HB2 TYR 13 1HB TYR 13 0.108 4.851 6.606 112 HB3 TYR 13 2HB TYR 13 -0.474 3.359 5.864 113 HD1 TYR 13 HD1 TYR 13 -1.847 6.253 7.877 114 HD2 TYR 13 HD2 TYR 13 -2.516 3.496 4.689 115 HE1 TYR 13 HE1 TYR 13 -3.977 7.345 7.374 116 HE2 TYR 13 HE2 TYR 13 -4.645 4.583 4.191 117 HH TYR 13 HH TYR 13 -6.302 5.933 5.295 118 H ILE 14 H ILE 14 -0.342 0.922 7.461 119 HA ILE 14 HA ILE 14 -3.059 0.053 7.351 120 HB ILE 14 HB ILE 14 -0.511 -1.599 7.662 121 HG12 ILE 14 1HG1 ILE 14 -2.070 -1.218 5.072 122 HG13 ILE 14 2HG1 ILE 14 -0.812 -0.085 5.543 123 HG21 ILE 14 1HG2 ILE 14 -2.476 -2.924 8.336 124 HG22 ILE 14 2HG2 ILE 14 -1.839 -3.516 6.802 125 HG23 ILE 14 3HG2 ILE 14 -3.293 -2.516 6.823 126 HD11 ILE 14 3HD1 ILE 14 -0.437 -3.038 5.068 127 HD12 ILE 14 1HD1 ILE 14 0.818 -1.899 5.580 128 HD13 ILE 14 2HD1 ILE 14 0.049 -1.718 4.001 129 H MET 15 H MET 15 -0.589 0.146 9.895 130 HA MET 15 HA MET 15 -2.128 -1.335 11.857 131 HB2 MET 15 1HB MET 15 0.325 0.432 12.219 132 HB3 MET 15 2HB MET 15 -0.291 -0.724 13.397 133 HG2 MET 15 1HG MET 15 0.308 -2.575 11.981 134 HG3 MET 15 2HG MET 15 0.688 -1.491 10.646 135 HE1 MET 15 3HE MET 15 1.631 -0.931 14.425 136 HE2 MET 15 1HE MET 15 3.223 -1.687 14.487 137 HE3 MET 15 2HE MET 15 1.791 -2.680 14.227 138 H GLU 16 H GLU 16 -1.811 1.985 10.872 139 HA GLU 16 HA GLU 16 -2.839 3.226 13.279 140 HB2 GLU 16 1HB GLU 16 -2.307 4.351 10.491 141 HB3 GLU 16 2HB GLU 16 -2.838 5.328 11.855 142 HG2 GLU 16 1HG GLU 16 -0.232 3.789 11.712 143 HG3 GLU 16 2HG GLU 16 -0.417 5.518 11.385 144 H ASP 17 H ASP 17 -3.968 3.154 9.899 145 HA ASP 17 HA ASP 17 -6.569 4.203 10.693 146 HB2 ASP 17 1HB ASP 17 -5.303 5.305 8.921 147 HB3 ASP 17 2HB ASP 17 -5.214 3.809 8.008 148 H LEU 18 H LEU 18 -5.261 1.386 8.977 149 HA LEU 18 HA LEU 18 -7.841 0.411 8.109 150 HB2 LEU 18 1HB LEU 18 -5.023 -0.710 7.892 151 HB3 LEU 18 2HB LEU 18 -6.426 -1.606 7.343 152 HG LEU 18 HG LEU 18 -6.906 0.103 5.633 153 HD11 LEU 18 1HD1 LEU 18 -4.432 1.573 6.571 154 HD12 LEU 18 2HD1 LEU 18 -6.101 2.143 6.677 155 HD13 LEU 18 3HD1 LEU 18 -5.345 1.930 5.099 156 HD21 LEU 18 3HD2 LEU 18 -5.469 -1.780 5.058 157 HD22 LEU 18 1HD2 LEU 18 -4.039 -0.860 5.529 158 HD23 LEU 18 2HD2 LEU 18 -5.012 -0.343 4.149 159 H ILE 19 H ILE 19 -5.307 -0.988 10.160 160 HA ILE 19 HA ILE 19 -7.193 -2.806 11.480 161 HB ILE 19 HB ILE 19 -4.148 -2.713 11.621 162 HG12 ILE 19 1HG1 ILE 19 -5.911 -4.544 9.938 163 HG13 ILE 19 2HG1 ILE 19 -4.911 -3.237 9.312 164 HG21 ILE 19 1HG2 ILE 19 -6.009 -4.931 12.526 165 HG22 ILE 19 2HG2 ILE 19 -5.140 -3.825 13.589 166 HG23 ILE 19 3HG2 ILE 19 -4.242 -4.967 12.588 167 HD11 ILE 19 3HD1 ILE 19 -3.940 -5.772 10.634 168 HD12 ILE 19 1HD1 ILE 19 -2.906 -4.441 10.108 169 HD13 ILE 19 2HD1 ILE 19 -3.841 -5.352 8.925 170 H GLY 20 H GLY 20 -7.048 -2.959 13.850 171 HA2 GLY 20 1HA GLY 20 -6.331 -0.397 15.163 172 HA3 GLY 20 2HA GLY 20 -7.821 -1.253 15.511 173 HA PRO 21 HA PRO 21 -5.859 -2.755 19.031 174 HB2 PRO 21 1HB PRO 21 -7.250 -5.034 19.680 175 HB3 PRO 21 2HB PRO 21 -7.979 -3.417 19.727 176 HG2 PRO 21 1HG PRO 21 -8.217 -5.525 17.611 177 HG3 PRO 21 2HG PRO 21 -9.471 -4.452 18.273 178 HD2 PRO 21 1HD PRO 21 -8.194 -3.986 15.874 179 HD3 PRO 21 2HD PRO 21 -8.883 -2.688 16.876 180 H SER 22 H SER 22 -6.103 -5.417 16.649 181 HA SER 22 HA SER 22 -3.691 -6.696 17.753 182 HB2 SER 22 1HB SER 22 -5.700 -8.101 17.258 183 HB3 SER 22 2HB SER 22 -5.549 -7.684 15.557 184 HG SER 22 HG SER 22 -3.356 -8.609 15.716 185 H ALA 23 H ALA 23 -2.534 -4.735 17.064 186 HA ALA 23 HA ALA 23 -1.158 -5.299 14.552 187 HB1 ALA 23 3HB ALA 23 -2.765 -3.553 13.898 188 HB2 ALA 23 1HB ALA 23 -1.113 -2.937 13.862 189 HB3 ALA 23 2HB ALA 23 -2.191 -2.510 15.200 190 H LYS 24 H LYS 24 -0.008 -6.193 16.433 191 HA LYS 24 HA LYS 24 1.502 -4.811 18.322 192 HB2 LYS 24 1HB LYS 24 1.121 -7.263 18.190 193 HB3 LYS 24 2HB LYS 24 2.183 -7.342 16.794 194 HG2 LYS 24 1HG LYS 24 4.100 -6.720 18.190 195 HG3 LYS 24 2HG LYS 24 3.033 -6.547 19.590 196 HD2 LYS 24 1HD LYS 24 4.130 -8.713 19.699 197 HD3 LYS 24 2HD LYS 24 2.408 -8.941 19.386 198 HE2 LYS 24 1HE LYS 24 2.980 -9.219 16.930 199 HE3 LYS 24 2HE LYS 24 4.684 -9.195 17.384 200 HZ1 LYS 24 3HZ LYS 24 3.882 -11.431 17.148 201 HZ2 LYS 24 1HZ LYS 24 2.658 -11.158 18.278 202 HZ3 LYS 24 2HZ LYS 24 4.275 -11.146 18.770 203 H GLU 25 H GLU 25 3.948 -4.568 18.270 204 HA GLU 25 HA GLU 25 4.581 -2.383 16.796 205 HB2 GLU 25 1HB GLU 25 6.686 -4.393 17.678 206 HB3 GLU 25 2HB GLU 25 6.895 -2.661 17.470 207 HG2 GLU 25 1HG GLU 25 5.309 -4.070 19.634 208 HG3 GLU 25 2HG GLU 25 6.817 -3.180 19.831 209 H ASP 26 H ASP 26 5.181 -5.734 15.734 210 HA ASP 26 HA ASP 26 5.662 -4.772 12.987 211 HB2 ASP 26 1HB ASP 26 7.457 -6.801 14.411 212 HB3 ASP 26 2HB ASP 26 7.501 -6.495 12.676 213 H GLU 27 H GLU 27 3.268 -5.866 14.094 214 HA GLU 27 HA GLU 27 2.918 -8.540 13.158 215 HB2 GLU 27 1HB GLU 27 1.056 -6.415 14.140 216 HB3 GLU 27 2HB GLU 27 0.332 -7.497 12.946 217 HG2 GLU 27 1HG GLU 27 1.218 -9.411 14.457 218 HG3 GLU 27 2HG GLU 27 1.471 -8.157 15.654 219 H LEU 28 H LEU 28 2.931 -5.418 11.635 220 HA LEU 28 HA LEU 28 2.301 -6.566 9.005 221 HB2 LEU 28 1HB LEU 28 2.381 -3.764 10.127 222 HB3 LEU 28 2HB LEU 28 2.671 -3.958 8.414 223 HG LEU 28 HG LEU 28 0.325 -3.411 8.816 224 HD11 LEU 28 1HD1 LEU 28 0.616 -6.284 7.880 225 HD12 LEU 28 2HD1 LEU 28 0.820 -4.832 6.894 226 HD13 LEU 28 3HD1 LEU 28 -0.757 -5.214 7.574 227 HD21 LEU 28 3HD2 LEU 28 0.143 -5.955 10.460 228 HD22 LEU 28 1HD2 LEU 28 -1.195 -4.880 10.039 229 HD23 LEU 28 2HD2 LEU 28 0.094 -4.306 11.091 230 H ASP 29 H ASP 29 3.802 -6.971 7.555 231 HA ASP 29 HA ASP 29 6.597 -6.021 7.854 232 HB2 ASP 29 1HB ASP 29 6.276 -8.425 8.652 233 HB3 ASP 29 2HB ASP 29 5.710 -8.850 7.049 234 H ASP 30 H ASP 30 7.771 -6.495 5.777 235 HA ASP 30 HA ASP 30 6.636 -5.128 3.586 236 HB2 ASP 30 1HB ASP 30 8.956 -4.859 3.812 237 HB3 ASP 30 2HB ASP 30 9.222 -6.542 4.224 238 H GLN 31 H GLN 31 6.890 -8.516 4.399 239 HA GLN 31 HA GLN 31 5.917 -9.344 1.725 240 HB2 GLN 31 1HB GLN 31 7.721 -10.903 3.643 241 HB3 GLN 31 2HB GLN 31 7.122 -11.496 2.096 242 HG2 GLN 31 1HG GLN 31 8.366 -9.723 0.926 243 HG3 GLN 31 2HG GLN 31 8.961 -9.116 2.471 244 HE21 GLN 31 1HE2 GLN 31 11.113 -9.423 1.907 245 HE22 GLN 31 2HE2 GLN 31 11.829 -10.993 1.778 246 H THR 32 H THR 32 4.634 -8.625 4.462 247 HA THR 32 HA THR 32 3.169 -10.888 5.288 248 HB THR 32 HB THR 32 2.656 -7.921 5.512 249 HG1 THR 32 HG1 THR 32 3.737 -9.927 7.109 250 HG21 THR 32 3HG2 THR 32 0.958 -10.123 6.725 251 HG22 THR 32 1HG2 THR 32 0.432 -8.982 5.489 252 HG23 THR 32 2HG2 THR 32 0.831 -8.404 7.110 253 HA PRO 33 HA PRO 33 0.528 -11.175 1.589 254 HB2 PRO 33 1HB PRO 33 -0.935 -13.350 2.412 255 HB3 PRO 33 2HB PRO 33 0.724 -13.501 1.813 256 HG2 PRO 33 1HG PRO 33 -0.249 -13.459 4.653 257 HG3 PRO 33 2HG PRO 33 0.978 -14.509 3.903 258 HD2 PRO 33 1HD PRO 33 1.636 -12.304 5.394 259 HD3 PRO 33 2HD PRO 33 2.645 -12.889 4.048 260 H LEU 34 H LEU 34 -0.459 -9.190 1.986 261 HA LEU 34 HA LEU 34 -2.048 -8.447 4.165 262 HB2 LEU 34 1HB LEU 34 -2.092 -7.259 1.367 263 HB3 LEU 34 2HB LEU 34 -2.581 -6.449 2.849 264 HG LEU 34 HG LEU 34 0.274 -7.281 2.150 265 HD11 LEU 34 1HD1 LEU 34 -0.477 -5.443 0.754 266 HD12 LEU 34 2HD1 LEU 34 0.738 -4.898 1.906 267 HD13 LEU 34 3HD1 LEU 34 -0.966 -4.520 2.180 268 HD21 LEU 34 3HD2 LEU 34 -0.081 -7.339 4.574 269 HD22 LEU 34 1HD2 LEU 34 -0.701 -5.686 4.543 270 HD23 LEU 34 2HD2 LEU 34 0.985 -6.012 4.121 271 H LEU 35 H LEU 35 -3.066 -9.301 0.839 272 HA LEU 35 HA LEU 35 -5.873 -9.117 1.277 273 HB2 LEU 35 1HB LEU 35 -4.324 -10.644 -0.837 274 HB3 LEU 35 2HB LEU 35 -6.066 -10.401 -0.872 275 HG LEU 35 HG LEU 35 -3.963 -8.213 -1.078 276 HD11 LEU 35 1HD1 LEU 35 -4.081 -9.603 -3.074 277 HD12 LEU 35 2HD1 LEU 35 -4.701 -7.984 -3.381 278 HD13 LEU 35 3HD1 LEU 35 -5.825 -9.333 -3.180 279 HD21 LEU 35 3HD2 LEU 35 -5.969 -7.359 0.053 280 HD22 LEU 35 1HD2 LEU 35 -6.990 -7.975 -1.250 281 HD23 LEU 35 2HD2 LEU 35 -5.830 -6.682 -1.566 282 H GLU 36 H GLU 36 -3.577 -11.785 1.519 283 HA GLU 36 HA GLU 36 -5.464 -13.901 1.763 284 HB2 GLU 36 1HB GLU 36 -3.027 -14.119 1.103 285 HB3 GLU 36 2HB GLU 36 -2.585 -13.805 2.772 286 HG2 GLU 36 1HG GLU 36 -4.391 -16.122 2.082 287 HG3 GLU 36 2HG GLU 36 -2.649 -16.261 1.882 288 H TRP 37 H TRP 37 -3.842 -11.776 4.096 289 HA TRP 37 HA TRP 37 -5.025 -12.940 6.441 290 HB2 TRP 37 1HB TRP 37 -3.600 -10.303 5.923 291 HB3 TRP 37 2HB TRP 37 -4.275 -10.701 7.501 292 HD1 TRP 37 HD1 TRP 37 -2.650 -13.645 5.712 293 HE1 TRP 37 HE1 TRP 37 -0.403 -14.181 6.832 294 HE3 TRP 37 HE3 TRP 37 -2.243 -9.532 8.727 295 HZ2 TRP 37 HZ2 TRP 37 1.316 -13.038 8.733 296 HZ3 TRP 37 HZ3 TRP 37 -0.250 -9.326 10.171 297 HH2 TRP 37 HH2 TRP 37 1.494 -11.049 10.171 298 H GLY 38 H GLY 38 -6.102 -10.725 4.007 299 HA2 GLY 38 1HA GLY 38 -8.277 -10.124 3.532 300 HA3 GLY 38 2HA GLY 38 -8.799 -10.793 5.070 301 H ILE 39 H ILE 39 -6.167 -8.573 5.157 302 HA ILE 39 HA ILE 39 -7.681 -6.774 6.835 303 HB ILE 39 HB ILE 39 -5.576 -5.606 7.238 304 HG12 ILE 39 1HG1 ILE 39 -4.345 -7.378 5.071 305 HG13 ILE 39 2HG1 ILE 39 -4.618 -5.648 4.941 306 HG21 ILE 39 1HG2 ILE 39 -5.149 -8.623 7.248 307 HG22 ILE 39 2HG2 ILE 39 -5.989 -7.692 8.489 308 HG23 ILE 39 3HG2 ILE 39 -4.263 -7.450 8.227 309 HD11 ILE 39 3HD1 ILE 39 -2.308 -6.116 5.384 310 HD12 ILE 39 1HD1 ILE 39 -2.726 -7.012 6.841 311 HD13 ILE 39 2HD1 ILE 39 -3.015 -5.273 6.758 312 H LEU 40 H LEU 40 -7.102 -6.948 3.468 313 HA LEU 40 HA LEU 40 -7.542 -4.039 3.078 314 HB2 LEU 40 1HB LEU 40 -6.471 -6.061 1.076 315 HB3 LEU 40 2HB LEU 40 -6.720 -4.350 0.770 316 HG LEU 40 HG LEU 40 -4.631 -5.605 2.591 317 HD11 LEU 40 1HD1 LEU 40 -3.026 -4.507 1.088 318 HD12 LEU 40 2HD1 LEU 40 -4.349 -3.922 0.075 319 HD13 LEU 40 3HD1 LEU 40 -4.047 -5.658 0.226 320 HD21 LEU 40 3HD2 LEU 40 -5.261 -2.649 2.261 321 HD22 LEU 40 1HD2 LEU 40 -3.868 -3.319 3.116 322 HD23 LEU 40 2HD2 LEU 40 -5.494 -3.618 3.721 323 H ASN 41 H ASN 41 -9.815 -4.442 3.584 324 HA ASN 41 HA ASN 41 -11.506 -5.476 1.453 325 HB2 ASN 41 1HB ASN 41 -12.182 -3.574 3.760 326 HB3 ASN 41 2HB ASN 41 -13.354 -4.384 2.722 327 HD21 ASN 41 1HD2 ASN 41 -13.631 -6.640 2.936 328 HD22 ASN 41 2HD2 ASN 41 -13.170 -7.466 4.379 329 H SER 42 H SER 42 -12.932 -3.941 0.160 330 HA SER 42 HA SER 42 -11.268 -2.188 -1.275 331 HB2 SER 42 2HB SER 42 -13.342 -3.361 -2.184 332 HB3 SER 42 1HB SER 42 -14.298 -2.097 -1.406 333 H MET 43 H MET 43 -13.474 -1.589 1.367 334 HA MET 43 HA MET 43 -13.751 1.212 1.165 335 HB2 MET 43 1HB MET 43 -13.975 -0.639 3.579 336 HB3 MET 43 2HB MET 43 -14.444 1.060 3.600 337 HG2 MET 43 1HG MET 43 -16.406 -0.344 3.349 338 HG3 MET 43 2HG MET 43 -16.157 0.587 1.874 339 HE1 MET 43 3HE MET 43 -16.583 -2.097 -0.690 340 HE2 MET 43 1HE MET 43 -15.919 -0.480 -0.475 341 HE3 MET 43 2HE MET 43 -17.522 -0.865 0.154 342 H ASN 44 H ASN 44 -11.370 -0.813 2.927 343 HA ASN 44 HA ASN 44 -10.007 1.585 3.900 344 HB2 ASN 44 1HB ASN 44 -8.694 0.171 5.341 345 HB3 ASN 44 2HB ASN 44 -10.400 -0.225 5.510 346 HD21 ASN 44 1HD2 ASN 44 -7.351 -1.289 4.137 347 HD22 ASN 44 2HD2 ASN 44 -7.772 -2.950 4.038 348 H ILE 45 H ILE 45 -9.678 -0.530 1.189 349 HA ILE 45 HA ILE 45 -6.808 -0.295 0.942 350 HB ILE 45 HB ILE 45 -8.207 -2.176 -0.119 351 HG12 ILE 45 1HG1 ILE 45 -6.243 -0.719 -1.943 352 HG13 ILE 45 2HG1 ILE 45 -5.781 -1.804 -0.636 353 HG21 ILE 45 1HG2 ILE 45 -9.141 -1.829 -2.370 354 HG22 ILE 45 2HG2 ILE 45 -8.716 -0.117 -2.305 355 HG23 ILE 45 3HG2 ILE 45 -9.932 -0.762 -1.209 356 HD11 ILE 45 3HD1 ILE 45 -5.580 -2.908 -2.768 357 HD12 ILE 45 1HD1 ILE 45 -7.263 -2.558 -3.158 358 HD13 ILE 45 2HD1 ILE 45 -6.871 -3.666 -1.838 359 H VAL 46 H VAL 46 -9.589 1.517 -0.215 360 HA VAL 46 HA VAL 46 -8.229 3.228 -2.041 361 HB VAL 46 HB VAL 46 -10.238 4.673 -1.925 362 HG11 VAL 46 1HG1 VAL 46 -10.303 2.723 -3.426 363 HG12 VAL 46 2HG1 VAL 46 -11.909 3.016 -2.756 364 HG13 VAL 46 3HG1 VAL 46 -10.912 1.706 -2.117 365 HG21 VAL 46 3HG2 VAL 46 -11.224 2.829 0.284 366 HG22 VAL 46 1HG2 VAL 46 -12.177 4.100 -0.489 367 HG23 VAL 46 2HG2 VAL 46 -10.762 4.520 0.480 368 H LYS 47 H LYS 47 -8.562 3.182 1.412 369 HA LYS 47 HA LYS 47 -7.814 5.845 2.065 370 HB2 LYS 47 1HB LYS 47 -7.277 3.371 3.761 371 HB3 LYS 47 2HB LYS 47 -7.503 5.018 4.322 372 HG2 LYS 47 1HG LYS 47 -9.692 3.457 2.936 373 HG3 LYS 47 2HG LYS 47 -9.415 3.331 4.668 374 HD2 LYS 47 1HD LYS 47 -9.946 5.988 3.308 375 HD3 LYS 47 2HD LYS 47 -11.249 4.927 3.852 376 HE2 LYS 47 1HE LYS 47 -10.917 6.497 5.624 377 HE3 LYS 47 2HE LYS 47 -10.184 4.987 6.163 378 HZ1 LYS 47 3HZ LYS 47 -8.879 7.016 6.625 379 HZ2 LYS 47 1HZ LYS 47 -8.624 7.198 4.966 380 HZ3 LYS 47 2HZ LYS 47 -8.050 5.827 5.769 381 H LEU 48 H LEU 48 -6.021 2.847 1.404 382 HA LEU 48 HA LEU 48 -3.397 3.798 1.913 383 HB2 LEU 48 1HB LEU 48 -4.442 1.578 0.119 384 HB3 LEU 48 2HB LEU 48 -2.724 1.909 0.288 385 HG LEU 48 HG LEU 48 -4.598 1.011 2.511 386 HD11 LEU 48 1HD1 LEU 48 -3.298 -1.071 2.501 387 HD12 LEU 48 2HD1 LEU 48 -2.353 -0.495 1.126 388 HD13 LEU 48 3HD1 LEU 48 -4.083 -0.804 0.944 389 HD21 LEU 48 3HD2 LEU 48 -1.608 1.537 2.645 390 HD22 LEU 48 1HD2 LEU 48 -2.611 0.884 3.944 391 HD23 LEU 48 2HD2 LEU 48 -2.864 2.534 3.380 392 H MET 49 H MET 49 -5.362 3.633 -1.102 393 HA MET 49 HA MET 49 -3.365 4.486 -2.876 394 HB2 MET 49 1HB MET 49 -6.384 4.776 -3.068 395 HB3 MET 49 2HB MET 49 -5.291 5.169 -4.392 396 HG2 MET 49 1HG MET 49 -4.437 2.741 -4.153 397 HG3 MET 49 2HG MET 49 -5.905 2.457 -3.213 398 HE1 MET 49 3HE MET 49 -8.182 4.113 -4.606 399 HE2 MET 49 1HE MET 49 -8.313 2.386 -4.249 400 HE3 MET 49 2HE MET 49 -8.705 2.985 -5.858 401 H VAL 50 H VAL 50 -5.618 6.431 -0.944 402 HA VAL 50 HA VAL 50 -4.813 8.958 -2.084 403 HB VAL 50 HB VAL 50 -6.233 10.030 -0.431 404 HG11 VAL 50 1HG1 VAL 50 -8.411 8.955 -0.950 405 HG12 VAL 50 2HG1 VAL 50 -7.568 7.508 -1.505 406 HG13 VAL 50 3HG1 VAL 50 -7.372 9.034 -2.376 407 HG21 VAL 50 3HG2 VAL 50 -6.525 7.317 0.930 408 HG22 VAL 50 1HG2 VAL 50 -7.395 8.788 1.383 409 HG23 VAL 50 2HG2 VAL 50 -5.640 8.697 1.577 410 H TYR 51 H TYR 51 -3.754 6.976 0.622 411 HA TYR 51 HA TYR 51 -2.182 8.914 1.999 412 HB2 TYR 51 1HB TYR 51 -2.884 6.802 3.072 413 HB3 TYR 51 2HB TYR 51 -1.949 5.869 1.913 414 HD1 TYR 51 HD1 TYR 51 -1.616 8.410 4.648 415 HD2 TYR 51 HD2 TYR 51 0.377 5.363 2.393 416 HE1 TYR 51 HE1 TYR 51 0.310 8.548 6.167 417 HE2 TYR 51 HE2 TYR 51 2.300 5.497 3.910 418 HH TYR 51 HH TYR 51 3.294 7.323 5.466 419 H ILE 52 H ILE 52 -1.349 6.400 -0.416 420 HA ILE 52 HA ILE 52 1.379 7.125 -0.751 421 HB ILE 52 HB ILE 52 -0.509 5.508 -2.524 422 HG12 ILE 52 1HG1 ILE 52 1.069 3.592 -1.912 423 HG13 ILE 52 2HG1 ILE 52 1.885 4.683 -0.805 424 HG21 ILE 52 1HG2 ILE 52 1.088 6.559 -4.060 425 HG22 ILE 52 2HG2 ILE 52 1.414 4.833 -3.942 426 HG23 ILE 52 3HG2 ILE 52 2.445 5.985 -3.090 427 HD11 ILE 52 3HD1 ILE 52 -0.153 4.820 0.531 428 HD12 ILE 52 1HD1 ILE 52 0.408 3.159 0.335 429 HD13 ILE 52 2HD1 ILE 52 -0.965 3.740 -0.607 430 H ARG 53 H ARG 53 -1.609 8.238 -2.277 431 HA ARG 53 HA ARG 53 -0.570 9.818 -4.358 432 HB2 ARG 53 1HB ARG 53 -2.935 9.292 -4.284 433 HB3 ARG 53 2HB ARG 53 -3.122 10.102 -2.732 434 HG2 ARG 53 1HG ARG 53 -2.597 12.282 -3.846 435 HG3 ARG 53 2HG ARG 53 -2.512 11.439 -5.394 436 HD2 ARG 53 1HD ARG 53 -4.841 10.917 -5.345 437 HD3 ARG 53 2HD ARG 53 -4.984 11.378 -3.641 438 HE ARG 53 HE ARG 53 -4.108 13.620 -5.066 439 HH11 ARG 53 1HH1 ARG 53 -6.997 11.641 -4.872 440 HH12 ARG 53 2HH1 ARG 53 -8.058 12.941 -5.310 441 HH21 ARG 53 1HH2 ARG 53 -5.510 15.334 -5.550 442 HH22 ARG 53 2HH2 ARG 53 -7.214 15.037 -5.694 443 H ASP 54 H ASP 54 -1.024 10.528 -0.919 444 HA ASP 54 HA ASP 54 -0.290 13.323 -1.198 445 HB2 ASP 54 1HB ASP 54 -1.946 12.647 0.499 446 HB3 ASP 54 2HB ASP 54 -0.762 11.594 1.272 447 H GLU 55 H GLU 55 1.146 10.473 0.385 448 HA GLU 55 HA GLU 55 3.485 11.782 1.340 449 HB2 GLU 55 1HB GLU 55 2.775 8.837 1.074 450 HB3 GLU 55 2HB GLU 55 4.204 9.421 1.921 451 HG2 GLU 55 1HG GLU 55 1.410 10.288 2.696 452 HG3 GLU 55 2HG GLU 55 2.141 8.809 3.318 453 H MET 56 H MET 56 3.076 9.275 -1.170 454 HA MET 56 HA MET 56 5.799 9.578 -2.117 455 HB2 MET 56 1HB MET 56 3.588 7.620 -2.582 456 HB3 MET 56 2HB MET 56 4.725 7.811 -3.907 457 HG2 MET 56 1HG MET 56 5.305 5.949 -2.392 458 HG3 MET 56 2HG MET 56 6.568 7.169 -2.506 459 HE1 MET 56 3HE MET 56 3.221 7.246 -0.362 460 HE2 MET 56 1HE MET 56 3.821 6.662 1.190 461 HE3 MET 56 2HE MET 56 3.778 5.576 -0.202 462 H GLY 57 H GLY 57 2.732 10.895 -2.892 463 HA2 GLY 57 1HA GLY 57 2.108 12.472 -4.451 464 HA3 GLY 57 2HA GLY 57 3.727 12.428 -5.135 465 H VAL 58 H VAL 58 2.141 9.390 -4.766 466 HA VAL 58 HA VAL 58 1.774 9.164 -7.706 467 HB VAL 58 HB VAL 58 2.366 6.939 -5.701 468 HG11 VAL 58 1HG1 VAL 58 2.343 6.865 -8.749 469 HG12 VAL 58 2HG1 VAL 58 1.148 6.123 -7.684 470 HG13 VAL 58 3HG1 VAL 58 2.808 5.528 -7.694 471 HG21 VAL 58 3HG2 VAL 58 4.662 6.871 -6.626 472 HG22 VAL 58 1HG2 VAL 58 4.319 8.413 -5.832 473 HG23 VAL 58 2HG2 VAL 58 4.314 8.303 -7.596 474 H SER 59 H SER 59 -0.386 9.220 -8.163 475 HA SER 59 HA SER 59 -2.368 8.181 -6.289 476 HB2 SER 59 1HB SER 59 -2.890 10.264 -7.499 477 HB3 SER 59 2HB SER 59 -2.720 9.437 -9.045 478 HG SER 59 HG SER 59 -4.912 9.695 -8.192 479 H ILE 60 H ILE 60 -2.838 6.081 -6.293 480 HA ILE 60 HA ILE 60 -2.352 4.342 -8.583 481 HB ILE 60 HB ILE 60 -3.543 3.682 -5.854 482 HG12 ILE 60 1HG1 ILE 60 -0.704 3.196 -6.884 483 HG13 ILE 60 2HG1 ILE 60 -1.155 4.467 -5.756 484 HG21 ILE 60 1HG2 ILE 60 -3.119 1.294 -6.472 485 HG22 ILE 60 2HG2 ILE 60 -2.658 1.803 -8.096 486 HG23 ILE 60 3HG2 ILE 60 -4.312 2.057 -7.526 487 HD11 ILE 60 3HD1 ILE 60 -1.812 2.734 -4.111 488 HD12 ILE 60 1HD1 ILE 60 -0.115 2.642 -4.585 489 HD13 ILE 60 2HD1 ILE 60 -1.273 1.491 -5.247 490 HA PRO 61 HA PRO 61 -6.696 5.079 -9.793 491 HB2 PRO 61 1HB PRO 61 -6.632 3.729 -12.182 492 HB3 PRO 61 2HB PRO 61 -5.944 5.353 -11.988 493 HG2 PRO 61 1HG PRO 61 -4.522 2.705 -11.982 494 HG3 PRO 61 2HG PRO 61 -4.060 4.226 -12.781 495 HD2 PRO 61 1HD PRO 61 -2.971 3.427 -10.402 496 HD3 PRO 61 2HD PRO 61 -3.178 5.142 -10.833 497 H SER 62 H SER 62 -8.562 3.828 -9.952 498 HA SER 62 HA SER 62 -8.669 1.486 -8.350 499 HB2 SER 62 1HB SER 62 -11.119 1.523 -9.051 500 HB3 SER 62 2HB SER 62 -10.514 2.998 -8.299 501 HG SER 62 HG SER 62 -10.926 4.025 -10.046 502 H THR 63 H THR 63 -8.472 1.966 -11.819 503 HA THR 63 HA THR 63 -9.240 -0.654 -12.642 504 HB THR 63 HB THR 63 -9.258 1.358 -14.170 505 HG1 THR 63 HG1 THR 63 -7.712 -0.894 -14.995 506 HG21 THR 63 3HG2 THR 63 -6.232 1.001 -14.237 507 HG22 THR 63 1HG2 THR 63 -7.070 2.369 -13.510 508 HG23 THR 63 2HG2 THR 63 -7.165 2.098 -15.256 509 H HIS 64 H HIS 64 -6.418 0.514 -11.079 510 HA HIS 64 HA HIS 64 -4.678 -1.653 -12.043 511 HB2 HIS 64 1HB HIS 64 -4.004 0.932 -11.696 512 HB3 HIS 64 2HB HIS 64 -3.719 0.398 -10.047 513 HD1 HIS 64 HD1 HIS 64 -2.593 -0.218 -13.595 514 HD2 HIS 64 HD2 HIS 64 -1.371 -1.091 -9.725 515 HE1 HIS 64 HE1 HIS 64 -0.322 -1.263 -13.828 516 HE2 HIS 64 HE2 HIS 64 0.335 -1.867 -11.491 517 H ILE 65 H ILE 65 -6.956 -1.259 -9.699 518 HA ILE 65 HA ILE 65 -5.631 -2.498 -7.443 519 HB ILE 65 HB ILE 65 -8.608 -1.986 -7.864 520 HG12 ILE 65 1HG1 ILE 65 -7.338 0.118 -7.837 521 HG13 ILE 65 2HG1 ILE 65 -8.236 -0.029 -6.330 522 HG21 ILE 65 1HG2 ILE 65 -8.813 -2.284 -5.386 523 HG22 ILE 65 2HG2 ILE 65 -7.113 -2.756 -5.311 524 HG23 ILE 65 3HG2 ILE 65 -8.270 -3.762 -6.185 525 HD11 ILE 65 3HD1 ILE 65 -5.974 0.837 -6.040 526 HD12 ILE 65 1HD1 ILE 65 -5.304 -0.660 -6.666 527 HD13 ILE 65 2HD1 ILE 65 -6.218 -0.662 -5.154 528 H THR 66 H THR 66 -4.863 -4.387 -8.152 529 HA THR 66 HA THR 66 -6.767 -6.597 -8.312 530 HB THR 66 HB THR 66 -6.216 -6.316 -10.655 531 HG1 THR 66 HG1 THR 66 -6.240 -8.468 -10.029 532 HG21 THR 66 3HG2 THR 66 -3.280 -6.400 -9.868 533 HG22 THR 66 1HG2 THR 66 -4.145 -4.979 -10.460 534 HG23 THR 66 2HG2 THR 66 -3.901 -6.372 -11.520 535 H GLY 67 H GLY 67 -5.820 -8.620 -7.712 536 HA2 GLY 67 1HA GLY 67 -4.360 -8.314 -5.297 537 HA3 GLY 67 2HA GLY 67 -4.955 -9.817 -5.983 538 H LYS 68 H LYS 68 -3.349 -8.946 -8.505 539 HA LYS 68 HA LYS 68 -1.010 -10.440 -8.069 540 HB2 LYS 68 1HB LYS 68 -1.627 -8.351 -10.199 541 HB3 LYS 68 2HB LYS 68 -0.267 -9.471 -10.263 542 HG2 LYS 68 1HG LYS 68 -1.875 -11.385 -10.291 543 HG3 LYS 68 2HG LYS 68 -3.215 -10.236 -10.311 544 HD2 LYS 68 1HD LYS 68 -1.055 -10.420 -12.452 545 HD3 LYS 68 2HD LYS 68 -2.649 -11.165 -12.573 546 HE2 LYS 68 1HE LYS 68 -2.167 -8.177 -12.272 547 HE3 LYS 68 2HE LYS 68 -2.479 -8.993 -13.804 548 HZ1 LYS 68 3HZ LYS 68 -4.452 -7.971 -12.838 549 HZ2 LYS 68 1HZ LYS 68 -4.324 -8.972 -11.489 550 HZ3 LYS 68 2HZ LYS 68 -4.633 -9.639 -13.006 551 H TYR 69 H TYR 69 -1.664 -6.980 -7.792 552 HA TYR 69 HA TYR 69 1.109 -6.331 -7.083 553 HB2 TYR 69 1HB TYR 69 -1.306 -4.503 -7.429 554 HB3 TYR 69 2HB TYR 69 0.364 -3.978 -7.210 555 HD1 TYR 69 HD1 TYR 69 1.994 -5.478 -8.993 556 HD2 TYR 69 HD2 TYR 69 -2.018 -4.145 -9.658 557 HE1 TYR 69 HE1 TYR 69 2.359 -5.583 -11.419 558 HE2 TYR 69 HE2 TYR 69 -1.653 -4.263 -12.077 559 HH TYR 69 HH TYR 69 1.066 -5.784 -13.479 560 H PHE 70 H PHE 70 -2.174 -6.186 -5.626 561 HA PHE 70 HA PHE 70 -1.100 -4.982 -3.200 562 HB2 PHE 70 1HB PHE 70 -3.914 -5.495 -4.208 563 HB3 PHE 70 2HB PHE 70 -3.619 -4.944 -2.557 564 HD1 PHE 70 HD1 PHE 70 -3.181 -4.033 -6.151 565 HD2 PHE 70 HD2 PHE 70 -3.007 -2.664 -2.090 566 HE1 PHE 70 HE1 PHE 70 -2.899 -1.720 -6.931 567 HE2 PHE 70 HE2 PHE 70 -2.740 -0.357 -2.883 568 HZ PHE 70 HZ PHE 70 -2.677 0.115 -5.297 569 H LYS 71 H LYS 71 -0.954 -8.032 -4.083 570 HA LYS 71 HA LYS 71 -2.020 -9.596 -1.996 571 HB2 LYS 71 1HB LYS 71 -0.233 -11.269 -2.647 572 HB3 LYS 71 2HB LYS 71 -1.224 -10.704 -3.984 573 HG2 LYS 71 1HG LYS 71 0.566 -9.243 -4.780 574 HG3 LYS 71 2HG LYS 71 1.550 -9.621 -3.363 575 HD2 LYS 71 1HD LYS 71 2.361 -10.865 -5.306 576 HD3 LYS 71 2HD LYS 71 1.711 -11.982 -4.106 577 HE2 LYS 71 1HE LYS 71 -0.373 -12.191 -5.426 578 HE3 LYS 71 2HE LYS 71 0.249 -11.032 -6.601 579 HZ1 LYS 71 3HZ LYS 71 2.073 -12.596 -7.046 580 HZ2 LYS 71 1HZ LYS 71 0.551 -13.237 -7.410 581 HZ3 LYS 71 2HZ LYS 71 1.352 -13.709 -6.002 582 H ASP 72 H ASP 72 1.063 -7.868 -2.320 583 HA ASP 72 HA ASP 72 1.665 -8.162 0.553 584 HB2 ASP 72 1HB ASP 72 3.704 -8.623 -1.697 585 HB3 ASP 72 2HB ASP 72 4.097 -8.541 0.022 586 H LEU 73 H LEU 73 2.848 -6.456 1.378 587 HA LEU 73 HA LEU 73 2.616 -3.846 0.374 588 HB2 LEU 73 1HB LEU 73 2.983 -4.410 2.737 589 HB3 LEU 73 2HB LEU 73 4.557 -5.092 2.363 590 HG LEU 73 HG LEU 73 5.340 -2.800 1.688 591 HD11 LEU 73 1HD1 LEU 73 2.683 -1.857 2.801 592 HD12 LEU 73 2HD1 LEU 73 3.215 -1.762 1.119 593 HD13 LEU 73 3HD1 LEU 73 4.046 -0.824 2.356 594 HD21 LEU 73 3HD2 LEU 73 5.580 -1.951 3.972 595 HD22 LEU 73 1HD2 LEU 73 5.880 -3.683 3.870 596 HD23 LEU 73 2HD2 LEU 73 4.354 -3.090 4.531 597 H ASN 74 H ASN 74 5.216 -6.203 0.097 598 HA ASN 74 HA ASN 74 7.259 -4.812 -1.164 599 HB2 ASN 74 1HB ASN 74 7.154 -7.271 -0.340 600 HB3 ASN 74 2HB ASN 74 6.373 -7.652 -1.857 601 HD21 ASN 74 1HD2 ASN 74 9.333 -6.885 -0.286 602 HD22 ASN 74 2HD2 ASN 74 10.372 -7.141 -1.639 603 H ALA 75 H ALA 75 4.506 -6.513 -2.532 604 HA ALA 75 HA ALA 75 5.126 -5.991 -5.291 605 HB1 ALA 75 3HB ALA 75 4.165 -8.121 -4.503 606 HB2 ALA 75 1HB ALA 75 3.123 -7.349 -5.705 607 HB3 ALA 75 2HB ALA 75 2.706 -7.269 -3.988 608 H ILE 76 H ILE 76 3.220 -4.423 -2.828 609 HA ILE 76 HA ILE 76 1.643 -2.759 -4.558 610 HB ILE 76 HB ILE 76 2.491 -2.455 -1.645 611 HG12 ILE 76 1HG1 ILE 76 -0.190 -3.152 -2.914 612 HG13 ILE 76 2HG1 ILE 76 0.888 -4.276 -2.096 613 HG21 ILE 76 1HG2 ILE 76 0.576 -0.612 -3.128 614 HG22 ILE 76 2HG2 ILE 76 2.179 -0.175 -2.531 615 HG23 ILE 76 3HG2 ILE 76 0.899 -0.589 -1.391 616 HD11 ILE 76 3HD1 ILE 76 0.527 -3.038 0.003 617 HD12 ILE 76 1HD1 ILE 76 -0.949 -3.715 -0.679 618 HD13 ILE 76 2HD1 ILE 76 -0.618 -1.991 -0.843 619 H SER 77 H SER 77 4.794 -2.414 -2.931 620 HA SER 77 HA SER 77 5.228 0.319 -3.580 621 HB2 SER 77 1HB SER 77 6.357 -0.815 -1.696 622 HB3 SER 77 2HB SER 77 7.255 -1.825 -2.828 623 HG SER 77 HG SER 77 8.363 -0.035 -3.528 624 H ARG 78 H ARG 78 6.043 -2.733 -5.165 625 HA ARG 78 HA ARG 78 7.803 -1.775 -7.117 626 HB2 ARG 78 1HB ARG 78 7.676 -3.870 -8.147 627 HB3 ARG 78 2HB ARG 78 7.210 -4.241 -6.494 628 HG2 ARG 78 1HG ARG 78 4.812 -4.184 -7.208 629 HG3 ARG 78 2HG ARG 78 5.343 -3.939 -8.869 630 HD2 ARG 78 1HD ARG 78 5.908 -6.361 -7.137 631 HD3 ARG 78 2HD ARG 78 4.773 -6.285 -8.488 632 HE ARG 78 HE ARG 78 7.695 -6.354 -8.617 633 HH11 ARG 78 1HH1 ARG 78 4.681 -6.164 -10.441 634 HH12 ARG 78 2HH1 ARG 78 5.435 -6.588 -11.942 635 HH21 ARG 78 1HH2 ARG 78 8.638 -6.937 -10.573 636 HH22 ARG 78 2HH2 ARG 78 7.674 -7.026 -12.012 637 H THR 79 H THR 79 4.265 -1.899 -7.036 638 HA THR 79 HA THR 79 4.001 -1.134 -9.817 639 HB THR 79 HB THR 79 2.402 -2.750 -8.531 640 HG1 THR 79 HG1 THR 79 2.207 -1.563 -10.667 641 HG21 THR 79 3HG2 THR 79 1.775 -1.242 -6.644 642 HG22 THR 79 1HG2 THR 79 0.369 -1.744 -7.587 643 HG23 THR 79 2HG2 THR 79 1.036 -0.124 -7.795 644 H VAL 80 H VAL 80 3.923 0.406 -6.641 645 HA VAL 80 HA VAL 80 2.785 2.901 -7.292 646 HB VAL 80 HB VAL 80 4.877 2.106 -5.219 647 HG11 VAL 80 1HG1 VAL 80 3.605 4.866 -5.462 648 HG12 VAL 80 2HG1 VAL 80 5.308 4.485 -5.727 649 HG13 VAL 80 3HG1 VAL 80 4.606 4.315 -4.115 650 HG21 VAL 80 3HG2 VAL 80 3.038 2.411 -3.588 651 HG22 VAL 80 1HG2 VAL 80 2.603 1.232 -4.828 652 HG23 VAL 80 2HG2 VAL 80 1.944 2.868 -4.896 653 H GLU 81 H GLU 81 6.126 1.699 -7.571 654 HA GLU 81 HA GLU 81 7.381 4.076 -8.406 655 HB2 GLU 81 1HB GLU 81 8.112 1.186 -8.990 656 HB3 GLU 81 2HB GLU 81 9.174 2.563 -9.286 657 HG2 GLU 81 1HG GLU 81 9.084 3.078 -6.832 658 HG3 GLU 81 2HG GLU 81 8.175 1.589 -6.590 659 H GLN 82 H GLN 82 5.730 1.526 -10.223 660 HA GLN 82 HA GLN 82 6.556 2.521 -12.802 661 HB2 GLN 82 1HB GLN 82 6.042 0.100 -12.477 662 HB3 GLN 82 2HB GLN 82 4.346 0.512 -12.219 663 HG2 GLN 82 1HG GLN 82 4.384 1.603 -14.549 664 HG3 GLN 82 2HG GLN 82 5.968 0.866 -14.769 665 HE21 GLN 82 1HE2 GLN 82 3.522 0.506 -16.273 666 HE22 GLN 82 2HE2 GLN 82 3.151 -1.168 -16.215 667 H LEU 83 H LEU 83 3.567 2.645 -10.880 668 HA LEU 83 HA LEU 83 1.877 3.949 -12.712 669 HB2 LEU 83 1HB LEU 83 1.918 3.868 -9.674 670 HB3 LEU 83 2HB LEU 83 0.653 4.707 -10.558 671 HG LEU 83 HG LEU 83 1.249 1.734 -10.849 672 HD11 LEU 83 1HD1 LEU 83 -0.787 1.327 -9.554 673 HD12 LEU 83 2HD1 LEU 83 -0.944 3.056 -9.239 674 HD13 LEU 83 3HD1 LEU 83 0.440 2.162 -8.601 675 HD21 LEU 83 3HD2 LEU 83 0.237 2.680 -12.862 676 HD22 LEU 83 1HD2 LEU 83 -1.066 3.398 -11.906 677 HD23 LEU 83 2HD2 LEU 83 -0.916 1.644 -12.029 678 H LYS 84 H LYS 84 4.125 5.159 -10.301 679 HA LYS 84 HA LYS 84 3.807 7.907 -10.452 680 HB2 LYS 84 1HB LYS 84 5.283 6.778 -8.839 681 HB3 LYS 84 2HB LYS 84 6.329 6.230 -10.138 682 HG2 LYS 84 1HG LYS 84 6.963 8.597 -10.603 683 HG3 LYS 84 2HG LYS 84 5.939 9.116 -9.263 684 HD2 LYS 84 1HD LYS 84 8.353 8.993 -8.653 685 HD3 LYS 84 2HD LYS 84 7.348 7.936 -7.656 686 HE2 LYS 84 1HE LYS 84 8.063 5.983 -8.960 687 HE3 LYS 84 2HE LYS 84 8.970 7.016 -10.068 688 HZ1 LYS 84 3HZ LYS 84 10.380 5.957 -8.446 689 HZ2 LYS 84 1HZ LYS 84 9.519 6.670 -7.183 690 HZ3 LYS 84 2HZ LYS 84 10.410 7.633 -8.251 691 H ALA 85 H ALA 85 5.802 5.744 -12.449 692 HA ALA 85 HA ALA 85 6.951 7.750 -14.106 693 HB1 ALA 85 3HB ALA 85 8.042 5.574 -13.722 694 HB2 ALA 85 1HB ALA 85 7.793 5.859 -15.446 695 HB3 ALA 85 2HB ALA 85 6.730 4.752 -14.572 696 H GLU 86 H GLU 86 4.259 5.453 -14.629 697 HA GLU 86 HA GLU 86 3.749 5.929 -17.332 698 HB2 GLU 86 1HB GLU 86 1.850 5.019 -15.130 699 HB3 GLU 86 2HB GLU 86 1.458 4.963 -16.845 700 HG2 GLU 86 1HG GLU 86 3.333 3.365 -17.204 701 HG3 GLU 86 2HG GLU 86 3.678 3.399 -15.478 702 H SER 87 H SER 87 2.248 7.405 -14.447 703 HA SER 87 HA SER 87 0.506 9.138 -15.925 704 HB2 SER 87 1HB SER 87 -0.013 10.123 -13.693 705 HB3 SER 87 2HB SER 87 -0.116 8.363 -13.690 706 HG SER 87 HG SER 87 1.403 8.294 -12.268 707 H ALA 88 H ALA 88 3.760 9.436 -14.582 708 HA ALA 88 HA ALA 88 4.004 12.284 -14.931 709 HB1 ALA 88 3HB ALA 88 6.186 10.185 -14.592 710 HB2 ALA 88 1HB ALA 88 5.400 11.079 -13.291 711 HB3 ALA 88 2HB ALA 88 6.404 11.934 -14.462 712 H LEU 89 H LEU 89 4.346 9.527 -17.049 713 HA LEU 89 HA LEU 89 5.767 10.923 -19.150 714 HB2 LEU 89 1HB LEU 89 4.230 8.288 -19.149 715 HB3 LEU 89 2HB LEU 89 5.130 8.895 -20.530 716 HG LEU 89 HG LEU 89 6.342 8.150 -17.847 717 HD11 LEU 89 1HD1 LEU 89 7.365 6.246 -18.996 718 HD12 LEU 89 2HD1 LEU 89 6.488 6.657 -20.473 719 HD13 LEU 89 3HD1 LEU 89 5.603 6.161 -19.027 720 HD21 LEU 89 3HD2 LEU 89 7.627 9.955 -18.889 721 HD22 LEU 89 1HD2 LEU 89 7.751 9.031 -20.390 722 HD23 LEU 89 2HD2 LEU 89 8.538 8.451 -18.920 723 H GLU 90 H GLU 90 2.453 10.624 -18.115 724 HA GLU 90 HA GLU 90 1.330 11.647 -20.636 725 HB2 GLU 90 1HB GLU 90 0.008 10.747 -18.033 726 HB3 GLU 90 2HB GLU 90 -0.864 11.287 -19.466 727 HG2 GLU 90 1HG GLU 90 0.040 9.399 -20.752 728 HG3 GLU 90 2HG GLU 90 0.964 8.870 -19.346 729 H282 PNS 101 2H28 PNS 142 -12.991 -2.255 -6.570 730 H281 PNS 101 3H28 PNS 142 -12.139 -2.766 -5.126 731 H303 PNS 101 2H51 PNS 142 -14.604 -5.596 -7.199 732 H302 PNS 101 3H51 PNS 142 -14.510 -3.937 -7.782 733 H301 PNS 101 1H51 PNS 142 -15.352 -4.294 -6.260 734 H313 PNS 101 2H52 PNS 142 -14.032 -4.945 -4.225 735 H312 PNS 101 3H52 PNS 142 -13.295 -6.266 -5.128 736 H311 PNS 101 1H52 PNS 142 -12.262 -5.085 -4.315 737 H32 PNS 101 H32 PNS 142 -11.992 -4.068 -7.895 738 H33 PNS 101 H33 PNS 142 -10.034 -4.696 -6.956 739 H36 PNS 101 H36 PNS 142 -11.372 -6.737 -5.789 740 H372 PNS 101 2H37 PNS 142 -12.391 -8.913 -7.342 741 H371 PNS 101 3H37 PNS 142 -11.400 -8.983 -5.881 742 H382 PNS 101 2H38 PNS 142 -10.425 -8.429 -8.699 743 H381 PNS 101 3H38 PNS 142 -10.158 -9.903 -7.772 744 H41 PNS 101 H41 PNS 142 -9.858 -7.063 -5.842 745 H422 PNS 101 2H42 PNS 142 -6.929 -7.067 -5.844 746 H421 PNS 101 3H42 PNS 142 -7.882 -5.576 -5.943 747 H431 PNS 101 2H43 PNS 142 -8.028 -7.556 -3.649 748 H432 PNS 101 3H43 PNS 142 -7.163 -6.007 -3.617 749 H44 PNS 101 H44 PNS 142 -9.472 -4.462 -4.069 Start of MODEL 5 1 H1 MET 1 1H MET 1 12.471 8.903 0.710 2 H2 MET 1 2H MET 1 12.246 10.505 0.247 3 H3 MET 1 3H MET 1 13.801 9.847 0.289 4 HA MET 1 HA MET 1 11.622 8.985 -1.500 5 HB2 MET 1 1HB MET 1 12.480 11.247 -2.054 6 HB3 MET 1 2HB MET 1 14.124 10.622 -2.090 7 HG2 MET 1 1HG MET 1 13.330 10.912 -4.356 8 HG3 MET 1 2HG MET 1 13.489 9.184 -4.032 9 HE1 MET 1 3HE MET 1 10.367 9.432 -6.477 10 HE2 MET 1 1HE MET 1 12.002 8.802 -6.283 11 HE3 MET 1 2HE MET 1 11.744 10.535 -6.501 12 H ASP 2 H ASP 2 12.077 6.821 -0.685 13 HA ASP 2 HA ASP 2 14.428 5.537 -1.907 14 HB2 ASP 2 1HB ASP 2 13.698 5.214 1.050 15 HB3 ASP 2 2HB ASP 2 14.903 4.250 0.205 16 H GLY 3 H GLY 3 14.239 3.238 -2.099 17 HA2 GLY 3 1HA GLY 3 11.690 2.231 -2.798 18 HA3 GLY 3 2HA GLY 3 13.161 1.287 -2.643 19 H GLU 4 H GLU 4 13.675 1.745 0.117 20 HA GLU 4 HA GLU 4 11.817 -0.101 1.361 21 HB2 GLU 4 1HB GLU 4 13.324 0.037 3.311 22 HB3 GLU 4 2HB GLU 4 14.225 -0.261 1.828 23 HG2 GLU 4 1HG GLU 4 14.744 2.210 1.730 24 HG3 GLU 4 2HG GLU 4 14.002 2.371 3.323 25 H GLU 5 H GLU 5 12.055 3.331 1.124 26 HA GLU 5 HA GLU 5 10.878 4.039 3.638 27 HB2 GLU 5 1HB GLU 5 12.340 5.556 2.297 28 HB3 GLU 5 2HB GLU 5 11.074 5.664 1.077 29 HG2 GLU 5 1HG GLU 5 9.564 6.698 2.779 30 HG3 GLU 5 2HG GLU 5 10.878 6.628 3.953 31 H VAL 6 H VAL 6 9.654 3.734 0.279 32 HA VAL 6 HA VAL 6 6.973 4.488 0.788 33 HB VAL 6 HB VAL 6 7.793 4.433 -1.506 34 HG11 VAL 6 1HG1 VAL 6 9.362 2.544 -1.369 35 HG12 VAL 6 2HG1 VAL 6 8.272 2.348 -2.743 36 HG13 VAL 6 3HG1 VAL 6 8.013 1.412 -1.267 37 HG21 VAL 6 3HG2 VAL 6 5.922 3.301 -2.652 38 HG22 VAL 6 1HG2 VAL 6 5.360 4.132 -1.198 39 HG23 VAL 6 2HG2 VAL 6 5.571 2.383 -1.187 40 H LYS 7 H LYS 7 8.635 1.377 1.001 41 HA LYS 7 HA LYS 7 6.455 -0.296 1.551 42 HB2 LYS 7 1HB LYS 7 9.401 -0.432 2.274 43 HB3 LYS 7 2HB LYS 7 8.293 -1.721 2.733 44 HG2 LYS 7 1HG LYS 7 8.087 -2.522 0.580 45 HG3 LYS 7 2HG LYS 7 8.288 -0.937 -0.165 46 HD2 LYS 7 1HD LYS 7 10.166 -2.442 -0.707 47 HD3 LYS 7 2HD LYS 7 10.708 -1.040 0.211 48 HE2 LYS 7 1HE LYS 7 11.861 -3.002 1.025 49 HE3 LYS 7 2HE LYS 7 10.735 -2.462 2.268 50 HZ1 LYS 7 3HZ LYS 7 10.661 -4.832 2.023 51 HZ2 LYS 7 1HZ LYS 7 10.315 -4.698 0.374 52 HZ3 LYS 7 2HZ LYS 7 9.197 -4.166 1.514 53 H GLU 8 H GLU 8 8.641 1.441 3.809 54 HA GLU 8 HA GLU 8 7.422 0.671 6.222 55 HB2 GLU 8 1HB GLU 8 9.665 1.507 6.236 56 HB3 GLU 8 2HB GLU 8 9.212 2.965 5.362 57 HG2 GLU 8 1HG GLU 8 9.701 3.577 7.613 58 HG3 GLU 8 2HG GLU 8 7.974 3.738 7.353 59 H LYS 9 H LYS 9 6.839 3.485 4.114 60 HA LYS 9 HA LYS 9 5.158 4.965 5.801 61 HB2 LYS 9 1HB LYS 9 5.443 4.822 2.788 62 HB3 LYS 9 2HB LYS 9 4.220 5.858 3.522 63 HG2 LYS 9 1HG LYS 9 5.994 7.074 4.752 64 HG3 LYS 9 2HG LYS 9 7.222 6.064 3.975 65 HD2 LYS 9 1HD LYS 9 6.603 6.933 1.772 66 HD3 LYS 9 2HD LYS 9 5.252 7.837 2.467 67 HE2 LYS 9 1HE LYS 9 8.182 8.326 3.087 68 HE3 LYS 9 2HE LYS 9 7.205 9.286 1.977 69 HZ1 LYS 9 3HZ LYS 9 6.686 8.968 4.884 70 HZ2 LYS 9 1HZ LYS 9 5.779 9.907 3.811 71 HZ3 LYS 9 2HZ LYS 9 7.381 10.321 4.150 72 H ILE 10 H ILE 10 4.292 2.685 3.190 73 HA ILE 10 HA ILE 10 1.486 2.930 3.561 74 HB ILE 10 HB ILE 10 3.031 0.709 2.172 75 HG12 ILE 10 1HG1 ILE 10 1.772 3.198 0.934 76 HG13 ILE 10 2HG1 ILE 10 3.489 3.031 1.276 77 HG21 ILE 10 1HG2 ILE 10 0.936 0.267 0.915 78 HG22 ILE 10 2HG2 ILE 10 0.104 1.490 1.876 79 HG23 ILE 10 3HG2 ILE 10 0.706 0.024 2.651 80 HD11 ILE 10 3HD1 ILE 10 3.015 2.649 -1.066 81 HD12 ILE 10 1HD1 ILE 10 1.902 1.344 -0.663 82 HD13 ILE 10 2HD1 ILE 10 3.628 1.173 -0.322 83 H ARG 11 H ARG 11 3.928 0.633 4.823 84 HA ARG 11 HA ARG 11 2.137 -1.328 5.809 85 HB2 ARG 11 1HB ARG 11 3.999 -2.410 6.762 86 HB3 ARG 11 2HB ARG 11 4.702 -1.532 5.427 87 HG2 ARG 11 1HG ARG 11 6.297 -1.123 7.018 88 HG3 ARG 11 2HG ARG 11 5.257 0.269 7.260 89 HD2 ARG 11 1HD ARG 11 5.280 -0.309 9.451 90 HD3 ARG 11 2HD ARG 11 4.154 -1.580 8.999 91 HE ARG 11 HE ARG 11 5.844 -3.150 9.181 92 HH11 ARG 11 1HH1 ARG 11 7.183 0.028 9.602 93 HH12 ARG 11 2HH1 ARG 11 8.680 -0.531 10.262 94 HH21 ARG 11 1HH2 ARG 11 7.782 -3.936 10.113 95 HH22 ARG 11 2HH2 ARG 11 9.027 -2.813 10.558 96 H ARG 12 H ARG 12 3.407 1.655 7.080 97 HA ARG 12 HA ARG 12 2.726 1.163 9.810 98 HB2 ARG 12 1HB ARG 12 4.522 2.835 8.506 99 HB3 ARG 12 2HB ARG 12 3.282 3.985 8.978 100 HG2 ARG 12 1HG ARG 12 5.231 3.748 10.551 101 HG3 ARG 12 2HG ARG 12 3.651 3.516 11.308 102 HD2 ARG 12 1HD ARG 12 3.991 1.206 11.599 103 HD3 ARG 12 2HD ARG 12 5.137 1.110 10.255 104 HE ARG 12 HE ARG 12 6.336 2.680 12.219 105 HH11 ARG 12 1HH1 ARG 12 5.312 -0.657 11.821 106 HH12 ARG 12 2HH1 ARG 12 6.525 -1.289 12.884 107 HH21 ARG 12 1HH2 ARG 12 7.963 1.813 13.590 108 HH22 ARG 12 2HH2 ARG 12 8.021 0.097 13.885 109 H TYR 13 H TYR 13 1.341 2.935 7.089 110 HA TYR 13 HA TYR 13 -0.768 4.210 8.493 111 HB2 TYR 13 1HB TYR 13 -0.031 4.817 6.179 112 HB3 TYR 13 2HB TYR 13 -0.744 3.317 5.580 113 HD1 TYR 13 HD1 TYR 13 -1.704 6.318 7.641 114 HD2 TYR 13 HD2 TYR 13 -2.959 3.455 4.733 115 HE1 TYR 13 HE1 TYR 13 -3.832 7.488 7.419 116 HE2 TYR 13 HE2 TYR 13 -5.097 4.624 4.511 117 HH TYR 13 HH TYR 13 -6.513 6.148 5.807 118 H ILE 14 H ILE 14 -0.445 0.968 7.127 119 HA ILE 14 HA ILE 14 -3.151 0.157 7.417 120 HB ILE 14 HB ILE 14 -0.657 -1.601 7.557 121 HG12 ILE 14 1HG1 ILE 14 -2.316 -1.067 5.060 122 HG13 ILE 14 2HG1 ILE 14 -0.927 -0.073 5.470 123 HG21 ILE 14 1HG2 ILE 14 -2.675 -2.794 8.326 124 HG22 ILE 14 2HG2 ILE 14 -2.160 -3.421 6.761 125 HG23 ILE 14 3HG2 ILE 14 -3.536 -2.324 6.857 126 HD11 ILE 14 3HD1 ILE 14 0.520 -2.020 5.357 127 HD12 ILE 14 1HD1 ILE 14 -0.353 -1.762 3.846 128 HD13 ILE 14 2HD1 ILE 14 -0.867 -3.040 4.951 129 H MET 15 H MET 15 -0.457 0.410 9.632 130 HA MET 15 HA MET 15 -1.718 -0.962 11.852 131 HB2 MET 15 1HB MET 15 0.760 0.816 11.799 132 HB3 MET 15 2HB MET 15 0.313 -0.301 13.084 133 HG2 MET 15 1HG MET 15 0.696 -2.203 11.649 134 HG3 MET 15 2HG MET 15 0.937 -1.156 10.253 135 HE1 MET 15 3HE MET 15 3.855 -1.294 13.805 136 HE2 MET 15 1HE MET 15 2.334 -2.184 13.744 137 HE3 MET 15 2HE MET 15 2.325 -0.418 13.866 138 H GLU 16 H GLU 16 -1.461 2.333 10.683 139 HA GLU 16 HA GLU 16 -2.157 3.648 13.170 140 HB2 GLU 16 1HB GLU 16 -1.901 4.738 10.341 141 HB3 GLU 16 2HB GLU 16 -2.184 5.734 11.763 142 HG2 GLU 16 1HG GLU 16 0.272 4.039 11.261 143 HG3 GLU 16 2HG GLU 16 0.165 5.779 11.038 144 H ASP 17 H ASP 17 -3.733 3.287 9.998 145 HA ASP 17 HA ASP 17 -6.209 4.504 11.014 146 HB2 ASP 17 1HB ASP 17 -5.128 5.454 8.977 147 HB3 ASP 17 2HB ASP 17 -5.333 3.912 8.159 148 H LEU 18 H LEU 18 -5.173 1.702 9.047 149 HA LEU 18 HA LEU 18 -7.816 0.732 8.607 150 HB2 LEU 18 1HB LEU 18 -5.207 -0.778 8.250 151 HB3 LEU 18 2HB LEU 18 -6.744 -1.134 7.474 152 HG LEU 18 HG LEU 18 -4.932 1.254 6.935 153 HD11 LEU 18 1HD1 LEU 18 -5.782 -1.037 5.146 154 HD12 LEU 18 2HD1 LEU 18 -4.199 -0.815 5.893 155 HD13 LEU 18 3HD1 LEU 18 -4.761 0.327 4.684 156 HD21 LEU 18 3HD2 LEU 18 -7.241 2.047 6.833 157 HD22 LEU 18 1HD2 LEU 18 -7.679 0.725 5.745 158 HD23 LEU 18 2HD2 LEU 18 -6.545 1.976 5.219 159 H ILE 19 H ILE 19 -5.128 -0.684 10.443 160 HA ILE 19 HA ILE 19 -6.972 -2.369 12.009 161 HB ILE 19 HB ILE 19 -3.922 -2.458 11.901 162 HG12 ILE 19 1HG1 ILE 19 -5.894 -4.164 10.310 163 HG13 ILE 19 2HG1 ILE 19 -4.871 -2.900 9.634 164 HG21 ILE 19 1HG2 ILE 19 -5.869 -4.566 12.882 165 HG22 ILE 19 2HG2 ILE 19 -4.873 -3.531 13.908 166 HG23 ILE 19 3HG2 ILE 19 -4.109 -4.716 12.846 167 HD11 ILE 19 3HD1 ILE 19 -3.939 -5.496 10.862 168 HD12 ILE 19 1HD1 ILE 19 -2.879 -4.206 10.282 169 HD13 ILE 19 2HD1 ILE 19 -3.936 -5.057 9.155 170 H GLY 20 H GLY 20 -6.635 -2.419 14.352 171 HA2 GLY 20 1HA GLY 20 -5.811 0.203 15.454 172 HA3 GLY 20 2HA GLY 20 -7.101 -0.785 16.100 173 HA PRO 21 HA PRO 21 -3.900 -2.055 18.930 174 HB2 PRO 21 1HB PRO 21 -5.330 -3.703 20.550 175 HB3 PRO 21 2HB PRO 21 -5.641 -1.957 20.486 176 HG2 PRO 21 1HG PRO 21 -7.204 -4.187 19.266 177 HG3 PRO 21 2HG PRO 21 -7.777 -2.657 19.956 178 HD2 PRO 21 1HD PRO 21 -7.422 -3.180 17.204 179 HD3 PRO 21 2HD PRO 21 -7.625 -1.573 17.926 180 H SER 22 H SER 22 -5.276 -4.181 16.669 181 HA SER 22 HA SER 22 -3.651 -6.526 17.368 182 HB2 SER 22 1HB SER 22 -6.025 -6.780 16.589 183 HB3 SER 22 2HB SER 22 -5.582 -6.064 15.039 184 HG SER 22 HG SER 22 -4.578 -7.853 14.478 185 H ALA 23 H ALA 23 -2.265 -4.081 16.698 186 HA ALA 23 HA ALA 23 -0.894 -4.760 14.177 187 HB1 ALA 23 3HB ALA 23 -0.795 -2.346 13.618 188 HB2 ALA 23 1HB ALA 23 -1.843 -1.984 14.993 189 HB3 ALA 23 2HB ALA 23 -2.456 -2.943 13.644 190 H LYS 24 H LYS 24 0.452 -5.758 15.862 191 HA LYS 24 HA LYS 24 2.051 -4.326 17.667 192 HB2 LYS 24 1HB LYS 24 2.595 -6.888 16.112 193 HB3 LYS 24 2HB LYS 24 3.784 -6.225 17.224 194 HG2 LYS 24 1HG LYS 24 2.566 -8.036 18.249 195 HG3 LYS 24 2HG LYS 24 2.229 -6.524 19.088 196 HD2 LYS 24 1HD LYS 24 -0.003 -6.434 18.304 197 HD3 LYS 24 2HD LYS 24 0.331 -7.497 16.939 198 HE2 LYS 24 1HE LYS 24 -1.054 -8.610 18.619 199 HE3 LYS 24 2HE LYS 24 0.504 -9.410 18.444 200 HZ1 LYS 24 3HZ LYS 24 1.247 -8.415 20.455 201 HZ2 LYS 24 1HZ LYS 24 -0.232 -9.168 20.758 202 HZ3 LYS 24 2HZ LYS 24 -0.149 -7.485 20.601 203 H GLU 25 H GLU 25 4.366 -3.844 17.412 204 HA GLU 25 HA GLU 25 5.154 -2.057 15.527 205 HB2 GLU 25 1HB GLU 25 7.534 -2.693 16.117 206 HB3 GLU 25 2HB GLU 25 6.484 -2.414 17.503 207 HG2 GLU 25 1HG GLU 25 6.135 -4.894 17.658 208 HG3 GLU 25 2HG GLU 25 7.350 -5.094 16.396 209 H ASP 26 H ASP 26 5.292 -5.582 15.187 210 HA ASP 26 HA ASP 26 6.050 -5.256 12.340 211 HB2 ASP 26 1HB ASP 26 7.357 -7.096 14.375 212 HB3 ASP 26 2HB ASP 26 7.508 -7.358 12.639 213 H GLU 27 H GLU 27 3.447 -5.744 13.579 214 HA GLU 27 HA GLU 27 2.654 -8.376 12.761 215 HB2 GLU 27 1HB GLU 27 1.223 -5.867 13.561 216 HB3 GLU 27 2HB GLU 27 0.333 -6.877 12.431 217 HG2 GLU 27 1HG GLU 27 1.430 -7.799 15.092 218 HG3 GLU 27 2HG GLU 27 -0.233 -7.312 14.794 219 H LEU 28 H LEU 28 2.739 -5.184 11.243 220 HA LEU 28 HA LEU 28 2.143 -6.326 8.622 221 HB2 LEU 28 1HB LEU 28 2.426 -3.505 9.691 222 HB3 LEU 28 2HB LEU 28 2.478 -3.789 7.964 223 HG LEU 28 HG LEU 28 0.223 -3.130 8.609 224 HD11 LEU 28 1HD1 LEU 28 -1.087 -4.981 7.700 225 HD12 LEU 28 2HD1 LEU 28 0.281 -6.079 7.907 226 HD13 LEU 28 3HD1 LEU 28 0.393 -4.724 6.779 227 HD21 LEU 28 3HD2 LEU 28 0.252 -3.830 10.959 228 HD22 LEU 28 1HD2 LEU 28 0.171 -5.523 10.466 229 HD23 LEU 28 2HD2 LEU 28 -1.180 -4.429 10.130 230 H ASP 29 H ASP 29 3.730 -7.301 7.692 231 HA ASP 29 HA ASP 29 6.489 -6.202 7.663 232 HB2 ASP 29 1HB ASP 29 6.280 -8.487 8.633 233 HB3 ASP 29 2HB ASP 29 5.425 -9.035 7.205 234 H ASP 30 H ASP 30 7.568 -6.863 5.488 235 HA ASP 30 HA ASP 30 6.069 -5.467 3.451 236 HB2 ASP 30 1HB ASP 30 8.163 -5.404 2.202 237 HB3 ASP 30 2HB ASP 30 8.396 -4.875 3.860 238 H GLN 31 H GLN 31 6.688 -8.719 4.230 239 HA GLN 31 HA GLN 31 5.653 -9.623 1.599 240 HB2 GLN 31 1HB GLN 31 7.445 -11.117 3.577 241 HB3 GLN 31 2HB GLN 31 6.675 -11.858 2.174 242 HG2 GLN 31 1HG GLN 31 7.910 -10.197 0.720 243 HG3 GLN 31 2HG GLN 31 8.800 -9.697 2.155 244 HE21 GLN 31 1HE2 GLN 31 8.234 -12.298 -0.104 245 HE22 GLN 31 2HE2 GLN 31 9.631 -13.232 0.295 246 H THR 32 H THR 32 4.553 -8.869 4.545 247 HA THR 32 HA THR 32 2.980 -11.041 5.339 248 HB THR 32 HB THR 32 2.601 -8.059 5.670 249 HG1 THR 32 HG1 THR 32 3.792 -10.068 7.049 250 HG21 THR 32 3HG2 THR 32 0.794 -10.200 6.812 251 HG22 THR 32 1HG2 THR 32 0.325 -8.967 5.641 252 HG23 THR 32 2HG2 THR 32 0.789 -8.499 7.280 253 HA PRO 33 HA PRO 33 0.229 -11.191 1.766 254 HB2 PRO 33 1HB PRO 33 -1.323 -13.278 2.607 255 HB3 PRO 33 2HB PRO 33 0.341 -13.514 2.040 256 HG2 PRO 33 1HG PRO 33 -0.672 -13.365 4.867 257 HG3 PRO 33 2HG PRO 33 0.497 -14.502 4.153 258 HD2 PRO 33 1HD PRO 33 1.268 -12.307 5.595 259 HD3 PRO 33 2HD PRO 33 2.254 -12.986 4.278 260 H LEU 34 H LEU 34 -0.496 -9.090 2.387 261 HA LEU 34 HA LEU 34 -2.179 -8.321 4.464 262 HB2 LEU 34 1HB LEU 34 -2.089 -7.110 1.674 263 HB3 LEU 34 2HB LEU 34 -2.562 -6.289 3.155 264 HG LEU 34 HG LEU 34 0.259 -7.259 2.518 265 HD11 LEU 34 1HD1 LEU 34 0.838 -4.905 2.246 266 HD12 LEU 34 2HD1 LEU 34 -0.850 -4.442 2.481 267 HD13 LEU 34 3HD1 LEU 34 -0.383 -5.409 1.076 268 HD21 LEU 34 3HD2 LEU 34 0.963 -5.993 4.491 269 HD22 LEU 34 1HD2 LEU 34 -0.173 -7.268 4.926 270 HD23 LEU 34 2HD2 LEU 34 -0.718 -5.590 4.855 271 H LEU 35 H LEU 35 -2.922 -9.331 1.173 272 HA LEU 35 HA LEU 35 -5.711 -8.828 1.242 273 HB2 LEU 35 1HB LEU 35 -4.143 -9.007 -0.783 274 HB3 LEU 35 2HB LEU 35 -4.284 -10.747 -0.623 275 HG LEU 35 HG LEU 35 -6.745 -10.573 -1.005 276 HD11 LEU 35 1HD1 LEU 35 -7.151 -8.351 -0.090 277 HD12 LEU 35 2HD1 LEU 35 -7.727 -8.436 -1.751 278 HD13 LEU 35 3HD1 LEU 35 -6.209 -7.608 -1.387 279 HD21 LEU 35 3HD2 LEU 35 -5.250 -10.963 -2.917 280 HD22 LEU 35 1HD2 LEU 35 -5.111 -9.219 -3.175 281 HD23 LEU 35 2HD2 LEU 35 -6.670 -10.031 -3.384 282 H GLU 36 H GLU 36 -3.733 -11.694 1.829 283 HA GLU 36 HA GLU 36 -5.903 -13.559 2.041 284 HB2 GLU 36 1HB GLU 36 -3.044 -13.856 3.059 285 HB3 GLU 36 2HB GLU 36 -4.193 -15.155 2.763 286 HG2 GLU 36 1HG GLU 36 -2.926 -13.364 0.669 287 HG3 GLU 36 2HG GLU 36 -2.536 -15.054 0.974 288 H TRP 37 H TRP 37 -4.194 -11.453 4.258 289 HA TRP 37 HA TRP 37 -5.245 -12.470 6.708 290 HB2 TRP 37 1HB TRP 37 -3.964 -9.843 5.876 291 HB3 TRP 37 2HB TRP 37 -4.682 -10.004 7.476 292 HD1 TRP 37 HD1 TRP 37 -2.704 -12.943 5.938 293 HE1 TRP 37 HE1 TRP 37 -0.586 -13.306 7.341 294 HE3 TRP 37 HE3 TRP 37 -3.020 -8.824 8.974 295 HZ2 TRP 37 HZ2 TRP 37 0.775 -12.032 9.453 296 HZ3 TRP 37 HZ3 TRP 37 -1.251 -8.466 10.659 297 HH2 TRP 37 HH2 TRP 37 0.604 -10.039 10.886 298 H GLY 38 H GLY 38 -6.664 -10.729 4.124 299 HA2 GLY 38 1HA GLY 38 -8.861 -10.182 3.762 300 HA3 GLY 38 2HA GLY 38 -9.259 -10.731 5.381 301 H ILE 39 H ILE 39 -6.729 -8.483 5.417 302 HA ILE 39 HA ILE 39 -8.385 -6.536 6.768 303 HB ILE 39 HB ILE 39 -6.289 -5.308 7.222 304 HG12 ILE 39 1HG1 ILE 39 -4.927 -7.383 5.429 305 HG13 ILE 39 2HG1 ILE 39 -5.115 -5.678 5.062 306 HG21 ILE 39 1HG2 ILE 39 -5.139 -7.021 8.577 307 HG22 ILE 39 2HG2 ILE 39 -5.986 -8.297 7.702 308 HG23 ILE 39 3HG2 ILE 39 -6.894 -7.167 8.710 309 HD11 ILE 39 3HD1 ILE 39 -2.862 -6.160 5.743 310 HD12 ILE 39 1HD1 ILE 39 -3.430 -6.851 7.263 311 HD13 ILE 39 2HD1 ILE 39 -3.636 -5.128 6.945 312 H LEU 40 H LEU 40 -7.449 -7.045 3.501 313 HA LEU 40 HA LEU 40 -7.891 -4.201 2.760 314 HB2 LEU 40 1HB LEU 40 -6.653 -6.396 1.040 315 HB3 LEU 40 2HB LEU 40 -6.816 -4.703 0.612 316 HG LEU 40 HG LEU 40 -4.914 -5.917 2.648 317 HD11 LEU 40 1HD1 LEU 40 -3.183 -4.917 1.206 318 HD12 LEU 40 2HD1 LEU 40 -4.428 -4.354 0.085 319 HD13 LEU 40 3HD1 LEU 40 -4.176 -6.086 0.337 320 HD21 LEU 40 3HD2 LEU 40 -5.414 -2.959 2.155 321 HD22 LEU 40 1HD2 LEU 40 -4.105 -3.635 3.132 322 HD23 LEU 40 2HD2 LEU 40 -5.778 -3.852 3.635 323 H ASN 41 H ASN 41 -10.198 -4.268 2.742 324 HA ASN 41 HA ASN 41 -11.299 -5.643 0.336 325 HB2 ASN 41 1HB ASN 41 -13.493 -5.447 1.239 326 HB3 ASN 41 2HB ASN 41 -12.504 -5.996 2.582 327 HD21 ASN 41 1HD2 ASN 41 -15.097 -4.517 2.372 328 HD22 ASN 41 2HD2 ASN 41 -14.899 -3.139 3.396 329 H SER 42 H SER 42 -13.315 -3.931 -0.404 330 HA SER 42 HA SER 42 -11.903 -1.933 -1.813 331 HB2 SER 42 2HB SER 42 -14.075 -3.088 -2.490 332 HB3 SER 42 1HB SER 42 -14.920 -1.956 -1.422 333 H MET 43 H MET 43 -14.041 -1.747 1.024 334 HA MET 43 HA MET 43 -14.124 1.073 1.277 335 HB2 MET 43 1HB MET 43 -14.532 -1.096 3.378 336 HB3 MET 43 2HB MET 43 -14.886 0.612 3.639 337 HG2 MET 43 1HG MET 43 -16.224 -1.194 1.612 338 HG3 MET 43 2HG MET 43 -16.929 -0.633 3.128 339 HE1 MET 43 3HE MET 43 -17.192 3.274 2.369 340 HE2 MET 43 1HE MET 43 -15.836 2.443 3.129 341 HE3 MET 43 2HE MET 43 -17.491 2.028 3.578 342 H ASN 44 H ASN 44 -11.784 -1.297 2.235 343 HA ASN 44 HA ASN 44 -10.302 0.370 4.085 344 HB2 ASN 44 1HB ASN 44 -10.363 -2.033 4.440 345 HB3 ASN 44 2HB ASN 44 -9.754 -2.339 2.820 346 HD21 ASN 44 1HD2 ASN 44 -8.937 -1.598 6.060 347 HD22 ASN 44 2HD2 ASN 44 -7.229 -1.667 5.857 348 H ILE 45 H ILE 45 -9.842 -0.882 0.787 349 HA ILE 45 HA ILE 45 -7.113 -0.210 0.596 350 HB ILE 45 HB ILE 45 -8.289 -2.004 -0.722 351 HG12 ILE 45 1HG1 ILE 45 -6.741 -0.040 -2.463 352 HG13 ILE 45 2HG1 ILE 45 -5.989 -1.151 -1.322 353 HG21 ILE 45 1HG2 ILE 45 -10.295 -0.774 -1.436 354 HG22 ILE 45 2HG2 ILE 45 -9.444 -1.412 -2.843 355 HG23 ILE 45 3HG2 ILE 45 -9.314 0.302 -2.434 356 HD11 ILE 45 3HD1 ILE 45 -6.852 -3.044 -2.599 357 HD12 ILE 45 1HD1 ILE 45 -5.854 -1.975 -3.581 358 HD13 ILE 45 2HD1 ILE 45 -7.606 -1.928 -3.740 359 H VAL 46 H VAL 46 -9.997 1.613 -0.107 360 HA VAL 46 HA VAL 46 -8.910 3.561 -1.847 361 HB VAL 46 HB VAL 46 -10.913 4.922 -1.253 362 HG11 VAL 46 1HG1 VAL 46 -11.112 3.240 -3.024 363 HG12 VAL 46 2HG1 VAL 46 -12.627 3.348 -2.127 364 HG13 VAL 46 3HG1 VAL 46 -11.524 1.999 -1.835 365 HG21 VAL 46 3HG2 VAL 46 -11.562 2.710 0.744 366 HG22 VAL 46 1HG2 VAL 46 -12.640 4.043 0.309 367 HG23 VAL 46 2HG2 VAL 46 -11.125 4.369 1.152 368 H LYS 47 H LYS 47 -8.830 3.238 1.683 369 HA LYS 47 HA LYS 47 -7.880 5.885 2.210 370 HB2 LYS 47 1HB LYS 47 -7.823 3.374 3.910 371 HB3 LYS 47 2HB LYS 47 -7.157 4.911 4.459 372 HG2 LYS 47 1HG LYS 47 -9.222 5.281 5.315 373 HG3 LYS 47 2HG LYS 47 -9.662 5.713 3.668 374 HD2 LYS 47 1HD LYS 47 -11.346 4.231 4.354 375 HD3 LYS 47 2HD LYS 47 -10.294 3.214 3.371 376 HE2 LYS 47 1HE LYS 47 -9.310 2.223 5.332 377 HE3 LYS 47 2HE LYS 47 -10.110 3.381 6.396 378 HZ1 LYS 47 3HZ LYS 47 -12.211 2.407 5.884 379 HZ2 LYS 47 1HZ LYS 47 -11.153 1.185 6.352 380 HZ3 LYS 47 2HZ LYS 47 -11.533 1.389 4.725 381 H LEU 48 H LEU 48 -6.304 2.758 1.572 382 HA LEU 48 HA LEU 48 -3.618 3.671 1.853 383 HB2 LEU 48 1HB LEU 48 -4.829 1.381 0.256 384 HB3 LEU 48 2HB LEU 48 -3.096 1.680 0.310 385 HG LEU 48 HG LEU 48 -4.834 1.014 2.717 386 HD11 LEU 48 1HD1 LEU 48 -3.729 -1.147 2.752 387 HD12 LEU 48 2HD1 LEU 48 -2.804 -0.739 1.303 388 HD13 LEU 48 3HD1 LEU 48 -4.560 -0.919 1.213 389 HD21 LEU 48 3HD2 LEU 48 -1.818 1.348 2.547 390 HD22 LEU 48 1HD2 LEU 48 -2.733 0.838 3.967 391 HD23 LEU 48 2HD2 LEU 48 -2.940 2.466 3.328 392 H MET 49 H MET 49 -5.881 3.562 -0.870 393 HA MET 49 HA MET 49 -4.215 4.227 -2.985 394 HB2 MET 49 1HB MET 49 -6.551 3.343 -3.140 395 HB3 MET 49 2HB MET 49 -7.163 4.892 -2.581 396 HG2 MET 49 1HG MET 49 -6.128 5.937 -4.617 397 HG3 MET 49 2HG MET 49 -5.752 4.311 -5.187 398 HE1 MET 49 3HE MET 49 -9.433 2.823 -5.533 399 HE2 MET 49 1HE MET 49 -8.408 2.727 -4.102 400 HE3 MET 49 2HE MET 49 -7.719 2.461 -5.708 401 H VAL 50 H VAL 50 -6.030 6.287 -0.731 402 HA VAL 50 HA VAL 50 -5.264 8.757 -2.031 403 HB VAL 50 HB VAL 50 -6.432 9.939 -0.220 404 HG11 VAL 50 1HG1 VAL 50 -8.057 7.599 -1.303 405 HG12 VAL 50 2HG1 VAL 50 -7.779 9.141 -2.113 406 HG13 VAL 50 3HG1 VAL 50 -8.730 9.088 -0.629 407 HG21 VAL 50 3HG2 VAL 50 -5.852 8.476 1.693 408 HG22 VAL 50 1HG2 VAL 50 -6.901 7.210 1.057 409 HG23 VAL 50 2HG2 VAL 50 -7.597 8.735 1.614 410 H TYR 51 H TYR 51 -4.194 6.848 0.755 411 HA TYR 51 HA TYR 51 -2.524 8.652 2.089 412 HB2 TYR 51 1HB TYR 51 -3.033 6.420 3.014 413 HB3 TYR 51 2HB TYR 51 -2.192 5.649 1.686 414 HD1 TYR 51 HD1 TYR 51 -1.616 7.976 4.577 415 HD2 TYR 51 HD2 TYR 51 0.171 5.176 1.876 416 HE1 TYR 51 HE1 TYR 51 0.490 8.123 5.823 417 HE2 TYR 51 HE2 TYR 51 2.267 5.312 3.131 418 HH TYR 51 HH TYR 51 2.529 6.681 6.181 419 H ILE 52 H ILE 52 -1.723 6.291 -0.392 420 HA ILE 52 HA ILE 52 1.001 6.975 -0.772 421 HB ILE 52 HB ILE 52 -0.963 5.529 -2.595 422 HG12 ILE 52 1HG1 ILE 52 1.028 4.117 -0.799 423 HG13 ILE 52 2HG1 ILE 52 -0.484 4.682 -0.104 424 HG21 ILE 52 1HG2 ILE 52 1.034 6.196 -3.845 425 HG22 ILE 52 2HG2 ILE 52 1.024 4.449 -3.602 426 HG23 ILE 52 3HG2 ILE 52 2.074 5.470 -2.616 427 HD11 ILE 52 3HD1 ILE 52 -0.249 2.782 -2.428 428 HD12 ILE 52 1HD1 ILE 52 -1.737 3.321 -1.633 429 HD13 ILE 52 2HD1 ILE 52 -0.563 2.346 -0.747 430 H ARG 53 H ARG 53 -2.021 8.054 -2.260 431 HA ARG 53 HA ARG 53 -0.944 9.623 -4.354 432 HB2 ARG 53 1HB ARG 53 -3.277 8.897 -4.334 433 HB3 ARG 53 2HB ARG 53 -3.594 9.842 -2.879 434 HG2 ARG 53 1HG ARG 53 -3.180 11.927 -4.131 435 HG3 ARG 53 2HG ARG 53 -2.822 10.986 -5.581 436 HD2 ARG 53 1HD ARG 53 -5.080 10.200 -5.732 437 HD3 ARG 53 2HD ARG 53 -5.484 10.857 -4.139 438 HE ARG 53 HE ARG 53 -4.833 13.087 -5.292 439 HH11 ARG 53 1HH1 ARG 53 -6.618 10.489 -6.815 440 HH12 ARG 53 2HH1 ARG 53 -7.476 11.556 -7.886 441 HH21 ARG 53 1HH2 ARG 53 -5.960 14.465 -6.651 442 HH22 ARG 53 2HH2 ARG 53 -7.103 13.817 -7.789 443 H ASP 54 H ASP 54 -1.463 10.320 -0.929 444 HA ASP 54 HA ASP 54 -0.820 13.138 -1.165 445 HB2 ASP 54 1HB ASP 54 -0.885 11.364 1.322 446 HB3 ASP 54 2HB ASP 54 -0.810 13.123 1.317 447 H GLU 55 H GLU 55 0.827 10.323 0.275 448 HA GLU 55 HA GLU 55 3.207 11.731 0.952 449 HB2 GLU 55 1HB GLU 55 2.557 8.759 0.875 450 HB3 GLU 55 2HB GLU 55 4.044 9.415 1.548 451 HG2 GLU 55 1HG GLU 55 1.285 10.154 2.563 452 HG3 GLU 55 2HG GLU 55 2.250 8.836 3.222 453 H MET 56 H MET 56 2.761 8.972 -1.310 454 HA MET 56 HA MET 56 5.325 9.437 -2.560 455 HB2 MET 56 1HB MET 56 3.226 7.306 -2.760 456 HB3 MET 56 2HB MET 56 4.334 7.475 -4.114 457 HG2 MET 56 1HG MET 56 5.051 5.761 -2.524 458 HG3 MET 56 2HG MET 56 6.229 7.058 -2.680 459 HE1 MET 56 3HE MET 56 2.874 6.941 -0.592 460 HE2 MET 56 1HE MET 56 3.492 6.427 0.978 461 HE3 MET 56 2HE MET 56 3.563 5.324 -0.400 462 H GLY 57 H GLY 57 2.110 10.491 -3.103 463 HA2 GLY 57 1HA GLY 57 1.203 11.891 -4.670 464 HA3 GLY 57 2HA GLY 57 2.769 11.996 -5.460 465 H VAL 58 H VAL 58 1.070 8.975 -4.823 466 HA VAL 58 HA VAL 58 0.847 8.487 -7.751 467 HB VAL 58 HB VAL 58 1.228 6.423 -5.538 468 HG11 VAL 58 1HG1 VAL 58 1.682 4.820 -7.375 469 HG12 VAL 58 2HG1 VAL 58 1.331 6.075 -8.564 470 HG13 VAL 58 3HG1 VAL 58 0.051 5.491 -7.496 471 HG21 VAL 58 3HG2 VAL 58 3.547 6.177 -6.348 472 HG22 VAL 58 1HG2 VAL 58 3.240 7.803 -5.728 473 HG23 VAL 58 2HG2 VAL 58 3.296 7.517 -7.469 474 H SER 59 H SER 59 -1.261 8.683 -8.302 475 HA SER 59 HA SER 59 -3.416 7.689 -6.607 476 HB2 SER 59 1HB SER 59 -4.862 8.425 -8.569 477 HB3 SER 59 2HB SER 59 -3.891 9.705 -7.850 478 HG SER 59 HG SER 59 -3.273 8.260 -10.225 479 H ILE 60 H ILE 60 -3.636 5.512 -6.543 480 HA ILE 60 HA ILE 60 -2.754 3.790 -8.707 481 HB ILE 60 HB ILE 60 -4.192 2.981 -6.135 482 HG12 ILE 60 1HG1 ILE 60 -1.845 2.074 -5.491 483 HG13 ILE 60 2HG1 ILE 60 -1.209 3.088 -6.775 484 HG21 ILE 60 1HG2 ILE 60 -3.415 0.683 -6.655 485 HG22 ILE 60 2HG2 ILE 60 -2.740 1.252 -8.183 486 HG23 ILE 60 3HG2 ILE 60 -4.485 1.306 -7.913 487 HD11 ILE 60 3HD1 ILE 60 -0.965 4.089 -4.580 488 HD12 ILE 60 1HD1 ILE 60 -2.713 4.048 -4.350 489 HD13 ILE 60 2HD1 ILE 60 -2.010 5.066 -5.610 490 HA PRO 61 HA PRO 61 -6.899 4.316 -10.545 491 HB2 PRO 61 1HB PRO 61 -6.470 2.866 -12.841 492 HB3 PRO 61 2HB PRO 61 -5.808 4.496 -12.608 493 HG2 PRO 61 1HG PRO 61 -4.430 1.848 -12.206 494 HG3 PRO 61 2HG PRO 61 -3.852 3.295 -13.064 495 HD2 PRO 61 1HD PRO 61 -3.060 2.762 -10.538 496 HD3 PRO 61 2HD PRO 61 -3.335 4.435 -11.089 497 H SER 62 H SER 62 -8.692 2.910 -11.180 498 HA SER 62 HA SER 62 -9.073 0.786 -9.331 499 HB2 SER 62 1HB SER 62 -11.308 0.559 -10.449 500 HB3 SER 62 2HB SER 62 -10.929 2.209 -9.963 501 HG SER 62 HG SER 62 -10.821 2.814 -11.984 502 H THR 63 H THR 63 -8.012 0.859 -12.671 503 HA THR 63 HA THR 63 -8.496 -1.909 -13.245 504 HB THR 63 HB THR 63 -8.289 -0.194 -15.045 505 HG1 THR 63 HG1 THR 63 -7.883 -2.435 -15.475 506 HG21 THR 63 3HG2 THR 63 -6.422 1.154 -14.118 507 HG22 THR 63 1HG2 THR 63 -6.087 0.624 -15.769 508 HG23 THR 63 2HG2 THR 63 -5.313 -0.189 -14.408 509 H HIS 64 H HIS 64 -5.978 -0.200 -11.554 510 HA HIS 64 HA HIS 64 -4.129 -2.498 -11.577 511 HB2 HIS 64 1HB HIS 64 -3.879 0.414 -10.798 512 HB3 HIS 64 2HB HIS 64 -2.824 -0.746 -9.995 513 HD1 HIS 64 HD1 HIS 64 -3.641 0.464 -13.516 514 HD2 HIS 64 HD2 HIS 64 -0.624 -1.506 -11.448 515 HE1 HIS 64 HE1 HIS 64 -1.745 0.229 -15.145 516 HE2 HIS 64 HE2 HIS 64 -0.041 -1.160 -13.926 517 H ILE 65 H ILE 65 -6.846 -1.666 -9.875 518 HA ILE 65 HA ILE 65 -5.981 -2.648 -7.271 519 HB ILE 65 HB ILE 65 -8.838 -2.199 -8.234 520 HG12 ILE 65 1HG1 ILE 65 -7.581 -0.074 -8.329 521 HG13 ILE 65 2HG1 ILE 65 -8.773 -0.031 -7.039 522 HG21 ILE 65 1HG2 ILE 65 -9.393 -2.147 -5.802 523 HG22 ILE 65 2HG2 ILE 65 -7.719 -2.551 -5.423 524 HG23 ILE 65 3HG2 ILE 65 -8.725 -3.704 -6.298 525 HD11 ILE 65 3HD1 ILE 65 -6.703 1.021 -6.391 526 HD12 ILE 65 1HD1 ILE 65 -5.810 -0.466 -6.699 527 HD13 ILE 65 2HD1 ILE 65 -7.002 -0.403 -5.397 528 H THR 66 H THR 66 -5.204 -4.665 -7.653 529 HA THR 66 HA THR 66 -7.122 -6.805 -8.041 530 HB THR 66 HB THR 66 -6.407 -6.361 -10.372 531 HG1 THR 66 HG1 THR 66 -6.695 -8.446 -10.423 532 HG21 THR 66 3HG2 THR 66 -4.080 -6.786 -11.089 533 HG22 THR 66 1HG2 THR 66 -3.598 -6.987 -9.403 534 HG23 THR 66 2HG2 THR 66 -4.171 -5.418 -9.976 535 H GLY 67 H GLY 67 -6.057 -8.944 -7.679 536 HA2 GLY 67 1HA GLY 67 -4.783 -8.891 -5.140 537 HA3 GLY 67 2HA GLY 67 -5.147 -10.316 -6.098 538 H LYS 68 H LYS 68 -3.518 -9.149 -8.384 539 HA LYS 68 HA LYS 68 -1.039 -10.380 -7.867 540 HB2 LYS 68 1HB LYS 68 -1.904 -10.084 -10.131 541 HB3 LYS 68 2HB LYS 68 -1.811 -8.334 -9.988 542 HG2 LYS 68 1HG LYS 68 0.637 -8.416 -9.977 543 HG3 LYS 68 2HG LYS 68 0.608 -10.181 -9.928 544 HD2 LYS 68 1HD LYS 68 1.123 -9.346 -12.194 545 HD3 LYS 68 2HD LYS 68 -0.386 -10.259 -12.176 546 HE2 LYS 68 1HE LYS 68 -1.636 -8.085 -12.119 547 HE3 LYS 68 2HE LYS 68 -0.095 -7.232 -12.241 548 HZ1 LYS 68 3HZ LYS 68 -1.164 -7.438 -14.371 549 HZ2 LYS 68 1HZ LYS 68 -1.205 -9.120 -14.235 550 HZ3 LYS 68 2HZ LYS 68 0.276 -8.319 -14.368 551 H TYR 69 H TYR 69 -2.060 -7.005 -7.569 552 HA TYR 69 HA TYR 69 0.623 -6.098 -6.822 553 HB2 TYR 69 1HB TYR 69 -1.984 -4.557 -7.164 554 HB3 TYR 69 2HB TYR 69 -0.420 -3.821 -6.807 555 HD1 TYR 69 HD1 TYR 69 1.517 -4.752 -8.547 556 HD2 TYR 69 HD2 TYR 69 -2.641 -4.374 -9.420 557 HE1 TYR 69 HE1 TYR 69 2.032 -4.611 -10.939 558 HE2 TYR 69 HE2 TYR 69 -2.130 -4.240 -11.813 559 HH TYR 69 HH TYR 69 1.046 -4.854 -13.060 560 H PHE 70 H PHE 70 -2.635 -6.391 -5.372 561 HA PHE 70 HA PHE 70 -1.627 -5.244 -2.859 562 HB2 PHE 70 1HB PHE 70 -4.435 -5.730 -3.921 563 HB3 PHE 70 2HB PHE 70 -4.114 -5.160 -2.284 564 HD1 PHE 70 HD2 PHE 70 -3.037 -2.938 -1.911 565 HD2 PHE 70 HD1 PHE 70 -4.180 -4.226 -5.833 566 HE1 PHE 70 HE2 PHE 70 -2.824 -0.634 -2.728 567 HE2 PHE 70 HE1 PHE 70 -3.957 -1.915 -6.643 568 HZ PHE 70 HZ PHE 70 -3.288 -0.112 -5.091 569 H LYS 71 H LYS 71 -1.023 -8.047 -3.738 570 HA LYS 71 HA LYS 71 -2.239 -9.753 -1.746 571 HB2 LYS 71 1HB LYS 71 -0.421 -11.391 -2.422 572 HB3 LYS 71 2HB LYS 71 -1.467 -10.863 -3.732 573 HG2 LYS 71 1HG LYS 71 0.266 -9.381 -4.601 574 HG3 LYS 71 2HG LYS 71 1.303 -9.722 -3.212 575 HD2 LYS 71 1HD LYS 71 2.078 -10.968 -5.162 576 HD3 LYS 71 2HD LYS 71 1.485 -12.087 -3.932 577 HE2 LYS 71 1HE LYS 71 -0.632 -12.345 -5.191 578 HE3 LYS 71 2HE LYS 71 -0.062 -11.196 -6.402 579 HZ1 LYS 71 3HZ LYS 71 0.264 -13.414 -7.188 580 HZ2 LYS 71 1HZ LYS 71 1.101 -13.849 -5.785 581 HZ3 LYS 71 2HZ LYS 71 1.781 -12.744 -6.861 582 H ASP 72 H ASP 72 0.893 -8.093 -2.176 583 HA ASP 72 HA ASP 72 1.502 -8.318 0.708 584 HB2 ASP 72 1HB ASP 72 3.619 -8.658 -1.477 585 HB3 ASP 72 2HB ASP 72 3.867 -8.789 0.262 586 H LEU 73 H LEU 73 3.073 -6.718 1.390 587 HA LEU 73 HA LEU 73 2.552 -4.090 0.467 588 HB2 LEU 73 1HB LEU 73 3.160 -4.633 2.783 589 HB3 LEU 73 2HB LEU 73 4.735 -5.208 2.257 590 HG LEU 73 HG LEU 73 5.204 -2.822 1.436 591 HD11 LEU 73 1HD1 LEU 73 2.910 -2.017 1.329 592 HD12 LEU 73 2HD1 LEU 73 3.880 -1.005 2.395 593 HD13 LEU 73 3HD1 LEU 73 2.745 -2.172 3.082 594 HD21 LEU 73 3HD2 LEU 73 6.252 -3.662 3.443 595 HD22 LEU 73 1HD2 LEU 73 4.826 -3.267 4.408 596 HD23 LEU 73 2HD2 LEU 73 5.786 -1.987 3.671 597 H ASN 74 H ASN 74 5.227 -6.363 -0.176 598 HA ASN 74 HA ASN 74 6.921 -4.600 -1.617 599 HB2 ASN 74 1HB ASN 74 6.599 -7.625 -1.743 600 HB3 ASN 74 2HB ASN 74 7.810 -6.769 -2.699 601 HD21 ASN 74 1HD2 ASN 74 8.315 -8.759 -0.718 602 HD22 ASN 74 2HD2 ASN 74 9.251 -8.009 0.530 603 H ALA 75 H ALA 75 4.294 -6.743 -2.659 604 HA ALA 75 HA ALA 75 4.565 -6.271 -5.458 605 HB1 ALA 75 3HB ALA 75 2.202 -7.305 -3.866 606 HB2 ALA 75 1HB ALA 75 3.496 -8.289 -4.554 607 HB3 ALA 75 2HB ALA 75 2.392 -7.414 -5.619 608 H ILE 76 H ILE 76 2.778 -4.682 -2.857 609 HA ILE 76 HA ILE 76 1.289 -2.849 -4.464 610 HB ILE 76 HB ILE 76 2.187 -2.724 -1.556 611 HG12 ILE 76 1HG1 ILE 76 -0.523 -3.313 -2.799 612 HG13 ILE 76 2HG1 ILE 76 0.545 -4.489 -2.049 613 HG21 ILE 76 1HG2 ILE 76 0.620 -0.867 -1.178 614 HG22 ILE 76 2HG2 ILE 76 0.268 -0.790 -2.904 615 HG23 ILE 76 3HG2 ILE 76 1.886 -0.400 -2.315 616 HD11 ILE 76 3HD1 ILE 76 -1.260 -3.958 -0.571 617 HD12 ILE 76 1HD1 ILE 76 -0.904 -2.232 -0.668 618 HD13 ILE 76 2HD1 ILE 76 0.238 -3.330 0.115 619 H SER 77 H SER 77 4.448 -2.639 -2.803 620 HA SER 77 HA SER 77 4.828 0.139 -3.318 621 HB2 SER 77 1HB SER 77 7.144 -0.266 -2.434 622 HB3 SER 77 2HB SER 77 5.889 -0.898 -1.377 623 HG SER 77 HG SER 77 6.932 -2.650 -3.275 624 H ARG 78 H ARG 78 5.679 -2.814 -5.039 625 HA ARG 78 HA ARG 78 7.699 -1.679 -6.691 626 HB2 ARG 78 1HB ARG 78 7.700 -3.722 -7.939 627 HB3 ARG 78 2HB ARG 78 7.485 -4.138 -6.243 628 HG2 ARG 78 1HG ARG 78 5.118 -4.553 -6.595 629 HG3 ARG 78 2HG ARG 78 5.237 -4.028 -8.276 630 HD2 ARG 78 1HD ARG 78 6.614 -6.445 -7.052 631 HD3 ARG 78 2HD ARG 78 5.203 -6.484 -8.117 632 HE ARG 78 HE ARG 78 7.209 -5.112 -9.472 633 HH11 ARG 78 1HH1 ARG 78 6.732 -8.405 -8.323 634 HH12 ARG 78 2HH1 ARG 78 7.745 -9.093 -9.549 635 HH21 ARG 78 1HH2 ARG 78 8.538 -6.036 -11.045 636 HH22 ARG 78 2HH2 ARG 78 8.766 -7.754 -11.085 637 H THR 79 H THR 79 4.174 -2.049 -7.014 638 HA THR 79 HA THR 79 4.160 -1.004 -9.711 639 HB THR 79 HB THR 79 2.375 -2.622 -8.897 640 HG1 THR 79 HG1 THR 79 2.251 -1.010 -10.736 641 HG21 THR 79 3HG2 THR 79 1.211 -0.151 -7.553 642 HG22 THR 79 1HG2 THR 79 1.812 -1.596 -6.723 643 HG23 THR 79 2HG2 THR 79 0.389 -1.701 -7.759 644 H VAL 80 H VAL 80 3.745 0.270 -6.404 645 HA VAL 80 HA VAL 80 2.671 2.799 -7.002 646 HB VAL 80 HB VAL 80 4.432 1.842 -4.715 647 HG11 VAL 80 1HG1 VAL 80 4.992 4.214 -4.947 648 HG12 VAL 80 2HG1 VAL 80 3.985 3.985 -3.515 649 HG13 VAL 80 3HG1 VAL 80 3.279 4.639 -4.993 650 HG21 VAL 80 3HG2 VAL 80 2.370 2.079 -3.365 651 HG22 VAL 80 1HG2 VAL 80 2.105 1.012 -4.747 652 HG23 VAL 80 2HG2 VAL 80 1.506 2.670 -4.786 653 H GLU 81 H GLU 81 6.049 1.712 -6.826 654 HA GLU 81 HA GLU 81 7.272 4.210 -7.362 655 HB2 GLU 81 1HB GLU 81 8.338 1.384 -7.768 656 HB3 GLU 81 2HB GLU 81 9.323 2.842 -7.811 657 HG2 GLU 81 1HG GLU 81 7.816 1.774 -5.406 658 HG3 GLU 81 2HG GLU 81 9.548 1.695 -5.675 659 H GLN 82 H GLN 82 6.175 1.586 -9.449 660 HA GLN 82 HA GLN 82 7.321 2.582 -11.889 661 HB2 GLN 82 1HB GLN 82 6.745 0.186 -11.597 662 HB3 GLN 82 2HB GLN 82 5.040 0.601 -11.491 663 HG2 GLN 82 1HG GLN 82 5.574 -0.289 -13.714 664 HG3 GLN 82 2HG GLN 82 5.076 1.401 -13.835 665 HE21 GLN 82 1HE2 GLN 82 6.121 1.698 -15.822 666 HE22 GLN 82 2HE2 GLN 82 7.838 1.762 -15.977 667 H LEU 83 H LEU 83 4.115 2.738 -10.424 668 HA LEU 83 HA LEU 83 2.775 4.146 -12.480 669 HB2 LEU 83 1HB LEU 83 2.160 3.821 -9.519 670 HB3 LEU 83 2HB LEU 83 1.083 4.646 -10.630 671 HG LEU 83 HG LEU 83 1.800 1.697 -10.641 672 HD11 LEU 83 1HD1 LEU 83 -0.563 1.315 -10.167 673 HD12 LEU 83 2HD1 LEU 83 -0.846 3.057 -10.110 674 HD13 LEU 83 3HD1 LEU 83 0.201 2.292 -8.911 675 HD21 LEU 83 3HD2 LEU 83 1.640 2.419 -12.958 676 HD22 LEU 83 1HD2 LEU 83 0.079 3.182 -12.643 677 HD23 LEU 83 2HD2 LEU 83 0.249 1.428 -12.532 678 H LYS 84 H LYS 84 4.644 5.091 -9.653 679 HA LYS 84 HA LYS 84 4.145 7.870 -9.612 680 HB2 LYS 84 1HB LYS 84 5.273 6.528 -7.806 681 HB3 LYS 84 2HB LYS 84 6.689 6.372 -8.832 682 HG2 LYS 84 1HG LYS 84 7.131 8.758 -8.696 683 HG3 LYS 84 2HG LYS 84 5.600 9.030 -7.854 684 HD2 LYS 84 1HD LYS 84 7.481 9.078 -6.274 685 HD3 LYS 84 2HD LYS 84 6.410 7.723 -5.923 686 HE2 LYS 84 1HE LYS 84 8.021 6.225 -7.167 687 HE3 LYS 84 2HE LYS 84 9.106 7.609 -7.326 688 HZ1 LYS 84 3HZ LYS 84 9.749 6.275 -5.472 689 HZ2 LYS 84 1HZ LYS 84 8.200 6.340 -4.811 690 HZ3 LYS 84 2HZ LYS 84 9.144 7.738 -4.884 691 H ALA 85 H ALA 85 6.481 5.874 -11.354 692 HA ALA 85 HA ALA 85 8.054 7.978 -12.469 693 HB1 ALA 85 3HB ALA 85 8.956 5.708 -12.175 694 HB2 ALA 85 1HB ALA 85 9.053 6.198 -13.870 695 HB3 ALA 85 2HB ALA 85 7.792 5.078 -13.342 696 H GLU 86 H GLU 86 5.380 5.982 -13.657 697 HA GLU 86 HA GLU 86 5.335 7.038 -16.314 698 HB2 GLU 86 1HB GLU 86 3.134 5.532 -14.831 699 HB3 GLU 86 2HB GLU 86 3.213 5.799 -16.566 700 HG2 GLU 86 1HG GLU 86 5.071 4.082 -14.907 701 HG3 GLU 86 2HG GLU 86 3.865 3.519 -16.053 702 H SER 87 H SER 87 3.553 7.728 -13.321 703 HA SER 87 HA SER 87 1.737 9.645 -14.423 704 HB2 SER 87 1HB SER 87 1.232 8.395 -12.319 705 HB3 SER 87 2HB SER 87 2.563 9.216 -11.506 706 HG SER 87 HG SER 87 0.865 10.407 -10.970 707 H ALA 88 H ALA 88 5.064 9.840 -13.373 708 HA ALA 88 HA ALA 88 5.244 12.632 -12.917 709 HB1 ALA 88 3HB ALA 88 7.378 10.733 -13.945 710 HB2 ALA 88 1HB ALA 88 7.006 11.049 -12.250 711 HB3 ALA 88 2HB ALA 88 7.657 12.340 -13.263 712 H LEU 89 H LEU 89 5.459 10.658 -15.853 713 HA LEU 89 HA LEU 89 5.809 12.963 -17.616 714 HB2 LEU 89 1HB LEU 89 5.646 9.957 -18.103 715 HB3 LEU 89 2HB LEU 89 5.671 11.111 -19.425 716 HG LEU 89 HG LEU 89 7.888 10.213 -19.160 717 HD11 LEU 89 1HD1 LEU 89 9.232 12.210 -18.828 718 HD12 LEU 89 2HD1 LEU 89 7.866 13.034 -18.068 719 HD13 LEU 89 3HD1 LEU 89 7.786 12.566 -19.770 720 HD21 LEU 89 3HD2 LEU 89 7.755 9.431 -16.855 721 HD22 LEU 89 1HD2 LEU 89 7.844 11.091 -16.264 722 HD23 LEU 89 2HD2 LEU 89 9.218 10.375 -17.118 723 H GLU 90 H GLU 90 3.231 10.884 -16.464 724 HA GLU 90 HA GLU 90 1.293 12.155 -18.321 725 HB2 GLU 90 1HB GLU 90 1.132 9.478 -16.862 726 HB3 GLU 90 2HB GLU 90 -0.160 10.169 -17.838 727 HG2 GLU 90 1HG GLU 90 1.274 10.040 -19.839 728 HG3 GLU 90 2HG GLU 90 2.579 9.366 -18.866 729 H282 PNS 101 2H28 PNS 142 -13.607 -2.488 -6.768 730 H281 PNS 101 3H28 PNS 142 -12.692 -2.024 -5.333 731 H303 PNS 101 2H51 PNS 142 -11.980 -3.794 -3.681 732 H302 PNS 101 3H51 PNS 142 -12.336 -5.489 -3.996 733 H301 PNS 101 1H51 PNS 142 -13.646 -4.373 -3.567 734 H313 PNS 101 2H52 PNS 142 -11.731 -4.024 -7.378 735 H312 PNS 101 3H52 PNS 142 -10.879 -3.597 -5.898 736 H311 PNS 101 1H52 PNS 142 -11.210 -5.292 -6.258 737 H32 PNS 101 H32 PNS 142 -14.929 -4.957 -5.717 738 H33 PNS 101 H33 PNS 142 -14.447 -4.000 -7.741 739 H36 PNS 101 H36 PNS 142 -12.504 -6.539 -7.654 740 H372 PNS 101 2H37 PNS 142 -12.740 -9.061 -7.619 741 H371 PNS 101 3H37 PNS 142 -12.397 -8.913 -5.894 742 H382 PNS 101 2H38 PNS 142 -10.559 -8.116 -8.182 743 H381 PNS 101 3H38 PNS 142 -10.352 -9.492 -7.098 744 H41 PNS 101 H41 PNS 142 -11.008 -8.170 -4.643 745 H422 PNS 101 2H42 PNS 142 -8.510 -6.968 -3.947 746 H421 PNS 101 3H42 PNS 142 -9.819 -5.785 -4.007 747 H431 PNS 101 2H43 PNS 142 -9.791 -8.295 -2.296 748 H432 PNS 101 3H43 PNS 142 -9.529 -6.639 -1.721 749 H44 PNS 101 H44 PNS 142 -12.422 -7.777 -3.186 Start of MODEL 6 1 H1 MET 1 1H MET 1 10.669 8.378 -0.554 2 H2 MET 1 2H MET 1 10.720 9.975 -1.093 3 H3 MET 1 3H MET 1 12.093 9.002 -1.218 4 HA MET 1 HA MET 1 9.549 8.543 -2.640 5 HB2 MET 1 1HB MET 1 12.121 9.901 -3.445 6 HB3 MET 1 2HB MET 1 11.180 9.064 -4.670 7 HG2 MET 1 1HG MET 1 10.084 11.286 -2.930 8 HG3 MET 1 2HG MET 1 10.737 11.495 -4.564 9 HE1 MET 1 3HE MET 1 7.751 12.410 -3.825 10 HE2 MET 1 1HE MET 1 6.879 11.796 -5.232 11 HE3 MET 1 2HE MET 1 8.451 12.566 -5.440 12 H ASP 2 H ASP 2 11.756 6.825 -1.069 13 HA ASP 2 HA ASP 2 12.415 4.933 -3.249 14 HB2 ASP 2 1HB ASP 2 13.793 5.429 -0.577 15 HB3 ASP 2 2HB ASP 2 14.212 4.099 -1.656 16 H GLY 3 H GLY 3 12.398 2.674 -2.800 17 HA2 GLY 3 1HA GLY 3 9.845 1.832 -2.271 18 HA3 GLY 3 2HA GLY 3 11.231 0.767 -2.375 19 H GLU 4 H GLU 4 12.614 1.453 -0.025 20 HA GLU 4 HA GLU 4 11.205 -0.079 1.905 21 HB2 GLU 4 1HB GLU 4 13.126 0.454 3.404 22 HB3 GLU 4 2HB GLU 4 13.617 -0.158 1.829 23 HG2 GLU 4 1HG GLU 4 14.237 2.062 1.084 24 HG3 GLU 4 2HG GLU 4 13.599 2.786 2.562 25 H GLU 5 H GLU 5 11.608 3.394 1.450 26 HA GLU 5 HA GLU 5 10.498 4.254 3.948 27 HB2 GLU 5 1HB GLU 5 11.950 5.727 2.555 28 HB3 GLU 5 2HB GLU 5 10.730 5.719 1.287 29 HG2 GLU 5 1HG GLU 5 9.148 6.729 3.097 30 HG3 GLU 5 2HG GLU 5 10.621 7.067 3.992 31 H VAL 6 H VAL 6 9.284 3.843 0.640 32 HA VAL 6 HA VAL 6 6.616 4.634 0.885 33 HB VAL 6 HB VAL 6 7.879 2.495 -0.900 34 HG11 VAL 6 1HG1 VAL 6 5.872 2.640 -2.373 35 HG12 VAL 6 2HG1 VAL 6 5.073 3.642 -1.159 36 HG13 VAL 6 3HG1 VAL 6 5.496 1.974 -0.782 37 HG21 VAL 6 3HG2 VAL 6 7.821 4.225 -2.671 38 HG22 VAL 6 1HG2 VAL 6 8.753 4.765 -1.273 39 HG23 VAL 6 2HG2 VAL 6 7.119 5.374 -1.530 40 H LYS 7 H LYS 7 8.071 1.431 1.339 41 HA LYS 7 HA LYS 7 5.715 0.027 1.990 42 HB2 LYS 7 1HB LYS 7 8.664 -0.537 2.437 43 HB3 LYS 7 2HB LYS 7 7.436 -1.642 3.055 44 HG2 LYS 7 1HG LYS 7 6.536 -1.893 0.759 45 HG3 LYS 7 2HG LYS 7 7.812 -0.846 0.152 46 HD2 LYS 7 1HD LYS 7 8.291 -3.498 1.557 47 HD3 LYS 7 2HD LYS 7 8.226 -3.292 -0.196 48 HE2 LYS 7 1HE LYS 7 10.147 -1.760 -0.102 49 HE3 LYS 7 2HE LYS 7 10.208 -1.930 1.655 50 HZ1 LYS 7 3HZ LYS 7 10.664 -4.274 1.372 51 HZ2 LYS 7 1HZ LYS 7 11.820 -3.330 0.574 52 HZ3 LYS 7 2HZ LYS 7 10.609 -4.113 -0.315 53 H GLU 8 H GLU 8 8.144 1.603 4.095 54 HA GLU 8 HA GLU 8 7.062 0.775 6.581 55 HB2 GLU 8 1HB GLU 8 9.341 1.550 6.525 56 HB3 GLU 8 2HB GLU 8 8.910 3.020 5.656 57 HG2 GLU 8 1HG GLU 8 9.514 3.623 7.882 58 HG3 GLU 8 2HG GLU 8 7.783 3.853 7.688 59 H LYS 9 H LYS 9 6.464 3.639 4.565 60 HA LYS 9 HA LYS 9 4.740 5.018 6.322 61 HB2 LYS 9 1HB LYS 9 5.098 5.038 3.314 62 HB3 LYS 9 2HB LYS 9 3.897 6.059 4.092 63 HG2 LYS 9 1HG LYS 9 5.685 7.147 5.415 64 HG3 LYS 9 2HG LYS 9 6.890 6.140 4.600 65 HD2 LYS 9 1HD LYS 9 6.278 7.145 2.429 66 HD3 LYS 9 2HD LYS 9 5.031 8.115 3.220 67 HE2 LYS 9 1HE LYS 9 8.009 8.310 3.753 68 HE3 LYS 9 2HE LYS 9 7.071 9.433 2.768 69 HZ1 LYS 9 3HZ LYS 9 5.776 9.987 4.731 70 HZ2 LYS 9 1HZ LYS 9 7.421 10.291 4.982 71 HZ3 LYS 9 2HZ LYS 9 6.699 8.926 5.666 72 H ILE 10 H ILE 10 3.976 2.875 3.550 73 HA ILE 10 HA ILE 10 1.163 3.018 3.804 74 HB ILE 10 HB ILE 10 2.851 0.859 2.471 75 HG12 ILE 10 1HG1 ILE 10 1.437 3.263 1.245 76 HG13 ILE 10 2HG1 ILE 10 3.160 3.190 1.592 77 HG21 ILE 10 1HG2 ILE 10 0.577 -0.008 2.905 78 HG22 ILE 10 2HG2 ILE 10 0.814 0.259 1.179 79 HG23 ILE 10 3HG2 ILE 10 -0.127 1.413 2.125 80 HD11 ILE 10 3HD1 ILE 10 2.737 2.814 -0.742 81 HD12 ILE 10 1HD1 ILE 10 1.671 1.460 -0.374 82 HD13 ILE 10 2HD1 ILE 10 3.398 1.352 -0.012 83 H ARG 11 H ARG 11 3.549 0.694 5.072 84 HA ARG 11 HA ARG 11 1.757 -1.314 5.941 85 HB2 ARG 11 1HB ARG 11 3.626 -2.359 6.978 86 HB3 ARG 11 2HB ARG 11 4.324 -1.490 5.632 87 HG2 ARG 11 1HG ARG 11 5.884 -0.955 7.201 88 HG3 ARG 11 2HG ARG 11 4.760 0.367 7.475 89 HD2 ARG 11 1HD ARG 11 4.901 -0.255 9.657 90 HD3 ARG 11 2HD ARG 11 3.775 -1.530 9.210 91 HE ARG 11 HE ARG 11 5.460 -3.073 9.400 92 HH11 ARG 11 1HH1 ARG 11 6.861 0.125 9.528 93 HH12 ARG 11 2HH1 ARG 11 8.410 -0.437 10.038 94 HH21 ARG 11 1HH2 ARG 11 7.488 -3.817 10.137 95 HH22 ARG 11 2HH2 ARG 11 8.774 -2.673 10.385 96 H ARG 12 H ARG 12 2.992 1.630 7.316 97 HA ARG 12 HA ARG 12 2.190 1.136 10.004 98 HB2 ARG 12 1HB ARG 12 4.021 2.858 8.792 99 HB3 ARG 12 2HB ARG 12 2.734 3.975 9.221 100 HG2 ARG 12 1HG ARG 12 4.542 3.818 10.905 101 HG3 ARG 12 2HG ARG 12 2.959 3.377 11.568 102 HD2 ARG 12 1HD ARG 12 3.515 1.003 11.385 103 HD3 ARG 12 2HD ARG 12 5.035 1.396 10.571 104 HE ARG 12 HE ARG 12 4.875 2.626 13.146 105 HH11 ARG 12 1HH1 ARG 12 5.508 -0.477 11.627 106 HH12 ARG 12 2HH1 ARG 12 6.496 -1.048 12.933 107 HH21 ARG 12 1HH2 ARG 12 6.222 1.873 14.822 108 HH22 ARG 12 2HH2 ARG 12 6.899 0.276 14.734 109 H TYR 13 H TYR 13 0.888 2.927 7.242 110 HA TYR 13 HA TYR 13 -1.284 4.162 8.608 111 HB2 TYR 13 1HB TYR 13 -0.414 4.864 6.352 112 HB3 TYR 13 2HB TYR 13 -1.130 3.408 5.657 113 HD1 TYR 13 HD1 TYR 13 -2.119 6.342 7.798 114 HD2 TYR 13 HD2 TYR 13 -3.291 3.643 4.709 115 HE1 TYR 13 HE1 TYR 13 -4.214 7.571 7.520 116 HE2 TYR 13 HE2 TYR 13 -5.385 4.871 4.430 117 HH TYR 13 HH TYR 13 -6.851 6.321 5.883 118 H ILE 14 H ILE 14 -0.853 1.001 7.110 119 HA ILE 14 HA ILE 14 -3.532 0.086 7.278 120 HB ILE 14 HB ILE 14 -0.962 -1.556 7.420 121 HG12 ILE 14 1HG1 ILE 14 -2.640 -1.087 4.925 122 HG13 ILE 14 2HG1 ILE 14 -1.314 -0.018 5.355 123 HG21 ILE 14 1HG2 ILE 14 -3.795 -2.432 6.734 124 HG22 ILE 14 2HG2 ILE 14 -2.870 -2.891 8.166 125 HG23 ILE 14 3HG2 ILE 14 -2.354 -3.446 6.574 126 HD11 ILE 14 3HD1 ILE 14 -1.087 -2.968 4.777 127 HD12 ILE 14 1HD1 ILE 14 0.238 -1.896 5.246 128 HD13 ILE 14 2HD1 ILE 14 -0.609 -1.635 3.721 129 H MET 15 H MET 15 -0.865 0.239 9.580 130 HA MET 15 HA MET 15 -2.183 -1.230 11.705 131 HB2 MET 15 1HB MET 15 0.286 0.569 11.822 132 HB3 MET 15 2HB MET 15 -0.174 -0.650 13.011 133 HG2 MET 15 1HG MET 15 0.288 -2.431 11.490 134 HG3 MET 15 2HG MET 15 0.419 -1.320 10.134 135 HE1 MET 15 3HE MET 15 3.557 -1.945 13.403 136 HE2 MET 15 1HE MET 15 1.925 -2.622 13.365 137 HE3 MET 15 2HE MET 15 2.164 -0.909 13.754 138 H GLU 16 H GLU 16 -2.051 2.068 10.618 139 HA GLU 16 HA GLU 16 -2.787 3.328 13.137 140 HB2 GLU 16 1HB GLU 16 -2.307 4.394 10.321 141 HB3 GLU 16 2HB GLU 16 -2.888 5.423 11.621 142 HG2 GLU 16 1HG GLU 16 -0.269 3.898 11.660 143 HG3 GLU 16 2HG GLU 16 -0.447 5.612 11.249 144 H ASP 17 H ASP 17 -4.260 3.443 9.862 145 HA ASP 17 HA ASP 17 -6.707 4.534 11.003 146 HB2 ASP 17 1HB ASP 17 -5.624 5.546 8.992 147 HB3 ASP 17 2HB ASP 17 -5.926 4.064 8.099 148 H LEU 18 H LEU 18 -5.631 1.548 9.492 149 HA LEU 18 HA LEU 18 -8.350 0.676 8.842 150 HB2 LEU 18 1HB LEU 18 -5.792 -0.867 8.316 151 HB3 LEU 18 2HB LEU 18 -7.336 -1.043 7.511 152 HG LEU 18 HG LEU 18 -5.267 1.142 7.148 153 HD11 LEU 18 1HD1 LEU 18 -5.362 0.492 4.798 154 HD12 LEU 18 2HD1 LEU 18 -6.560 -0.749 5.173 155 HD13 LEU 18 3HD1 LEU 18 -4.927 -0.858 5.838 156 HD21 LEU 18 3HD2 LEU 18 -8.129 1.277 6.136 157 HD22 LEU 18 1HD2 LEU 18 -6.811 2.327 5.599 158 HD23 LEU 18 2HD2 LEU 18 -7.348 2.372 7.274 159 H ILE 19 H ILE 19 -5.554 -0.895 10.418 160 HA ILE 19 HA ILE 19 -7.341 -2.697 11.937 161 HB ILE 19 HB ILE 19 -4.294 -2.850 11.826 162 HG12 ILE 19 1HG1 ILE 19 -6.147 -4.224 9.828 163 HG13 ILE 19 2HG1 ILE 19 -5.113 -2.847 9.459 164 HG21 ILE 19 1HG2 ILE 19 -6.362 -5.030 12.277 165 HG22 ILE 19 2HG2 ILE 19 -5.401 -4.245 13.529 166 HG23 ILE 19 3HG2 ILE 19 -4.608 -5.240 12.309 167 HD11 ILE 19 3HD1 ILE 19 -4.178 -5.592 10.306 168 HD12 ILE 19 1HD1 ILE 19 -3.128 -4.200 10.018 169 HD13 ILE 19 2HD1 ILE 19 -4.075 -4.881 8.698 170 H GLY 20 H GLY 20 -6.682 -3.097 14.271 171 HA2 GLY 20 1HA GLY 20 -5.385 -0.765 15.578 172 HA3 GLY 20 2HA GLY 20 -6.738 -1.641 16.266 173 HA PRO 21 HA PRO 21 -3.609 -3.801 18.564 174 HB2 PRO 21 1HB PRO 21 -5.100 -5.758 19.769 175 HB3 PRO 21 2HB PRO 21 -5.294 -4.041 20.165 176 HG2 PRO 21 1HG PRO 21 -6.989 -5.762 18.406 177 HG3 PRO 21 2HG PRO 21 -7.485 -4.515 19.567 178 HD2 PRO 21 1HD PRO 21 -7.328 -4.103 16.832 179 HD3 PRO 21 2HD PRO 21 -7.210 -2.802 18.029 180 H SER 22 H SER 22 -5.362 -5.537 16.109 181 HA SER 22 HA SER 22 -3.807 -7.952 16.110 182 HB2 SER 22 1HB SER 22 -6.112 -7.881 15.225 183 HB3 SER 22 2HB SER 22 -5.614 -6.742 13.978 184 HG SER 22 HG SER 22 -4.044 -8.584 13.452 185 H ALA 23 H ALA 23 -3.046 -4.830 15.226 186 HA ALA 23 HA ALA 23 -0.891 -5.650 13.376 187 HB1 ALA 23 3HB ALA 23 -1.015 -3.364 12.439 188 HB2 ALA 23 1HB ALA 23 -2.425 -3.034 13.454 189 HB3 ALA 23 2HB ALA 23 -2.521 -4.263 12.191 190 H LYS 24 H LYS 24 0.077 -6.124 15.484 191 HA LYS 24 HA LYS 24 0.924 -4.084 17.236 192 HB2 LYS 24 1HB LYS 24 2.336 -6.709 16.606 193 HB3 LYS 24 2HB LYS 24 2.663 -5.670 17.993 194 HG2 LYS 24 1HG LYS 24 0.231 -6.074 18.661 195 HG3 LYS 24 2HG LYS 24 0.229 -7.358 17.451 196 HD2 LYS 24 1HD LYS 24 2.124 -7.152 19.804 197 HD3 LYS 24 2HD LYS 24 0.720 -8.206 19.726 198 HE2 LYS 24 1HE LYS 24 3.085 -8.398 17.830 199 HE3 LYS 24 2HE LYS 24 2.917 -9.356 19.297 200 HZ1 LYS 24 3HZ LYS 24 2.181 -10.608 17.418 201 HZ2 LYS 24 1HZ LYS 24 1.103 -9.392 16.958 202 HZ3 LYS 24 2HZ LYS 24 0.841 -10.252 18.387 203 H GLU 25 H GLU 25 3.148 -3.280 17.441 204 HA GLU 25 HA GLU 25 4.292 -2.161 15.160 205 HB2 GLU 25 1HB GLU 25 5.608 -2.715 17.841 206 HB3 GLU 25 2HB GLU 25 6.242 -1.635 16.602 207 HG2 GLU 25 1HG GLU 25 4.158 -0.260 16.815 208 HG3 GLU 25 2HG GLU 25 3.670 -1.288 18.164 209 H ASP 26 H ASP 26 4.566 -5.419 16.305 210 HA ASP 26 HA ASP 26 6.407 -5.947 14.051 211 HB2 ASP 26 1HB ASP 26 7.527 -6.321 16.316 212 HB3 ASP 26 2HB ASP 26 6.316 -7.555 16.649 213 H GLU 27 H GLU 27 4.151 -5.921 13.119 214 HA GLU 27 HA GLU 27 3.333 -8.735 12.900 215 HB2 GLU 27 1HB GLU 27 1.498 -6.405 13.502 216 HB3 GLU 27 2HB GLU 27 0.888 -7.695 12.469 217 HG2 GLU 27 1HG GLU 27 2.014 -8.139 15.244 218 HG3 GLU 27 2HG GLU 27 0.306 -7.862 14.915 219 H LEU 28 H LEU 28 2.942 -5.477 11.487 220 HA LEU 28 HA LEU 28 2.636 -6.538 8.796 221 HB2 LEU 28 1HB LEU 28 2.500 -3.749 9.990 222 HB3 LEU 28 2HB LEU 28 2.667 -3.938 8.259 223 HG LEU 28 HG LEU 28 0.313 -3.582 8.896 224 HD11 LEU 28 1HD1 LEU 28 -0.693 -5.436 7.672 225 HD12 LEU 28 2HD1 LEU 28 0.800 -6.368 7.815 226 HD13 LEU 28 3HD1 LEU 28 0.775 -4.867 6.885 227 HD21 LEU 28 3HD2 LEU 28 -0.967 -5.252 10.153 228 HD22 LEU 28 1HD2 LEU 28 0.336 -4.579 11.132 229 HD23 LEU 28 2HD2 LEU 28 0.508 -6.189 10.431 230 H ASP 29 H ASP 29 4.111 -6.564 7.259 231 HA ASP 29 HA ASP 29 6.708 -5.261 7.422 232 HB2 ASP 29 1HB ASP 29 6.342 -8.236 7.880 233 HB3 ASP 29 2HB ASP 29 7.706 -7.745 6.879 234 H ASP 30 H ASP 30 8.062 -6.376 5.525 235 HA ASP 30 HA ASP 30 6.983 -5.206 3.219 236 HB2 ASP 30 1HB ASP 30 9.368 -7.099 3.343 237 HB3 ASP 30 2HB ASP 30 9.066 -5.852 2.137 238 H GLN 31 H GLN 31 7.221 -8.564 4.280 239 HA GLN 31 HA GLN 31 6.202 -9.527 1.672 240 HB2 GLN 31 1HB GLN 31 7.893 -11.063 3.697 241 HB3 GLN 31 2HB GLN 31 7.320 -11.678 2.150 242 HG2 GLN 31 1HG GLN 31 8.653 -9.869 1.022 243 HG3 GLN 31 2HG GLN 31 9.342 -9.473 2.594 244 HE21 GLN 31 1HE2 GLN 31 10.609 -10.460 0.114 245 HE22 GLN 31 2HE2 GLN 31 11.473 -11.885 0.576 246 H THR 32 H THR 32 5.042 -8.714 4.518 247 HA THR 32 HA THR 32 3.574 -10.865 5.516 248 HB THR 32 HB THR 32 2.998 -7.894 5.497 249 HG1 THR 32 HG1 THR 32 4.248 -9.647 7.334 250 HG21 THR 32 3HG2 THR 32 1.452 -8.280 7.385 251 HG22 THR 32 1HG2 THR 32 1.657 -10.026 7.196 252 HG23 THR 32 2HG2 THR 32 0.875 -9.083 5.925 253 HA PRO 33 HA PRO 33 0.736 -11.381 1.986 254 HB2 PRO 33 1HB PRO 33 -0.779 -13.411 3.042 255 HB3 PRO 33 2HB PRO 33 0.862 -13.676 2.422 256 HG2 PRO 33 1HG PRO 33 -0.034 -13.323 5.269 257 HG3 PRO 33 2HG PRO 33 1.122 -14.497 4.596 258 HD2 PRO 33 1HD PRO 33 1.930 -12.206 5.848 259 HD3 PRO 33 2HD PRO 33 2.861 -12.947 4.525 260 H LEU 34 H LEU 34 -0.127 -9.282 2.322 261 HA LEU 34 HA LEU 34 -1.777 -8.422 4.417 262 HB2 LEU 34 1HB LEU 34 -1.708 -7.346 1.574 263 HB3 LEU 34 2HB LEU 34 -2.244 -6.476 3.005 264 HG LEU 34 HG LEU 34 0.616 -7.337 2.414 265 HD11 LEU 34 1HD1 LEU 34 -0.099 -5.491 1.008 266 HD12 LEU 34 2HD1 LEU 34 1.094 -4.955 2.187 267 HD13 LEU 34 3HD1 LEU 34 -0.613 -4.571 2.428 268 HD21 LEU 34 3HD2 LEU 34 1.269 -6.083 4.418 269 HD22 LEU 34 1HD2 LEU 34 0.202 -7.426 4.818 270 HD23 LEU 34 2HD2 LEU 34 -0.430 -5.778 4.795 271 H LEU 35 H LEU 35 -2.591 -9.553 1.159 272 HA LEU 35 HA LEU 35 -5.399 -9.051 1.383 273 HB2 LEU 35 1HB LEU 35 -3.972 -9.097 -0.744 274 HB3 LEU 35 2HB LEU 35 -4.027 -10.848 -0.638 275 HG LEU 35 HG LEU 35 -6.540 -10.724 -0.782 276 HD11 LEU 35 1HD1 LEU 35 -6.068 -7.775 -1.321 277 HD12 LEU 35 2HD1 LEU 35 -6.886 -8.469 0.080 278 HD13 LEU 35 3HD1 LEU 35 -7.604 -8.628 -1.520 279 HD21 LEU 35 3HD2 LEU 35 -5.186 -11.201 -2.765 280 HD22 LEU 35 1HD2 LEU 35 -5.057 -9.471 -3.106 281 HD23 LEU 35 2HD2 LEU 35 -6.629 -10.280 -3.182 282 H GLU 36 H GLU 36 -3.318 -11.813 1.974 283 HA GLU 36 HA GLU 36 -5.255 -13.870 2.230 284 HB2 GLU 36 1HB GLU 36 -2.824 -14.317 2.011 285 HB3 GLU 36 2HB GLU 36 -2.535 -13.560 3.572 286 HG2 GLU 36 1HG GLU 36 -2.449 -15.950 3.868 287 HG3 GLU 36 2HG GLU 36 -3.924 -15.361 4.639 288 H TRP 37 H TRP 37 -3.807 -11.575 4.499 289 HA TRP 37 HA TRP 37 -5.201 -12.386 6.847 290 HB2 TRP 37 1HB TRP 37 -3.813 -9.774 6.097 291 HB3 TRP 37 2HB TRP 37 -4.536 -10.044 7.677 292 HD1 TRP 37 HD1 TRP 37 -2.622 -12.993 6.175 293 HE1 TRP 37 HE1 TRP 37 -0.431 -13.308 7.480 294 HE3 TRP 37 HE3 TRP 37 -2.720 -8.715 8.979 295 HZ2 TRP 37 HZ2 TRP 37 1.056 -11.951 9.444 296 HZ3 TRP 37 HZ3 TRP 37 -0.870 -8.295 10.560 297 HH2 TRP 37 HH2 TRP 37 0.982 -9.886 10.786 298 H GLY 38 H GLY 38 -6.112 -10.526 4.080 299 HA2 GLY 38 1HA GLY 38 -8.142 -9.711 3.379 300 HA3 GLY 38 2HA GLY 38 -8.868 -10.342 4.850 301 H ILE 39 H ILE 39 -6.147 -8.229 4.997 302 HA ILE 39 HA ILE 39 -7.662 -6.228 6.468 303 HB ILE 39 HB ILE 39 -5.483 -5.255 7.042 304 HG12 ILE 39 1HG1 ILE 39 -4.287 -7.369 5.182 305 HG13 ILE 39 2HG1 ILE 39 -4.249 -5.631 4.934 306 HG21 ILE 39 1HG2 ILE 39 -6.327 -7.079 8.433 307 HG22 ILE 39 2HG2 ILE 39 -4.569 -7.171 8.334 308 HG23 ILE 39 3HG2 ILE 39 -5.561 -8.280 7.386 309 HD11 ILE 39 3HD1 ILE 39 -2.113 -6.430 5.687 310 HD12 ILE 39 1HD1 ILE 39 -2.843 -7.146 7.122 311 HD13 ILE 39 2HD1 ILE 39 -2.828 -5.392 6.918 312 H LEU 40 H LEU 40 -6.731 -6.714 3.241 313 HA LEU 40 HA LEU 40 -7.002 -3.839 2.563 314 HB2 LEU 40 1HB LEU 40 -6.010 -6.097 0.768 315 HB3 LEU 40 2HB LEU 40 -6.051 -4.387 0.376 316 HG LEU 40 HG LEU 40 -4.192 -5.786 2.327 317 HD11 LEU 40 1HD1 LEU 40 -3.563 -5.970 -0.022 318 HD12 LEU 40 2HD1 LEU 40 -2.430 -4.942 0.847 319 HD13 LEU 40 3HD1 LEU 40 -3.640 -4.212 -0.212 320 HD21 LEU 40 3HD2 LEU 40 -4.857 -3.674 3.376 321 HD22 LEU 40 1HD2 LEU 40 -4.464 -2.783 1.901 322 HD23 LEU 40 2HD2 LEU 40 -3.187 -3.582 2.828 323 H ASN 41 H ASN 41 -9.100 -3.463 2.337 324 HA ASN 41 HA ASN 41 -10.758 -5.115 0.509 325 HB2 ASN 41 1HB ASN 41 -11.680 -3.949 3.182 326 HB3 ASN 41 2HB ASN 41 -12.718 -4.758 2.017 327 HD21 ASN 41 1HD2 ASN 41 -11.075 -6.963 1.352 328 HD22 ASN 41 2HD2 ASN 41 -10.948 -7.959 2.757 329 H SER 42 H SER 42 -12.826 -3.810 -0.042 330 HA SER 42 HA SER 42 -11.916 -1.861 -1.782 331 HB2 SER 42 2HB SER 42 -13.941 -3.282 -2.074 332 HB3 SER 42 1HB SER 42 -14.788 -2.309 -0.877 333 H MET 43 H MET 43 -13.458 -1.368 1.387 334 HA MET 43 HA MET 43 -13.829 1.474 0.938 335 HB2 MET 43 1HB MET 43 -14.349 -0.223 3.407 336 HB3 MET 43 2HB MET 43 -14.751 1.483 3.269 337 HG2 MET 43 1HG MET 43 -15.874 -0.602 1.397 338 HG3 MET 43 2HG MET 43 -16.653 -0.152 2.909 339 HE1 MET 43 3HE MET 43 -15.064 1.740 -0.323 340 HE2 MET 43 1HE MET 43 -16.588 2.361 -0.963 341 HE3 MET 43 2HE MET 43 -16.328 0.625 -0.847 342 H ASN 44 H ASN 44 -11.441 -0.535 2.574 343 HA ASN 44 HA ASN 44 -10.311 1.748 4.009 344 HB2 ASN 44 1HB ASN 44 -8.813 0.227 5.107 345 HB3 ASN 44 2HB ASN 44 -10.434 -0.438 5.147 346 HD21 ASN 44 1HD2 ASN 44 -9.758 -2.450 5.522 347 HD22 ASN 44 2HD2 ASN 44 -8.901 -3.434 4.397 348 H ILE 45 H ILE 45 -9.738 -0.056 1.110 349 HA ILE 45 HA ILE 45 -6.953 0.502 0.817 350 HB ILE 45 HB ILE 45 -8.170 -1.502 -0.143 351 HG12 ILE 45 1HG1 ILE 45 -6.586 0.037 -2.242 352 HG13 ILE 45 2HG1 ILE 45 -5.836 -0.738 -0.850 353 HG21 ILE 45 1HG2 ILE 45 -9.285 -1.275 -2.349 354 HG22 ILE 45 2HG2 ILE 45 -9.121 0.482 -2.251 355 HG23 ILE 45 3HG2 ILE 45 -10.135 -0.375 -1.088 356 HD11 ILE 45 3HD1 ILE 45 -5.653 -2.089 -2.854 357 HD12 ILE 45 1HD1 ILE 45 -7.407 -2.141 -3.005 358 HD13 ILE 45 2HD1 ILE 45 -6.615 -2.908 -1.625 359 H VAL 46 H VAL 46 -9.856 2.185 -0.054 360 HA VAL 46 HA VAL 46 -8.680 3.945 -1.988 361 HB VAL 46 HB VAL 46 -10.717 5.301 -1.739 362 HG11 VAL 46 1HG1 VAL 46 -11.271 2.323 -1.913 363 HG12 VAL 46 2HG1 VAL 46 -10.753 3.372 -3.233 364 HG13 VAL 46 3HG1 VAL 46 -12.341 3.602 -2.503 365 HG21 VAL 46 3HG2 VAL 46 -12.551 4.658 -0.203 366 HG22 VAL 46 1HG2 VAL 46 -11.101 5.110 0.699 367 HG23 VAL 46 2HG2 VAL 46 -11.525 3.407 0.505 368 H LYS 47 H LYS 47 -9.054 3.993 1.549 369 HA LYS 47 HA LYS 47 -7.917 6.586 1.915 370 HB2 LYS 47 1HB LYS 47 -8.301 4.279 3.840 371 HB3 LYS 47 2HB LYS 47 -7.420 5.729 4.309 372 HG2 LYS 47 1HG LYS 47 -9.466 6.433 5.014 373 HG3 LYS 47 2HG LYS 47 -9.655 6.903 3.330 374 HD2 LYS 47 1HD LYS 47 -11.655 5.770 3.868 375 HD3 LYS 47 2HD LYS 47 -10.711 4.580 2.970 376 HE2 LYS 47 1HE LYS 47 -11.783 3.573 4.947 377 HE3 LYS 47 2HE LYS 47 -10.024 3.521 5.086 378 HZ1 LYS 47 3HZ LYS 47 -11.768 5.553 6.379 379 HZ2 LYS 47 1HZ LYS 47 -10.092 5.399 6.561 380 HZ3 LYS 47 2HZ LYS 47 -11.119 4.195 7.152 381 H LEU 48 H LEU 48 -6.610 3.344 1.528 382 HA LEU 48 HA LEU 48 -3.892 3.972 2.032 383 HB2 LEU 48 1HB LEU 48 -5.198 1.783 0.376 384 HB3 LEU 48 2HB LEU 48 -3.454 1.920 0.524 385 HG LEU 48 HG LEU 48 -5.305 1.618 2.914 386 HD11 LEU 48 1HD1 LEU 48 -4.719 -0.733 3.006 387 HD12 LEU 48 2HD1 LEU 48 -3.768 -0.589 1.523 388 HD13 LEU 48 3HD1 LEU 48 -5.520 -0.366 1.481 389 HD21 LEU 48 3HD2 LEU 48 -3.097 2.662 3.363 390 HD22 LEU 48 1HD2 LEU 48 -2.297 1.240 2.681 391 HD23 LEU 48 2HD2 LEU 48 -3.271 1.091 4.147 392 H MET 49 H MET 49 -5.871 4.088 -0.963 393 HA MET 49 HA MET 49 -3.677 4.695 -2.683 394 HB2 MET 49 1HB MET 49 -6.672 5.020 -3.056 395 HB3 MET 49 2HB MET 49 -5.512 5.434 -4.312 396 HG2 MET 49 1HG MET 49 -4.658 3.071 -4.188 397 HG3 MET 49 2HG MET 49 -6.020 2.696 -3.133 398 HE1 MET 49 3HE MET 49 -9.059 3.291 -5.506 399 HE2 MET 49 1HE MET 49 -8.372 4.449 -4.365 400 HE3 MET 49 2HE MET 49 -8.538 2.747 -3.917 401 H VAL 50 H VAL 50 -5.990 6.775 -0.953 402 HA VAL 50 HA VAL 50 -5.018 9.233 -2.075 403 HB VAL 50 HB VAL 50 -6.300 10.417 -0.360 404 HG11 VAL 50 1HG1 VAL 50 -7.885 8.102 -1.543 405 HG12 VAL 50 2HG1 VAL 50 -7.514 9.630 -2.343 406 HG13 VAL 50 3HG1 VAL 50 -8.567 9.612 -0.929 407 HG21 VAL 50 3HG2 VAL 50 -7.586 9.224 1.394 408 HG22 VAL 50 1HG2 VAL 50 -5.847 8.969 1.583 409 HG23 VAL 50 2HG2 VAL 50 -6.851 7.700 0.889 410 H TYR 51 H TYR 51 -4.119 7.227 0.643 411 HA TYR 51 HA TYR 51 -2.362 8.977 2.003 412 HB2 TYR 51 1HB TYR 51 -3.169 6.798 2.916 413 HB3 TYR 51 2HB TYR 51 -2.246 5.949 1.702 414 HD1 TYR 51 HD1 TYR 51 -1.843 8.338 4.563 415 HD2 TYR 51 HD2 TYR 51 0.013 5.325 2.155 416 HE1 TYR 51 HE1 TYR 51 0.090 8.323 6.075 417 HE2 TYR 51 HE2 TYR 51 1.940 5.310 3.663 418 HH TYR 51 HH TYR 51 1.904 6.496 6.684 419 H ILE 52 H ILE 52 -1.834 6.500 -0.464 420 HA ILE 52 HA ILE 52 0.938 6.838 -0.823 421 HB ILE 52 HB ILE 52 -1.198 5.559 -2.562 422 HG12 ILE 52 1HG1 ILE 52 0.864 4.059 -0.921 423 HG13 ILE 52 2HG1 ILE 52 -0.556 4.720 -0.120 424 HG21 ILE 52 1HG2 ILE 52 0.697 6.074 -4.027 425 HG22 ILE 52 2HG2 ILE 52 0.594 4.334 -3.755 426 HG23 ILE 52 3HG2 ILE 52 1.810 5.288 -2.904 427 HD11 ILE 52 3HD1 ILE 52 -0.598 2.757 -2.400 428 HD12 ILE 52 1HD1 ILE 52 -1.996 3.425 -1.547 429 HD13 ILE 52 2HD1 ILE 52 -0.847 2.393 -0.689 430 H ARG 53 H ARG 53 -1.809 8.261 -2.625 431 HA ARG 53 HA ARG 53 -0.217 9.546 -4.600 432 HB2 ARG 53 1HB ARG 53 -2.154 10.774 -5.277 433 HB3 ARG 53 2HB ARG 53 -2.659 9.151 -4.845 434 HG2 ARG 53 1HG ARG 53 -4.338 10.358 -3.870 435 HG3 ARG 53 2HG ARG 53 -3.225 10.275 -2.516 436 HD2 ARG 53 1HD ARG 53 -2.342 12.552 -3.329 437 HD3 ARG 53 2HD ARG 53 -3.775 12.612 -4.357 438 HE ARG 53 HE ARG 53 -4.007 12.250 -1.434 439 HH11 ARG 53 1HH1 ARG 53 -4.773 14.120 -4.314 440 HH12 ARG 53 2HH1 ARG 53 -5.884 15.165 -3.484 441 HH21 ARG 53 1HH2 ARG 53 -5.433 13.668 -0.354 442 HH22 ARG 53 2HH2 ARG 53 -6.251 14.905 -1.256 443 H ASP 54 H ASP 54 -0.911 10.327 -1.324 444 HA ASP 54 HA ASP 54 -0.095 13.109 -1.445 445 HB2 ASP 54 1HB ASP 54 -1.804 12.403 0.175 446 HB3 ASP 54 2HB ASP 54 -0.692 11.250 0.900 447 H GLU 55 H GLU 55 1.196 10.110 -0.034 448 HA GLU 55 HA GLU 55 3.603 11.345 0.959 449 HB2 GLU 55 1HB GLU 55 2.576 8.477 1.009 450 HB3 GLU 55 2HB GLU 55 4.092 8.968 1.753 451 HG2 GLU 55 1HG GLU 55 1.429 10.204 2.499 452 HG3 GLU 55 2HG GLU 55 2.084 8.783 3.305 453 H MET 56 H MET 56 2.952 8.693 -1.376 454 HA MET 56 HA MET 56 5.707 8.628 -2.289 455 HB2 MET 56 1HB MET 56 3.277 7.146 -3.375 456 HB3 MET 56 2HB MET 56 4.949 6.844 -3.833 457 HG2 MET 56 1HG MET 56 4.298 5.166 -2.313 458 HG3 MET 56 2HG MET 56 5.394 6.256 -1.453 459 HE1 MET 56 3HE MET 56 3.396 5.950 1.628 460 HE2 MET 56 1HE MET 56 4.927 6.367 0.852 461 HE3 MET 56 2HE MET 56 4.223 4.764 0.611 462 H GLY 57 H GLY 57 2.719 10.115 -3.237 463 HA2 GLY 57 1HA GLY 57 2.292 11.757 -4.809 464 HA3 GLY 57 2HA GLY 57 3.918 11.567 -5.454 465 H VAL 58 H VAL 58 1.616 8.924 -4.994 466 HA VAL 58 HA VAL 58 1.548 8.466 -7.934 467 HB VAL 58 HB VAL 58 1.559 6.353 -5.742 468 HG11 VAL 58 1HG1 VAL 58 0.371 5.595 -7.755 469 HG12 VAL 58 2HG1 VAL 58 1.897 4.727 -7.585 470 HG13 VAL 58 3HG1 VAL 58 1.756 6.033 -8.763 471 HG21 VAL 58 3HG2 VAL 58 3.875 5.834 -6.470 472 HG22 VAL 58 1HG2 VAL 58 3.729 7.455 -5.784 473 HG23 VAL 58 2HG2 VAL 58 3.836 7.240 -7.531 474 H SER 59 H SER 59 -0.476 8.919 -8.608 475 HA SER 59 HA SER 59 -2.822 8.421 -6.977 476 HB2 SER 59 1HB SER 59 -4.031 9.223 -9.111 477 HB3 SER 59 2HB SER 59 -2.987 10.381 -8.297 478 HG SER 59 HG SER 59 -1.619 10.343 -9.931 479 H ILE 60 H ILE 60 -3.052 6.289 -6.651 480 HA ILE 60 HA ILE 60 -2.825 4.298 -8.748 481 HB ILE 60 HB ILE 60 -3.749 4.043 -5.861 482 HG12 ILE 60 1HG1 ILE 60 -1.090 3.320 -7.169 483 HG13 ILE 60 2HG1 ILE 60 -1.361 4.637 -6.034 484 HG21 ILE 60 1HG2 ILE 60 -3.534 1.591 -6.146 485 HG22 ILE 60 2HG2 ILE 60 -3.210 1.820 -7.865 486 HG23 ILE 60 3HG2 ILE 60 -4.782 2.266 -7.195 487 HD11 ILE 60 3HD1 ILE 60 -0.284 2.812 -4.908 488 HD12 ILE 60 1HD1 ILE 60 -1.531 1.681 -5.437 489 HD13 ILE 60 2HD1 ILE 60 -1.928 2.965 -4.291 490 HA PRO 61 HA PRO 61 -7.276 4.819 -9.693 491 HB2 PRO 61 1HB PRO 61 -7.298 3.489 -12.057 492 HB3 PRO 61 2HB PRO 61 -6.552 5.093 -11.913 493 HG2 PRO 61 1HG PRO 61 -5.203 2.403 -11.895 494 HG3 PRO 61 2HG PRO 61 -4.747 3.872 -12.787 495 HD2 PRO 61 1HD PRO 61 -3.578 3.134 -10.417 496 HD3 PRO 61 2HD PRO 61 -3.720 4.828 -10.942 497 H SER 62 H SER 62 -9.084 3.360 -9.988 498 HA SER 62 HA SER 62 -9.123 1.174 -8.203 499 HB2 SER 62 1HB SER 62 -11.453 0.837 -9.085 500 HB3 SER 62 2HB SER 62 -11.118 2.503 -8.611 501 HG SER 62 HG SER 62 -11.465 3.092 -10.590 502 H THR 63 H THR 63 -8.766 1.362 -11.706 503 HA THR 63 HA THR 63 -9.159 -1.350 -12.361 504 HB THR 63 HB THR 63 -9.181 0.429 -14.067 505 HG1 THR 63 HG1 THR 63 -8.748 -1.590 -14.894 506 HG21 THR 63 3HG2 THR 63 -7.104 1.458 -14.901 507 HG22 THR 63 1HG2 THR 63 -6.179 0.635 -13.644 508 HG23 THR 63 2HG2 THR 63 -7.368 1.862 -13.203 509 H HIS 64 H HIS 64 -6.432 0.316 -10.940 510 HA HIS 64 HA HIS 64 -4.438 -1.721 -11.425 511 HB2 HIS 64 1HB HIS 64 -3.780 0.629 -11.114 512 HB3 HIS 64 2HB HIS 64 -4.475 0.656 -9.504 513 HD1 HIS 64 HD1 HIS 64 -3.113 -0.269 -7.628 514 HD2 HIS 64 HD2 HIS 64 -1.375 -0.831 -11.346 515 HE1 HIS 64 HE1 HIS 64 -0.778 -1.029 -7.158 516 HE2 HIS 64 HE2 HIS 64 0.185 -1.515 -9.449 517 H ILE 65 H ILE 65 -6.987 -1.261 -9.148 518 HA ILE 65 HA ILE 65 -5.855 -2.576 -6.864 519 HB ILE 65 HB ILE 65 -8.803 -2.070 -7.447 520 HG12 ILE 65 1HG1 ILE 65 -7.559 0.052 -7.536 521 HG13 ILE 65 2HG1 ILE 65 -8.540 0.002 -6.079 522 HG21 ILE 65 1HG2 ILE 65 -9.066 -2.202 -4.964 523 HG22 ILE 65 2HG2 ILE 65 -7.367 -2.660 -4.829 524 HG23 ILE 65 3HG2 ILE 65 -8.500 -3.718 -5.669 525 HD11 ILE 65 3HD1 ILE 65 -6.565 -0.518 -4.763 526 HD12 ILE 65 1HD1 ILE 65 -6.366 0.963 -5.692 527 HD13 ILE 65 2HD1 ILE 65 -5.581 -0.513 -6.230 528 H THR 66 H THR 66 -5.116 -4.535 -7.447 529 HA THR 66 HA THR 66 -7.045 -6.697 -7.582 530 HB THR 66 HB THR 66 -6.640 -6.385 -9.969 531 HG1 THR 66 HG1 THR 66 -6.778 -8.518 -9.500 532 HG21 THR 66 3HG2 THR 66 -3.667 -6.647 -9.363 533 HG22 THR 66 1HG2 THR 66 -4.483 -5.175 -9.905 534 HG23 THR 66 2HG2 THR 66 -4.382 -6.576 -10.974 535 H GLY 67 H GLY 67 -6.073 -8.752 -7.046 536 HA2 GLY 67 1HA GLY 67 -4.403 -8.565 -4.781 537 HA3 GLY 67 2HA GLY 67 -4.925 -10.048 -5.567 538 H LYS 68 H LYS 68 -3.644 -9.099 -8.129 539 HA LYS 68 HA LYS 68 -1.141 -10.282 -8.086 540 HB2 LYS 68 1HB LYS 68 -2.350 -9.751 -10.157 541 HB3 LYS 68 2HB LYS 68 -2.214 -8.026 -9.831 542 HG2 LYS 68 1HG LYS 68 0.301 -8.281 -10.054 543 HG3 LYS 68 2HG LYS 68 0.015 -9.937 -10.606 544 HD2 LYS 68 1HD LYS 68 -1.302 -9.113 -12.507 545 HD3 LYS 68 2HD LYS 68 -1.140 -7.449 -11.929 546 HE2 LYS 68 1HE LYS 68 1.354 -7.675 -12.216 547 HE3 LYS 68 2HE LYS 68 1.071 -9.246 -12.976 548 HZ1 LYS 68 3HZ LYS 68 1.283 -7.513 -14.618 549 HZ2 LYS 68 1HZ LYS 68 0.018 -6.640 -13.912 550 HZ3 LYS 68 2HZ LYS 68 -0.289 -8.135 -14.637 551 H TYR 69 H TYR 69 -1.993 -6.858 -7.674 552 HA TYR 69 HA TYR 69 0.765 -6.100 -7.029 553 HB2 TYR 69 1HB TYR 69 -1.735 -4.388 -7.422 554 HB3 TYR 69 2HB TYR 69 -0.106 -3.763 -7.159 555 HD1 TYR 69 HD1 TYR 69 1.687 -5.065 -8.862 556 HD2 TYR 69 HD2 TYR 69 -2.416 -4.189 -9.679 557 HE1 TYR 69 HE1 TYR 69 2.153 -5.147 -11.268 558 HE2 TYR 69 HE2 TYR 69 -1.950 -4.269 -12.092 559 HH TYR 69 HH TYR 69 -0.011 -4.017 -13.616 560 H PHE 70 H PHE 70 -2.195 -6.842 -5.383 561 HA PHE 70 HA PHE 70 -1.321 -5.397 -2.935 562 HB2 PHE 70 1HB PHE 70 -4.108 -5.878 -4.069 563 HB3 PHE 70 2HB PHE 70 -3.850 -5.404 -2.392 564 HD1 PHE 70 HD2 PHE 70 -2.884 -3.177 -1.842 565 HD2 PHE 70 HD1 PHE 70 -3.799 -4.249 -5.885 566 HE1 PHE 70 HE2 PHE 70 -2.716 -0.818 -2.510 567 HE2 PHE 70 HE1 PHE 70 -3.617 -1.884 -6.544 568 HZ PHE 70 HZ PHE 70 -3.074 -0.169 -4.856 569 H LYS 71 H LYS 71 -0.627 -8.144 -3.748 570 HA LYS 71 HA LYS 71 -1.924 -9.883 -1.828 571 HB2 LYS 71 1HB LYS 71 -0.097 -11.513 -2.459 572 HB3 LYS 71 2HB LYS 71 -1.072 -10.941 -3.807 573 HG2 LYS 71 1HG LYS 71 0.730 -9.338 -4.422 574 HG3 LYS 71 2HG LYS 71 1.719 -9.971 -3.102 575 HD2 LYS 71 1HD LYS 71 2.395 -10.943 -5.254 576 HD3 LYS 71 2HD LYS 71 1.744 -12.196 -4.189 577 HE2 LYS 71 1HE LYS 71 -0.391 -12.152 -5.401 578 HE3 LYS 71 2HE LYS 71 0.178 -10.813 -6.403 579 HZ1 LYS 71 3HZ LYS 71 1.867 -12.263 -7.316 580 HZ2 LYS 71 1HZ LYS 71 0.330 -12.933 -7.533 581 HZ3 LYS 71 2HZ LYS 71 1.348 -13.533 -6.327 582 H ASP 72 H ASP 72 1.148 -8.090 -2.041 583 HA ASP 72 HA ASP 72 1.422 -8.112 0.849 584 HB2 ASP 72 1HB ASP 72 3.590 -9.099 0.987 585 HB3 ASP 72 2HB ASP 72 2.666 -10.189 -0.036 586 H LEU 73 H LEU 73 3.534 -6.841 1.367 587 HA LEU 73 HA LEU 73 2.846 -4.197 0.497 588 HB2 LEU 73 1HB LEU 73 3.339 -4.883 2.842 589 HB3 LEU 73 2HB LEU 73 4.997 -5.213 2.377 590 HG LEU 73 HG LEU 73 5.255 -2.767 1.815 591 HD11 LEU 73 1HD1 LEU 73 2.557 -2.474 3.160 592 HD12 LEU 73 2HD1 LEU 73 2.923 -2.175 1.458 593 HD13 LEU 73 3HD1 LEU 73 3.641 -1.156 2.701 594 HD21 LEU 73 3HD2 LEU 73 6.121 -3.686 3.903 595 HD22 LEU 73 1HD2 LEU 73 4.562 -3.426 4.695 596 HD23 LEU 73 2HD2 LEU 73 5.519 -2.050 4.145 597 H ASN 74 H ASN 74 5.552 -6.433 -0.221 598 HA ASN 74 HA ASN 74 7.241 -4.504 -1.505 599 HB2 ASN 74 1HB ASN 74 7.062 -7.522 -1.911 600 HB3 ASN 74 2HB ASN 74 8.217 -6.513 -2.762 601 HD21 ASN 74 1HD2 ASN 74 7.579 -8.255 0.045 602 HD22 ASN 74 2HD2 ASN 74 8.981 -7.784 0.941 603 H ALA 75 H ALA 75 4.676 -6.699 -2.635 604 HA ALA 75 HA ALA 75 4.863 -6.148 -5.405 605 HB1 ALA 75 3HB ALA 75 2.444 -7.068 -3.823 606 HB2 ALA 75 1HB ALA 75 3.696 -8.118 -4.492 607 HB3 ALA 75 2HB ALA 75 2.650 -7.193 -5.572 608 H ILE 76 H ILE 76 3.061 -4.612 -2.786 609 HA ILE 76 HA ILE 76 1.588 -2.754 -4.328 610 HB ILE 76 HB ILE 76 2.515 -2.686 -1.434 611 HG12 ILE 76 1HG1 ILE 76 -0.180 -3.287 -2.715 612 HG13 ILE 76 2HG1 ILE 76 0.881 -4.437 -1.911 613 HG21 ILE 76 1HG2 ILE 76 0.976 -0.823 -1.002 614 HG22 ILE 76 2HG2 ILE 76 0.599 -0.712 -2.723 615 HG23 ILE 76 3HG2 ILE 76 2.229 -0.348 -2.150 616 HD11 ILE 76 3HD1 ILE 76 0.504 -3.237 0.215 617 HD12 ILE 76 1HD1 ILE 76 -0.965 -3.904 -0.495 618 HD13 ILE 76 2HD1 ILE 76 -0.636 -2.177 -0.621 619 H SER 77 H SER 77 4.776 -2.490 -2.706 620 HA SER 77 HA SER 77 5.110 0.291 -3.267 621 HB2 SER 77 1HB SER 77 6.205 -0.820 -1.349 622 HB3 SER 77 2HB SER 77 7.184 -1.788 -2.451 623 HG SER 77 HG SER 77 8.280 0.017 -3.061 624 H ARG 78 H ARG 78 6.108 -2.687 -4.876 625 HA ARG 78 HA ARG 78 8.116 -1.535 -6.529 626 HB2 ARG 78 1HB ARG 78 8.381 -3.681 -7.511 627 HB3 ARG 78 2HB ARG 78 7.918 -3.999 -5.845 628 HG2 ARG 78 1HG ARG 78 5.537 -4.322 -6.695 629 HG3 ARG 78 2HG ARG 78 6.213 -4.293 -8.323 630 HD2 ARG 78 1HD ARG 78 6.830 -6.272 -6.111 631 HD3 ARG 78 2HD ARG 78 5.957 -6.600 -7.610 632 HE ARG 78 HE ARG 78 8.350 -5.766 -8.519 633 HH11 ARG 78 1HH1 ARG 78 7.514 -8.214 -6.131 634 HH12 ARG 78 2HH1 ARG 78 8.924 -9.170 -6.456 635 HH21 ARG 78 1HH2 ARG 78 10.196 -7.028 -8.893 636 HH22 ARG 78 2HH2 ARG 78 10.437 -8.502 -8.012 637 H THR 79 H THR 79 4.671 -2.116 -6.890 638 HA THR 79 HA THR 79 4.614 -1.285 -9.671 639 HB THR 79 HB THR 79 3.031 -3.053 -8.734 640 HG1 THR 79 HG1 THR 79 2.712 -1.437 -10.633 641 HG21 THR 79 3HG2 THR 79 0.962 -2.278 -7.643 642 HG22 THR 79 1HG2 THR 79 1.596 -0.630 -7.555 643 HG23 THR 79 2HG2 THR 79 2.361 -1.930 -6.622 644 H VAL 80 H VAL 80 4.155 0.141 -6.487 645 HA VAL 80 HA VAL 80 2.777 2.517 -7.201 646 HB VAL 80 HB VAL 80 4.494 1.702 -4.833 647 HG11 VAL 80 1HG1 VAL 80 5.158 4.054 -5.155 648 HG12 VAL 80 2HG1 VAL 80 4.174 3.875 -3.701 649 HG13 VAL 80 3HG1 VAL 80 3.460 4.536 -5.171 650 HG21 VAL 80 3HG2 VAL 80 2.136 0.985 -4.923 651 HG22 VAL 80 1HG2 VAL 80 1.620 2.670 -5.011 652 HG23 VAL 80 2HG2 VAL 80 2.414 2.066 -3.555 653 H GLU 81 H GLU 81 6.262 1.800 -6.895 654 HA GLU 81 HA GLU 81 7.130 4.420 -7.646 655 HB2 GLU 81 1HB GLU 81 8.711 1.829 -7.647 656 HB3 GLU 81 2HB GLU 81 9.389 3.453 -7.738 657 HG2 GLU 81 1HG GLU 81 8.231 3.883 -5.482 658 HG3 GLU 81 2HG GLU 81 8.005 2.138 -5.393 659 H GLN 82 H GLN 82 6.258 1.582 -9.434 660 HA GLN 82 HA GLN 82 7.441 2.328 -11.958 661 HB2 GLN 82 1HB GLN 82 6.901 -0.026 -11.630 662 HB3 GLN 82 2HB GLN 82 5.233 0.360 -11.213 663 HG2 GLN 82 1HG GLN 82 5.313 -0.577 -13.455 664 HG3 GLN 82 2HG GLN 82 4.823 1.120 -13.542 665 HE21 GLN 82 1HE2 GLN 82 5.513 1.510 -15.625 666 HE22 GLN 82 2HE2 GLN 82 7.163 1.483 -16.124 667 H LEU 83 H LEU 83 4.282 2.478 -10.461 668 HA LEU 83 HA LEU 83 2.819 3.700 -12.550 669 HB2 LEU 83 1HB LEU 83 2.249 2.497 -10.078 670 HB3 LEU 83 2HB LEU 83 1.850 4.166 -9.779 671 HG LEU 83 HG LEU 83 0.257 4.114 -11.682 672 HD11 LEU 83 1HD1 LEU 83 0.933 1.170 -11.872 673 HD12 LEU 83 2HD1 LEU 83 1.322 2.412 -13.068 674 HD13 LEU 83 3HD1 LEU 83 -0.361 2.003 -12.742 675 HD21 LEU 83 3HD2 LEU 83 -1.441 2.686 -10.559 676 HD22 LEU 83 1HD2 LEU 83 -0.551 3.699 -9.419 677 HD23 LEU 83 2HD2 LEU 83 -0.156 1.982 -9.563 678 H LYS 84 H LYS 84 4.870 4.923 -10.022 679 HA LYS 84 HA LYS 84 4.056 7.643 -10.015 680 HB2 LYS 84 1HB LYS 84 5.467 6.589 -8.231 681 HB3 LYS 84 2HB LYS 84 6.804 6.477 -9.369 682 HG2 LYS 84 1HG LYS 84 7.034 8.877 -9.469 683 HG3 LYS 84 2HG LYS 84 5.508 9.116 -8.609 684 HD2 LYS 84 1HD LYS 84 7.475 9.533 -7.165 685 HD3 LYS 84 2HD LYS 84 6.469 8.216 -6.556 686 HE2 LYS 84 1HE LYS 84 8.057 6.572 -7.475 687 HE3 LYS 84 2HE LYS 84 9.045 7.878 -8.134 688 HZ1 LYS 84 3HZ LYS 84 9.387 8.672 -5.860 689 HZ2 LYS 84 1HZ LYS 84 9.971 7.095 -6.085 690 HZ3 LYS 84 2HZ LYS 84 8.516 7.354 -5.267 691 H ALA 85 H ALA 85 6.661 5.869 -11.711 692 HA ALA 85 HA ALA 85 7.734 7.957 -13.251 693 HB1 ALA 85 3HB ALA 85 8.680 6.162 -14.672 694 HB2 ALA 85 1HB ALA 85 7.586 4.988 -13.932 695 HB3 ALA 85 2HB ALA 85 8.845 5.760 -12.961 696 H GLU 86 H GLU 86 5.063 5.710 -13.892 697 HA GLU 86 HA GLU 86 4.482 6.480 -16.570 698 HB2 GLU 86 1HB GLU 86 2.628 5.187 -14.507 699 HB3 GLU 86 2HB GLU 86 2.356 5.224 -16.244 700 HG2 GLU 86 1HG GLU 86 4.640 3.807 -14.851 701 HG3 GLU 86 2HG GLU 86 3.195 3.030 -15.483 702 H SER 87 H SER 87 3.186 7.479 -13.412 703 HA SER 87 HA SER 87 1.179 9.235 -14.529 704 HB2 SER 87 1HB SER 87 0.834 7.988 -12.365 705 HB3 SER 87 2HB SER 87 2.042 9.026 -11.609 706 HG SER 87 HG SER 87 -0.107 10.215 -12.978 707 H ALA 88 H ALA 88 4.496 9.551 -13.680 708 HA ALA 88 HA ALA 88 4.504 12.434 -13.318 709 HB1 ALA 88 3HB ALA 88 6.824 10.495 -13.745 710 HB2 ALA 88 1HB ALA 88 6.195 11.032 -12.185 711 HB3 ALA 88 2HB ALA 88 6.966 12.189 -13.268 712 H LEU 89 H LEU 89 5.303 10.102 -15.883 713 HA LEU 89 HA LEU 89 5.938 12.224 -17.792 714 HB2 LEU 89 1HB LEU 89 6.233 9.201 -17.858 715 HB3 LEU 89 2HB LEU 89 6.429 10.173 -19.305 716 HG LEU 89 HG LEU 89 8.319 11.404 -18.175 717 HD11 LEU 89 1HD1 LEU 89 7.773 11.016 -15.828 718 HD12 LEU 89 2HD1 LEU 89 9.407 10.468 -16.196 719 HD13 LEU 89 3HD1 LEU 89 8.102 9.292 -16.021 720 HD21 LEU 89 3HD2 LEU 89 8.766 9.612 -19.766 721 HD22 LEU 89 1HD2 LEU 89 8.684 8.413 -18.472 722 HD23 LEU 89 2HD2 LEU 89 9.977 9.615 -18.485 723 H GLU 90 H GLU 90 3.011 10.994 -16.817 724 HA GLU 90 HA GLU 90 1.850 10.361 -19.380 725 HB2 GLU 90 1HB GLU 90 -0.329 10.314 -18.288 726 HB3 GLU 90 2HB GLU 90 0.846 9.420 -17.338 727 HG2 GLU 90 1HG GLU 90 0.955 11.147 -15.682 728 HG3 GLU 90 2HG GLU 90 0.005 12.250 -16.673 729 H282 PNS 101 2H28 PNS 142 -11.278 -2.581 -4.685 730 H281 PNS 101 3H28 PNS 142 -12.205 -3.404 -3.434 731 H303 PNS 101 2H51 PNS 142 -13.577 -6.040 -5.670 732 H302 PNS 101 3H51 PNS 142 -14.360 -4.501 -5.332 733 H301 PNS 101 1H51 PNS 142 -13.595 -5.414 -4.018 734 H313 PNS 101 2H52 PNS 142 -11.037 -6.208 -5.547 735 H312 PNS 101 3H52 PNS 142 -10.094 -4.784 -5.120 736 H311 PNS 101 1H52 PNS 142 -11.095 -5.577 -3.893 737 H32 PNS 101 H32 PNS 142 -13.008 -3.454 -7.098 738 H33 PNS 101 H33 PNS 142 -11.112 -2.355 -6.688 739 H36 PNS 101 H36 PNS 142 -10.073 -5.173 -7.778 740 H372 PNS 101 2H37 PNS 142 -9.533 -6.671 -9.404 741 H371 PNS 101 3H37 PNS 142 -11.226 -6.797 -9.859 742 H382 PNS 101 2H38 PNS 142 -10.455 -8.960 -9.120 743 H381 PNS 101 3H38 PNS 142 -11.603 -8.322 -7.953 744 H41 PNS 101 H41 PNS 142 -10.986 -8.036 -5.860 745 H422 PNS 101 2H42 PNS 142 -9.882 -8.067 -3.891 746 H421 PNS 101 3H42 PNS 142 -9.206 -9.566 -4.513 747 H431 PNS 101 2H43 PNS 142 -7.438 -8.087 -3.690 748 H432 PNS 101 3H43 PNS 142 -7.295 -8.294 -5.442 749 H44 PNS 101 H44 PNS 142 -6.724 -5.626 -4.845 Start of MODEL 7 1 H1 MET 1 1H MET 1 13.900 6.478 -7.281 2 H2 MET 1 2H MET 1 12.412 6.978 -6.651 3 H3 MET 1 3H MET 1 12.548 6.590 -8.290 4 HA MET 1 HA MET 1 11.447 4.859 -7.161 5 HB2 MET 1 1HB MET 1 13.004 4.351 -9.055 6 HB3 MET 1 2HB MET 1 14.287 4.011 -7.900 7 HG2 MET 1 1HG MET 1 12.962 2.145 -6.990 8 HG3 MET 1 2HG MET 1 11.660 2.515 -8.119 9 HE1 MET 1 3HE MET 1 15.585 2.549 -8.850 10 HE2 MET 1 1HE MET 1 15.799 0.891 -9.410 11 HE3 MET 1 2HE MET 1 15.355 1.201 -7.733 12 H ASP 2 H ASP 2 10.971 4.573 -5.107 13 HA ASP 2 HA ASP 2 13.009 4.507 -2.988 14 HB2 ASP 2 1HB ASP 2 10.383 6.079 -2.905 15 HB3 ASP 2 2HB ASP 2 11.655 6.084 -1.693 16 H GLY 3 H GLY 3 12.344 2.192 -3.574 17 HA2 GLY 3 1HA GLY 3 9.811 1.103 -3.394 18 HA3 GLY 3 2HA GLY 3 11.299 0.213 -3.119 19 H GLU 4 H GLU 4 12.218 1.349 -0.750 20 HA GLU 4 HA GLU 4 10.435 -0.010 1.107 21 HB2 GLU 4 1HB GLU 4 12.233 0.214 2.756 22 HB3 GLU 4 2HB GLU 4 12.841 -0.478 1.254 23 HG2 GLU 4 1HG GLU 4 13.754 1.737 0.623 24 HG3 GLU 4 2HG GLU 4 13.175 2.403 2.150 25 H GLU 5 H GLU 5 11.088 3.223 0.156 26 HA GLU 5 HA GLU 5 10.494 4.591 2.600 27 HB2 GLU 5 1HB GLU 5 11.908 5.524 0.683 28 HB3 GLU 5 2HB GLU 5 10.427 5.690 -0.248 29 HG2 GLU 5 1HG GLU 5 11.014 7.847 0.672 30 HG3 GLU 5 2HG GLU 5 9.546 7.264 1.465 31 H VAL 6 H VAL 6 8.664 3.787 -0.334 32 HA VAL 6 HA VAL 6 6.197 4.950 0.554 33 HB VAL 6 HB VAL 6 6.496 4.714 -1.830 34 HG11 VAL 6 1HG1 VAL 6 6.731 1.708 -1.488 35 HG12 VAL 6 2HG1 VAL 6 8.047 2.810 -1.898 36 HG13 VAL 6 3HG1 VAL 6 6.707 2.579 -3.025 37 HG21 VAL 6 3HG2 VAL 6 4.434 3.554 -2.517 38 HG22 VAL 6 1HG2 VAL 6 4.175 4.476 -1.034 39 HG23 VAL 6 2HG2 VAL 6 4.370 2.726 -0.962 40 H LYS 7 H LYS 7 7.628 1.685 0.706 41 HA LYS 7 HA LYS 7 5.322 0.291 1.545 42 HB2 LYS 7 1HB LYS 7 8.257 -0.397 1.959 43 HB3 LYS 7 2HB LYS 7 6.934 -1.493 2.360 44 HG2 LYS 7 1HG LYS 7 6.201 -1.413 -0.013 45 HG3 LYS 7 2HG LYS 7 7.605 -0.427 -0.388 46 HD2 LYS 7 1HD LYS 7 7.566 -3.304 0.557 47 HD3 LYS 7 2HD LYS 7 8.064 -2.707 -1.021 48 HE2 LYS 7 1HE LYS 7 10.039 -1.657 -0.039 49 HE3 LYS 7 2HE LYS 7 9.508 -2.114 1.582 50 HZ1 LYS 7 3HZ LYS 7 10.346 -3.942 -0.594 51 HZ2 LYS 7 1HZ LYS 7 9.650 -4.458 0.855 52 HZ3 LYS 7 2HZ LYS 7 11.126 -3.657 0.874 53 H GLU 8 H GLU 8 8.032 1.610 3.521 54 HA GLU 8 HA GLU 8 7.175 0.823 6.055 55 HB2 GLU 8 1HB GLU 8 8.509 2.715 6.956 56 HB3 GLU 8 2HB GLU 8 9.389 1.823 5.720 57 HG2 GLU 8 1HG GLU 8 9.383 3.566 4.227 58 HG3 GLU 8 2HG GLU 8 7.863 4.224 4.806 59 H LYS 9 H LYS 9 6.241 3.676 4.174 60 HA LYS 9 HA LYS 9 4.766 5.081 6.118 61 HB2 LYS 9 1HB LYS 9 4.810 5.072 3.089 62 HB3 LYS 9 2HB LYS 9 3.699 6.124 3.961 63 HG2 LYS 9 1HG LYS 9 5.504 7.325 4.998 64 HG3 LYS 9 2HG LYS 9 6.696 6.152 4.424 65 HD2 LYS 9 1HD LYS 9 6.322 6.834 2.112 66 HD3 LYS 9 2HD LYS 9 5.028 7.933 2.607 67 HE2 LYS 9 1HE LYS 9 7.381 8.932 2.148 68 HE3 LYS 9 2HE LYS 9 6.527 9.439 3.610 69 HZ1 LYS 9 3HZ LYS 9 8.891 8.894 3.968 70 HZ2 LYS 9 1HZ LYS 9 8.581 7.295 3.535 71 HZ3 LYS 9 2HZ LYS 9 7.849 7.954 4.908 72 H ILE 10 H ILE 10 3.852 2.580 3.792 73 HA ILE 10 HA ILE 10 0.993 2.895 4.147 74 HB ILE 10 HB ILE 10 2.582 0.642 2.819 75 HG12 ILE 10 1HG1 ILE 10 1.174 3.008 1.506 76 HG13 ILE 10 2HG1 ILE 10 2.907 2.940 1.807 77 HG21 ILE 10 1HG2 ILE 10 0.305 -0.092 3.428 78 HG22 ILE 10 2HG2 ILE 10 0.470 0.043 1.678 79 HG23 ILE 10 3HG2 ILE 10 -0.383 1.298 2.582 80 HD11 ILE 10 3HD1 ILE 10 3.082 1.005 0.318 81 HD12 ILE 10 1HD1 ILE 10 2.410 2.424 -0.483 82 HD13 ILE 10 2HD1 ILE 10 1.347 1.103 -0.000 83 H ARG 11 H ARG 11 3.465 0.550 4.956 84 HA ARG 11 HA ARG 11 2.133 -1.385 6.371 85 HB2 ARG 11 1HB ARG 11 4.242 -2.191 6.247 86 HB3 ARG 11 2HB ARG 11 4.839 -0.631 5.783 87 HG2 ARG 11 1HG ARG 11 6.225 -1.222 7.495 88 HG3 ARG 11 2HG ARG 11 5.059 -0.161 8.290 89 HD2 ARG 11 1HD ARG 11 3.976 -2.014 9.349 90 HD3 ARG 11 2HD ARG 11 4.768 -3.181 8.283 91 HE ARG 11 HE ARG 11 6.707 -3.033 9.534 92 HH11 ARG 11 1HH1 ARG 11 4.317 -0.806 10.791 93 HH12 ARG 11 2HH1 ARG 11 5.187 -0.531 12.269 94 HH21 ARG 11 1HH2 ARG 11 7.834 -2.643 11.432 95 HH22 ARG 11 2HH2 ARG 11 7.177 -1.571 12.628 96 H ARG 12 H ARG 12 3.491 1.665 7.588 97 HA ARG 12 HA ARG 12 2.658 1.181 10.289 98 HB2 ARG 12 1HB ARG 12 4.040 3.445 8.874 99 HB3 ARG 12 2HB ARG 12 3.134 3.875 10.311 100 HG2 ARG 12 1HG ARG 12 5.244 3.488 11.201 101 HG3 ARG 12 2HG ARG 12 4.454 1.938 11.459 102 HD2 ARG 12 1HD ARG 12 6.567 1.335 10.658 103 HD3 ARG 12 2HD ARG 12 5.552 1.239 9.219 104 HE ARG 12 HE ARG 12 6.525 3.237 8.410 105 HH11 ARG 12 1HH1 ARG 12 8.021 2.148 11.392 106 HH12 ARG 12 2HH1 ARG 12 9.449 3.103 11.166 107 HH21 ARG 12 1HH2 ARG 12 8.433 4.509 8.137 108 HH22 ARG 12 2HH2 ARG 12 9.679 4.426 9.344 109 H TYR 13 H TYR 13 1.338 2.991 7.531 110 HA TYR 13 HA TYR 13 -0.726 4.361 8.913 111 HB2 TYR 13 1HB TYR 13 0.031 5.012 6.647 112 HB3 TYR 13 2HB TYR 13 -0.603 3.499 5.993 113 HD1 TYR 13 HD1 TYR 13 -1.848 6.418 8.070 114 HD2 TYR 13 HD2 TYR 13 -2.702 3.639 4.938 115 HE1 TYR 13 HE1 TYR 13 -4.027 7.482 7.707 116 HE2 TYR 13 HE2 TYR 13 -4.879 4.705 4.581 117 HH TYR 13 HH TYR 13 -6.498 6.059 5.878 118 H ILE 14 H ILE 14 -0.549 1.104 7.560 119 HA ILE 14 HA ILE 14 -3.293 0.406 7.713 120 HB ILE 14 HB ILE 14 -0.814 -1.378 7.933 121 HG12 ILE 14 1HG1 ILE 14 -2.520 -1.001 5.439 122 HG13 ILE 14 2HG1 ILE 14 -1.156 0.051 5.778 123 HG21 ILE 14 1HG2 ILE 14 -3.676 -2.194 7.300 124 HG22 ILE 14 2HG2 ILE 14 -2.787 -2.575 8.775 125 HG23 ILE 14 3HG2 ILE 14 -2.266 -3.256 7.236 126 HD11 ILE 14 3HD1 ILE 14 -1.013 -2.940 5.404 127 HD12 ILE 14 1HD1 ILE 14 0.351 -1.866 5.750 128 HD13 ILE 14 2HD1 ILE 14 -0.542 -1.703 4.237 129 H MET 15 H MET 15 -0.651 0.467 10.039 130 HA MET 15 HA MET 15 -2.068 -0.860 12.193 131 HB2 MET 15 1HB MET 15 0.578 0.668 12.234 132 HB3 MET 15 2HB MET 15 0.021 -0.503 13.432 133 HG2 MET 15 1HG MET 15 0.219 -2.311 11.873 134 HG3 MET 15 2HG MET 15 0.483 -1.199 10.532 135 HE1 MET 15 3HE MET 15 3.590 -2.205 13.765 136 HE2 MET 15 1HE MET 15 2.102 -3.125 13.493 137 HE3 MET 15 2HE MET 15 2.031 -1.487 14.151 138 H GLU 16 H GLU 16 -1.530 2.425 11.113 139 HA GLU 16 HA GLU 16 -2.246 3.798 13.545 140 HB2 GLU 16 1HB GLU 16 -2.121 4.794 10.658 141 HB3 GLU 16 2HB GLU 16 -2.346 5.829 12.063 142 HG2 GLU 16 1HG GLU 16 0.103 4.117 11.571 143 HG3 GLU 16 2HG GLU 16 -0.021 5.826 11.156 144 H ASP 17 H ASP 17 -3.826 3.386 10.398 145 HA ASP 17 HA ASP 17 -6.303 4.605 11.373 146 HB2 ASP 17 1HB ASP 17 -5.225 5.575 9.389 147 HB3 ASP 17 2HB ASP 17 -5.244 4.017 8.576 148 H LEU 18 H LEU 18 -5.262 1.692 9.513 149 HA LEU 18 HA LEU 18 -7.963 0.847 9.011 150 HB2 LEU 18 1HB LEU 18 -5.400 -0.725 8.554 151 HB3 LEU 18 2HB LEU 18 -6.969 -1.061 7.840 152 HG LEU 18 HG LEU 18 -5.196 1.346 7.247 153 HD11 LEU 18 1HD1 LEU 18 -4.399 -0.689 6.191 154 HD12 LEU 18 2HD1 LEU 18 -5.037 0.425 4.988 155 HD13 LEU 18 3HD1 LEU 18 -5.988 -0.981 5.475 156 HD21 LEU 18 3HD2 LEU 18 -6.854 1.996 5.555 157 HD22 LEU 18 1HD2 LEU 18 -7.516 2.067 7.185 158 HD23 LEU 18 2HD2 LEU 18 -7.942 0.725 6.121 159 H ILE 19 H ILE 19 -5.356 -0.535 11.046 160 HA ILE 19 HA ILE 19 -7.263 -2.506 12.190 161 HB ILE 19 HB ILE 19 -4.209 -2.629 12.157 162 HG12 ILE 19 1HG1 ILE 19 -6.123 -4.054 10.257 163 HG13 ILE 19 2HG1 ILE 19 -5.084 -2.698 9.825 164 HG21 ILE 19 1HG2 ILE 19 -6.189 -4.859 12.716 165 HG22 ILE 19 2HG2 ILE 19 -5.230 -4.011 13.929 166 HG23 ILE 19 3HG2 ILE 19 -4.428 -4.999 12.709 167 HD11 ILE 19 3HD1 ILE 19 -4.111 -4.759 9.072 168 HD12 ILE 19 1HD1 ILE 19 -4.166 -5.440 10.698 169 HD13 ILE 19 2HD1 ILE 19 -3.111 -4.065 10.346 170 H GLY 20 H GLY 20 -6.993 -3.021 14.443 171 HA2 GLY 20 1HA GLY 20 -5.912 -0.858 16.169 172 HA3 GLY 20 2HA GLY 20 -7.286 -1.874 16.576 173 HA PRO 21 HA PRO 21 -4.454 -4.328 18.970 174 HB2 PRO 21 1HB PRO 21 -5.838 -6.670 19.298 175 HB3 PRO 21 2HB PRO 21 -6.379 -5.138 20.011 176 HG2 PRO 21 1HG PRO 21 -7.328 -6.466 17.487 177 HG3 PRO 21 2HG PRO 21 -8.288 -5.728 18.789 178 HD2 PRO 21 1HD PRO 21 -7.742 -4.418 16.462 179 HD3 PRO 21 2HD PRO 21 -7.933 -3.558 18.004 180 H SER 22 H SER 22 -5.469 -5.787 15.910 181 HA SER 22 HA SER 22 -3.418 -7.864 15.920 182 HB2 SER 22 1HB SER 22 -5.677 -8.260 14.934 183 HB3 SER 22 2HB SER 22 -5.364 -7.010 13.731 184 HG SER 22 HG SER 22 -3.346 -8.787 13.713 185 H ALA 23 H ALA 23 -2.576 -5.009 16.034 186 HA ALA 23 HA ALA 23 -0.792 -4.901 13.701 187 HB1 ALA 23 3HB ALA 23 -2.636 -3.348 13.240 188 HB2 ALA 23 1HB ALA 23 -1.150 -2.458 13.563 189 HB3 ALA 23 2HB ALA 23 -2.404 -2.563 14.804 190 H LYS 24 H LYS 24 -0.102 -5.979 16.110 191 HA LYS 24 HA LYS 24 1.421 -4.233 17.740 192 HB2 LYS 24 1HB LYS 24 0.747 -6.606 18.305 193 HB3 LYS 24 2HB LYS 24 1.986 -7.169 17.185 194 HG2 LYS 24 1HG LYS 24 3.711 -6.017 18.549 195 HG3 LYS 24 2HG LYS 24 2.453 -5.497 19.674 196 HD2 LYS 24 1HD LYS 24 1.950 -7.865 20.182 197 HD3 LYS 24 2HD LYS 24 3.237 -8.369 19.080 198 HE2 LYS 24 1HE LYS 24 3.620 -6.668 21.567 199 HE3 LYS 24 2HE LYS 24 3.985 -8.391 21.446 200 HZ1 LYS 24 3HZ LYS 24 5.314 -6.183 19.970 201 HZ2 LYS 24 1HZ LYS 24 5.579 -7.825 19.665 202 HZ3 LYS 24 2HZ LYS 24 5.984 -7.169 21.165 203 H GLU 25 H GLU 25 3.921 -4.442 17.758 204 HA GLU 25 HA GLU 25 4.962 -2.790 15.896 205 HB2 GLU 25 1HB GLU 25 6.551 -4.968 17.299 206 HB3 GLU 25 2HB GLU 25 7.170 -3.411 16.763 207 HG2 GLU 25 1HG GLU 25 5.890 -2.256 18.459 208 HG3 GLU 25 2HG GLU 25 5.033 -3.735 18.883 209 H ASP 26 H ASP 26 4.909 -6.331 15.626 210 HA ASP 26 HA ASP 26 6.191 -6.152 12.954 211 HB2 ASP 26 1HB ASP 26 7.672 -7.069 14.841 212 HB3 ASP 26 2HB ASP 26 6.564 -8.431 14.936 213 H GLU 27 H GLU 27 3.268 -6.643 14.250 214 HA GLU 27 HA GLU 27 2.405 -9.075 13.047 215 HB2 GLU 27 1HB GLU 27 0.896 -6.590 13.965 216 HB3 GLU 27 2HB GLU 27 0.067 -7.943 13.197 217 HG2 GLU 27 1HG GLU 27 1.676 -8.106 15.755 218 HG3 GLU 27 2HG GLU 27 -0.078 -7.980 15.658 219 H LEU 28 H LEU 28 2.362 -5.701 12.024 220 HA LEU 28 HA LEU 28 1.934 -6.480 9.239 221 HB2 LEU 28 1HB LEU 28 1.997 -3.820 10.684 222 HB3 LEU 28 2HB LEU 28 2.196 -3.881 8.946 223 HG LEU 28 HG LEU 28 -0.131 -3.377 9.547 224 HD11 LEU 28 1HD1 LEU 28 0.295 -4.559 7.465 225 HD12 LEU 28 2HD1 LEU 28 -1.252 -5.018 8.162 226 HD13 LEU 28 3HD1 LEU 28 0.126 -6.118 8.283 227 HD21 LEU 28 3HD2 LEU 28 -0.217 -6.094 10.896 228 HD22 LEU 28 1HD2 LEU 28 -1.582 -4.997 10.658 229 HD23 LEU 28 2HD2 LEU 28 -0.253 -4.527 11.710 230 H ASP 29 H ASP 29 3.550 -6.926 8.038 231 HA ASP 29 HA ASP 29 6.210 -5.713 8.414 232 HB2 ASP 29 1HB ASP 29 6.152 -8.035 9.393 233 HB3 ASP 29 2HB ASP 29 5.653 -8.670 7.833 234 H ASP 30 H ASP 30 7.520 -6.163 6.429 235 HA ASP 30 HA ASP 30 6.414 -5.038 4.133 236 HB2 ASP 30 1HB ASP 30 8.798 -4.874 4.634 237 HB3 ASP 30 2HB ASP 30 8.962 -6.630 4.605 238 H GLN 31 H GLN 31 6.824 -8.392 5.077 239 HA GLN 31 HA GLN 31 6.004 -9.320 2.382 240 HB2 GLN 31 1HB GLN 31 7.911 -10.592 4.403 241 HB3 GLN 31 2HB GLN 31 7.421 -11.347 2.885 242 HG2 GLN 31 1HG GLN 31 8.529 -9.661 1.593 243 HG3 GLN 31 2HG GLN 31 8.806 -8.660 3.018 244 HE21 GLN 31 1HE2 GLN 31 11.000 -8.553 2.700 245 HE22 GLN 31 2HE2 GLN 31 12.063 -9.904 2.896 246 H THR 32 H THR 32 4.669 -8.776 5.204 247 HA THR 32 HA THR 32 3.296 -11.099 5.961 248 HB THR 32 HB THR 32 2.552 -8.159 6.131 249 HG1 THR 32 HG1 THR 32 3.729 -10.039 7.866 250 HG21 THR 32 3HG2 THR 32 0.804 -8.751 7.768 251 HG22 THR 32 1HG2 THR 32 1.095 -10.471 7.460 252 HG23 THR 32 2HG2 THR 32 0.438 -9.441 6.188 253 HA PRO 33 HA PRO 33 0.602 -11.545 2.298 254 HB2 PRO 33 1HB PRO 33 -0.989 -13.560 3.280 255 HB3 PRO 33 2HB PRO 33 0.651 -13.857 2.670 256 HG2 PRO 33 1HG PRO 33 -0.271 -13.554 5.515 257 HG3 PRO 33 2HG PRO 33 0.872 -14.734 4.828 258 HD2 PRO 33 1HD PRO 33 1.710 -12.500 6.153 259 HD3 PRO 33 2HD PRO 33 2.644 -13.204 4.811 260 H LEU 34 H LEU 34 -0.303 -9.483 2.550 261 HA LEU 34 HA LEU 34 -1.894 -8.573 4.682 262 HB2 LEU 34 1HB LEU 34 -1.720 -7.522 1.838 263 HB3 LEU 34 2HB LEU 34 -2.316 -6.615 3.219 264 HG LEU 34 HG LEU 34 0.554 -7.595 2.880 265 HD11 LEU 34 1HD1 LEU 34 -0.512 -4.776 2.552 266 HD12 LEU 34 2HD1 LEU 34 0.063 -5.839 1.263 267 HD13 LEU 34 3HD1 LEU 34 1.186 -5.272 2.495 268 HD21 LEU 34 3HD2 LEU 34 -0.069 -7.457 5.236 269 HD22 LEU 34 1HD2 LEU 34 -0.613 -5.790 5.020 270 HD23 LEU 34 2HD2 LEU 34 1.094 -6.202 4.821 271 H LEU 35 H LEU 35 -2.805 -9.940 1.535 272 HA LEU 35 HA LEU 35 -5.630 -9.523 1.771 273 HB2 LEU 35 1HB LEU 35 -4.108 -11.522 0.067 274 HB3 LEU 35 2HB LEU 35 -5.800 -11.082 -0.149 275 HG LEU 35 HG LEU 35 -3.423 -9.222 -0.515 276 HD11 LEU 35 1HD1 LEU 35 -5.223 -10.468 -2.598 277 HD12 LEU 35 2HD1 LEU 35 -3.546 -10.910 -2.257 278 HD13 LEU 35 3HD1 LEU 35 -3.921 -9.308 -2.880 279 HD21 LEU 35 3HD2 LEU 35 -5.360 -7.962 0.277 280 HD22 LEU 35 1HD2 LEU 35 -6.374 -8.666 -0.987 281 HD23 LEU 35 2HD2 LEU 35 -5.036 -7.596 -1.413 282 H GLU 36 H GLU 36 -3.443 -12.129 2.674 283 HA GLU 36 HA GLU 36 -5.393 -14.142 3.207 284 HB2 GLU 36 1HB GLU 36 -3.010 -14.644 2.759 285 HB3 GLU 36 2HB GLU 36 -2.549 -13.834 4.251 286 HG2 GLU 36 1HG GLU 36 -2.503 -16.256 4.536 287 HG3 GLU 36 2HG GLU 36 -3.752 -15.541 5.558 288 H TRP 37 H TRP 37 -3.824 -11.633 5.138 289 HA TRP 37 HA TRP 37 -5.087 -12.272 7.621 290 HB2 TRP 37 1HB TRP 37 -3.734 -9.766 6.544 291 HB3 TRP 37 2HB TRP 37 -4.503 -9.778 8.128 292 HD1 TRP 37 HD1 TRP 37 -2.180 -12.485 6.548 293 HE1 TRP 37 HE1 TRP 37 -0.248 -12.903 8.179 294 HE3 TRP 37 HE3 TRP 37 -3.319 -8.970 10.100 295 HZ2 TRP 37 HZ2 TRP 37 0.682 -11.913 10.632 296 HZ3 TRP 37 HZ3 TRP 37 -1.837 -8.767 12.064 297 HH2 TRP 37 HH2 TRP 37 0.124 -10.213 12.318 298 H GLY 38 H GLY 38 -6.195 -10.661 4.745 299 HA2 GLY 38 1HA GLY 38 -8.333 -10.092 4.111 300 HA3 GLY 38 2HA GLY 38 -8.921 -10.570 5.696 301 H ILE 39 H ILE 39 -6.314 -8.433 5.779 302 HA ILE 39 HA ILE 39 -7.874 -6.362 7.038 303 HB ILE 39 HB ILE 39 -5.674 -5.276 7.450 304 HG12 ILE 39 1HG1 ILE 39 -4.534 -7.570 5.772 305 HG13 ILE 39 2HG1 ILE 39 -4.497 -5.864 5.361 306 HG21 ILE 39 1HG2 ILE 39 -6.482 -6.950 9.038 307 HG22 ILE 39 2HG2 ILE 39 -4.727 -7.043 8.915 308 HG23 ILE 39 3HG2 ILE 39 -5.730 -8.250 8.107 309 HD11 ILE 39 3HD1 ILE 39 -2.991 -5.446 7.240 310 HD12 ILE 39 1HD1 ILE 39 -2.342 -6.633 6.111 311 HD13 ILE 39 2HD1 ILE 39 -3.029 -7.166 7.644 312 H LEU 40 H LEU 40 -6.803 -7.018 3.842 313 HA LEU 40 HA LEU 40 -7.299 -4.219 2.978 314 HB2 LEU 40 1HB LEU 40 -5.855 -6.442 1.463 315 HB3 LEU 40 2HB LEU 40 -6.158 -4.823 0.858 316 HG LEU 40 HG LEU 40 -4.215 -5.669 3.028 317 HD11 LEU 40 1HD1 LEU 40 -3.406 -5.826 0.738 318 HD12 LEU 40 2HD1 LEU 40 -2.562 -4.559 1.620 319 HD13 LEU 40 3HD1 LEU 40 -3.809 -4.126 0.446 320 HD21 LEU 40 3HD2 LEU 40 -5.353 -3.710 3.926 321 HD22 LEU 40 1HD2 LEU 40 -5.066 -2.810 2.430 322 HD23 LEU 40 2HD2 LEU 40 -3.709 -3.293 3.455 323 H ASN 41 H ASN 41 -9.315 -4.031 2.503 324 HA ASN 41 HA ASN 41 -10.701 -5.859 0.638 325 HB2 ASN 41 1HB ASN 41 -12.814 -5.366 1.858 326 HB3 ASN 41 2HB ASN 41 -11.645 -6.166 2.902 327 HD21 ASN 41 1HD2 ASN 41 -10.667 -4.970 4.594 328 HD22 ASN 41 2HD2 ASN 41 -11.321 -3.470 5.154 329 H SER 42 H SER 42 -12.854 -4.416 -0.041 330 HA SER 42 HA SER 42 -11.643 -2.496 -1.782 331 HB2 SER 42 2HB SER 42 -13.448 -4.029 -2.481 332 HB3 SER 42 1HB SER 42 -14.573 -3.198 -1.405 333 H MET 43 H MET 43 -13.513 -2.193 1.200 334 HA MET 43 HA MET 43 -14.295 0.547 0.788 335 HB2 MET 43 1HB MET 43 -14.322 -1.221 3.262 336 HB3 MET 43 2HB MET 43 -14.898 0.441 3.280 337 HG2 MET 43 1HG MET 43 -16.071 -1.408 1.234 338 HG3 MET 43 2HG MET 43 -16.558 -1.615 2.912 339 HE1 MET 43 3HE MET 43 -15.788 1.850 0.927 340 HE2 MET 43 1HE MET 43 -17.448 2.311 0.526 341 HE3 MET 43 2HE MET 43 -16.718 0.907 -0.238 342 H ASN 44 H ASN 44 -11.643 -1.036 2.581 343 HA ASN 44 HA ASN 44 -10.588 1.583 3.410 344 HB2 ASN 44 1HB ASN 44 -9.124 0.495 4.872 345 HB3 ASN 44 2HB ASN 44 -10.634 -0.398 4.997 346 HD21 ASN 44 1HD2 ASN 44 -7.862 -1.121 5.568 347 HD22 ASN 44 2HD2 ASN 44 -7.554 -2.555 4.667 348 H ILE 45 H ILE 45 -10.150 -0.544 0.749 349 HA ILE 45 HA ILE 45 -7.438 -0.205 0.139 350 HB ILE 45 HB ILE 45 -9.221 -1.688 -1.099 351 HG12 ILE 45 1HG1 ILE 45 -7.799 -1.730 -3.203 352 HG13 ILE 45 2HG1 ILE 45 -6.976 -0.291 -2.613 353 HG21 ILE 45 1HG2 ILE 45 -10.119 -0.840 -3.219 354 HG22 ILE 45 2HG2 ILE 45 -9.427 0.752 -2.899 355 HG23 ILE 45 3HG2 ILE 45 -10.715 0.133 -1.872 356 HD11 ILE 45 3HD1 ILE 45 -5.709 -2.334 -2.208 357 HD12 ILE 45 1HD1 ILE 45 -7.020 -2.971 -1.218 358 HD13 ILE 45 2HD1 ILE 45 -6.134 -1.533 -0.698 359 H VAL 46 H VAL 46 -10.145 1.993 -0.238 360 HA VAL 46 HA VAL 46 -8.793 3.955 -1.842 361 HB VAL 46 HB VAL 46 -10.709 5.429 -1.395 362 HG11 VAL 46 1HG1 VAL 46 -10.951 3.748 -3.178 363 HG12 VAL 46 2HG1 VAL 46 -12.509 4.049 -2.410 364 HG13 VAL 46 3HG1 VAL 46 -11.606 2.580 -2.026 365 HG21 VAL 46 3HG2 VAL 46 -12.620 4.745 0.030 366 HG22 VAL 46 1HG2 VAL 46 -11.139 4.926 0.976 367 HG23 VAL 46 2HG2 VAL 46 -11.720 3.319 0.548 368 H LYS 47 H LYS 47 -9.090 3.356 1.635 369 HA LYS 47 HA LYS 47 -8.176 5.849 2.633 370 HB2 LYS 47 1HB LYS 47 -7.809 3.061 3.834 371 HB3 LYS 47 2HB LYS 47 -7.579 4.571 4.704 372 HG2 LYS 47 1HG LYS 47 -10.223 3.624 3.540 373 HG3 LYS 47 2HG LYS 47 -9.736 3.444 5.227 374 HD2 LYS 47 1HD LYS 47 -10.059 6.100 3.775 375 HD3 LYS 47 2HD LYS 47 -11.255 5.387 4.858 376 HE2 LYS 47 1HE LYS 47 -9.550 5.484 6.716 377 HE3 LYS 47 2HE LYS 47 -8.459 6.324 5.616 378 HZ1 LYS 47 3HZ LYS 47 -9.639 7.822 7.074 379 HZ2 LYS 47 1HZ LYS 47 -11.122 7.291 6.465 380 HZ3 LYS 47 2HZ LYS 47 -10.043 8.111 5.459 381 H LEU 48 H LEU 48 -6.495 2.864 1.665 382 HA LEU 48 HA LEU 48 -3.858 3.854 2.077 383 HB2 LEU 48 1HB LEU 48 -4.962 1.568 0.411 384 HB3 LEU 48 2HB LEU 48 -3.243 1.935 0.463 385 HG LEU 48 HG LEU 48 -4.986 1.057 2.795 386 HD11 LEU 48 1HD1 LEU 48 -4.389 -0.780 1.293 387 HD12 LEU 48 2HD1 LEU 48 -3.573 -0.935 2.846 388 HD13 LEU 48 3HD1 LEU 48 -2.674 -0.362 1.438 389 HD21 LEU 48 3HD2 LEU 48 -2.954 1.099 4.179 390 HD22 LEU 48 1HD2 LEU 48 -3.373 2.706 3.591 391 HD23 LEU 48 2HD2 LEU 48 -2.049 1.812 2.840 392 H MET 49 H MET 49 -5.963 3.701 -0.852 393 HA MET 49 HA MET 49 -4.035 4.645 -2.651 394 HB2 MET 49 1HB MET 49 -7.060 4.667 -2.771 395 HB3 MET 49 2HB MET 49 -6.107 5.399 -4.055 396 HG2 MET 49 1HG MET 49 -4.908 3.138 -4.245 397 HG3 MET 49 2HG MET 49 -6.210 2.489 -3.251 398 HE1 MET 49 3HE MET 49 -8.880 3.777 -4.192 399 HE2 MET 49 1HE MET 49 -8.615 2.032 -4.105 400 HE3 MET 49 2HE MET 49 -9.302 2.743 -5.560 401 H VAL 50 H VAL 50 -6.275 6.522 -0.611 402 HA VAL 50 HA VAL 50 -5.626 9.074 -1.783 403 HB VAL 50 HB VAL 50 -6.880 10.125 0.047 404 HG11 VAL 50 1HG1 VAL 50 -8.368 7.670 -0.969 405 HG12 VAL 50 2HG1 VAL 50 -8.191 9.198 -1.836 406 HG13 VAL 50 3HG1 VAL 50 -9.107 9.141 -0.329 407 HG21 VAL 50 3HG2 VAL 50 -7.903 8.822 1.897 408 HG22 VAL 50 1HG2 VAL 50 -6.141 8.725 1.936 409 HG23 VAL 50 2HG2 VAL 50 -7.081 7.367 1.323 410 H TYR 51 H TYR 51 -4.383 7.127 0.870 411 HA TYR 51 HA TYR 51 -2.717 9.046 2.121 412 HB2 TYR 51 1HB TYR 51 -3.323 6.930 3.209 413 HB3 TYR 51 2HB TYR 51 -2.491 6.006 1.960 414 HD1 TYR 51 HD1 TYR 51 -1.928 8.498 4.699 415 HD2 TYR 51 HD2 TYR 51 -0.151 5.501 2.211 416 HE1 TYR 51 HE1 TYR 51 0.138 8.613 6.030 417 HE2 TYR 51 HE2 TYR 51 1.902 5.607 3.532 418 HH TYR 51 HH TYR 51 3.043 7.391 5.005 419 H ILE 52 H ILE 52 -1.956 6.499 -0.306 420 HA ILE 52 HA ILE 52 0.688 7.324 -0.887 421 HB ILE 52 HB ILE 52 -1.296 5.653 -2.497 422 HG12 ILE 52 1HG1 ILE 52 0.422 3.808 -2.074 423 HG13 ILE 52 2HG1 ILE 52 1.282 4.924 -1.026 424 HG21 ILE 52 1HG2 ILE 52 0.065 6.765 -4.197 425 HG22 ILE 52 2HG2 ILE 52 0.501 5.059 -4.107 426 HG23 ILE 52 3HG2 ILE 52 1.555 6.276 -3.374 427 HD11 ILE 52 3HD1 ILE 52 -1.515 3.886 -0.594 428 HD12 ILE 52 1HD1 ILE 52 -0.628 4.962 0.490 429 HD13 ILE 52 2HD1 ILE 52 -0.050 3.321 0.207 430 H ARG 53 H ARG 53 -2.437 8.416 -2.069 431 HA ARG 53 HA ARG 53 -1.609 9.845 -4.353 432 HB2 ARG 53 1HB ARG 53 -3.963 9.201 -3.924 433 HB3 ARG 53 2HB ARG 53 -4.043 10.343 -2.590 434 HG2 ARG 53 1HG ARG 53 -5.132 11.215 -4.623 435 HG3 ARG 53 2HG ARG 53 -3.759 12.217 -4.141 436 HD2 ARG 53 1HD ARG 53 -2.352 11.075 -5.834 437 HD3 ARG 53 2HD ARG 53 -3.754 10.121 -6.333 438 HE ARG 53 HE ARG 53 -4.791 12.415 -6.817 439 HH11 ARG 53 1HH1 ARG 53 -1.361 11.728 -7.256 440 HH12 ARG 53 2HH1 ARG 53 -1.162 12.914 -8.501 441 HH21 ARG 53 1HH2 ARG 53 -4.503 13.964 -8.449 442 HH22 ARG 53 2HH2 ARG 53 -2.942 14.177 -9.173 443 H ASP 54 H ASP 54 -1.817 10.822 -0.937 444 HA ASP 54 HA ASP 54 -0.995 13.568 -1.517 445 HB2 ASP 54 1HB ASP 54 -1.648 12.072 1.051 446 HB3 ASP 54 2HB ASP 54 -0.897 13.662 1.108 447 H GLU 55 H GLU 55 0.401 10.829 0.285 448 HA GLU 55 HA GLU 55 2.807 12.146 0.985 449 HB2 GLU 55 1HB GLU 55 2.178 9.163 0.935 450 HB3 GLU 55 2HB GLU 55 3.534 9.906 1.775 451 HG2 GLU 55 1HG GLU 55 0.599 10.346 2.394 452 HG3 GLU 55 2HG GLU 55 1.717 9.344 3.319 453 H MET 56 H MET 56 2.282 9.441 -1.323 454 HA MET 56 HA MET 56 4.907 9.827 -2.519 455 HB2 MET 56 1HB MET 56 2.791 7.707 -2.679 456 HB3 MET 56 2HB MET 56 3.834 7.878 -4.082 457 HG2 MET 56 1HG MET 56 4.644 6.160 -2.535 458 HG3 MET 56 2HG MET 56 5.796 7.470 -2.731 459 HE1 MET 56 3HE MET 56 3.192 6.911 1.055 460 HE2 MET 56 1HE MET 56 3.137 5.814 -0.326 461 HE3 MET 56 2HE MET 56 2.529 7.465 -0.483 462 H GLY 57 H GLY 57 1.725 10.959 -3.067 463 HA2 GLY 57 1HA GLY 57 0.924 12.484 -4.591 464 HA3 GLY 57 2HA GLY 57 2.500 12.517 -5.363 465 H VAL 58 H VAL 58 0.966 9.423 -4.974 466 HA VAL 58 HA VAL 58 0.839 9.191 -7.924 467 HB VAL 58 HB VAL 58 1.120 6.985 -5.840 468 HG11 VAL 58 1HG1 VAL 58 1.364 6.828 -8.867 469 HG12 VAL 58 2HG1 VAL 58 0.064 6.144 -7.889 470 HG13 VAL 58 3HG1 VAL 58 1.703 5.509 -7.743 471 HG21 VAL 58 3HG2 VAL 58 3.488 6.828 -6.546 472 HG22 VAL 58 1HG2 VAL 58 3.115 8.400 -5.832 473 HG23 VAL 58 2HG2 VAL 58 3.267 8.239 -7.583 474 H SER 59 H SER 59 -1.117 9.051 -8.814 475 HA SER 59 HA SER 59 -3.492 8.327 -7.302 476 HB2 SER 59 1HB SER 59 -4.632 8.773 -9.551 477 HB3 SER 59 2HB SER 59 -3.784 10.141 -8.836 478 HG SER 59 HG SER 59 -3.474 9.217 -11.238 479 H ILE 60 H ILE 60 -3.833 6.222 -6.954 480 HA ILE 60 HA ILE 60 -3.044 4.167 -8.897 481 HB ILE 60 HB ILE 60 -4.312 3.862 -6.135 482 HG12 ILE 60 1HG1 ILE 60 -1.410 3.429 -6.989 483 HG13 ILE 60 2HG1 ILE 60 -1.996 4.794 -6.047 484 HG21 ILE 60 1HG2 ILE 60 -3.714 1.461 -6.321 485 HG22 ILE 60 2HG2 ILE 60 -3.192 1.722 -7.987 486 HG23 ILE 60 3HG2 ILE 60 -4.891 1.948 -7.543 487 HD11 ILE 60 3HD1 ILE 60 -0.895 3.197 -4.613 488 HD12 ILE 60 1HD1 ILE 60 -1.958 1.900 -5.162 489 HD13 ILE 60 2HD1 ILE 60 -2.613 3.243 -4.219 490 HA PRO 61 HA PRO 61 -7.403 4.242 -10.329 491 HB2 PRO 61 1HB PRO 61 -7.034 2.866 -12.640 492 HB3 PRO 61 2HB PRO 61 -6.463 4.541 -12.468 493 HG2 PRO 61 1HG PRO 61 -4.881 1.988 -12.222 494 HG3 PRO 61 2HG PRO 61 -4.476 3.480 -13.106 495 HD2 PRO 61 1HD PRO 61 -3.511 2.906 -10.601 496 HD3 PRO 61 2HD PRO 61 -3.740 4.565 -11.198 497 H SER 62 H SER 62 -9.027 2.558 -10.741 498 HA SER 62 HA SER 62 -8.894 0.409 -8.885 499 HB2 SER 62 1HB SER 62 -11.172 -0.194 -9.903 500 HB3 SER 62 2HB SER 62 -11.025 1.425 -9.221 501 HG SER 62 HG SER 62 -11.451 2.203 -11.106 502 H THR 63 H THR 63 -8.117 0.591 -12.290 503 HA THR 63 HA THR 63 -8.216 -2.214 -12.872 504 HB THR 63 HB THR 63 -8.329 -0.483 -14.671 505 HG1 THR 63 HG1 THR 63 -6.621 -2.654 -14.703 506 HG21 THR 63 3HG2 THR 63 -6.283 0.639 -15.474 507 HG22 THR 63 1HG2 THR 63 -5.378 -0.018 -14.099 508 HG23 THR 63 2HG2 THR 63 -6.680 1.141 -13.832 509 H HIS 64 H HIS 64 -5.901 -0.160 -11.272 510 HA HIS 64 HA HIS 64 -3.821 -2.245 -11.262 511 HB2 HIS 64 1HB HIS 64 -3.777 0.713 -10.656 512 HB3 HIS 64 2HB HIS 64 -2.582 -0.318 -9.868 513 HD1 HIS 64 HD1 HIS 64 -3.182 1.448 -13.003 514 HD2 HIS 64 HD2 HIS 64 -0.986 -1.855 -11.804 515 HE1 HIS 64 HE1 HIS 64 -1.552 1.021 -14.850 516 HE2 HIS 64 HE2 HIS 64 -0.165 -0.917 -14.045 517 H ILE 65 H ILE 65 -6.495 -1.326 -9.400 518 HA ILE 65 HA ILE 65 -5.554 -2.501 -6.926 519 HB ILE 65 HB ILE 65 -8.460 -2.260 -7.844 520 HG12 ILE 65 1HG1 ILE 65 -7.455 -0.022 -7.764 521 HG13 ILE 65 2HG1 ILE 65 -8.567 -0.213 -6.415 522 HG21 ILE 65 1HG2 ILE 65 -8.997 -2.491 -5.412 523 HG22 ILE 65 2HG2 ILE 65 -7.283 -2.739 -5.060 524 HG23 ILE 65 3HG2 ILE 65 -8.163 -3.915 -6.040 525 HD11 ILE 65 3HD1 ILE 65 -6.543 0.961 -5.817 526 HD12 ILE 65 1HD1 ILE 65 -5.565 -0.429 -6.258 527 HD13 ILE 65 2HD1 ILE 65 -6.695 -0.533 -4.903 528 H THR 66 H THR 66 -4.691 -4.456 -7.284 529 HA THR 66 HA THR 66 -6.498 -6.642 -7.943 530 HB THR 66 HB THR 66 -5.561 -6.247 -10.144 531 HG1 THR 66 HG1 THR 66 -5.525 -8.344 -10.238 532 HG21 THR 66 3HG2 THR 66 -3.508 -5.021 -9.533 533 HG22 THR 66 1HG2 THR 66 -3.147 -6.360 -10.624 534 HG23 THR 66 2HG2 THR 66 -2.799 -6.510 -8.900 535 H GLY 67 H GLY 67 -5.820 -8.643 -7.138 536 HA2 GLY 67 1HA GLY 67 -4.612 -8.570 -4.593 537 HA3 GLY 67 2HA GLY 67 -5.031 -10.020 -5.502 538 H LYS 68 H LYS 68 -3.285 -9.158 -7.750 539 HA LYS 68 HA LYS 68 -0.872 -10.417 -7.248 540 HB2 LYS 68 1HB LYS 68 -1.693 -9.946 -9.506 541 HB3 LYS 68 2HB LYS 68 -1.549 -8.210 -9.241 542 HG2 LYS 68 1HG LYS 68 0.921 -8.452 -9.090 543 HG3 LYS 68 2HG LYS 68 0.754 -10.188 -9.392 544 HD2 LYS 68 1HD LYS 68 -0.251 -9.696 -11.616 545 HD3 LYS 68 2HD LYS 68 -0.053 -7.962 -11.318 546 HE2 LYS 68 1HE LYS 68 1.765 -8.839 -12.738 547 HE3 LYS 68 2HE LYS 68 2.398 -8.267 -11.193 548 HZ1 LYS 68 3HZ LYS 68 1.824 -11.100 -11.878 549 HZ2 LYS 68 1HZ LYS 68 2.458 -10.549 -10.411 550 HZ3 LYS 68 2HZ LYS 68 3.353 -10.392 -11.832 551 H TYR 69 H TYR 69 -1.649 -6.946 -7.081 552 HA TYR 69 HA TYR 69 1.025 -6.199 -6.245 553 HB2 TYR 69 1HB TYR 69 -1.481 -4.548 -6.725 554 HB3 TYR 69 2HB TYR 69 0.062 -3.850 -6.238 555 HD1 TYR 69 HD1 TYR 69 1.946 -5.483 -7.927 556 HD2 TYR 69 HD2 TYR 69 -1.787 -3.645 -8.904 557 HE1 TYR 69 HE1 TYR 69 2.649 -5.303 -10.274 558 HE2 TYR 69 HE2 TYR 69 -1.092 -3.477 -11.245 559 HH TYR 69 HH TYR 69 1.656 -5.062 -12.497 560 H PHE 70 H PHE 70 -2.222 -6.331 -4.781 561 HA PHE 70 HA PHE 70 -1.210 -5.186 -2.294 562 HB2 PHE 70 1HB PHE 70 -4.003 -5.996 -3.197 563 HB3 PHE 70 2HB PHE 70 -3.645 -5.345 -1.594 564 HD1 PHE 70 HD2 PHE 70 -2.739 -3.018 -1.351 565 HD2 PHE 70 HD1 PHE 70 -4.053 -4.520 -5.139 566 HE1 PHE 70 HE2 PHE 70 -2.773 -0.734 -2.255 567 HE2 PHE 70 HE1 PHE 70 -4.072 -2.229 -6.034 568 HZ PHE 70 HZ PHE 70 -3.433 -0.335 -4.593 569 H LYS 71 H LYS 71 -0.731 -8.043 -3.499 570 HA LYS 71 HA LYS 71 -1.343 -10.044 -1.674 571 HB2 LYS 71 1HB LYS 71 -0.082 -10.156 -3.935 572 HB3 LYS 71 2HB LYS 71 1.354 -9.658 -3.057 573 HG2 LYS 71 1HG LYS 71 1.563 -11.984 -3.194 574 HG3 LYS 71 2HG LYS 71 0.939 -11.728 -1.560 575 HD2 LYS 71 1HD LYS 71 -0.265 -13.583 -2.592 576 HD3 LYS 71 2HD LYS 71 -1.370 -12.219 -2.403 577 HE2 LYS 71 1HE LYS 71 -0.947 -11.623 -4.817 578 HE3 LYS 71 2HE LYS 71 0.019 -13.091 -4.968 579 HZ1 LYS 71 3HZ LYS 71 -2.864 -12.929 -4.316 580 HZ2 LYS 71 1HZ LYS 71 -1.959 -14.358 -4.352 581 HZ3 LYS 71 2HZ LYS 71 -2.177 -13.463 -5.763 582 H ASP 72 H ASP 72 1.459 -7.899 -1.832 583 HA ASP 72 HA ASP 72 1.771 -7.640 1.017 584 HB2 ASP 72 1HB ASP 72 4.116 -8.459 1.083 585 HB3 ASP 72 2HB ASP 72 3.016 -9.759 0.643 586 H LEU 73 H LEU 73 3.887 -6.195 1.331 587 HA LEU 73 HA LEU 73 3.220 -3.748 0.061 588 HB2 LEU 73 1HB LEU 73 5.512 -4.594 1.831 589 HB3 LEU 73 2HB LEU 73 5.348 -2.942 1.260 590 HG LEU 73 HG LEU 73 3.337 -4.398 3.016 591 HD11 LEU 73 1HD1 LEU 73 4.113 -2.946 4.772 592 HD12 LEU 73 2HD1 LEU 73 5.254 -2.152 3.686 593 HD13 LEU 73 3HD1 LEU 73 5.479 -3.843 4.126 594 HD21 LEU 73 3HD2 LEU 73 3.378 -1.527 2.008 595 HD22 LEU 73 1HD2 LEU 73 2.239 -2.187 3.190 596 HD23 LEU 73 2HD2 LEU 73 2.237 -2.786 1.532 597 H ASN 74 H ASN 74 5.778 -6.099 -0.626 598 HA ASN 74 HA ASN 74 7.435 -4.362 -2.143 599 HB2 ASN 74 1HB ASN 74 7.092 -7.379 -2.381 600 HB3 ASN 74 2HB ASN 74 8.400 -6.467 -3.111 601 HD21 ASN 74 1HD2 ASN 74 7.112 -7.784 -0.176 602 HD22 ASN 74 2HD2 ASN 74 8.472 -7.435 0.835 603 H ALA 75 H ALA 75 4.664 -6.337 -2.924 604 HA ALA 75 HA ALA 75 4.710 -5.867 -5.775 605 HB1 ALA 75 3HB ALA 75 2.609 -7.107 -3.976 606 HB2 ALA 75 1HB ALA 75 3.898 -7.977 -4.810 607 HB3 ALA 75 2HB ALA 75 2.629 -7.174 -5.740 608 H ILE 76 H ILE 76 3.084 -4.448 -2.942 609 HA ILE 76 HA ILE 76 1.303 -2.735 -4.357 610 HB ILE 76 HB ILE 76 2.581 -2.346 -1.605 611 HG12 ILE 76 1HG1 ILE 76 -0.172 -3.395 -2.389 612 HG13 ILE 76 2HG1 ILE 76 1.142 -4.340 -1.706 613 HG21 ILE 76 1HG2 ILE 76 1.854 -0.156 -2.471 614 HG22 ILE 76 2HG2 ILE 76 0.841 -0.669 -1.126 615 HG23 ILE 76 3HG2 ILE 76 0.236 -0.799 -2.778 616 HD11 ILE 76 3HD1 ILE 76 -0.569 -3.888 -0.057 617 HD12 ILE 76 1HD1 ILE 76 -0.389 -2.150 -0.295 618 HD13 ILE 76 2HD1 ILE 76 0.937 -3.091 0.397 619 H SER 77 H SER 77 4.634 -2.319 -3.217 620 HA SER 77 HA SER 77 4.879 0.444 -3.831 621 HB2 SER 77 1HB SER 77 7.324 0.072 -3.412 622 HB3 SER 77 2HB SER 77 6.302 -0.555 -2.125 623 HG SER 77 HG SER 77 6.813 -2.555 -2.659 624 H ARG 78 H ARG 78 5.682 -2.541 -5.579 625 HA ARG 78 HA ARG 78 7.374 -1.423 -7.506 626 HB2 ARG 78 1HB ARG 78 7.207 -3.466 -8.746 627 HB3 ARG 78 2HB ARG 78 7.161 -3.891 -7.040 628 HG2 ARG 78 1HG ARG 78 4.681 -4.104 -7.206 629 HG3 ARG 78 2HG ARG 78 4.795 -3.782 -8.935 630 HD2 ARG 78 1HD ARG 78 6.048 -6.129 -7.469 631 HD3 ARG 78 2HD ARG 78 4.587 -6.195 -8.461 632 HE ARG 78 HE ARG 78 6.618 -5.162 -10.051 633 HH11 ARG 78 1HH1 ARG 78 5.940 -8.227 -8.459 634 HH12 ARG 78 2HH1 ARG 78 6.826 -9.152 -9.629 635 HH21 ARG 78 1HH2 ARG 78 7.776 -6.391 -11.548 636 HH22 ARG 78 2HH2 ARG 78 7.861 -8.116 -11.365 637 H THR 79 H THR 79 3.840 -1.658 -7.395 638 HA THR 79 HA THR 79 3.513 -0.658 -10.103 639 HB THR 79 HB THR 79 1.846 -2.291 -9.025 640 HG1 THR 79 HG1 THR 79 1.300 0.036 -10.462 641 HG21 THR 79 3HG2 THR 79 0.812 0.248 -7.696 642 HG22 THR 79 1HG2 THR 79 1.529 -1.136 -6.852 643 HG23 THR 79 2HG2 THR 79 0.003 -1.326 -7.712 644 H VAL 80 H VAL 80 3.492 0.647 -6.793 645 HA VAL 80 HA VAL 80 2.322 3.195 -7.404 646 HB VAL 80 HB VAL 80 4.086 2.289 -5.078 647 HG11 VAL 80 1HG1 VAL 80 4.484 4.704 -5.339 648 HG12 VAL 80 2HG1 VAL 80 3.495 4.416 -3.906 649 HG13 VAL 80 3HG1 VAL 80 2.745 5.011 -5.388 650 HG21 VAL 80 3HG2 VAL 80 1.987 2.400 -3.762 651 HG22 VAL 80 1HG2 VAL 80 1.820 1.309 -5.141 652 HG23 VAL 80 2HG2 VAL 80 1.111 2.923 -5.203 653 H GLU 81 H GLU 81 5.587 1.926 -7.383 654 HA GLU 81 HA GLU 81 6.950 4.418 -7.843 655 HB2 GLU 81 1HB GLU 81 7.904 1.519 -7.908 656 HB3 GLU 81 2HB GLU 81 8.967 2.912 -8.112 657 HG2 GLU 81 1HG GLU 81 7.355 2.203 -5.651 658 HG3 GLU 81 2HG GLU 81 9.105 2.122 -5.835 659 H GLN 82 H GLN 82 5.915 1.651 -9.770 660 HA GLN 82 HA GLN 82 6.945 2.476 -12.279 661 HB2 GLN 82 1HB GLN 82 6.034 0.193 -11.894 662 HB3 GLN 82 2HB GLN 82 4.421 0.862 -11.680 663 HG2 GLN 82 1HG GLN 82 4.623 -0.119 -13.898 664 HG3 GLN 82 2HG GLN 82 4.428 1.628 -14.039 665 HE21 GLN 82 1HE2 GLN 82 5.358 1.701 -16.098 666 HE22 GLN 82 2HE2 GLN 82 7.044 1.463 -16.380 667 H LEU 83 H LEU 83 3.775 2.978 -10.760 668 HA LEU 83 HA LEU 83 2.605 4.641 -12.717 669 HB2 LEU 83 1HB LEU 83 2.013 3.847 -9.885 670 HB3 LEU 83 2HB LEU 83 1.288 5.345 -10.388 671 HG LEU 83 HG LEU 83 -0.055 4.291 -12.054 672 HD11 LEU 83 1HD1 LEU 83 1.464 1.714 -11.602 673 HD12 LEU 83 2HD1 LEU 83 1.544 2.754 -13.028 674 HD13 LEU 83 3HD1 LEU 83 0.041 1.918 -12.635 675 HD21 LEU 83 3HD2 LEU 83 -0.929 4.088 -9.782 676 HD22 LEU 83 1HD2 LEU 83 -0.084 2.550 -9.565 677 HD23 LEU 83 2HD2 LEU 83 -1.394 2.687 -10.744 678 H LYS 84 H LYS 84 4.703 5.334 -9.974 679 HA LYS 84 HA LYS 84 4.354 8.190 -10.001 680 HB2 LYS 84 1HB LYS 84 5.157 6.814 -7.994 681 HB3 LYS 84 2HB LYS 84 6.706 6.637 -8.812 682 HG2 LYS 84 1HG LYS 84 7.073 9.060 -8.737 683 HG3 LYS 84 2HG LYS 84 5.459 9.310 -8.069 684 HD2 LYS 84 1HD LYS 84 7.071 9.497 -6.277 685 HD3 LYS 84 2HD LYS 84 6.145 8.013 -6.028 686 HE2 LYS 84 1HE LYS 84 8.040 6.750 -7.110 687 HE3 LYS 84 2HE LYS 84 8.957 8.259 -7.152 688 HZ1 LYS 84 3HZ LYS 84 9.597 7.012 -5.252 689 HZ2 LYS 84 1HZ LYS 84 7.999 6.799 -4.756 690 HZ3 LYS 84 2HZ LYS 84 8.705 8.336 -4.700 691 H ALA 85 H ALA 85 6.646 5.870 -11.411 692 HA ALA 85 HA ALA 85 8.555 7.684 -12.448 693 HB1 ALA 85 3HB ALA 85 8.997 5.250 -12.204 694 HB2 ALA 85 1HB ALA 85 9.311 5.801 -13.854 695 HB3 ALA 85 2HB ALA 85 7.831 4.908 -13.487 696 H GLU 86 H GLU 86 5.701 6.129 -13.880 697 HA GLU 86 HA GLU 86 5.929 7.200 -16.483 698 HB2 GLU 86 1HB GLU 86 3.379 6.216 -15.109 699 HB3 GLU 86 2HB GLU 86 3.617 6.418 -16.843 700 HG2 GLU 86 1HG GLU 86 4.843 4.344 -15.021 701 HG3 GLU 86 2HG GLU 86 3.782 4.082 -16.392 702 H SER 87 H SER 87 3.941 8.203 -13.667 703 HA SER 87 HA SER 87 2.702 10.408 -14.951 704 HB2 SER 87 1HB SER 87 2.039 11.140 -12.655 705 HB3 SER 87 2HB SER 87 1.683 9.441 -12.953 706 HG SER 87 HG SER 87 2.931 8.949 -11.361 707 H ALA 88 H ALA 88 5.733 10.094 -13.185 708 HA ALA 88 HA ALA 88 6.333 12.863 -12.906 709 HB1 ALA 88 3HB ALA 88 8.235 10.487 -12.973 710 HB2 ALA 88 1HB ALA 88 7.460 11.155 -11.535 711 HB3 ALA 88 2HB ALA 88 8.643 12.115 -12.422 712 H LEU 89 H LEU 89 6.853 10.492 -15.479 713 HA LEU 89 HA LEU 89 8.445 12.189 -17.174 714 HB2 LEU 89 1HB LEU 89 6.839 9.667 -17.787 715 HB3 LEU 89 2HB LEU 89 7.845 10.491 -18.966 716 HG LEU 89 HG LEU 89 8.833 9.169 -16.423 717 HD11 LEU 89 1HD1 LEU 89 9.904 7.541 -17.913 718 HD12 LEU 89 2HD1 LEU 89 9.149 8.313 -19.311 719 HD13 LEU 89 3HD1 LEU 89 8.150 7.531 -18.082 720 HD21 LEU 89 3HD2 LEU 89 10.218 11.120 -16.931 721 HD22 LEU 89 1HD2 LEU 89 10.444 10.563 -18.593 722 HD23 LEU 89 2HD2 LEU 89 11.110 9.637 -17.246 723 H GLU 90 H GLU 90 4.992 11.707 -16.654 724 HA GLU 90 HA GLU 90 4.127 13.080 -19.047 725 HB2 GLU 90 1HB GLU 90 2.568 12.377 -16.520 726 HB3 GLU 90 2HB GLU 90 1.868 12.941 -18.036 727 HG2 GLU 90 1HG GLU 90 2.731 10.900 -19.164 728 HG3 GLU 90 2HG GLU 90 3.353 10.337 -17.618 729 H282 PNS 101 2H28 PNS 142 -14.136 -2.854 -6.871 730 H281 PNS 101 3H28 PNS 142 -12.889 -2.462 -5.711 731 H303 PNS 101 2H51 PNS 142 -14.499 -5.802 -6.022 732 H302 PNS 101 3H51 PNS 142 -13.321 -6.483 -7.138 733 H301 PNS 101 1H51 PNS 142 -14.441 -5.229 -7.694 734 H313 PNS 101 2H52 PNS 142 -11.324 -4.205 -4.930 735 H312 PNS 101 3H52 PNS 142 -12.695 -5.178 -4.398 736 H311 PNS 101 1H52 PNS 142 -11.484 -5.878 -5.479 737 H32 PNS 101 H32 PNS 142 -12.469 -3.799 -8.464 738 H33 PNS 101 H33 PNS 142 -10.396 -2.942 -8.014 739 H36 PNS 101 H36 PNS 142 -9.695 -5.021 -6.779 740 H372 PNS 101 2H37 PNS 142 -8.117 -6.599 -7.222 741 H371 PNS 101 3H37 PNS 142 -8.923 -6.944 -8.750 742 H382 PNS 101 2H38 PNS 142 -8.900 -8.918 -7.259 743 H381 PNS 101 3H38 PNS 142 -10.541 -8.373 -7.600 744 H41 PNS 101 H41 PNS 142 -8.831 -6.393 -5.336 745 H422 PNS 101 2H42 PNS 142 -10.594 -6.373 -3.301 746 H421 PNS 101 3H42 PNS 142 -9.544 -7.751 -2.900 747 H431 PNS 101 2H43 PNS 142 -8.643 -4.877 -3.348 748 H432 PNS 101 3H43 PNS 142 -8.698 -5.732 -1.795 749 H44 PNS 101 H44 PNS 142 -6.023 -5.641 -2.623 Start of MODEL 8 1 H1 MET 1 1H MET 1 17.371 8.357 -1.185 2 H2 MET 1 2H MET 1 16.295 9.648 -1.094 3 H3 MET 1 3H MET 1 17.280 9.471 -2.453 4 HA MET 1 HA MET 1 15.135 8.778 -3.042 5 HB2 MET 1 1HB MET 1 17.008 7.423 -3.938 6 HB3 MET 1 2HB MET 1 16.930 6.363 -2.539 7 HG2 MET 1 1HG MET 1 14.677 5.626 -3.219 8 HG3 MET 1 2HG MET 1 14.752 6.691 -4.626 9 HE1 MET 1 3HE MET 1 15.092 3.142 -6.292 10 HE2 MET 1 1HE MET 1 14.198 4.660 -6.274 11 HE3 MET 1 2HE MET 1 14.081 3.551 -4.906 12 H ASP 2 H ASP 2 13.176 7.835 -2.533 13 HA ASP 2 HA ASP 2 12.543 7.239 0.165 14 HB2 ASP 2 1HB ASP 2 10.342 6.319 -0.854 15 HB3 ASP 2 2HB ASP 2 10.677 8.042 -0.964 16 H GLY 3 H GLY 3 12.307 5.038 -2.622 17 HA2 GLY 3 1HA GLY 3 12.404 2.788 -2.847 18 HA3 GLY 3 2HA GLY 3 13.744 2.861 -1.716 19 H GLU 4 H GLU 4 13.269 2.653 0.535 20 HA GLU 4 HA GLU 4 11.323 0.498 0.955 21 HB2 GLU 4 1HB GLU 4 12.588 0.033 3.001 22 HB3 GLU 4 2HB GLU 4 13.683 0.152 1.625 23 HG2 GLU 4 1HG GLU 4 14.322 2.419 2.295 24 HG3 GLU 4 2HG GLU 4 13.188 2.363 3.642 25 H GLU 5 H GLU 5 11.760 3.882 1.860 26 HA GLU 5 HA GLU 5 10.210 3.816 4.234 27 HB2 GLU 5 1HB GLU 5 10.107 6.195 4.203 28 HB3 GLU 5 2HB GLU 5 11.697 5.757 3.599 29 HG2 GLU 5 1HG GLU 5 11.042 6.252 1.337 30 HG3 GLU 5 2HG GLU 5 9.369 6.526 1.826 31 H VAL 6 H VAL 6 9.408 4.063 0.823 32 HA VAL 6 HA VAL 6 6.683 4.637 0.845 33 HB VAL 6 HB VAL 6 8.252 2.718 -0.937 34 HG11 VAL 6 1HG1 VAL 6 6.393 2.869 -2.594 35 HG12 VAL 6 2HG1 VAL 6 5.420 3.745 -1.411 36 HG13 VAL 6 3HG1 VAL 6 5.886 2.073 -1.102 37 HG21 VAL 6 3HG2 VAL 6 9.009 5.063 -1.026 38 HG22 VAL 6 1HG2 VAL 6 7.369 5.589 -1.431 39 HG23 VAL 6 2HG2 VAL 6 8.276 4.576 -2.558 40 H LYS 7 H LYS 7 8.305 1.491 1.153 41 HA LYS 7 HA LYS 7 6.049 -0.137 1.415 42 HB2 LYS 7 1HB LYS 7 8.933 -0.478 2.301 43 HB3 LYS 7 2HB LYS 7 7.741 -1.706 2.661 44 HG2 LYS 7 1HG LYS 7 8.947 -2.422 0.776 45 HG3 LYS 7 2HG LYS 7 7.366 -1.905 0.182 46 HD2 LYS 7 1HD LYS 7 8.228 -0.107 -0.997 47 HD3 LYS 7 2HD LYS 7 9.521 0.187 0.165 48 HE2 LYS 7 1HE LYS 7 10.841 -1.569 -0.709 49 HE3 LYS 7 2HE LYS 7 9.510 -2.187 -1.684 50 HZ1 LYS 7 3HZ LYS 7 9.642 -0.286 -3.097 51 HZ2 LYS 7 1HZ LYS 7 11.205 -0.909 -2.942 52 HZ3 LYS 7 2HZ LYS 7 10.754 0.473 -2.082 53 H GLU 8 H GLU 8 8.244 1.045 4.010 54 HA GLU 8 HA GLU 8 6.686 -0.027 6.124 55 HB2 GLU 8 1HB GLU 8 8.109 1.312 7.649 56 HB3 GLU 8 2HB GLU 8 9.082 0.485 6.433 57 HG2 GLU 8 1HG GLU 8 9.405 2.515 5.192 58 HG3 GLU 8 2HG GLU 8 8.237 3.388 6.180 59 H LYS 9 H LYS 9 6.446 3.096 4.474 60 HA LYS 9 HA LYS 9 4.803 4.461 6.345 61 HB2 LYS 9 1HB LYS 9 5.272 4.748 3.372 62 HB3 LYS 9 2HB LYS 9 3.949 5.643 4.108 63 HG2 LYS 9 1HG LYS 9 5.516 6.767 5.621 64 HG3 LYS 9 2HG LYS 9 6.860 5.841 4.947 65 HD2 LYS 9 1HD LYS 9 6.545 6.914 2.763 66 HD3 LYS 9 2HD LYS 9 5.121 7.774 3.362 67 HE2 LYS 9 1HE LYS 9 7.943 8.130 4.437 68 HE3 LYS 9 2HE LYS 9 7.160 9.214 3.288 69 HZ1 LYS 9 3HZ LYS 9 7.040 10.042 5.553 70 HZ2 LYS 9 1HZ LYS 9 6.203 8.652 6.041 71 HZ3 LYS 9 2HZ LYS 9 5.494 9.727 4.942 72 H ILE 10 H ILE 10 4.054 2.350 3.600 73 HA ILE 10 HA ILE 10 1.222 2.713 3.729 74 HB ILE 10 HB ILE 10 2.834 0.528 2.358 75 HG12 ILE 10 1HG1 ILE 10 1.635 3.057 1.138 76 HG13 ILE 10 2HG1 ILE 10 3.320 2.918 1.624 77 HG21 ILE 10 1HG2 ILE 10 0.811 0.139 0.957 78 HG22 ILE 10 2HG2 ILE 10 -0.081 1.318 1.921 79 HG23 ILE 10 3HG2 ILE 10 0.483 -0.179 2.664 80 HD11 ILE 10 3HD1 ILE 10 3.633 1.120 -0.023 81 HD12 ILE 10 1HD1 ILE 10 3.084 2.628 -0.751 82 HD13 ILE 10 2HD1 ILE 10 1.947 1.303 -0.519 83 H ARG 11 H ARG 11 3.453 0.095 4.802 84 HA ARG 11 HA ARG 11 1.447 -1.598 5.866 85 HB2 ARG 11 1HB ARG 11 3.155 -2.883 6.949 86 HB3 ARG 11 2HB ARG 11 3.789 -2.373 5.395 87 HG2 ARG 11 1HG ARG 11 5.337 -0.917 6.313 88 HG3 ARG 11 2HG ARG 11 4.487 -0.796 7.847 89 HD2 ARG 11 1HD ARG 11 5.139 -3.083 8.433 90 HD3 ARG 11 2HD ARG 11 5.895 -3.303 6.848 91 HE ARG 11 HE ARG 11 7.695 -1.991 7.517 92 HH11 ARG 11 1HH1 ARG 11 5.295 -2.149 10.093 93 HH12 ARG 11 2HH1 ARG 11 6.376 -1.540 11.300 94 HH21 ARG 11 1HH2 ARG 11 9.095 -1.174 9.116 95 HH22 ARG 11 2HH2 ARG 11 8.532 -0.989 10.750 96 H ARG 12 H ARG 12 3.246 1.108 7.252 97 HA ARG 12 HA ARG 12 2.394 0.735 9.931 98 HB2 ARG 12 1HB ARG 12 3.927 2.760 8.472 99 HB3 ARG 12 2HB ARG 12 2.832 3.548 9.590 100 HG2 ARG 12 1HG ARG 12 4.952 3.298 10.641 101 HG3 ARG 12 2HG ARG 12 3.833 2.175 11.424 102 HD2 ARG 12 1HD ARG 12 4.793 0.296 10.271 103 HD3 ARG 12 2HD ARG 12 5.729 1.355 9.207 104 HE ARG 12 HE ARG 12 6.276 0.763 12.030 105 HH11 ARG 12 1HH1 ARG 12 7.274 2.500 9.133 106 HH12 ARG 12 2HH1 ARG 12 8.867 2.825 9.731 107 HH21 ARG 12 1HH2 ARG 12 8.360 1.198 12.795 108 HH22 ARG 12 2HH2 ARG 12 9.482 2.087 11.810 109 H TYR 13 H TYR 13 1.080 2.559 7.185 110 HA TYR 13 HA TYR 13 -1.021 3.839 8.601 111 HB2 TYR 13 1HB TYR 13 -0.193 4.514 6.327 112 HB3 TYR 13 2HB TYR 13 -0.956 3.071 5.652 113 HD1 TYR 13 HD1 TYR 13 -1.921 5.927 7.928 114 HD2 TYR 13 HD2 TYR 13 -3.063 3.441 4.652 115 HE1 TYR 13 HE1 TYR 13 -4.006 7.181 7.702 116 HE2 TYR 13 HE2 TYR 13 -5.148 4.689 4.429 117 HH TYR 13 HH TYR 13 -6.622 6.066 5.917 118 H ILE 14 H ILE 14 -0.736 0.685 7.040 119 HA ILE 14 HA ILE 14 -3.396 -0.217 7.338 120 HB ILE 14 HB ILE 14 -0.794 -1.809 7.358 121 HG12 ILE 14 1HG1 ILE 14 -2.698 -1.442 5.006 122 HG13 ILE 14 2HG1 ILE 14 -1.355 -0.346 5.295 123 HG21 ILE 14 1HG2 ILE 14 -2.603 -3.172 8.313 124 HG22 ILE 14 2HG2 ILE 14 -2.156 -3.783 6.722 125 HG23 ILE 14 3HG2 ILE 14 -3.629 -2.831 6.915 126 HD11 ILE 14 3HD1 ILE 14 -1.162 -3.295 4.727 127 HD12 ILE 14 1HD1 ILE 14 0.198 -2.228 5.105 128 HD13 ILE 14 2HD1 ILE 14 -0.755 -1.962 3.645 129 H MET 15 H MET 15 -0.581 -0.219 9.506 130 HA MET 15 HA MET 15 -1.745 -1.637 11.679 131 HB2 MET 15 1HB MET 15 0.608 0.309 11.623 132 HB3 MET 15 2HB MET 15 0.226 -0.758 12.971 133 HG2 MET 15 1HG MET 15 0.772 -2.700 11.704 134 HG3 MET 15 2HG MET 15 0.804 -1.798 10.197 135 HE1 MET 15 3HE MET 15 2.426 -0.934 13.706 136 HE2 MET 15 1HE MET 15 4.054 -1.569 13.451 137 HE3 MET 15 2HE MET 15 2.671 -2.670 13.492 138 H GLU 16 H GLU 16 -1.690 1.760 10.790 139 HA GLU 16 HA GLU 16 -2.571 2.774 13.362 140 HB2 GLU 16 1HB GLU 16 -2.278 4.208 10.684 141 HB3 GLU 16 2HB GLU 16 -2.559 4.994 12.234 142 HG2 GLU 16 1HG GLU 16 -0.092 3.335 11.643 143 HG3 GLU 16 2HG GLU 16 -0.187 5.067 11.333 144 H ASP 17 H ASP 17 -3.894 3.126 10.081 145 HA ASP 17 HA ASP 17 -6.453 4.002 11.106 146 HB2 ASP 17 1HB ASP 17 -5.429 5.259 9.297 147 HB3 ASP 17 2HB ASP 17 -5.297 3.813 8.303 148 H LEU 18 H LEU 18 -5.322 1.458 8.867 149 HA LEU 18 HA LEU 18 -7.900 0.470 8.230 150 HB2 LEU 18 1HB LEU 18 -5.129 -0.710 7.834 151 HB3 LEU 18 2HB LEU 18 -6.576 -1.564 7.331 152 HG LEU 18 HG LEU 18 -7.127 0.270 5.747 153 HD11 LEU 18 1HD1 LEU 18 -6.100 2.184 6.857 154 HD12 LEU 18 2HD1 LEU 18 -5.525 2.041 5.198 155 HD13 LEU 18 3HD1 LEU 18 -4.492 1.532 6.538 156 HD21 LEU 18 3HD2 LEU 18 -4.347 -0.863 5.368 157 HD22 LEU 18 1HD2 LEU 18 -5.372 -0.188 4.098 158 HD23 LEU 18 2HD2 LEU 18 -5.868 -1.649 4.944 159 H ILE 19 H ILE 19 -5.406 -0.735 10.498 160 HA ILE 19 HA ILE 19 -7.347 -2.633 11.678 161 HB ILE 19 HB ILE 19 -4.331 -2.528 12.086 162 HG12 ILE 19 1HG1 ILE 19 -5.917 -4.466 10.329 163 HG13 ILE 19 2HG1 ILE 19 -4.970 -3.112 9.724 164 HG21 ILE 19 1HG2 ILE 19 -5.514 -3.573 13.992 165 HG22 ILE 19 2HG2 ILE 19 -4.552 -4.763 13.115 166 HG23 ILE 19 3HG2 ILE 19 -6.303 -4.708 12.891 167 HD11 ILE 19 3HD1 ILE 19 -3.758 -5.171 9.457 168 HD12 ILE 19 1HD1 ILE 19 -3.894 -5.524 11.181 169 HD13 ILE 19 2HD1 ILE 19 -2.937 -4.146 10.631 170 H GLY 20 H GLY 20 -4.625 -1.307 13.501 171 HA2 GLY 20 1HA GLY 20 -5.010 0.717 14.935 172 HA3 GLY 20 2HA GLY 20 -6.557 -0.018 15.332 173 HA PRO 21 HA PRO 21 -4.691 -1.872 18.799 174 HB2 PRO 21 1HB PRO 21 -6.395 -3.970 19.345 175 HB3 PRO 21 2HB PRO 21 -6.869 -2.268 19.476 176 HG2 PRO 21 1HG PRO 21 -7.672 -4.260 17.464 177 HG3 PRO 21 2HG PRO 21 -8.445 -2.727 17.908 178 HD2 PRO 21 1HD PRO 21 -6.723 -3.253 15.630 179 HD3 PRO 21 2HD PRO 21 -7.542 -1.738 16.042 180 H SER 22 H SER 22 -5.457 -4.672 16.644 181 HA SER 22 HA SER 22 -3.204 -6.232 17.639 182 HB2 SER 22 1HB SER 22 -5.370 -7.354 17.229 183 HB3 SER 22 2HB SER 22 -5.345 -6.847 15.540 184 HG SER 22 HG SER 22 -3.733 -8.254 15.128 185 H ALA 23 H ALA 23 -1.870 -4.296 16.838 186 HA ALA 23 HA ALA 23 -0.627 -4.952 14.295 187 HB1 ALA 23 3HB ALA 23 -2.403 -3.451 13.545 188 HB2 ALA 23 1HB ALA 23 -0.830 -2.659 13.397 189 HB3 ALA 23 2HB ALA 23 -1.914 -2.236 14.731 190 H LYS 24 H LYS 24 0.573 -5.443 16.473 191 HA LYS 24 HA LYS 24 2.240 -3.443 17.600 192 HB2 LYS 24 1HB LYS 24 1.712 -5.704 18.586 193 HB3 LYS 24 2HB LYS 24 2.772 -6.418 17.375 194 HG2 LYS 24 1HG LYS 24 4.699 -5.258 18.313 195 HG3 LYS 24 2HG LYS 24 3.661 -4.388 19.451 196 HD2 LYS 24 1HD LYS 24 3.048 -6.507 20.534 197 HD3 LYS 24 2HD LYS 24 4.041 -7.401 19.380 198 HE2 LYS 24 1HE LYS 24 5.130 -5.305 21.283 199 HE3 LYS 24 2HE LYS 24 5.122 -7.038 21.625 200 HZ1 LYS 24 3HZ LYS 24 6.481 -7.390 19.682 201 HZ2 LYS 24 1HZ LYS 24 7.234 -6.319 20.748 202 HZ3 LYS 24 2HZ LYS 24 6.494 -5.737 19.345 203 H GLU 25 H GLU 25 4.729 -3.541 17.278 204 HA GLU 25 HA GLU 25 5.376 -2.248 14.992 205 HB2 GLU 25 1HB GLU 25 7.258 -3.986 16.638 206 HB3 GLU 25 2HB GLU 25 7.782 -2.747 15.504 207 HG2 GLU 25 1HG GLU 25 6.135 -2.246 18.012 208 HG3 GLU 25 2HG GLU 25 7.869 -1.968 17.850 209 H ASP 26 H ASP 26 5.666 -5.738 15.417 210 HA ASP 26 HA ASP 26 6.451 -6.048 12.570 211 HB2 ASP 26 1HB ASP 26 7.419 -7.664 14.980 212 HB3 ASP 26 2HB ASP 26 7.726 -8.130 13.309 213 H GLU 27 H GLU 27 3.780 -6.210 14.078 214 HA GLU 27 HA GLU 27 2.815 -8.851 13.434 215 HB2 GLU 27 1HB GLU 27 1.445 -6.236 14.167 216 HB3 GLU 27 2HB GLU 27 0.490 -7.588 13.552 217 HG2 GLU 27 1HG GLU 27 2.213 -7.592 16.043 218 HG3 GLU 27 2HG GLU 27 0.454 -7.502 15.992 219 H LEU 28 H LEU 28 3.056 -5.726 11.817 220 HA LEU 28 HA LEU 28 2.242 -6.984 9.272 221 HB2 LEU 28 1HB LEU 28 2.185 -4.098 10.218 222 HB3 LEU 28 2HB LEU 28 2.228 -4.467 8.509 223 HG LEU 28 HG LEU 28 -0.071 -4.032 9.185 224 HD11 LEU 28 1HD1 LEU 28 0.339 -6.983 8.609 225 HD12 LEU 28 2HD1 LEU 28 0.254 -5.680 7.418 226 HD13 LEU 28 3HD1 LEU 28 -1.159 -6.074 8.389 227 HD21 LEU 28 3HD2 LEU 28 -1.274 -5.429 10.808 228 HD22 LEU 28 1HD2 LEU 28 0.086 -4.602 11.569 229 HD23 LEU 28 2HD2 LEU 28 0.211 -6.316 11.160 230 H ASP 29 H ASP 29 3.972 -7.801 8.444 231 HA ASP 29 HA ASP 29 6.558 -6.424 8.338 232 HB2 ASP 29 1HB ASP 29 5.669 -9.128 7.199 233 HB3 ASP 29 2HB ASP 29 7.316 -8.503 7.149 234 H ASP 30 H ASP 30 7.615 -6.560 6.118 235 HA ASP 30 HA ASP 30 5.989 -5.103 4.241 236 HB2 ASP 30 1HB ASP 30 8.902 -5.946 4.010 237 HB3 ASP 30 2HB ASP 30 8.080 -4.727 3.036 238 H GLN 31 H GLN 31 6.642 -8.366 4.763 239 HA GLN 31 HA GLN 31 6.021 -9.140 1.954 240 HB2 GLN 31 1HB GLN 31 7.539 -10.709 4.101 241 HB3 GLN 31 2HB GLN 31 7.173 -11.303 2.482 242 HG2 GLN 31 1HG GLN 31 8.568 -9.531 1.506 243 HG3 GLN 31 2HG GLN 31 8.907 -8.896 3.114 244 HE21 GLN 31 1HE2 GLN 31 11.110 -9.125 2.808 245 HE22 GLN 31 2HE2 GLN 31 11.901 -10.663 2.828 246 H THR 32 H THR 32 4.599 -8.763 4.916 247 HA THR 32 HA THR 32 3.129 -11.067 5.406 248 HB THR 32 HB THR 32 2.457 -8.146 5.893 249 HG1 THR 32 HG1 THR 32 3.593 -10.240 7.394 250 HG21 THR 32 3HG2 THR 32 0.941 -10.544 6.978 251 HG22 THR 32 1HG2 THR 32 0.311 -9.376 5.821 252 HG23 THR 32 2HG2 THR 32 0.704 -8.865 7.466 253 HA PRO 33 HA PRO 33 0.479 -11.133 1.707 254 HB2 PRO 33 1HB PRO 33 -1.073 -13.289 2.400 255 HB3 PRO 33 2HB PRO 33 0.604 -13.467 1.833 256 HG2 PRO 33 1HG PRO 33 -0.447 -13.527 4.648 257 HG3 PRO 33 2HG PRO 33 0.771 -14.575 3.883 258 HD2 PRO 33 1HD PRO 33 1.448 -12.460 5.493 259 HD3 PRO 33 2HD PRO 33 2.480 -13.016 4.153 260 H LEU 34 H LEU 34 -0.418 -9.124 2.228 261 HA LEU 34 HA LEU 34 -2.068 -8.458 4.389 262 HB2 LEU 34 1HB LEU 34 -1.967 -7.116 1.661 263 HB3 LEU 34 2HB LEU 34 -2.476 -6.374 3.175 264 HG LEU 34 HG LEU 34 0.365 -7.276 2.533 265 HD11 LEU 34 1HD1 LEU 34 -0.293 -5.365 1.180 266 HD12 LEU 34 2HD1 LEU 34 0.928 -4.916 2.371 267 HD13 LEU 34 3HD1 LEU 34 -0.762 -4.469 2.632 268 HD21 LEU 34 3HD2 LEU 34 -0.075 -7.427 4.936 269 HD22 LEU 34 1HD2 LEU 34 -0.652 -5.757 4.961 270 HD23 LEU 34 2HD2 LEU 34 1.039 -6.109 4.590 271 H LEU 35 H LEU 35 -2.881 -9.309 1.050 272 HA LEU 35 HA LEU 35 -5.681 -8.822 1.228 273 HB2 LEU 35 1HB LEU 35 -4.108 -8.977 -0.857 274 HB3 LEU 35 2HB LEU 35 -4.418 -10.697 -0.783 275 HG LEU 35 HG LEU 35 -6.882 -10.209 -0.998 276 HD11 LEU 35 1HD1 LEU 35 -7.595 -7.959 -1.744 277 HD12 LEU 35 2HD1 LEU 35 -5.964 -7.348 -1.460 278 HD13 LEU 35 3HD1 LEU 35 -6.936 -7.937 -0.109 279 HD21 LEU 35 3HD2 LEU 35 -5.152 -9.148 -3.253 280 HD22 LEU 35 1HD2 LEU 35 -6.826 -9.705 -3.397 281 HD23 LEU 35 2HD2 LEU 35 -5.551 -10.845 -2.958 282 H GLU 36 H GLU 36 -3.648 -11.656 1.645 283 HA GLU 36 HA GLU 36 -5.672 -13.645 1.908 284 HB2 GLU 36 1HB GLU 36 -3.395 -14.254 1.306 285 HB3 GLU 36 2HB GLU 36 -2.752 -13.536 2.771 286 HG2 GLU 36 1HG GLU 36 -2.724 -15.972 2.901 287 HG3 GLU 36 2HG GLU 36 -3.808 -15.291 4.117 288 H TRP 37 H TRP 37 -3.999 -11.496 4.162 289 HA TRP 37 HA TRP 37 -5.258 -12.450 6.557 290 HB2 TRP 37 1HB TRP 37 -3.740 -9.907 5.860 291 HB3 TRP 37 2HB TRP 37 -4.523 -10.089 7.426 292 HD1 TRP 37 HD1 TRP 37 -2.552 -12.940 5.666 293 HE1 TRP 37 HE1 TRP 37 -0.571 -13.576 7.166 294 HE3 TRP 37 HE3 TRP 37 -3.043 -9.307 9.240 295 HZ2 TRP 37 HZ2 TRP 37 0.632 -12.676 9.550 296 HZ3 TRP 37 HZ3 TRP 37 -1.427 -9.262 11.104 297 HH2 TRP 37 HH2 TRP 37 0.375 -10.915 11.252 298 H GLY 38 H GLY 38 -6.340 -10.491 3.929 299 HA2 GLY 38 1HA GLY 38 -8.420 -9.662 3.440 300 HA3 GLY 38 2HA GLY 38 -9.017 -10.324 4.953 301 H ILE 39 H ILE 39 -6.330 -8.387 5.469 302 HA ILE 39 HA ILE 39 -7.788 -6.285 6.786 303 HB ILE 39 HB ILE 39 -5.561 -5.334 7.297 304 HG12 ILE 39 1HG1 ILE 39 -4.503 -7.489 5.399 305 HG13 ILE 39 2HG1 ILE 39 -4.373 -5.750 5.188 306 HG21 ILE 39 1HG2 ILE 39 -4.660 -7.212 8.630 307 HG22 ILE 39 2HG2 ILE 39 -5.641 -8.353 7.708 308 HG23 ILE 39 3HG2 ILE 39 -6.421 -7.146 8.731 309 HD11 ILE 39 3HD1 ILE 39 -2.985 -7.427 7.256 310 HD12 ILE 39 1HD1 ILE 39 -2.902 -5.666 7.161 311 HD13 ILE 39 2HD1 ILE 39 -2.273 -6.652 5.844 312 H LEU 40 H LEU 40 -6.709 -6.830 3.572 313 HA LEU 40 HA LEU 40 -7.252 -4.028 2.798 314 HB2 LEU 40 1HB LEU 40 -6.005 -6.239 1.111 315 HB3 LEU 40 2HB LEU 40 -6.266 -4.574 0.614 316 HG LEU 40 HG LEU 40 -4.227 -5.640 2.590 317 HD11 LEU 40 1HD1 LEU 40 -2.621 -4.535 1.122 318 HD12 LEU 40 2HD1 LEU 40 -3.927 -3.967 0.080 319 HD13 LEU 40 3HD1 LEU 40 -3.603 -5.697 0.235 320 HD21 LEU 40 3HD2 LEU 40 -3.562 -3.313 3.110 321 HD22 LEU 40 1HD2 LEU 40 -5.192 -3.670 3.677 322 HD23 LEU 40 2HD2 LEU 40 -4.960 -2.710 2.215 323 H ASN 41 H ASN 41 -9.332 -3.809 2.492 324 HA ASN 41 HA ASN 41 -10.860 -5.677 0.786 325 HB2 ASN 41 1HB ASN 41 -11.486 -6.097 3.158 326 HB3 ASN 41 2HB ASN 41 -11.800 -4.382 3.401 327 HD21 ASN 41 1HD2 ASN 41 -12.921 -7.311 1.829 328 HD22 ASN 41 2HD2 ASN 41 -14.552 -6.786 1.585 329 H SER 42 H SER 42 -12.794 -4.582 -0.138 330 HA SER 42 HA SER 42 -12.226 -2.594 -1.873 331 HB2 SER 42 2HB SER 42 -14.458 -4.128 -1.280 332 HB3 SER 42 1HB SER 42 -15.076 -2.519 -0.959 333 H MET 43 H MET 43 -13.672 -2.060 1.357 334 HA MET 43 HA MET 43 -14.074 0.742 1.025 335 HB2 MET 43 1HB MET 43 -15.497 -0.421 2.566 336 HB3 MET 43 2HB MET 43 -14.128 -1.029 3.486 337 HG2 MET 43 1HG MET 43 -15.418 0.846 4.582 338 HG3 MET 43 2HG MET 43 -13.686 1.124 4.428 339 HE1 MET 43 3HE MET 43 -16.319 1.475 1.445 340 HE2 MET 43 1HE MET 43 -16.787 3.165 1.648 341 HE3 MET 43 2HE MET 43 -17.231 1.977 2.868 342 H ASN 44 H ASN 44 -11.519 -1.116 2.730 343 HA ASN 44 HA ASN 44 -10.300 1.389 3.645 344 HB2 ASN 44 1HB ASN 44 -8.865 0.042 5.057 345 HB3 ASN 44 2HB ASN 44 -10.532 -0.494 5.236 346 HD21 ASN 44 1HD2 ASN 44 -7.454 -1.251 3.725 347 HD22 ASN 44 2HD2 ASN 44 -7.722 -2.943 3.629 348 H ILE 45 H ILE 45 -9.913 -0.638 0.937 349 HA ILE 45 HA ILE 45 -7.078 -0.416 0.566 350 HB ILE 45 HB ILE 45 -8.532 -2.176 -0.517 351 HG12 ILE 45 1HG1 ILE 45 -6.854 -0.574 -2.494 352 HG13 ILE 45 2HG1 ILE 45 -6.200 -1.699 -1.310 353 HG21 ILE 45 1HG2 ILE 45 -10.416 -0.777 -1.249 354 HG22 ILE 45 2HG2 ILE 45 -9.745 -1.668 -2.612 355 HG23 ILE 45 3HG2 ILE 45 -9.380 0.048 -2.414 356 HD11 ILE 45 3HD1 ILE 45 -6.286 -2.701 -3.498 357 HD12 ILE 45 1HD1 ILE 45 -8.018 -2.393 -3.613 358 HD13 ILE 45 2HD1 ILE 45 -7.400 -3.534 -2.414 359 H VAL 46 H VAL 46 -9.847 1.583 -0.284 360 HA VAL 46 HA VAL 46 -8.447 3.402 -2.000 361 HB VAL 46 HB VAL 46 -10.415 4.838 -1.894 362 HG11 VAL 46 1HG1 VAL 46 -11.225 1.914 -2.116 363 HG12 VAL 46 2HG1 VAL 46 -10.542 2.911 -3.401 364 HG13 VAL 46 3HG1 VAL 46 -12.138 3.286 -2.754 365 HG21 VAL 46 3HG2 VAL 46 -10.960 4.706 0.505 366 HG22 VAL 46 1HG2 VAL 46 -11.479 3.033 0.308 367 HG23 VAL 46 2HG2 VAL 46 -12.385 4.332 -0.464 368 H LYS 47 H LYS 47 -8.800 3.086 1.454 369 HA LYS 47 HA LYS 47 -7.948 5.658 2.295 370 HB2 LYS 47 1HB LYS 47 -7.403 3.010 3.717 371 HB3 LYS 47 2HB LYS 47 -7.394 4.611 4.448 372 HG2 LYS 47 1HG LYS 47 -9.825 3.173 3.326 373 HG3 LYS 47 2HG LYS 47 -9.428 3.358 5.037 374 HD2 LYS 47 1HD LYS 47 -10.059 5.623 3.107 375 HD3 LYS 47 2HD LYS 47 -11.176 4.952 4.294 376 HE2 LYS 47 1HE LYS 47 -9.747 5.730 6.127 377 HE3 LYS 47 2HE LYS 47 -8.540 6.306 4.976 378 HZ1 LYS 47 3HZ LYS 47 -9.882 8.111 5.764 379 HZ2 LYS 47 1HZ LYS 47 -11.300 7.339 5.268 380 HZ3 LYS 47 2HZ LYS 47 -10.183 7.868 4.120 381 H LEU 48 H LEU 48 -6.221 2.733 1.291 382 HA LEU 48 HA LEU 48 -3.595 3.747 1.717 383 HB2 LEU 48 1HB LEU 48 -4.615 1.510 -0.069 384 HB3 LEU 48 2HB LEU 48 -2.911 1.891 0.109 385 HG LEU 48 HG LEU 48 -4.784 0.862 2.278 386 HD11 LEU 48 1HD1 LEU 48 -2.357 -0.438 1.007 387 HD12 LEU 48 2HD1 LEU 48 -4.046 -0.885 0.739 388 HD13 LEU 48 3HD1 LEU 48 -3.320 -1.099 2.333 389 HD21 LEU 48 3HD2 LEU 48 -2.867 0.867 3.819 390 HD22 LEU 48 1HD2 LEU 48 -3.245 2.500 3.277 391 HD23 LEU 48 2HD2 LEU 48 -1.861 1.646 2.593 392 H MET 49 H MET 49 -5.726 3.640 -1.194 393 HA MET 49 HA MET 49 -3.994 4.695 -3.098 394 HB2 MET 49 1HB MET 49 -6.978 5.272 -2.867 395 HB3 MET 49 2HB MET 49 -6.010 5.507 -4.318 396 HG2 MET 49 1HG MET 49 -5.652 3.122 -4.523 397 HG3 MET 49 2HG MET 49 -6.459 2.836 -2.974 398 HE1 MET 49 3HE MET 49 -7.572 1.072 -5.097 399 HE2 MET 49 1HE MET 49 -9.302 1.404 -5.079 400 HE3 MET 49 2HE MET 49 -8.404 1.319 -3.562 401 H VAL 50 H VAL 50 -6.059 6.482 -0.819 402 HA VAL 50 HA VAL 50 -5.314 9.102 -1.748 403 HB VAL 50 HB VAL 50 -6.580 10.018 0.128 404 HG11 VAL 50 1HG1 VAL 50 -8.034 7.642 -1.098 405 HG12 VAL 50 2HG1 VAL 50 -7.883 9.251 -1.807 406 HG13 VAL 50 3HG1 VAL 50 -8.804 9.030 -0.321 407 HG21 VAL 50 3HG2 VAL 50 -6.807 7.180 1.207 408 HG22 VAL 50 1HG2 VAL 50 -7.634 8.593 1.868 409 HG23 VAL 50 2HG2 VAL 50 -5.873 8.488 1.931 410 H TYR 51 H TYR 51 -4.071 6.921 0.716 411 HA TYR 51 HA TYR 51 -2.506 8.774 2.208 412 HB2 TYR 51 1HB TYR 51 -3.130 6.590 3.136 413 HB3 TYR 51 2HB TYR 51 -2.246 5.754 1.861 414 HD1 TYR 51 HD1 TYR 51 -1.764 8.095 4.750 415 HD2 TYR 51 HD2 TYR 51 0.058 5.180 2.197 416 HE1 TYR 51 HE1 TYR 51 0.229 8.085 6.182 417 HE2 TYR 51 HE2 TYR 51 2.042 5.164 3.623 418 HH TYR 51 HH TYR 51 3.108 6.985 5.306 419 H ILE 52 H ILE 52 -1.625 6.414 -0.326 420 HA ILE 52 HA ILE 52 1.064 7.218 -0.705 421 HB ILE 52 HB ILE 52 -0.870 5.713 -2.529 422 HG12 ILE 52 1HG1 ILE 52 0.737 3.766 -2.103 423 HG13 ILE 52 2HG1 ILE 52 1.556 4.775 -0.923 424 HG21 ILE 52 1HG2 ILE 52 0.688 6.897 -4.008 425 HG22 ILE 52 2HG2 ILE 52 0.991 5.164 -4.050 426 HG23 ILE 52 3HG2 ILE 52 2.063 6.225 -3.132 427 HD11 ILE 52 3HD1 ILE 52 0.090 3.150 0.102 428 HD12 ILE 52 1HD1 ILE 52 -1.292 3.817 -0.768 429 HD13 ILE 52 2HD1 ILE 52 -0.458 4.791 0.446 430 H ARG 53 H ARG 53 -1.995 8.380 -2.075 431 HA ARG 53 HA ARG 53 -1.033 10.029 -4.143 432 HB2 ARG 53 1HB ARG 53 -3.393 9.363 -3.901 433 HB3 ARG 53 2HB ARG 53 -3.534 10.339 -2.443 434 HG2 ARG 53 1HG ARG 53 -3.116 12.385 -3.797 435 HG3 ARG 53 2HG ARG 53 -3.021 11.384 -5.250 436 HD2 ARG 53 1HD ARG 53 -5.346 10.664 -4.921 437 HD3 ARG 53 2HD ARG 53 -5.446 11.636 -3.444 438 HE ARG 53 HE ARG 53 -4.977 13.605 -4.943 439 HH11 ARG 53 1HH1 ARG 53 -6.620 10.761 -6.198 440 HH12 ARG 53 2HH1 ARG 53 -7.451 11.647 -7.436 441 HH21 ARG 53 1HH2 ARG 53 -6.096 14.751 -6.551 442 HH22 ARG 53 2HH2 ARG 53 -7.160 13.897 -7.633 443 H ASP 54 H ASP 54 -1.162 10.570 -0.685 444 HA ASP 54 HA ASP 54 -0.372 13.381 -0.909 445 HB2 ASP 54 1HB ASP 54 -1.911 12.851 0.895 446 HB3 ASP 54 2HB ASP 54 -0.870 11.555 1.476 447 H GLU 55 H GLU 55 0.954 10.422 0.549 448 HA GLU 55 HA GLU 55 3.420 11.522 1.381 449 HB2 GLU 55 1HB GLU 55 2.458 8.657 1.050 450 HB3 GLU 55 2HB GLU 55 4.015 9.055 1.771 451 HG2 GLU 55 1HG GLU 55 1.521 10.307 2.917 452 HG3 GLU 55 2HG GLU 55 1.861 8.614 3.261 453 H MET 56 H MET 56 2.812 9.101 -1.214 454 HA MET 56 HA MET 56 5.435 9.566 -2.399 455 HB2 MET 56 1HB MET 56 3.173 7.656 -3.026 456 HB3 MET 56 2HB MET 56 4.491 7.875 -4.162 457 HG2 MET 56 1HG MET 56 5.705 6.369 -3.046 458 HG3 MET 56 2HG MET 56 5.646 7.357 -1.594 459 HE1 MET 56 3HE MET 56 3.061 5.685 0.615 460 HE2 MET 56 1HE MET 56 3.219 7.291 -0.105 461 HE3 MET 56 2HE MET 56 4.636 6.481 0.567 462 H GLY 57 H GLY 57 2.242 10.802 -2.771 463 HA2 GLY 57 1HA GLY 57 1.395 12.441 -4.147 464 HA3 GLY 57 2HA GLY 57 2.935 12.528 -4.987 465 H VAL 58 H VAL 58 1.208 9.489 -4.604 466 HA VAL 58 HA VAL 58 0.757 9.366 -7.542 467 HB VAL 58 HB VAL 58 1.686 7.086 -5.742 468 HG11 VAL 58 1HG1 VAL 58 1.362 7.150 -8.767 469 HG12 VAL 58 2HG1 VAL 58 0.330 6.281 -7.630 470 HG13 VAL 58 3HG1 VAL 58 2.015 5.804 -7.830 471 HG21 VAL 58 3HG2 VAL 58 3.873 7.246 -6.870 472 HG22 VAL 58 1HG2 VAL 58 3.487 8.736 -6.002 473 HG23 VAL 58 2HG2 VAL 58 3.322 8.667 -7.760 474 H SER 59 H SER 59 -1.339 9.087 -8.000 475 HA SER 59 HA SER 59 -3.213 7.868 -6.107 476 HB2 SER 59 1HB SER 59 -4.923 8.556 -7.857 477 HB3 SER 59 2HB SER 59 -4.000 9.898 -7.188 478 HG SER 59 HG SER 59 -2.839 10.037 -9.065 479 H ILE 60 H ILE 60 -3.691 5.712 -6.227 480 HA ILE 60 HA ILE 60 -2.836 4.153 -8.562 481 HB ILE 60 HB ILE 60 -4.028 3.043 -5.975 482 HG12 ILE 60 1HG1 ILE 60 -1.553 2.271 -5.559 483 HG13 ILE 60 2HG1 ILE 60 -1.106 3.522 -6.711 484 HG21 ILE 60 1HG2 ILE 60 -2.551 1.637 -8.240 485 HG22 ILE 60 2HG2 ILE 60 -4.281 1.538 -7.907 486 HG23 ILE 60 3HG2 ILE 60 -3.127 0.870 -6.754 487 HD11 ILE 60 3HD1 ILE 60 -0.866 4.217 -4.389 488 HD12 ILE 60 1HD1 ILE 60 -2.593 3.971 -4.129 489 HD13 ILE 60 2HD1 ILE 60 -2.033 5.219 -5.250 490 HA PRO 61 HA PRO 61 -7.207 4.566 -9.861 491 HB2 PRO 61 1HB PRO 61 -6.919 3.506 -12.374 492 HB3 PRO 61 2HB PRO 61 -6.391 5.153 -11.973 493 HG2 PRO 61 1HG PRO 61 -4.736 2.649 -12.159 494 HG3 PRO 61 2HG PRO 61 -4.394 4.270 -12.806 495 HD2 PRO 61 1HD PRO 61 -3.298 3.383 -10.476 496 HD3 PRO 61 2HD PRO 61 -3.695 5.099 -10.740 497 H SER 62 H SER 62 -8.923 3.069 -10.413 498 HA SER 62 HA SER 62 -8.798 0.675 -8.878 499 HB2 SER 62 1HB SER 62 -11.187 0.379 -9.607 500 HB3 SER 62 2HB SER 62 -10.851 1.963 -8.908 501 HG SER 62 HG SER 62 -11.849 2.549 -10.685 502 H THR 63 H THR 63 -8.478 1.373 -12.275 503 HA THR 63 HA THR 63 -8.774 -1.257 -13.325 504 HB THR 63 HB THR 63 -8.977 0.740 -14.774 505 HG1 THR 63 HG1 THR 63 -6.694 -0.690 -15.678 506 HG21 THR 63 3HG2 THR 63 -7.269 2.196 -13.753 507 HG22 THR 63 1HG2 THR 63 -7.000 2.031 -15.487 508 HG23 THR 63 2HG2 THR 63 -5.992 1.130 -14.350 509 H HIS 64 H HIS 64 -6.190 0.372 -11.651 510 HA HIS 64 HA HIS 64 -4.135 -1.576 -12.433 511 HB2 HIS 64 1HB HIS 64 -4.051 1.193 -11.559 512 HB3 HIS 64 2HB HIS 64 -3.156 0.241 -10.387 513 HD1 HIS 64 HD1 HIS 64 -3.013 1.502 -13.871 514 HD2 HIS 64 HD2 HIS 64 -0.845 -1.067 -11.440 515 HE1 HIS 64 HE1 HIS 64 -0.849 1.111 -15.068 516 HE2 HIS 64 HE2 HIS 64 0.523 -0.244 -13.468 517 H ILE 65 H ILE 65 -6.565 -1.351 -10.144 518 HA ILE 65 HA ILE 65 -5.174 -2.641 -7.958 519 HB ILE 65 HB ILE 65 -8.201 -2.384 -8.296 520 HG12 ILE 65 1HG1 ILE 65 -7.157 -0.134 -8.260 521 HG13 ILE 65 2HG1 ILE 65 -8.085 -0.424 -6.796 522 HG21 ILE 65 1HG2 ILE 65 -7.538 -4.146 -6.706 523 HG22 ILE 65 2HG2 ILE 65 -8.235 -2.787 -5.825 524 HG23 ILE 65 3HG2 ILE 65 -6.485 -3.017 -5.847 525 HD11 ILE 65 3HD1 ILE 65 -6.019 -0.860 -5.577 526 HD12 ILE 65 1HD1 ILE 65 -6.022 0.730 -6.339 527 HD13 ILE 65 2HD1 ILE 65 -5.092 -0.584 -7.056 528 H THR 66 H THR 66 -4.757 -4.692 -7.962 529 HA THR 66 HA THR 66 -6.682 -6.685 -8.793 530 HB THR 66 HB THR 66 -5.550 -6.538 -10.905 531 HG1 THR 66 HG1 THR 66 -5.623 -8.650 -10.704 532 HG21 THR 66 3HG2 THR 66 -3.582 -5.227 -10.266 533 HG22 THR 66 1HG2 THR 66 -3.089 -6.670 -11.171 534 HG23 THR 66 2HG2 THR 66 -2.903 -6.625 -9.418 535 H GLY 67 H GLY 67 -6.103 -8.785 -7.951 536 HA2 GLY 67 1HA GLY 67 -5.161 -8.664 -5.273 537 HA3 GLY 67 2HA GLY 67 -5.638 -10.111 -6.155 538 H LYS 68 H LYS 68 -3.453 -8.996 -8.176 539 HA LYS 68 HA LYS 68 -1.215 -10.524 -7.279 540 HB2 LYS 68 1HB LYS 68 -1.421 -8.462 -9.520 541 HB3 LYS 68 2HB LYS 68 -0.082 -9.584 -9.290 542 HG2 LYS 68 1HG LYS 68 -1.553 -11.490 -9.721 543 HG3 LYS 68 2HG LYS 68 -2.949 -10.417 -9.855 544 HD2 LYS 68 1HD LYS 68 -2.138 -11.115 -12.071 545 HD3 LYS 68 2HD LYS 68 -1.970 -9.371 -11.859 546 HE2 LYS 68 1HE LYS 68 0.443 -9.670 -11.380 547 HE3 LYS 68 2HE LYS 68 0.266 -11.416 -11.578 548 HZ1 LYS 68 3HZ LYS 68 -0.235 -9.383 -13.665 549 HZ2 LYS 68 1HZ LYS 68 -0.380 -11.056 -13.864 550 HZ3 LYS 68 2HZ LYS 68 1.131 -10.369 -13.558 551 H TYR 69 H TYR 69 -1.959 -7.046 -7.461 552 HA TYR 69 HA TYR 69 0.648 -6.240 -6.474 553 HB2 TYR 69 1HB TYR 69 -1.833 -4.621 -7.164 554 HB3 TYR 69 2HB TYR 69 -0.309 -3.904 -6.639 555 HD1 TYR 69 HD1 TYR 69 1.498 -5.917 -8.243 556 HD2 TYR 69 HD2 TYR 69 -1.876 -3.527 -9.344 557 HE1 TYR 69 HE1 TYR 69 2.284 -5.875 -10.564 558 HE2 TYR 69 HE2 TYR 69 -1.090 -3.493 -11.667 559 HH TYR 69 HH TYR 69 1.049 -3.760 -12.890 560 H PHE 70 H PHE 70 -2.715 -6.146 -5.217 561 HA PHE 70 HA PHE 70 -1.698 -5.190 -2.635 562 HB2 PHE 70 1HB PHE 70 -4.493 -5.484 -3.782 563 HB3 PHE 70 2HB PHE 70 -4.221 -5.135 -2.071 564 HD1 PHE 70 HD1 PHE 70 -3.496 -3.851 -5.521 565 HD2 PHE 70 HD2 PHE 70 -3.687 -2.900 -1.347 566 HE1 PHE 70 HE1 PHE 70 -3.106 -1.479 -6.032 567 HE2 PHE 70 HE2 PHE 70 -3.314 -0.529 -1.876 568 HZ PHE 70 HZ PHE 70 -3.013 0.184 -4.214 569 H LYS 71 H LYS 71 -1.237 -7.922 -3.743 570 HA LYS 71 HA LYS 71 -2.352 -9.883 -2.030 571 HB2 LYS 71 1HB LYS 71 -1.303 -10.449 -4.166 572 HB3 LYS 71 2HB LYS 71 0.223 -9.744 -3.655 573 HG2 LYS 71 1HG LYS 71 0.508 -11.528 -1.984 574 HG3 LYS 71 2HG LYS 71 -1.053 -12.221 -2.443 575 HD2 LYS 71 1HD LYS 71 0.876 -13.419 -3.483 576 HD3 LYS 71 2HD LYS 71 -0.224 -12.737 -4.682 577 HE2 LYS 71 1HE LYS 71 2.097 -12.357 -5.370 578 HE3 LYS 71 2HE LYS 71 1.341 -10.812 -4.981 579 HZ1 LYS 71 3HZ LYS 71 3.555 -10.965 -4.069 580 HZ2 LYS 71 1HZ LYS 71 3.147 -12.352 -3.194 581 HZ3 LYS 71 2HZ LYS 71 2.423 -10.868 -2.826 582 H ASP 72 H ASP 72 0.708 -8.081 -2.071 583 HA ASP 72 HA ASP 72 0.868 -8.028 0.818 584 HB2 ASP 72 1HB ASP 72 2.908 -9.142 1.138 585 HB3 ASP 72 2HB ASP 72 2.141 -10.173 -0.049 586 H LEU 73 H LEU 73 3.127 -6.810 1.275 587 HA LEU 73 HA LEU 73 2.512 -4.198 0.286 588 HB2 LEU 73 1HB LEU 73 3.107 -4.610 2.616 589 HB3 LEU 73 2HB LEU 73 4.691 -5.197 2.135 590 HG LEU 73 HG LEU 73 5.261 -2.926 1.271 591 HD11 LEU 73 1HD1 LEU 73 3.031 -2.115 0.734 592 HD12 LEU 73 2HD1 LEU 73 3.853 -1.000 1.820 593 HD13 LEU 73 3HD1 LEU 73 2.601 -2.075 2.449 594 HD21 LEU 73 3HD2 LEU 73 5.459 -1.845 3.498 595 HD22 LEU 73 1HD2 LEU 73 6.016 -3.506 3.449 596 HD23 LEU 73 2HD2 LEU 73 4.458 -3.121 4.173 597 H ASN 74 H ASN 74 5.270 -6.451 -0.281 598 HA ASN 74 HA ASN 74 6.908 -4.680 -1.772 599 HB2 ASN 74 1HB ASN 74 6.600 -7.707 -2.041 600 HB3 ASN 74 2HB ASN 74 7.817 -6.773 -2.900 601 HD21 ASN 74 1HD2 ASN 74 6.905 -8.166 0.114 602 HD22 ASN 74 2HD2 ASN 74 8.342 -7.760 0.979 603 H ALA 75 H ALA 75 4.213 -6.751 -2.690 604 HA ALA 75 HA ALA 75 4.316 -6.273 -5.504 605 HB1 ALA 75 3HB ALA 75 3.336 -8.303 -4.526 606 HB2 ALA 75 1HB ALA 75 2.162 -7.450 -5.530 607 HB3 ALA 75 2HB ALA 75 2.064 -7.337 -3.770 608 H ILE 76 H ILE 76 2.661 -4.682 -2.792 609 HA ILE 76 HA ILE 76 1.064 -2.882 -4.339 610 HB ILE 76 HB ILE 76 2.131 -2.673 -1.491 611 HG12 ILE 76 1HG1 ILE 76 -0.647 -3.309 -2.560 612 HG13 ILE 76 2HG1 ILE 76 0.466 -4.450 -1.814 613 HG21 ILE 76 1HG2 ILE 76 0.600 -0.791 -1.073 614 HG22 ILE 76 2HG2 ILE 76 0.136 -0.768 -2.776 615 HG23 ILE 76 3HG2 ILE 76 1.792 -0.371 -2.307 616 HD11 ILE 76 3HD1 ILE 76 -1.238 -3.874 -0.263 617 HD12 ILE 76 1HD1 ILE 76 -0.943 -2.148 -0.479 618 HD13 ILE 76 2HD1 ILE 76 0.275 -3.166 0.296 619 H SER 77 H SER 77 4.325 -2.689 -2.977 620 HA SER 77 HA SER 77 4.655 0.103 -3.486 621 HB2 SER 77 1HB SER 77 6.664 -2.039 -2.688 622 HB3 SER 77 2HB SER 77 6.990 -0.304 -2.698 623 HG SER 77 HG SER 77 4.834 -1.416 -1.237 624 H ARG 78 H ARG 78 5.467 -2.883 -5.228 625 HA ARG 78 HA ARG 78 7.296 -1.760 -7.073 626 HB2 ARG 78 1HB ARG 78 6.964 -3.748 -8.461 627 HB3 ARG 78 2HB ARG 78 7.115 -4.211 -6.771 628 HG2 ARG 78 1HG ARG 78 4.711 -4.538 -6.607 629 HG3 ARG 78 2HG ARG 78 4.487 -3.978 -8.260 630 HD2 ARG 78 1HD ARG 78 6.125 -6.426 -7.538 631 HD3 ARG 78 2HD ARG 78 4.399 -6.488 -7.911 632 HE ARG 78 HE ARG 78 5.690 -5.159 -10.013 633 HH11 ARG 78 1HH1 ARG 78 5.575 -8.400 -8.673 634 HH12 ARG 78 2HH1 ARG 78 5.927 -9.164 -10.186 635 HH21 ARG 78 1HH2 ARG 78 6.122 -6.184 -11.979 636 HH22 ARG 78 2HH2 ARG 78 6.236 -7.911 -12.045 637 H THR 79 H THR 79 3.741 -2.027 -7.077 638 HA THR 79 HA THR 79 3.499 -1.013 -9.764 639 HB THR 79 HB THR 79 1.742 -2.553 -8.665 640 HG1 THR 79 HG1 THR 79 1.566 -1.026 -10.615 641 HG21 THR 79 3HG2 THR 79 -0.130 -1.467 -7.498 642 HG22 THR 79 1HG2 THR 79 0.710 0.085 -7.529 643 HG23 THR 79 2HG2 THR 79 1.354 -1.258 -6.571 644 H VAL 80 H VAL 80 3.367 0.345 -6.473 645 HA VAL 80 HA VAL 80 2.379 2.938 -7.098 646 HB VAL 80 HB VAL 80 4.116 1.937 -4.802 647 HG11 VAL 80 1HG1 VAL 80 3.685 4.090 -3.611 648 HG12 VAL 80 2HG1 VAL 80 2.956 4.740 -5.081 649 HG13 VAL 80 3HG1 VAL 80 4.667 4.316 -5.061 650 HG21 VAL 80 3HG2 VAL 80 2.045 2.185 -3.448 651 HG22 VAL 80 1HG2 VAL 80 1.800 1.090 -4.811 652 HG23 VAL 80 2HG2 VAL 80 1.177 2.739 -4.881 653 H GLU 81 H GLU 81 5.708 1.699 -6.841 654 HA GLU 81 HA GLU 81 7.059 4.096 -7.514 655 HB2 GLU 81 1HB GLU 81 7.917 1.177 -7.718 656 HB3 GLU 81 2HB GLU 81 9.005 2.548 -7.940 657 HG2 GLU 81 1HG GLU 81 8.662 3.266 -5.658 658 HG3 GLU 81 2HG GLU 81 7.433 2.038 -5.394 659 H GLN 82 H GLN 82 5.762 1.443 -9.435 660 HA GLN 82 HA GLN 82 6.829 2.182 -11.974 661 HB2 GLN 82 1HB GLN 82 5.911 -0.076 -11.549 662 HB3 GLN 82 2HB GLN 82 4.311 0.602 -11.289 663 HG2 GLN 82 1HG GLN 82 4.406 -0.410 -13.489 664 HG3 GLN 82 2HG GLN 82 4.250 1.338 -13.665 665 HE21 GLN 82 1HE2 GLN 82 5.082 1.263 -15.780 666 HE22 GLN 82 2HE2 GLN 82 6.750 0.969 -16.118 667 H LEU 83 H LEU 83 3.766 2.818 -10.357 668 HA LEU 83 HA LEU 83 2.454 4.332 -12.345 669 HB2 LEU 83 1HB LEU 83 2.087 4.061 -9.340 670 HB3 LEU 83 2HB LEU 83 1.057 5.114 -10.283 671 HG LEU 83 HG LEU 83 1.302 2.121 -10.713 672 HD11 LEU 83 1HD1 LEU 83 0.240 2.582 -8.567 673 HD12 LEU 83 2HD1 LEU 83 -0.919 1.926 -9.717 674 HD13 LEU 83 3HD1 LEU 83 -0.928 3.653 -9.348 675 HD21 LEU 83 3HD2 LEU 83 -0.669 2.391 -12.164 676 HD22 LEU 83 1HD2 LEU 83 0.734 3.267 -12.772 677 HD23 LEU 83 2HD2 LEU 83 -0.577 4.144 -11.973 678 H LYS 84 H LYS 84 4.718 5.154 -9.816 679 HA LYS 84 HA LYS 84 4.382 7.979 -9.816 680 HB2 LYS 84 1HB LYS 84 5.452 6.657 -7.985 681 HB3 LYS 84 2HB LYS 84 6.805 6.296 -9.047 682 HG2 LYS 84 1HG LYS 84 7.476 8.628 -9.088 683 HG3 LYS 84 2HG LYS 84 6.021 9.107 -8.213 684 HD2 LYS 84 1HD LYS 84 8.060 9.050 -6.781 685 HD3 LYS 84 2HD LYS 84 6.778 7.984 -6.202 686 HE2 LYS 84 1HE LYS 84 7.967 6.040 -7.185 687 HE3 LYS 84 2HE LYS 84 9.238 7.116 -7.775 688 HZ1 LYS 84 3HZ LYS 84 9.802 5.991 -5.694 689 HZ2 LYS 84 1HZ LYS 84 8.514 6.760 -4.926 690 HZ3 LYS 84 2HZ LYS 84 9.803 7.671 -5.527 691 H ALA 85 H ALA 85 6.409 5.735 -11.633 692 HA ALA 85 HA ALA 85 7.901 7.704 -13.101 693 HB1 ALA 85 3HB ALA 85 8.796 5.435 -12.746 694 HB2 ALA 85 1HB ALA 85 8.658 5.784 -14.471 695 HB3 ALA 85 2HB ALA 85 7.466 4.748 -13.681 696 H GLU 86 H GLU 86 5.008 5.741 -13.696 697 HA GLU 86 HA GLU 86 4.668 6.364 -16.443 698 HB2 GLU 86 1HB GLU 86 2.720 5.240 -14.391 699 HB3 GLU 86 2HB GLU 86 2.360 5.374 -16.109 700 HG2 GLU 86 1HG GLU 86 4.308 3.893 -16.596 701 HG3 GLU 86 2HG GLU 86 4.554 3.699 -14.863 702 H SER 87 H SER 87 3.220 7.739 -13.484 703 HA SER 87 HA SER 87 1.421 9.532 -14.785 704 HB2 SER 87 1HB SER 87 1.204 10.612 -12.535 705 HB3 SER 87 2HB SER 87 1.043 8.858 -12.437 706 HG SER 87 HG SER 87 2.771 8.777 -11.244 707 H ALA 88 H ALA 88 4.791 9.702 -13.830 708 HA ALA 88 HA ALA 88 5.170 12.513 -14.331 709 HB1 ALA 88 3HB ALA 88 6.646 11.275 -12.784 710 HB2 ALA 88 1HB ALA 88 7.575 12.007 -14.095 711 HB3 ALA 88 2HB ALA 88 7.224 10.275 -14.119 712 H LEU 89 H LEU 89 5.059 9.643 -16.296 713 HA LEU 89 HA LEU 89 6.138 10.982 -18.684 714 HB2 LEU 89 1HB LEU 89 5.046 8.157 -18.306 715 HB3 LEU 89 2HB LEU 89 5.741 8.776 -19.795 716 HG LEU 89 HG LEU 89 7.251 8.412 -17.187 717 HD11 LEU 89 1HD1 LEU 89 8.398 6.549 -18.280 718 HD12 LEU 89 2HD1 LEU 89 7.390 6.745 -19.715 719 HD13 LEU 89 3HD1 LEU 89 6.662 6.260 -18.181 720 HD21 LEU 89 3HD2 LEU 89 8.310 9.265 -19.912 721 HD22 LEU 89 1HD2 LEU 89 9.293 8.906 -18.488 722 HD23 LEU 89 2HD2 LEU 89 8.192 10.279 -18.470 723 H GLU 90 H GLU 90 3.268 11.172 -17.112 724 HA GLU 90 HA GLU 90 1.708 11.556 -19.615 725 HB2 GLU 90 1HB GLU 90 0.669 10.691 -16.867 726 HB3 GLU 90 2HB GLU 90 -0.342 11.072 -18.260 727 HG2 GLU 90 1HG GLU 90 0.657 9.198 -19.504 728 HG3 GLU 90 2HG GLU 90 1.673 8.819 -18.118 729 H282 PNS 101 2H28 PNS 142 -13.323 -1.647 -6.060 730 H281 PNS 101 3H28 PNS 142 -11.680 -1.109 -5.722 731 H303 PNS 101 2H51 PNS 142 -12.685 -5.256 -5.397 732 H302 PNS 101 3H51 PNS 142 -13.905 -4.085 -5.882 733 H301 PNS 101 1H51 PNS 142 -13.304 -4.103 -4.212 734 H313 PNS 101 2H52 PNS 142 -10.989 -3.344 -3.707 735 H312 PNS 101 3H52 PNS 142 -10.333 -4.481 -4.887 736 H311 PNS 101 1H52 PNS 142 -9.922 -2.767 -5.010 737 H32 PNS 101 H32 PNS 142 -12.486 -3.260 -7.729 738 H33 PNS 101 H33 PNS 142 -9.823 -2.553 -7.103 739 H36 PNS 101 H36 PNS 142 -12.826 -5.564 -7.671 740 H372 PNS 101 2H37 PNS 142 -10.976 -7.173 -8.986 741 H371 PNS 101 3H37 PNS 142 -12.459 -7.721 -8.214 742 H382 PNS 101 2H38 PNS 142 -9.754 -7.378 -6.870 743 H381 PNS 101 3H38 PNS 142 -10.501 -8.913 -7.305 744 H41 PNS 101 H41 PNS 142 -10.019 -6.747 -4.826 745 H422 PNS 101 2H42 PNS 142 -11.731 -6.196 -3.089 746 H421 PNS 101 3H42 PNS 142 -12.157 -7.907 -3.135 747 H431 PNS 101 2H43 PNS 142 -9.861 -8.477 -2.391 748 H432 PNS 101 3H43 PNS 142 -9.495 -6.746 -2.268 749 H44 PNS 101 H44 PNS 142 -10.031 -7.742 0.303 Start of MODEL 9 1 H1 MET 1 1H MET 1 13.463 7.542 -5.108 2 H2 MET 1 2H MET 1 13.325 7.321 -6.773 3 H3 MET 1 3H MET 1 14.588 6.591 -5.927 4 HA MET 1 HA MET 1 11.723 6.029 -5.495 5 HB2 MET 1 1HB MET 1 12.066 3.885 -6.690 6 HB3 MET 1 2HB MET 1 12.361 5.261 -7.738 7 HG2 MET 1 1HG MET 1 14.841 4.931 -7.243 8 HG3 MET 1 2HG MET 1 14.387 3.385 -6.532 9 HE1 MET 1 3HE MET 1 12.890 5.245 -9.712 10 HE2 MET 1 1HE MET 1 13.839 4.494 -10.993 11 HE3 MET 1 2HE MET 1 14.627 5.535 -9.805 12 H ASP 2 H ASP 2 11.306 4.929 -3.651 13 HA ASP 2 HA ASP 2 13.483 3.601 -2.161 14 HB2 ASP 2 1HB ASP 2 11.702 5.772 -0.938 15 HB3 ASP 2 2HB ASP 2 12.837 4.767 -0.042 16 H GLY 3 H GLY 3 12.160 1.856 -3.111 17 HA2 GLY 3 1HA GLY 3 9.532 1.227 -2.576 18 HA3 GLY 3 2HA GLY 3 10.811 0.045 -2.794 19 H GLU 4 H GLU 4 12.325 0.799 -0.458 20 HA GLU 4 HA GLU 4 11.147 -0.800 1.567 21 HB2 GLU 4 1HB GLU 4 13.428 1.158 1.968 22 HB3 GLU 4 2HB GLU 4 13.102 -0.311 2.882 23 HG2 GLU 4 1HG GLU 4 14.087 -0.100 0.023 24 HG3 GLU 4 2HG GLU 4 15.005 -0.659 1.418 25 H GLU 5 H GLU 5 11.638 2.708 1.290 26 HA GLU 5 HA GLU 5 10.435 3.348 3.784 27 HB2 GLU 5 1HB GLU 5 11.850 4.937 2.362 28 HB3 GLU 5 2HB GLU 5 10.428 5.167 1.354 29 HG2 GLU 5 1HG GLU 5 9.186 5.931 3.431 30 HG3 GLU 5 2HG GLU 5 10.729 5.879 4.284 31 H VAL 6 H VAL 6 9.172 3.268 0.461 32 HA VAL 6 HA VAL 6 6.547 4.045 0.792 33 HB VAL 6 HB VAL 6 7.691 1.937 -1.094 34 HG11 VAL 6 1HG1 VAL 6 4.964 3.282 -1.289 35 HG12 VAL 6 2HG1 VAL 6 5.274 1.568 -0.998 36 HG13 VAL 6 3HG1 VAL 6 5.704 2.290 -2.549 37 HG21 VAL 6 3HG2 VAL 6 8.695 4.162 -1.360 38 HG22 VAL 6 1HG2 VAL 6 7.100 4.885 -1.573 39 HG23 VAL 6 2HG2 VAL 6 7.726 3.748 -2.769 40 H LYS 7 H LYS 7 7.945 0.818 1.271 41 HA LYS 7 HA LYS 7 5.555 -0.549 1.906 42 HB2 LYS 7 1HB LYS 7 8.484 -1.151 2.459 43 HB3 LYS 7 2HB LYS 7 7.199 -2.248 2.978 44 HG2 LYS 7 1HG LYS 7 6.460 -2.500 0.634 45 HG3 LYS 7 2HG LYS 7 7.729 -1.399 0.106 46 HD2 LYS 7 1HD LYS 7 8.166 -4.102 1.438 47 HD3 LYS 7 2HD LYS 7 8.322 -3.766 -0.286 48 HE2 LYS 7 1HE LYS 7 10.148 -2.175 0.200 49 HE3 LYS 7 2HE LYS 7 10.007 -2.553 1.917 50 HZ1 LYS 7 3HZ LYS 7 10.722 -4.504 -0.202 51 HZ2 LYS 7 1HZ LYS 7 10.653 -4.807 1.463 52 HZ3 LYS 7 2HZ LYS 7 11.811 -3.747 0.845 53 H GLU 8 H GLU 8 8.008 0.988 4.062 54 HA GLU 8 HA GLU 8 6.612 0.203 6.475 55 HB2 GLU 8 1HB GLU 8 8.217 1.502 7.711 56 HB3 GLU 8 2HB GLU 8 9.070 0.622 6.448 57 HG2 GLU 8 1HG GLU 8 9.208 2.640 5.098 58 HG3 GLU 8 2HG GLU 8 8.288 3.542 6.305 59 H LYS 9 H LYS 9 6.354 2.945 4.333 60 HA LYS 9 HA LYS 9 4.915 4.771 5.988 61 HB2 LYS 9 1HB LYS 9 4.889 4.329 2.977 62 HB3 LYS 9 2HB LYS 9 4.036 5.652 3.751 63 HG2 LYS 9 1HG LYS 9 7.038 5.301 3.935 64 HG3 LYS 9 2HG LYS 9 6.246 6.185 2.630 65 HD2 LYS 9 1HD LYS 9 5.150 7.599 4.508 66 HD3 LYS 9 2HD LYS 9 6.363 6.880 5.574 67 HE2 LYS 9 1HE LYS 9 8.162 7.826 4.243 68 HE3 LYS 9 2HE LYS 9 7.015 8.391 3.028 69 HZ1 LYS 9 3HZ LYS 9 6.039 9.812 4.789 70 HZ2 LYS 9 1HZ LYS 9 7.626 10.213 4.356 71 HZ3 LYS 9 2HZ LYS 9 7.328 9.379 5.794 72 H ILE 10 H ILE 10 3.851 2.562 3.422 73 HA ILE 10 HA ILE 10 1.078 2.951 3.755 74 HB ILE 10 HB ILE 10 2.580 0.671 2.391 75 HG12 ILE 10 1HG1 ILE 10 1.317 3.176 1.190 76 HG13 ILE 10 2HG1 ILE 10 3.034 3.000 1.529 77 HG21 ILE 10 1HG2 ILE 10 -0.352 1.436 2.078 78 HG22 ILE 10 2HG2 ILE 10 0.254 -0.027 2.858 79 HG23 ILE 10 3HG2 ILE 10 0.495 0.215 1.126 80 HD11 ILE 10 3HD1 ILE 10 1.429 1.408 -0.467 81 HD12 ILE 10 1HD1 ILE 10 3.139 1.156 -0.101 82 HD13 ILE 10 2HD1 ILE 10 2.602 2.683 -0.797 83 H ARG 11 H ARG 11 3.293 0.389 4.934 84 HA ARG 11 HA ARG 11 1.345 -1.274 6.113 85 HB2 ARG 11 1HB ARG 11 3.073 -2.528 7.081 86 HB3 ARG 11 2HB ARG 11 3.811 -1.838 5.658 87 HG2 ARG 11 1HG ARG 11 5.543 -1.434 7.039 88 HG3 ARG 11 2HG ARG 11 4.615 -0.003 7.465 89 HD2 ARG 11 1HD ARG 11 4.537 -0.678 9.624 90 HD3 ARG 11 2HD ARG 11 3.743 -2.175 9.160 91 HE ARG 11 HE ARG 11 5.710 -3.285 9.479 92 HH11 ARG 11 1HH1 ARG 11 6.506 0.124 9.211 93 HH12 ARG 11 2HH1 ARG 11 8.169 -0.110 9.618 94 HH21 ARG 11 1HH2 ARG 11 7.867 -3.593 10.029 95 HH22 ARG 11 2HH2 ARG 11 8.964 -2.242 10.090 96 H ARG 12 H ARG 12 3.061 1.568 7.289 97 HA ARG 12 HA ARG 12 2.309 1.331 9.998 98 HB2 ARG 12 1HB ARG 12 3.867 3.196 8.437 99 HB3 ARG 12 2HB ARG 12 2.660 4.148 9.278 100 HG2 ARG 12 1HG ARG 12 4.606 4.126 10.635 101 HG3 ARG 12 2HG ARG 12 3.428 3.080 11.423 102 HD2 ARG 12 1HD ARG 12 5.282 1.723 11.602 103 HD3 ARG 12 2HD ARG 12 4.734 1.202 10.007 104 HE ARG 12 HE ARG 12 6.382 2.768 9.049 105 HH11 ARG 12 1HH1 ARG 12 6.878 1.778 12.388 106 HH12 ARG 12 2HH1 ARG 12 8.581 2.095 12.362 107 HH21 ARG 12 1HH2 ARG 12 8.664 3.176 9.039 108 HH22 ARG 12 2HH2 ARG 12 9.576 2.874 10.482 109 H TYR 13 H TYR 13 0.841 2.915 7.202 110 HA TYR 13 HA TYR 13 -1.297 4.177 8.628 111 HB2 TYR 13 1HB TYR 13 -0.450 4.856 6.346 112 HB3 TYR 13 2HB TYR 13 -1.204 3.402 5.684 113 HD1 TYR 13 HD1 TYR 13 -2.124 6.366 7.833 114 HD2 TYR 13 HD2 TYR 13 -3.358 3.671 4.764 115 HE1 TYR 13 HE1 TYR 13 -4.204 7.625 7.567 116 HE2 TYR 13 HE2 TYR 13 -5.434 4.924 4.496 117 HH TYR 13 HH TYR 13 -6.867 6.409 5.890 118 H ILE 14 H ILE 14 -0.874 0.991 7.144 119 HA ILE 14 HA ILE 14 -3.550 0.077 7.361 120 HB ILE 14 HB ILE 14 -0.955 -1.532 7.487 121 HG12 ILE 14 1HG1 ILE 14 -2.752 -1.202 5.053 122 HG13 ILE 14 2HG1 ILE 14 -1.443 -0.078 5.387 123 HG21 ILE 14 1HG2 ILE 14 -2.800 -2.883 8.375 124 HG22 ILE 14 2HG2 ILE 14 -2.316 -3.495 6.793 125 HG23 ILE 14 3HG2 ILE 14 -3.783 -2.525 6.949 126 HD11 ILE 14 3HD1 ILE 14 -1.169 -3.031 4.869 127 HD12 ILE 14 1HD1 ILE 14 0.153 -1.934 5.298 128 HD13 ILE 14 2HD1 ILE 14 -0.734 -1.703 3.790 129 H MET 15 H MET 15 -0.819 0.190 9.608 130 HA MET 15 HA MET 15 -2.005 -1.209 11.781 131 HB2 MET 15 1HB MET 15 0.245 0.844 11.807 132 HB3 MET 15 2HB MET 15 -0.107 -0.307 13.092 133 HG2 MET 15 1HG MET 15 0.601 -2.149 11.770 134 HG3 MET 15 2HG MET 15 0.579 -1.194 10.296 135 HE1 MET 15 3HE MET 15 1.966 -0.848 13.851 136 HE2 MET 15 1HE MET 15 3.714 -0.714 13.607 137 HE3 MET 15 2HE MET 15 2.914 -2.267 13.363 138 H GLU 16 H GLU 16 -1.758 2.243 10.978 139 HA GLU 16 HA GLU 16 -2.877 3.257 13.413 140 HB2 GLU 16 1HB GLU 16 -2.600 4.672 10.717 141 HB3 GLU 16 2HB GLU 16 -2.917 5.454 12.258 142 HG2 GLU 16 1HG GLU 16 -0.371 4.017 11.472 143 HG3 GLU 16 2HG GLU 16 -0.602 5.761 11.550 144 H ASP 17 H ASP 17 -4.101 3.424 10.068 145 HA ASP 17 HA ASP 17 -6.705 4.288 10.993 146 HB2 ASP 17 1HB ASP 17 -5.675 5.509 9.183 147 HB3 ASP 17 2HB ASP 17 -5.437 4.038 8.252 148 H LEU 18 H LEU 18 -5.495 1.628 8.879 149 HA LEU 18 HA LEU 18 -8.107 0.691 8.246 150 HB2 LEU 18 1HB LEU 18 -5.477 -0.787 7.915 151 HB3 LEU 18 2HB LEU 18 -6.992 -1.183 7.117 152 HG LEU 18 HG LEU 18 -5.224 1.245 6.626 153 HD11 LEU 18 1HD1 LEU 18 -6.057 -1.011 4.784 154 HD12 LEU 18 2HD1 LEU 18 -4.479 -0.801 5.543 155 HD13 LEU 18 3HD1 LEU 18 -5.040 0.370 4.362 156 HD21 LEU 18 3HD2 LEU 18 -6.847 1.994 4.936 157 HD22 LEU 18 1HD2 LEU 18 -7.535 2.021 6.560 158 HD23 LEU 18 2HD2 LEU 18 -7.969 0.728 5.441 159 H ILE 19 H ILE 19 -5.628 -0.596 10.481 160 HA ILE 19 HA ILE 19 -7.546 -2.566 11.529 161 HB ILE 19 HB ILE 19 -4.567 -2.285 12.084 162 HG12 ILE 19 1HG1 ILE 19 -6.010 -4.283 10.281 163 HG13 ILE 19 2HG1 ILE 19 -5.058 -2.912 9.722 164 HG21 ILE 19 1HG2 ILE 19 -6.418 -4.573 12.853 165 HG22 ILE 19 2HG2 ILE 19 -5.723 -3.390 13.964 166 HG23 ILE 19 3HG2 ILE 19 -4.669 -4.516 13.112 167 HD11 ILE 19 3HD1 ILE 19 -3.052 -3.916 10.735 168 HD12 ILE 19 1HD1 ILE 19 -3.791 -4.943 9.508 169 HD13 ILE 19 2HD1 ILE 19 -4.012 -5.318 11.217 170 H GLY 20 H GLY 20 -5.032 -0.935 13.436 171 HA2 GLY 20 1HA GLY 20 -5.650 0.938 14.925 172 HA3 GLY 20 2HA GLY 20 -7.171 0.101 15.203 173 HA PRO 21 HA PRO 21 -5.355 -1.777 18.712 174 HB2 PRO 21 1HB PRO 21 -6.807 -4.066 19.067 175 HB3 PRO 21 2HB PRO 21 -7.526 -2.449 19.174 176 HG2 PRO 21 1HG PRO 21 -7.812 -4.477 17.047 177 HG3 PRO 21 2HG PRO 21 -8.894 -3.143 17.492 178 HD2 PRO 21 1HD PRO 21 -6.979 -3.198 15.330 179 HD3 PRO 21 2HD PRO 21 -8.027 -1.850 15.797 180 H SER 22 H SER 22 -5.719 -4.734 16.626 181 HA SER 22 HA SER 22 -3.259 -5.874 17.668 182 HB2 SER 22 1HB SER 22 -5.278 -7.269 17.211 183 HB3 SER 22 2HB SER 22 -5.123 -6.916 15.488 184 HG SER 22 HG SER 22 -3.257 -8.077 15.414 185 H ALA 23 H ALA 23 -1.988 -4.031 16.920 186 HA ALA 23 HA ALA 23 -0.789 -4.469 14.308 187 HB1 ALA 23 3HB ALA 23 -2.122 -1.834 15.044 188 HB2 ALA 23 1HB ALA 23 -2.579 -2.921 13.726 189 HB3 ALA 23 2HB ALA 23 -1.033 -2.068 13.673 190 H LYS 24 H LYS 24 0.521 -5.161 16.396 191 HA LYS 24 HA LYS 24 2.233 -3.207 17.499 192 HB2 LYS 24 1HB LYS 24 2.447 -6.202 17.176 193 HB3 LYS 24 2HB LYS 24 3.902 -5.311 17.581 194 HG2 LYS 24 1HG LYS 24 3.108 -6.043 19.636 195 HG3 LYS 24 2HG LYS 24 2.600 -4.360 19.563 196 HD2 LYS 24 1HD LYS 24 0.771 -5.654 20.477 197 HD3 LYS 24 2HD LYS 24 0.305 -5.152 18.850 198 HE2 LYS 24 1HE LYS 24 0.731 -7.360 17.972 199 HE3 LYS 24 2HE LYS 24 1.501 -7.878 19.469 200 HZ1 LYS 24 3HZ LYS 24 -1.355 -7.121 19.252 201 HZ2 LYS 24 1HZ LYS 24 -0.572 -7.806 20.584 202 HZ3 LYS 24 2HZ LYS 24 -0.772 -8.704 19.172 203 H GLU 25 H GLU 25 4.642 -3.122 16.997 204 HA GLU 25 HA GLU 25 5.022 -1.960 14.495 205 HB2 GLU 25 1HB GLU 25 7.168 -3.020 16.379 206 HB3 GLU 25 2HB GLU 25 7.452 -1.906 15.041 207 HG2 GLU 25 1HG GLU 25 5.801 -1.355 17.525 208 HG3 GLU 25 2HG GLU 25 7.393 -0.694 17.160 209 H ASP 26 H ASP 26 5.176 -5.308 15.353 210 HA ASP 26 HA ASP 26 6.432 -5.922 12.745 211 HB2 ASP 26 1HB ASP 26 7.793 -6.521 14.812 212 HB3 ASP 26 2HB ASP 26 6.516 -7.637 15.259 213 H GLU 27 H GLU 27 3.431 -5.893 14.074 214 HA GLU 27 HA GLU 27 2.437 -8.455 13.269 215 HB2 GLU 27 1HB GLU 27 1.057 -5.791 13.846 216 HB3 GLU 27 2HB GLU 27 0.141 -7.182 13.253 217 HG2 GLU 27 1HG GLU 27 1.698 -6.999 15.844 218 HG3 GLU 27 2HG GLU 27 -0.052 -6.987 15.660 219 H LEU 28 H LEU 28 2.745 -5.323 11.715 220 HA LEU 28 HA LEU 28 2.045 -6.470 9.102 221 HB2 LEU 28 1HB LEU 28 2.305 -3.635 10.126 222 HB3 LEU 28 2HB LEU 28 2.401 -3.952 8.410 223 HG LEU 28 HG LEU 28 0.148 -3.240 9.033 224 HD11 LEU 28 1HD1 LEU 28 0.191 -6.159 8.216 225 HD12 LEU 28 2HD1 LEU 28 0.372 -4.762 7.147 226 HD13 LEU 28 3HD1 LEU 28 -1.146 -5.023 7.999 227 HD21 LEU 28 3HD2 LEU 28 0.088 -4.024 11.353 228 HD22 LEU 28 1HD2 LEU 28 0.007 -5.698 10.802 229 HD23 LEU 28 2HD2 LEU 28 -1.318 -4.582 10.454 230 H ASP 29 H ASP 29 3.548 -7.126 7.842 231 HA ASP 29 HA ASP 29 6.302 -6.025 7.872 232 HB2 ASP 29 1HB ASP 29 6.300 -8.229 9.006 233 HB3 ASP 29 2HB ASP 29 5.446 -8.959 7.662 234 H ASP 30 H ASP 30 7.409 -6.645 5.771 235 HA ASP 30 HA ASP 30 5.895 -5.492 3.631 236 HB2 ASP 30 1HB ASP 30 8.006 -5.703 2.324 237 HB3 ASP 30 2HB ASP 30 8.224 -4.905 3.878 238 H GLN 31 H GLN 31 6.587 -8.723 4.580 239 HA GLN 31 HA GLN 31 5.443 -9.802 2.070 240 HB2 GLN 31 1HB GLN 31 7.658 -10.936 3.825 241 HB3 GLN 31 2HB GLN 31 6.727 -11.960 2.734 242 HG2 GLN 31 1HG GLN 31 7.421 -10.585 0.818 243 HG3 GLN 31 2HG GLN 31 8.367 -9.555 1.895 244 HE21 GLN 31 1HE2 GLN 31 9.158 -11.297 -0.395 245 HE22 GLN 31 2HE2 GLN 31 10.402 -12.321 0.229 246 H THR 32 H THR 32 4.481 -9.041 5.029 247 HA THR 32 HA THR 32 3.000 -11.245 5.938 248 HB THR 32 HB THR 32 2.499 -8.258 6.094 249 HG1 THR 32 HG1 THR 32 2.884 -10.028 8.262 250 HG21 THR 32 3HG2 THR 32 0.679 -8.681 7.720 251 HG22 THR 32 1HG2 THR 32 0.765 -10.412 7.361 252 HG23 THR 32 2HG2 THR 32 0.261 -9.270 6.113 253 HA PRO 33 HA PRO 33 0.361 -11.678 2.266 254 HB2 PRO 33 1HB PRO 33 -1.278 -13.657 3.219 255 HB3 PRO 33 2HB PRO 33 0.392 -13.967 2.709 256 HG2 PRO 33 1HG PRO 33 -0.686 -13.595 5.490 257 HG3 PRO 33 2HG PRO 33 0.484 -14.799 4.895 258 HD2 PRO 33 1HD PRO 33 1.251 -12.524 6.200 259 HD3 PRO 33 2HD PRO 33 2.263 -13.289 4.949 260 H LEU 34 H LEU 34 -0.549 -9.647 2.324 261 HA LEU 34 HA LEU 34 -2.085 -8.554 4.416 262 HB2 LEU 34 1HB LEU 34 -1.850 -7.645 1.526 263 HB3 LEU 34 2HB LEU 34 -2.420 -6.653 2.858 264 HG LEU 34 HG LEU 34 0.414 -7.756 2.593 265 HD11 LEU 34 1HD1 LEU 34 1.120 -5.472 2.112 266 HD12 LEU 34 2HD1 LEU 34 -0.560 -4.929 2.112 267 HD13 LEU 34 3HD1 LEU 34 0.003 -6.073 0.890 268 HD21 LEU 34 3HD2 LEU 34 -0.710 -5.813 4.635 269 HD22 LEU 34 1HD2 LEU 34 0.988 -6.273 4.466 270 HD23 LEU 34 2HD2 LEU 34 -0.207 -7.478 4.936 271 H LEU 35 H LEU 35 -3.103 -9.748 1.186 272 HA LEU 35 HA LEU 35 -5.896 -9.348 1.629 273 HB2 LEU 35 1HB LEU 35 -4.448 -11.111 -0.365 274 HB3 LEU 35 2HB LEU 35 -6.188 -10.862 -0.370 275 HG LEU 35 HG LEU 35 -4.070 -8.740 -0.883 276 HD11 LEU 35 1HD1 LEU 35 -6.099 -9.986 -2.753 277 HD12 LEU 35 2HD1 LEU 35 -4.358 -10.289 -2.744 278 HD13 LEU 35 3HD1 LEU 35 -4.968 -8.688 -3.146 279 HD21 LEU 35 3HD2 LEU 35 -7.092 -8.431 -0.855 280 HD22 LEU 35 1HD2 LEU 35 -5.930 -7.207 -1.375 281 HD23 LEU 35 2HD2 LEU 35 -5.960 -7.733 0.306 282 H GLU 36 H GLU 36 -3.731 -12.024 2.374 283 HA GLU 36 HA GLU 36 -5.709 -14.037 2.800 284 HB2 GLU 36 1HB GLU 36 -3.216 -14.421 2.454 285 HB3 GLU 36 2HB GLU 36 -2.959 -13.835 4.094 286 HG2 GLU 36 1HG GLU 36 -2.924 -16.225 4.172 287 HG3 GLU 36 2HG GLU 36 -4.436 -15.706 4.916 288 H TRP 37 H TRP 37 -4.117 -11.635 4.870 289 HA TRP 37 HA TRP 37 -5.466 -12.260 7.304 290 HB2 TRP 37 1HB TRP 37 -3.999 -9.796 6.292 291 HB3 TRP 37 2HB TRP 37 -4.826 -9.776 7.844 292 HD1 TRP 37 HD1 TRP 37 -2.608 -12.687 6.506 293 HE1 TRP 37 HE1 TRP 37 -0.665 -13.007 8.165 294 HE3 TRP 37 HE3 TRP 37 -3.555 -8.753 9.641 295 HZ2 TRP 37 HZ2 TRP 37 0.327 -11.772 10.499 296 HZ3 TRP 37 HZ3 TRP 37 -2.055 -8.385 11.565 297 HH2 TRP 37 HH2 TRP 37 -0.149 -9.866 11.981 298 H GLY 38 H GLY 38 -6.402 -10.504 4.437 299 HA2 GLY 38 1HA GLY 38 -8.503 -9.809 3.780 300 HA3 GLY 38 2HA GLY 38 -9.136 -10.215 5.367 301 H ILE 39 H ILE 39 -6.406 -8.357 5.730 302 HA ILE 39 HA ILE 39 -7.805 -6.140 6.839 303 HB ILE 39 HB ILE 39 -5.544 -5.163 7.241 304 HG12 ILE 39 1HG1 ILE 39 -4.532 -7.567 5.634 305 HG13 ILE 39 2HG1 ILE 39 -4.412 -5.879 5.163 306 HG21 ILE 39 1HG2 ILE 39 -4.698 -6.917 8.756 307 HG22 ILE 39 2HG2 ILE 39 -5.745 -8.106 7.982 308 HG23 ILE 39 3HG2 ILE 39 -6.454 -6.753 8.867 309 HD11 ILE 39 3HD1 ILE 39 -2.297 -6.708 5.935 310 HD12 ILE 39 1HD1 ILE 39 -3.002 -7.185 7.479 311 HD13 ILE 39 2HD1 ILE 39 -2.892 -5.476 7.047 312 H LEU 40 H LEU 40 -6.778 -6.844 3.626 313 HA LEU 40 HA LEU 40 -7.305 -4.035 2.774 314 HB2 LEU 40 1HB LEU 40 -5.855 -6.218 1.207 315 HB3 LEU 40 2HB LEU 40 -6.159 -4.581 0.654 316 HG LEU 40 HG LEU 40 -4.220 -5.472 2.817 317 HD11 LEU 40 1HD1 LEU 40 -3.782 -4.022 0.182 318 HD12 LEU 40 2HD1 LEU 40 -3.408 -5.716 0.537 319 HD13 LEU 40 3HD1 LEU 40 -2.539 -4.433 1.371 320 HD21 LEU 40 3HD2 LEU 40 -5.001 -2.609 2.135 321 HD22 LEU 40 1HD2 LEU 40 -3.651 -3.097 3.169 322 HD23 LEU 40 2HD2 LEU 40 -5.302 -3.458 3.659 323 H ASN 41 H ASN 41 -8.900 -3.669 1.332 324 HA ASN 41 HA ASN 41 -10.420 -5.565 -0.170 325 HB2 ASN 41 1HB ASN 41 -12.567 -5.330 1.154 326 HB3 ASN 41 2HB ASN 41 -11.325 -6.262 1.986 327 HD21 ASN 41 1HD2 ASN 41 -10.388 -5.426 3.883 328 HD22 ASN 41 2HD2 ASN 41 -11.022 -4.037 4.699 329 H SER 42 H SER 42 -12.475 -4.423 -1.036 330 HA SER 42 HA SER 42 -11.711 -2.074 -2.349 331 HB2 SER 42 2HB SER 42 -13.295 -3.456 -3.447 332 HB3 SER 42 1HB SER 42 -14.336 -3.565 -2.045 333 H MET 43 H MET 43 -13.624 -2.440 0.617 334 HA MET 43 HA MET 43 -14.649 0.190 0.745 335 HB2 MET 43 1HB MET 43 -15.675 -1.530 2.099 336 HB3 MET 43 2HB MET 43 -14.160 -1.886 2.917 337 HG2 MET 43 1HG MET 43 -15.809 -0.624 4.309 338 HG3 MET 43 2HG MET 43 -14.249 0.182 4.148 339 HE1 MET 43 3HE MET 43 -17.049 0.178 1.298 340 HE2 MET 43 1HE MET 43 -17.967 1.612 1.765 341 HE3 MET 43 2HE MET 43 -18.006 0.174 2.782 342 H ASN 44 H ASN 44 -11.717 -1.261 2.235 343 HA ASN 44 HA ASN 44 -11.055 1.310 3.478 344 HB2 ASN 44 1HB ASN 44 -9.597 0.159 4.890 345 HB3 ASN 44 2HB ASN 44 -10.926 -0.969 4.677 346 HD21 ASN 44 1HD2 ASN 44 -8.138 -1.277 5.430 347 HD22 ASN 44 2HD2 ASN 44 -7.481 -2.452 4.356 348 H ILE 45 H ILE 45 -10.203 -0.368 0.612 349 HA ILE 45 HA ILE 45 -7.449 0.124 0.339 350 HB ILE 45 HB ILE 45 -8.890 -1.436 -1.079 351 HG12 ILE 45 1HG1 ILE 45 -7.522 -0.984 -3.244 352 HG13 ILE 45 2HG1 ILE 45 -6.835 0.383 -2.378 353 HG21 ILE 45 1HG2 ILE 45 -10.674 0.109 -1.731 354 HG22 ILE 45 2HG2 ILE 45 -9.905 -0.584 -3.157 355 HG23 ILE 45 3HG2 ILE 45 -9.529 1.069 -2.671 356 HD11 ILE 45 3HD1 ILE 45 -6.685 -2.502 -1.539 357 HD12 ILE 45 1HD1 ILE 45 -5.946 -1.139 -0.687 358 HD13 ILE 45 2HD1 ILE 45 -5.403 -1.568 -2.310 359 H VAL 46 H VAL 46 -10.194 2.183 -0.190 360 HA VAL 46 HA VAL 46 -9.088 4.126 -1.908 361 HB VAL 46 HB VAL 46 -11.034 5.530 -1.270 362 HG11 VAL 46 1HG1 VAL 46 -12.822 3.984 -2.028 363 HG12 VAL 46 2HG1 VAL 46 -11.766 2.602 -1.722 364 HG13 VAL 46 3HG1 VAL 46 -11.344 3.776 -2.971 365 HG21 VAL 46 3HG2 VAL 46 -11.137 5.043 1.157 366 HG22 VAL 46 1HG2 VAL 46 -11.654 3.387 0.818 367 HG23 VAL 46 2HG2 VAL 46 -12.701 4.745 0.397 368 H LYS 47 H LYS 47 -9.019 3.780 1.631 369 HA LYS 47 HA LYS 47 -7.970 6.380 2.172 370 HB2 LYS 47 1HB LYS 47 -8.052 3.875 3.879 371 HB3 LYS 47 2HB LYS 47 -7.266 5.349 4.422 372 HG2 LYS 47 1HG LYS 47 -9.299 5.759 5.359 373 HG3 LYS 47 2HG LYS 47 -9.656 6.408 3.761 374 HD2 LYS 47 1HD LYS 47 -11.498 5.032 4.344 375 HD3 LYS 47 2HD LYS 47 -10.575 4.105 3.161 376 HE2 LYS 47 1HE LYS 47 -11.306 2.679 5.031 377 HE3 LYS 47 2HE LYS 47 -9.549 2.793 4.981 378 HZ1 LYS 47 3HZ LYS 47 -10.400 2.989 7.233 379 HZ2 LYS 47 1HZ LYS 47 -11.323 4.340 6.805 380 HZ3 LYS 47 2HZ LYS 47 -9.633 4.415 6.762 381 H LEU 48 H LEU 48 -6.494 3.219 1.439 382 HA LEU 48 HA LEU 48 -3.800 4.026 1.845 383 HB2 LEU 48 1HB LEU 48 -5.007 1.841 0.116 384 HB3 LEU 48 2HB LEU 48 -3.276 2.134 0.151 385 HG LEU 48 HG LEU 48 -5.017 1.231 2.474 386 HD11 LEU 48 1HD1 LEU 48 -3.690 -0.813 2.408 387 HD12 LEU 48 2HD1 LEU 48 -2.787 -0.217 1.012 388 HD13 LEU 48 3HD1 LEU 48 -4.517 -0.554 0.872 389 HD21 LEU 48 3HD2 LEU 48 -2.946 1.117 3.812 390 HD22 LEU 48 1HD2 LEU 48 -3.323 2.770 3.326 391 HD23 LEU 48 2HD2 LEU 48 -2.049 1.876 2.493 392 H MET 49 H MET 49 -5.892 4.074 -1.049 393 HA MET 49 HA MET 49 -4.058 4.921 -2.963 394 HB2 MET 49 1HB MET 49 -6.999 5.637 -2.711 395 HB3 MET 49 2HB MET 49 -6.038 5.879 -4.162 396 HG2 MET 49 1HG MET 49 -5.780 3.525 -4.478 397 HG3 MET 49 2HG MET 49 -6.528 3.180 -2.912 398 HE1 MET 49 3HE MET 49 -9.161 1.975 -5.555 399 HE2 MET 49 1HE MET 49 -8.162 1.514 -4.178 400 HE3 MET 49 2HE MET 49 -7.405 1.933 -5.717 401 H VAL 50 H VAL 50 -6.110 6.888 -0.863 402 HA VAL 50 HA VAL 50 -5.163 9.432 -1.840 403 HB VAL 50 HB VAL 50 -6.493 10.481 -0.089 404 HG11 VAL 50 1HG1 VAL 50 -8.748 9.583 -0.616 405 HG12 VAL 50 2HG1 VAL 50 -8.008 8.143 -1.323 406 HG13 VAL 50 3HG1 VAL 50 -7.740 9.725 -2.058 407 HG21 VAL 50 3HG2 VAL 50 -6.921 7.707 1.086 408 HG22 VAL 50 1HG2 VAL 50 -7.678 9.197 1.657 409 HG23 VAL 50 2HG2 VAL 50 -5.929 8.983 1.789 410 H TYR 51 H TYR 51 -4.142 7.267 0.737 411 HA TYR 51 HA TYR 51 -2.484 9.044 2.216 412 HB2 TYR 51 1HB TYR 51 -3.154 6.837 3.105 413 HB3 TYR 51 2HB TYR 51 -2.314 6.022 1.809 414 HD1 TYR 51 HD1 TYR 51 -1.749 8.216 4.795 415 HD2 TYR 51 HD2 TYR 51 0.008 5.435 2.060 416 HE1 TYR 51 HE1 TYR 51 0.284 8.142 6.178 417 HE2 TYR 51 HE2 TYR 51 2.028 5.354 3.436 418 HH TYR 51 HH TYR 51 3.187 6.885 5.093 419 H ILE 52 H ILE 52 -1.823 6.712 -0.311 420 HA ILE 52 HA ILE 52 0.956 7.153 -0.667 421 HB ILE 52 HB ILE 52 -1.202 5.799 -2.347 422 HG12 ILE 52 1HG1 ILE 52 0.876 4.372 -0.654 423 HG13 ILE 52 2HG1 ILE 52 -0.597 4.984 0.083 424 HG21 ILE 52 1HG2 ILE 52 0.700 6.283 -3.825 425 HG22 ILE 52 2HG2 ILE 52 0.540 4.548 -3.534 426 HG23 ILE 52 3HG2 ILE 52 1.789 5.469 -2.698 427 HD11 ILE 52 3HD1 ILE 52 -1.918 3.599 -1.431 428 HD12 ILE 52 1HD1 ILE 52 -0.820 2.664 -0.416 429 HD13 ILE 52 2HD1 ILE 52 -0.421 2.936 -2.114 430 H ARG 53 H ARG 53 -1.940 8.387 -2.203 431 HA ARG 53 HA ARG 53 -1.218 9.869 -4.370 432 HB2 ARG 53 1HB ARG 53 -3.499 9.744 -3.592 433 HB3 ARG 53 2HB ARG 53 -3.079 10.514 -2.072 434 HG2 ARG 53 1HG ARG 53 -2.535 12.611 -3.531 435 HG3 ARG 53 2HG ARG 53 -3.465 11.781 -4.784 436 HD2 ARG 53 1HD ARG 53 -5.408 11.652 -3.256 437 HD3 ARG 53 2HD ARG 53 -4.466 12.442 -1.988 438 HE ARG 53 HE ARG 53 -5.372 13.703 -4.503 439 HH11 ARG 53 1HH1 ARG 53 -4.253 14.082 -1.171 440 HH12 ARG 53 2HH1 ARG 53 -4.595 15.783 -1.140 441 HH21 ARG 53 1HH2 ARG 53 -5.885 15.915 -4.388 442 HH22 ARG 53 2HH2 ARG 53 -5.510 16.810 -2.946 443 H ASP 54 H ASP 54 -0.882 10.875 -0.973 444 HA ASP 54 HA ASP 54 0.545 13.344 -1.714 445 HB2 ASP 54 1HB ASP 54 -0.571 12.350 0.941 446 HB3 ASP 54 2HB ASP 54 0.278 13.882 0.741 447 H GLU 55 H GLU 55 1.031 10.464 0.325 448 HA GLU 55 HA GLU 55 3.523 11.286 1.415 449 HB2 GLU 55 1HB GLU 55 2.038 8.647 1.376 450 HB3 GLU 55 2HB GLU 55 3.626 8.780 2.119 451 HG2 GLU 55 1HG GLU 55 1.255 10.485 2.944 452 HG3 GLU 55 2HG GLU 55 1.664 8.945 3.691 453 H MET 56 H MET 56 2.825 8.653 -0.986 454 HA MET 56 HA MET 56 5.607 8.563 -1.827 455 HB2 MET 56 1HB MET 56 3.082 7.234 -2.858 456 HB3 MET 56 2HB MET 56 4.573 7.157 -3.773 457 HG2 MET 56 1HG MET 56 4.786 5.194 -2.683 458 HG3 MET 56 2HG MET 56 5.478 6.200 -1.420 459 HE1 MET 56 3HE MET 56 4.736 5.786 0.995 460 HE2 MET 56 1HE MET 56 3.034 5.863 1.453 461 HE3 MET 56 2HE MET 56 3.772 7.203 0.576 462 H GLY 57 H GLY 57 2.712 10.310 -2.699 463 HA2 GLY 57 1HA GLY 57 2.361 12.012 -4.213 464 HA3 GLY 57 2HA GLY 57 4.037 11.886 -4.730 465 H VAL 58 H VAL 58 1.608 9.292 -4.676 466 HA VAL 58 HA VAL 58 1.254 9.436 -7.578 467 HB VAL 58 HB VAL 58 3.120 7.839 -7.316 468 HG11 VAL 58 1HG1 VAL 58 2.950 5.701 -6.259 469 HG12 VAL 58 2HG1 VAL 58 1.341 6.115 -5.656 470 HG13 VAL 58 3HG1 VAL 58 2.754 7.013 -5.092 471 HG21 VAL 58 3HG2 VAL 58 1.534 7.533 -9.172 472 HG22 VAL 58 1HG2 VAL 58 0.587 6.425 -8.169 473 HG23 VAL 58 2HG2 VAL 58 2.240 6.007 -8.643 474 H SER 59 H SER 59 -0.829 9.444 -7.935 475 HA SER 59 HA SER 59 -2.783 8.218 -6.179 476 HB2 SER 59 1HB SER 59 -3.307 10.347 -7.293 477 HB3 SER 59 2HB SER 59 -3.075 9.609 -8.874 478 HG SER 59 HG SER 59 -5.308 9.853 -7.874 479 H ILE 60 H ILE 60 -3.113 6.060 -6.307 480 HA ILE 60 HA ILE 60 -2.156 4.474 -8.535 481 HB ILE 60 HB ILE 60 -3.793 3.482 -6.161 482 HG12 ILE 60 1HG1 ILE 60 -0.747 3.548 -6.380 483 HG13 ILE 60 2HG1 ILE 60 -1.697 4.660 -5.398 484 HG21 ILE 60 1HG2 ILE 60 -3.703 1.900 -8.053 485 HG22 ILE 60 2HG2 ILE 60 -2.789 1.283 -6.678 486 HG23 ILE 60 3HG2 ILE 60 -1.938 1.977 -8.059 487 HD11 ILE 60 3HD1 ILE 60 -2.517 2.763 -4.056 488 HD12 ILE 60 1HD1 ILE 60 -0.756 2.903 -4.028 489 HD13 ILE 60 2HD1 ILE 60 -1.519 1.663 -5.020 490 HA PRO 61 HA PRO 61 -6.288 4.484 -10.530 491 HB2 PRO 61 1HB PRO 61 -5.647 2.865 -12.654 492 HB3 PRO 61 2HB PRO 61 -5.195 4.581 -12.591 493 HG2 PRO 61 1HG PRO 61 -3.506 2.175 -11.926 494 HG3 PRO 61 2HG PRO 61 -3.092 3.606 -12.905 495 HD2 PRO 61 1HD PRO 61 -2.317 3.385 -10.318 496 HD3 PRO 61 2HD PRO 61 -2.739 4.960 -11.035 497 H SER 62 H SER 62 -7.994 3.012 -10.565 498 HA SER 62 HA SER 62 -7.845 0.891 -8.669 499 HB2 SER 62 1HB SER 62 -10.293 0.552 -9.283 500 HB3 SER 62 2HB SER 62 -9.866 2.168 -8.725 501 HG SER 62 HG SER 62 -11.157 2.295 -10.552 502 H THR 63 H THR 63 -7.520 0.990 -12.111 503 HA THR 63 HA THR 63 -7.959 -1.767 -12.689 504 HB THR 63 HB THR 63 -8.009 -0.099 -14.498 505 HG1 THR 63 HG1 THR 63 -6.778 -2.412 -14.618 506 HG21 THR 63 3HG2 THR 63 -6.284 1.477 -13.716 507 HG22 THR 63 1HG2 THR 63 -5.949 0.950 -15.368 508 HG23 THR 63 2HG2 THR 63 -5.027 0.274 -14.023 509 H HIS 64 H HIS 64 -5.269 -0.025 -11.285 510 HA HIS 64 HA HIS 64 -3.414 -2.282 -11.588 511 HB2 HIS 64 1HB HIS 64 -3.087 0.625 -10.921 512 HB3 HIS 64 2HB HIS 64 -1.985 -0.472 -10.097 513 HD1 HIS 64 HD1 HIS 64 -2.803 0.833 -13.540 514 HD2 HIS 64 HD2 HIS 64 -0.030 -1.671 -11.704 515 HE1 HIS 64 HE1 HIS 64 -1.055 0.366 -15.277 516 HE2 HIS 64 HE2 HIS 64 0.682 -1.024 -14.096 517 H ILE 65 H ILE 65 -5.872 -1.519 -9.496 518 HA ILE 65 HA ILE 65 -4.627 -2.660 -7.112 519 HB ILE 65 HB ILE 65 -7.619 -2.210 -7.473 520 HG12 ILE 65 1HG1 ILE 65 -6.401 -0.054 -7.851 521 HG13 ILE 65 2HG1 ILE 65 -7.406 -0.028 -6.412 522 HG21 ILE 65 1HG2 ILE 65 -7.001 -3.691 -5.601 523 HG22 ILE 65 2HG2 ILE 65 -7.609 -2.158 -4.975 524 HG23 ILE 65 3HG2 ILE 65 -5.874 -2.481 -4.974 525 HD11 ILE 65 3HD1 ILE 65 -5.431 -0.275 -5.012 526 HD12 ILE 65 1HD1 ILE 65 -5.290 1.111 -6.097 527 HD13 ILE 65 2HD1 ILE 65 -4.412 -0.376 -6.453 528 H THR 66 H THR 66 -4.038 -4.689 -7.570 529 HA THR 66 HA THR 66 -6.135 -6.700 -7.822 530 HB THR 66 HB THR 66 -5.548 -6.434 -10.172 531 HG1 THR 66 HG1 THR 66 -5.877 -8.557 -9.670 532 HG21 THR 66 3HG2 THR 66 -3.316 -5.393 -9.949 533 HG22 THR 66 1HG2 THR 66 -3.250 -6.799 -11.019 534 HG23 THR 66 2HG2 THR 66 -2.657 -6.922 -9.362 535 H GLY 67 H GLY 67 -5.380 -8.819 -7.175 536 HA2 GLY 67 1HA GLY 67 -3.858 -8.705 -4.796 537 HA3 GLY 67 2HA GLY 67 -4.428 -10.168 -5.583 538 H LYS 68 H LYS 68 -2.892 -9.310 -8.058 539 HA LYS 68 HA LYS 68 -0.469 -10.683 -7.657 540 HB2 LYS 68 1HB LYS 68 -1.192 -8.681 -9.855 541 HB3 LYS 68 2HB LYS 68 0.125 -9.854 -9.924 542 HG2 LYS 68 1HG LYS 68 -1.557 -11.704 -9.769 543 HG3 LYS 68 2HG LYS 68 -2.848 -10.501 -9.803 544 HD2 LYS 68 1HD LYS 68 -0.784 -10.841 -12.009 545 HD3 LYS 68 2HD LYS 68 -2.364 -11.622 -12.015 546 HE2 LYS 68 1HE LYS 68 -1.956 -8.612 -11.909 547 HE3 LYS 68 2HE LYS 68 -2.260 -9.527 -13.388 548 HZ1 LYS 68 3HZ LYS 68 -4.084 -9.392 -11.048 549 HZ2 LYS 68 1HZ LYS 68 -4.388 -10.226 -12.486 550 HZ3 LYS 68 2HZ LYS 68 -4.284 -8.542 -12.488 551 H TYR 69 H TYR 69 -1.284 -7.269 -7.401 552 HA TYR 69 HA TYR 69 1.453 -6.558 -6.619 553 HB2 TYR 69 1HB TYR 69 -1.016 -4.812 -7.039 554 HB3 TYR 69 2HB TYR 69 0.585 -4.207 -6.602 555 HD1 TYR 69 HD1 TYR 69 2.465 -5.568 -8.307 556 HD2 TYR 69 HD2 TYR 69 -1.472 -4.219 -9.282 557 HE1 TYR 69 HE1 TYR 69 3.095 -5.441 -10.678 558 HE2 TYR 69 HE2 TYR 69 -0.845 -4.091 -11.649 559 HH TYR 69 HH TYR 69 1.065 -3.948 -13.054 560 H PHE 70 H PHE 70 -1.755 -7.035 -5.204 561 HA PHE 70 HA PHE 70 -0.919 -5.709 -2.709 562 HB2 PHE 70 1HB PHE 70 -3.649 -6.279 -3.929 563 HB3 PHE 70 2HB PHE 70 -3.483 -5.827 -2.229 564 HD1 PHE 70 HD1 PHE 70 -2.849 -4.644 -5.711 565 HD2 PHE 70 HD2 PHE 70 -3.036 -3.549 -1.579 566 HE1 PHE 70 HE1 PHE 70 -2.623 -2.277 -6.325 567 HE2 PHE 70 HE2 PHE 70 -2.815 -1.185 -2.207 568 HZ PHE 70 HZ PHE 70 -2.598 -0.545 -4.573 569 H LYS 71 H LYS 71 -0.521 -8.739 -3.669 570 HA LYS 71 HA LYS 71 -1.570 -10.202 -1.453 571 HB2 LYS 71 1HB LYS 71 -0.310 -12.057 -2.131 572 HB3 LYS 71 2HB LYS 71 -0.705 -11.238 -3.629 573 HG2 LYS 71 1HG LYS 71 1.925 -10.457 -2.508 574 HG3 LYS 71 2HG LYS 71 1.793 -12.161 -2.896 575 HD2 LYS 71 1HD LYS 71 1.184 -9.942 -4.880 576 HD3 LYS 71 2HD LYS 71 2.768 -10.706 -4.718 577 HE2 LYS 71 1HE LYS 71 1.617 -12.929 -5.178 578 HE3 LYS 71 2HE LYS 71 0.172 -12.002 -5.595 579 HZ1 LYS 71 3HZ LYS 71 1.399 -12.517 -7.554 580 HZ2 LYS 71 1HZ LYS 71 2.817 -11.862 -6.917 581 HZ3 LYS 71 2HZ LYS 71 1.518 -10.857 -7.290 582 H ASP 72 H ASP 72 1.406 -8.355 -2.063 583 HA ASP 72 HA ASP 72 1.825 -8.096 0.809 584 HB2 ASP 72 1HB ASP 72 4.047 -8.952 0.882 585 HB3 ASP 72 2HB ASP 72 3.122 -10.176 0.031 586 H LEU 73 H LEU 73 3.685 -6.545 1.204 587 HA LEU 73 HA LEU 73 3.067 -4.095 -0.108 588 HB2 LEU 73 1HB LEU 73 5.074 -4.943 1.965 589 HB3 LEU 73 2HB LEU 73 5.039 -3.287 1.388 590 HG LEU 73 HG LEU 73 2.671 -4.660 2.705 591 HD11 LEU 73 1HD1 LEU 73 4.721 -2.781 3.909 592 HD12 LEU 73 2HD1 LEU 73 4.555 -4.504 4.260 593 HD13 LEU 73 3HD1 LEU 73 3.267 -3.388 4.707 594 HD21 LEU 73 3HD2 LEU 73 2.072 -2.788 1.203 595 HD22 LEU 73 1HD2 LEU 73 3.202 -1.731 2.058 596 HD23 LEU 73 2HD2 LEU 73 1.779 -2.370 2.891 597 H ASN 74 H ASN 74 5.730 -6.398 -0.549 598 HA ASN 74 HA ASN 74 7.513 -4.572 -1.819 599 HB2 ASN 74 1HB ASN 74 7.272 -7.593 -2.113 600 HB3 ASN 74 2HB ASN 74 8.579 -6.651 -2.811 601 HD21 ASN 74 1HD2 ASN 74 7.188 -7.865 0.154 602 HD22 ASN 74 2HD2 ASN 74 8.547 -7.577 1.138 603 H ALA 75 H ALA 75 4.907 -6.639 -2.992 604 HA ALA 75 HA ALA 75 5.270 -6.068 -5.765 605 HB1 ALA 75 3HB ALA 75 2.942 -7.302 -4.307 606 HB2 ALA 75 1HB ALA 75 4.311 -8.168 -5.009 607 HB3 ALA 75 2HB ALA 75 3.181 -7.301 -6.055 608 H ILE 76 H ILE 76 3.347 -4.666 -3.139 609 HA ILE 76 HA ILE 76 1.792 -2.833 -4.679 610 HB ILE 76 HB ILE 76 2.718 -2.617 -1.777 611 HG12 ILE 76 1HG1 ILE 76 0.054 -3.558 -2.922 612 HG13 ILE 76 2HG1 ILE 76 1.285 -4.593 -2.204 613 HG21 ILE 76 1HG2 ILE 76 2.108 -0.369 -2.604 614 HG22 ILE 76 2HG2 ILE 76 0.942 -0.947 -1.419 615 HG23 ILE 76 3HG2 ILE 76 0.535 -0.981 -3.134 616 HD11 ILE 76 3HD1 ILE 76 -0.528 -4.226 -0.659 617 HD12 ILE 76 1HD1 ILE 76 -0.333 -2.478 -0.779 618 HD13 ILE 76 2HD1 ILE 76 0.935 -3.461 -0.039 619 H SER 77 H SER 77 4.975 -2.557 -3.118 620 HA SER 77 HA SER 77 5.258 0.256 -3.529 621 HB2 SER 77 1HB SER 77 7.626 -0.123 -2.747 622 HB3 SER 77 2HB SER 77 6.416 -0.786 -1.653 623 HG SER 77 HG SER 77 7.011 -2.767 -2.158 624 H ARG 78 H ARG 78 6.362 -2.646 -5.248 625 HA ARG 78 HA ARG 78 8.221 -1.353 -6.941 626 HB2 ARG 78 1HB ARG 78 8.416 -3.408 -8.150 627 HB3 ARG 78 2HB ARG 78 8.188 -3.826 -6.455 628 HG2 ARG 78 1HG ARG 78 5.883 -4.437 -6.845 629 HG3 ARG 78 2HG ARG 78 5.963 -3.870 -8.514 630 HD2 ARG 78 1HD ARG 78 7.541 -6.188 -7.346 631 HD3 ARG 78 2HD ARG 78 6.121 -6.320 -8.391 632 HE ARG 78 HE ARG 78 8.350 -4.807 -9.491 633 HH11 ARG 78 1HH1 ARG 78 6.840 -7.980 -9.319 634 HH12 ARG 78 2HH1 ARG 78 7.616 -8.549 -10.757 635 HH21 ARG 78 1HH2 ARG 78 9.369 -5.579 -11.357 636 HH22 ARG 78 2HH2 ARG 78 9.051 -7.191 -11.913 637 H THR 79 H THR 79 4.731 -1.985 -7.257 638 HA THR 79 HA THR 79 4.622 -1.151 -10.025 639 HB THR 79 HB THR 79 2.934 -2.790 -9.071 640 HG1 THR 79 HG1 THR 79 2.604 -0.871 -10.834 641 HG21 THR 79 3HG2 THR 79 2.433 -1.638 -6.921 642 HG22 THR 79 1HG2 THR 79 0.974 -1.945 -7.871 643 HG23 THR 79 2HG2 THR 79 1.667 -0.323 -7.821 644 H VAL 80 H VAL 80 4.228 0.294 -6.838 645 HA VAL 80 HA VAL 80 3.034 2.758 -7.575 646 HB VAL 80 HB VAL 80 4.435 1.691 -5.133 647 HG11 VAL 80 1HG1 VAL 80 4.320 3.829 -3.902 648 HG12 VAL 80 2HG1 VAL 80 3.898 4.649 -5.406 649 HG13 VAL 80 3HG1 VAL 80 5.474 3.890 -5.240 650 HG21 VAL 80 3HG2 VAL 80 1.789 3.134 -5.511 651 HG22 VAL 80 1HG2 VAL 80 2.311 2.298 -4.037 652 HG23 VAL 80 2HG2 VAL 80 2.008 1.370 -5.513 653 H GLU 81 H GLU 81 6.409 1.728 -7.448 654 HA GLU 81 HA GLU 81 7.520 4.335 -7.846 655 HB2 GLU 81 1HB GLU 81 8.810 1.668 -8.532 656 HB3 GLU 81 2HB GLU 81 9.634 3.205 -8.309 657 HG2 GLU 81 1HG GLU 81 8.306 1.495 -6.197 658 HG3 GLU 81 2HG GLU 81 10.005 1.882 -6.368 659 H GLN 82 H GLN 82 6.435 1.807 -10.014 660 HA GLN 82 HA GLN 82 7.298 3.013 -12.486 661 HB2 GLN 82 1HB GLN 82 6.915 0.610 -12.382 662 HB3 GLN 82 2HB GLN 82 5.255 0.853 -11.859 663 HG2 GLN 82 1HG GLN 82 5.353 0.134 -14.191 664 HG3 GLN 82 2HG GLN 82 4.656 1.747 -14.053 665 HE21 GLN 82 1HE2 GLN 82 5.105 2.204 -16.222 666 HE22 GLN 82 2HE2 GLN 82 6.701 2.532 -16.798 667 H LEU 83 H LEU 83 4.208 2.803 -10.791 668 HA LEU 83 HA LEU 83 2.597 4.372 -12.476 669 HB2 LEU 83 1HB LEU 83 2.414 3.736 -9.499 670 HB3 LEU 83 2HB LEU 83 1.165 4.626 -10.353 671 HG LEU 83 HG LEU 83 1.992 1.760 -10.963 672 HD11 LEU 83 1HD1 LEU 83 -0.485 2.758 -9.526 673 HD12 LEU 83 2HD1 LEU 83 0.883 1.919 -8.788 674 HD13 LEU 83 3HD1 LEU 83 -0.129 1.083 -9.963 675 HD21 LEU 83 3HD2 LEU 83 1.166 2.889 -12.964 676 HD22 LEU 83 1HD2 LEU 83 -0.291 3.406 -12.107 677 HD23 LEU 83 2HD2 LEU 83 0.005 1.692 -12.406 678 H LYS 84 H LYS 84 4.863 5.148 -9.932 679 HA LYS 84 HA LYS 84 4.233 7.798 -9.280 680 HB2 LYS 84 1HB LYS 84 6.002 6.161 -8.280 681 HB3 LYS 84 2HB LYS 84 7.057 6.716 -9.544 682 HG2 LYS 84 1HG LYS 84 7.745 8.133 -7.888 683 HG3 LYS 84 2HG LYS 84 6.422 9.110 -8.538 684 HD2 LYS 84 1HD LYS 84 6.352 9.002 -6.078 685 HD3 LYS 84 2HD LYS 84 4.913 8.272 -6.796 686 HE2 LYS 84 1HE LYS 84 5.738 6.912 -4.926 687 HE3 LYS 84 2HE LYS 84 5.886 6.023 -6.437 688 HZ1 LYS 84 3HZ LYS 84 8.247 6.635 -6.482 689 HZ2 LYS 84 1HZ LYS 84 7.848 5.727 -5.118 690 HZ3 LYS 84 2HZ LYS 84 8.088 7.398 -4.987 691 H ALA 85 H ALA 85 6.263 6.415 -11.773 692 HA ALA 85 HA ALA 85 7.253 8.813 -12.931 693 HB1 ALA 85 3HB ALA 85 7.128 5.973 -14.031 694 HB2 ALA 85 1HB ALA 85 8.458 6.682 -13.110 695 HB3 ALA 85 2HB ALA 85 8.080 7.293 -14.723 696 H GLU 86 H GLU 86 4.692 6.527 -13.836 697 HA GLU 86 HA GLU 86 3.907 7.802 -16.253 698 HB2 GLU 86 1HB GLU 86 2.376 5.867 -14.470 699 HB3 GLU 86 2HB GLU 86 1.976 6.243 -16.146 700 HG2 GLU 86 1HG GLU 86 3.992 5.206 -16.945 701 HG3 GLU 86 2HG GLU 86 4.623 5.027 -15.309 702 H SER 87 H SER 87 2.807 8.144 -12.907 703 HA SER 87 HA SER 87 0.454 9.697 -13.480 704 HB2 SER 87 1HB SER 87 0.645 8.348 -11.401 705 HB3 SER 87 2HB SER 87 1.981 9.354 -10.861 706 HG SER 87 HG SER 87 -0.654 10.319 -11.355 707 H ALA 88 H ALA 88 3.841 10.391 -12.766 708 HA ALA 88 HA ALA 88 3.654 13.235 -12.577 709 HB1 ALA 88 3HB ALA 88 6.106 13.197 -12.909 710 HB2 ALA 88 1HB ALA 88 6.026 11.494 -13.375 711 HB3 ALA 88 2HB ALA 88 5.618 11.980 -11.729 712 H LEU 89 H LEU 89 4.008 10.934 -15.228 713 HA LEU 89 HA LEU 89 4.351 12.936 -17.298 714 HB2 LEU 89 1HB LEU 89 3.817 9.943 -17.505 715 HB3 LEU 89 2HB LEU 89 4.193 10.987 -18.866 716 HG LEU 89 HG LEU 89 6.065 10.345 -16.564 717 HD11 LEU 89 1HD1 LEU 89 5.760 8.427 -18.039 718 HD12 LEU 89 2HD1 LEU 89 7.384 9.091 -18.190 719 HD13 LEU 89 3HD1 LEU 89 6.183 9.413 -19.444 720 HD21 LEU 89 3HD2 LEU 89 6.470 12.615 -17.384 721 HD22 LEU 89 1HD2 LEU 89 6.601 12.016 -19.040 722 HD23 LEU 89 2HD2 LEU 89 7.798 11.548 -17.828 723 H GLU 90 H GLU 90 1.648 11.703 -15.605 724 HA GLU 90 HA GLU 90 -0.274 11.830 -17.751 725 HB2 GLU 90 1HB GLU 90 -0.594 10.314 -15.802 726 HB3 GLU 90 2HB GLU 90 -0.742 11.713 -14.746 727 HG2 GLU 90 1HG GLU 90 -2.953 10.832 -15.218 728 HG3 GLU 90 2HG GLU 90 -2.785 12.415 -15.981 729 H282 PNS 101 2H28 PNS 142 -12.368 -0.644 -6.796 730 H281 PNS 101 3H28 PNS 142 -11.759 -1.298 -5.287 731 H303 PNS 101 2H51 PNS 142 -13.118 -2.215 -8.658 732 H302 PNS 101 3H51 PNS 142 -14.187 -3.047 -7.531 733 H301 PNS 101 1H51 PNS 142 -12.955 -3.966 -8.424 734 H313 PNS 101 2H52 PNS 142 -12.112 -4.861 -6.235 735 H312 PNS 101 3H52 PNS 142 -11.580 -3.764 -4.963 736 H311 PNS 101 1H52 PNS 142 -13.309 -3.917 -5.339 737 H32 PNS 101 H32 PNS 142 -10.656 -1.896 -8.057 738 H33 PNS 101 H33 PNS 142 -9.971 -1.756 -5.857 739 H36 PNS 101 H36 PNS 142 -9.965 -4.846 -6.429 740 H372 PNS 101 2H37 PNS 142 -9.223 -6.375 -8.795 741 H371 PNS 101 3H37 PNS 142 -10.541 -7.012 -7.803 742 H382 PNS 101 2H38 PNS 142 -7.716 -6.385 -6.898 743 H381 PNS 101 3H38 PNS 142 -8.410 -7.993 -7.108 744 H41 PNS 101 H41 PNS 142 -8.497 -5.048 -5.227 745 H422 PNS 101 2H42 PNS 142 -10.301 -5.005 -3.358 746 H421 PNS 101 3H42 PNS 142 -9.354 -6.378 -2.755 747 H431 PNS 101 2H43 PNS 142 -8.307 -3.563 -3.231 748 H432 PNS 101 3H43 PNS 142 -8.617 -4.313 -1.656 749 H44 PNS 101 H44 PNS 142 -5.852 -4.328 -2.083 Start of MODEL 10 1 H1 MET 1 1H MET 1 12.577 8.487 -2.114 2 H2 MET 1 2H MET 1 11.034 7.807 -2.074 3 H3 MET 1 3H MET 1 11.380 9.065 -3.154 4 HA MET 1 HA MET 1 11.290 6.955 -4.286 5 HB2 MET 1 1HB MET 1 12.887 8.841 -4.956 6 HB3 MET 1 2HB MET 1 14.168 7.941 -4.159 7 HG2 MET 1 1HG MET 1 14.318 7.494 -6.501 8 HG3 MET 1 2HG MET 1 13.683 6.031 -5.743 9 HE1 MET 1 3HE MET 1 13.514 6.540 -8.896 10 HE2 MET 1 1HE MET 1 11.840 6.116 -9.259 11 HE3 MET 1 2HE MET 1 12.784 5.108 -8.165 12 H ASP 2 H ASP 2 13.016 6.925 -1.302 13 HA ASP 2 HA ASP 2 14.569 4.579 -1.510 14 HB2 ASP 2 1HB ASP 2 13.234 5.622 1.029 15 HB3 ASP 2 2HB ASP 2 14.629 4.556 0.945 16 H GLY 3 H GLY 3 14.121 2.429 -1.092 17 HA2 GLY 3 1HA GLY 3 11.571 1.443 -1.756 18 HA3 GLY 3 2HA GLY 3 12.913 0.488 -1.155 19 H GLU 4 H GLU 4 13.356 1.136 1.332 20 HA GLU 4 HA GLU 4 11.310 -0.101 2.801 21 HB2 GLU 4 1HB GLU 4 12.624 0.370 4.798 22 HB3 GLU 4 2HB GLU 4 13.688 -0.143 3.493 23 HG2 GLU 4 1HG GLU 4 14.480 2.120 3.142 24 HG3 GLU 4 2HG GLU 4 13.268 2.774 4.246 25 H GLU 5 H GLU 5 11.913 3.302 2.134 26 HA GLU 5 HA GLU 5 10.180 4.444 4.044 27 HB2 GLU 5 1HB GLU 5 11.206 5.416 1.366 28 HB3 GLU 5 2HB GLU 5 10.011 6.361 2.246 29 HG2 GLU 5 1HG GLU 5 12.655 5.530 3.482 30 HG3 GLU 5 2HG GLU 5 12.464 7.016 2.550 31 H VAL 6 H VAL 6 9.583 3.596 0.594 32 HA VAL 6 HA VAL 6 6.869 4.313 0.519 33 HB VAL 6 HB VAL 6 8.176 2.054 -1.078 34 HG11 VAL 6 1HG1 VAL 6 5.643 3.644 -1.689 35 HG12 VAL 6 2HG1 VAL 6 5.714 1.950 -1.196 36 HG13 VAL 6 3HG1 VAL 6 6.381 2.441 -2.754 37 HG21 VAL 6 3HG2 VAL 6 7.936 5.007 -1.811 38 HG22 VAL 6 1HG2 VAL 6 8.561 3.734 -2.866 39 HG23 VAL 6 2HG2 VAL 6 9.424 4.161 -1.387 40 H LYS 7 H LYS 7 8.343 1.145 1.334 41 HA LYS 7 HA LYS 7 5.886 -0.224 1.718 42 HB2 LYS 7 1HB LYS 7 8.700 -0.875 2.626 43 HB3 LYS 7 2HB LYS 7 7.344 -1.850 3.154 44 HG2 LYS 7 1HG LYS 7 7.823 -3.112 1.327 45 HG3 LYS 7 2HG LYS 7 6.885 -1.891 0.469 46 HD2 LYS 7 1HD LYS 7 8.945 -2.307 -0.741 47 HD3 LYS 7 2HD LYS 7 9.008 -0.680 -0.056 48 HE2 LYS 7 1HE LYS 7 11.160 -1.737 0.268 49 HE3 LYS 7 2HE LYS 7 10.376 -1.601 1.839 50 HZ1 LYS 7 3HZ LYS 7 11.417 -3.743 1.542 51 HZ2 LYS 7 1HZ LYS 7 10.483 -4.049 0.167 52 HZ3 LYS 7 2HZ LYS 7 9.748 -3.922 1.686 53 H GLU 8 H GLU 8 8.168 1.048 4.208 54 HA GLU 8 HA GLU 8 6.594 0.275 6.384 55 HB2 GLU 8 1HB GLU 8 9.135 0.939 6.302 56 HB3 GLU 8 2HB GLU 8 8.553 2.576 6.594 57 HG2 GLU 8 1HG GLU 8 7.338 1.704 8.606 58 HG3 GLU 8 2HG GLU 8 8.108 0.149 8.326 59 H LYS 9 H LYS 9 6.629 3.280 4.547 60 HA LYS 9 HA LYS 9 5.006 4.920 6.126 61 HB2 LYS 9 1HB LYS 9 5.432 4.711 3.140 62 HB3 LYS 9 2HB LYS 9 4.215 5.816 3.753 63 HG2 LYS 9 1HG LYS 9 5.931 7.023 5.032 64 HG3 LYS 9 2HG LYS 9 7.166 5.899 4.448 65 HD2 LYS 9 1HD LYS 9 6.749 6.620 2.124 66 HD3 LYS 9 2HD LYS 9 5.465 7.703 2.676 67 HE2 LYS 9 1HE LYS 9 8.411 7.923 3.369 68 HE3 LYS 9 2HE LYS 9 7.528 8.959 2.242 69 HZ1 LYS 9 3HZ LYS 9 7.705 10.071 4.326 70 HZ2 LYS 9 1HZ LYS 9 7.104 8.736 5.170 71 HZ3 LYS 9 2HZ LYS 9 6.092 9.606 4.136 72 H ILE 10 H ILE 10 4.030 2.819 3.417 73 HA ILE 10 HA ILE 10 1.253 3.203 3.666 74 HB ILE 10 HB ILE 10 2.775 0.869 2.429 75 HG12 ILE 10 1HG1 ILE 10 1.601 3.340 1.068 76 HG13 ILE 10 2HG1 ILE 10 3.297 3.170 1.502 77 HG21 ILE 10 1HG2 ILE 10 -0.137 1.667 1.992 78 HG22 ILE 10 2HG2 ILE 10 0.427 0.221 2.831 79 HG23 ILE 10 3HG2 ILE 10 0.725 0.407 1.103 80 HD11 ILE 10 3HD1 ILE 10 2.951 2.743 -0.839 81 HD12 ILE 10 1HD1 ILE 10 1.792 1.465 -0.479 82 HD13 ILE 10 2HD1 ILE 10 3.491 1.270 -0.035 83 H ARG 11 H ARG 11 3.425 0.717 5.002 84 HA ARG 11 HA ARG 11 1.344 -0.905 6.090 85 HB2 ARG 11 1HB ARG 11 2.939 -2.447 6.650 86 HB3 ARG 11 2HB ARG 11 3.795 -1.557 5.430 87 HG2 ARG 11 1HG ARG 11 5.474 -1.799 6.953 88 HG3 ARG 11 2HG ARG 11 4.814 -0.257 7.493 89 HD2 ARG 11 1HD ARG 11 3.965 -1.149 9.449 90 HD3 ARG 11 2HD ARG 11 3.639 -2.718 8.722 91 HE ARG 11 HE ARG 11 5.773 -3.426 9.230 92 HH11 ARG 11 1HH1 ARG 11 5.466 -0.068 10.023 93 HH12 ARG 11 2HH1 ARG 11 6.916 -0.018 10.972 94 HH21 ARG 11 1HH2 ARG 11 7.640 -3.418 10.489 95 HH22 ARG 11 2HH2 ARG 11 8.169 -1.947 11.240 96 H ARG 12 H ARG 12 3.204 1.780 7.288 97 HA ARG 12 HA ARG 12 2.600 1.599 10.024 98 HB2 ARG 12 1HB ARG 12 3.746 3.601 8.227 99 HB3 ARG 12 2HB ARG 12 2.600 4.408 9.274 100 HG2 ARG 12 1HG ARG 12 4.894 4.535 10.124 101 HG3 ARG 12 2HG ARG 12 3.830 3.675 11.244 102 HD2 ARG 12 1HD ARG 12 4.720 1.529 10.435 103 HD3 ARG 12 2HD ARG 12 5.746 2.392 9.287 104 HE ARG 12 HE ARG 12 7.186 2.968 10.969 105 HH11 ARG 12 1HH1 ARG 12 4.332 1.495 12.442 106 HH12 ARG 12 2HH1 ARG 12 5.076 1.344 13.997 107 HH21 ARG 12 1HH2 ARG 12 8.105 2.758 13.052 108 HH22 ARG 12 2HH2 ARG 12 7.182 2.048 14.337 109 H TYR 13 H TYR 13 0.993 3.209 7.348 110 HA TYR 13 HA TYR 13 -1.180 4.301 8.799 111 HB2 TYR 13 1HB TYR 13 -0.296 5.132 6.611 112 HB3 TYR 13 2HB TYR 13 -0.954 3.691 5.828 113 HD1 TYR 13 HD1 TYR 13 -2.180 6.371 8.196 114 HD2 TYR 13 HD2 TYR 13 -2.984 4.030 4.716 115 HE1 TYR 13 HE1 TYR 13 -4.314 7.528 7.909 116 HE2 TYR 13 HE2 TYR 13 -5.108 5.183 4.441 117 HH TYR 13 HH TYR 13 -6.741 6.361 5.892 118 H ILE 14 H ILE 14 -0.676 1.153 7.318 119 HA ILE 14 HA ILE 14 -3.389 0.246 7.340 120 HB ILE 14 HB ILE 14 -0.779 -1.325 7.450 121 HG12 ILE 14 1HG1 ILE 14 -2.580 -0.922 5.026 122 HG13 ILE 14 2HG1 ILE 14 -1.280 0.198 5.415 123 HG21 ILE 14 1HG2 ILE 14 -3.565 -2.394 6.823 124 HG22 ILE 14 2HG2 ILE 14 -2.620 -2.753 8.269 125 HG23 ILE 14 3HG2 ILE 14 -2.059 -3.309 6.692 126 HD11 ILE 14 3HD1 ILE 14 0.315 -1.654 5.281 127 HD12 ILE 14 1HD1 ILE 14 -0.538 -1.341 3.769 128 HD13 ILE 14 2HD1 ILE 14 -1.003 -2.718 4.770 129 H MET 15 H MET 15 -0.826 0.366 9.729 130 HA MET 15 HA MET 15 -2.208 -1.255 11.705 131 HB2 MET 15 1HB MET 15 0.300 0.459 11.958 132 HB3 MET 15 2HB MET 15 -0.222 -0.793 13.088 133 HG2 MET 15 1HG MET 15 0.180 -2.520 11.488 134 HG3 MET 15 2HG MET 15 0.394 -1.361 10.185 135 HE1 MET 15 3HE MET 15 3.417 -2.281 13.491 136 HE2 MET 15 1HE MET 15 1.882 -3.109 13.228 137 HE3 MET 15 2HE MET 15 1.897 -1.459 13.860 138 H GLU 16 H GLU 16 -1.975 2.110 10.862 139 HA GLU 16 HA GLU 16 -2.977 3.167 13.380 140 HB2 GLU 16 1HB GLU 16 -2.635 4.559 10.690 141 HB3 GLU 16 2HB GLU 16 -2.922 5.351 12.237 142 HG2 GLU 16 1HG GLU 16 -0.455 3.726 11.568 143 HG3 GLU 16 2HG GLU 16 -0.563 5.476 11.416 144 H ASP 17 H ASP 17 -4.175 3.168 10.019 145 HA ASP 17 HA ASP 17 -6.837 4.025 10.864 146 HB2 ASP 17 1HB ASP 17 -5.800 5.297 9.069 147 HB3 ASP 17 2HB ASP 17 -5.509 3.836 8.135 148 H LEU 18 H LEU 18 -5.540 1.553 8.602 149 HA LEU 18 HA LEU 18 -8.033 0.420 7.931 150 HB2 LEU 18 1HB LEU 18 -5.198 -0.665 7.659 151 HB3 LEU 18 2HB LEU 18 -6.600 -1.542 7.068 152 HG LEU 18 HG LEU 18 -7.114 0.344 5.509 153 HD11 LEU 18 1HD1 LEU 18 -5.472 2.086 4.994 154 HD12 LEU 18 2HD1 LEU 18 -4.483 1.568 6.363 155 HD13 LEU 18 3HD1 LEU 18 -6.090 2.240 6.641 156 HD21 LEU 18 3HD2 LEU 18 -5.348 -0.144 3.890 157 HD22 LEU 18 1HD2 LEU 18 -5.889 -1.602 4.720 158 HD23 LEU 18 2HD2 LEU 18 -4.355 -0.849 5.167 159 H ILE 19 H ILE 19 -5.535 -0.758 10.129 160 HA ILE 19 HA ILE 19 -7.455 -2.488 11.566 161 HB ILE 19 HB ILE 19 -4.423 -2.789 11.713 162 HG12 ILE 19 1HG1 ILE 19 -6.152 -4.396 9.781 163 HG13 ILE 19 2HG1 ILE 19 -5.150 -3.034 9.289 164 HG21 ILE 19 1HG2 ILE 19 -6.651 -4.793 12.268 165 HG22 ILE 19 2HG2 ILE 19 -5.728 -3.908 13.484 166 HG23 ILE 19 3HG2 ILE 19 -4.920 -5.095 12.461 167 HD11 ILE 19 3HD1 ILE 19 -4.061 -5.153 8.844 168 HD12 ILE 19 1HD1 ILE 19 -4.149 -5.585 10.551 169 HD13 ILE 19 2HD1 ILE 19 -3.156 -4.219 10.031 170 H GLY 20 H GLY 20 -7.043 -2.534 13.948 171 HA2 GLY 20 1HA GLY 20 -5.634 -0.144 15.012 172 HA3 GLY 20 2HA GLY 20 -7.180 -0.705 15.643 173 HA PRO 21 HA PRO 21 -4.855 -2.780 18.742 174 HB2 PRO 21 1HB PRO 21 -6.673 -4.590 19.723 175 HB3 PRO 21 2HB PRO 21 -6.869 -2.835 19.921 176 HG2 PRO 21 1HG PRO 21 -8.143 -4.649 17.896 177 HG3 PRO 21 2HG PRO 21 -8.882 -3.361 18.874 178 HD2 PRO 21 1HD PRO 21 -8.153 -2.979 16.276 179 HD3 PRO 21 2HD PRO 21 -8.112 -1.666 17.471 180 H SER 22 H SER 22 -6.076 -4.801 16.124 181 HA SER 22 HA SER 22 -4.350 -7.081 16.855 182 HB2 SER 22 1HB SER 22 -6.731 -7.438 16.097 183 HB3 SER 22 2HB SER 22 -6.285 -6.812 14.509 184 HG SER 22 HG SER 22 -4.551 -8.587 14.743 185 H ALA 23 H ALA 23 -3.147 -4.543 16.088 186 HA ALA 23 HA ALA 23 -1.335 -5.576 14.036 187 HB1 ALA 23 3HB ALA 23 -2.553 -2.794 13.874 188 HB2 ALA 23 1HB ALA 23 -2.833 -4.133 12.755 189 HB3 ALA 23 2HB ALA 23 -1.230 -3.406 12.873 190 H LYS 24 H LYS 24 -0.270 -5.996 16.048 191 HA LYS 24 HA LYS 24 0.944 -3.911 17.573 192 HB2 LYS 24 1HB LYS 24 0.496 -6.294 18.351 193 HB3 LYS 24 2HB LYS 24 1.796 -6.835 17.303 194 HG2 LYS 24 1HG LYS 24 2.419 -4.735 19.364 195 HG3 LYS 24 2HG LYS 24 2.145 -6.384 19.928 196 HD2 LYS 24 1HD LYS 24 3.971 -7.180 18.412 197 HD3 LYS 24 2HD LYS 24 4.252 -5.511 17.901 198 HE2 LYS 24 1HE LYS 24 4.808 -4.923 20.263 199 HE3 LYS 24 2HE LYS 24 4.613 -6.622 20.707 200 HZ1 LYS 24 3HZ LYS 24 6.404 -7.186 19.229 201 HZ2 LYS 24 1HZ LYS 24 6.927 -6.024 20.336 202 HZ3 LYS 24 2HZ LYS 24 6.576 -5.575 18.742 203 H GLU 25 H GLU 25 3.386 -3.614 17.551 204 HA GLU 25 HA GLU 25 4.210 -2.365 15.264 205 HB2 GLU 25 1HB GLU 25 6.051 -3.627 17.339 206 HB3 GLU 25 2HB GLU 25 6.532 -2.398 16.179 207 HG2 GLU 25 1HG GLU 25 6.229 -1.149 18.092 208 HG3 GLU 25 2HG GLU 25 4.673 -0.943 17.296 209 H ASP 26 H ASP 26 4.787 -5.729 16.085 210 HA ASP 26 HA ASP 26 6.401 -6.134 13.650 211 HB2 ASP 26 1HB ASP 26 6.290 -7.722 16.255 212 HB3 ASP 26 2HB ASP 26 7.337 -8.112 14.891 213 H GLU 27 H GLU 27 3.298 -6.335 14.243 214 HA GLU 27 HA GLU 27 2.753 -9.026 13.268 215 HB2 GLU 27 1HB GLU 27 0.928 -6.690 13.966 216 HB3 GLU 27 2HB GLU 27 0.303 -8.109 13.108 217 HG2 GLU 27 1HG GLU 27 1.324 -9.467 15.075 218 HG3 GLU 27 2HG GLU 27 1.398 -7.915 15.914 219 H LEU 28 H LEU 28 3.056 -5.783 11.984 220 HA LEU 28 HA LEU 28 2.374 -6.782 9.283 221 HB2 LEU 28 1HB LEU 28 2.255 -4.025 10.533 222 HB3 LEU 28 2HB LEU 28 2.491 -4.156 8.806 223 HG LEU 28 HG LEU 28 0.135 -3.767 9.294 224 HD11 LEU 28 1HD1 LEU 28 0.552 -6.607 8.309 225 HD12 LEU 28 2HD1 LEU 28 0.653 -5.134 7.337 226 HD13 LEU 28 3HD1 LEU 28 -0.883 -5.606 8.056 227 HD21 LEU 28 3HD2 LEU 28 -1.257 -5.345 10.543 228 HD22 LEU 28 1HD2 LEU 28 0.028 -4.693 11.562 229 HD23 LEU 28 2HD2 LEU 28 0.164 -6.332 10.915 230 H ASP 29 H ASP 29 4.028 -7.330 8.145 231 HA ASP 29 HA ASP 29 6.635 -5.907 8.301 232 HB2 ASP 29 1HB ASP 29 5.960 -8.644 7.100 233 HB3 ASP 29 2HB ASP 29 7.564 -7.918 7.131 234 H ASP 30 H ASP 30 7.725 -6.110 6.008 235 HA ASP 30 HA ASP 30 5.989 -4.887 4.020 236 HB2 ASP 30 1HB ASP 30 7.994 -4.462 2.750 237 HB3 ASP 30 2HB ASP 30 8.313 -4.045 4.431 238 H GLN 31 H GLN 31 7.057 -8.014 4.855 239 HA GLN 31 HA GLN 31 6.277 -9.184 2.210 240 HB2 GLN 31 1HB GLN 31 8.256 -10.244 4.306 241 HB3 GLN 31 2HB GLN 31 7.714 -11.147 2.894 242 HG2 GLN 31 1HG GLN 31 8.674 -9.326 1.442 243 HG3 GLN 31 2HG GLN 31 9.363 -8.604 2.898 244 HE21 GLN 31 1HE2 GLN 31 10.682 -9.750 0.520 245 HE22 GLN 31 2HE2 GLN 31 11.754 -10.971 1.106 246 H THR 32 H THR 32 4.710 -8.437 4.726 247 HA THR 32 HA THR 32 3.541 -10.963 5.562 248 HB THR 32 HB THR 32 2.905 -8.057 6.136 249 HG1 THR 32 HG1 THR 32 4.520 -9.747 7.228 250 HG21 THR 32 3HG2 THR 32 1.321 -10.430 7.162 251 HG22 THR 32 1HG2 THR 32 0.718 -9.208 6.048 252 HG23 THR 32 2HG2 THR 32 1.142 -8.759 7.705 253 HA PRO 33 HA PRO 33 0.749 -11.019 1.964 254 HB2 PRO 33 1HB PRO 33 -0.788 -13.163 2.728 255 HB3 PRO 33 2HB PRO 33 0.865 -13.356 2.119 256 HG2 PRO 33 1HG PRO 33 -0.096 -13.337 4.970 257 HG3 PRO 33 2HG PRO 33 1.056 -14.443 4.180 258 HD2 PRO 33 1HD PRO 33 1.890 -12.346 5.707 259 HD3 PRO 33 2HD PRO 33 2.817 -12.914 4.299 260 H LEU 34 H LEU 34 -0.234 -9.004 2.424 261 HA LEU 34 HA LEU 34 -1.977 -8.389 4.553 262 HB2 LEU 34 1HB LEU 34 -2.076 -7.013 1.831 263 HB3 LEU 34 2HB LEU 34 -2.510 -6.346 3.395 264 HG LEU 34 HG LEU 34 0.088 -6.695 3.923 265 HD11 LEU 34 1HD1 LEU 34 0.637 -7.867 1.873 266 HD12 LEU 34 2HD1 LEU 34 1.527 -6.354 2.005 267 HD13 LEU 34 3HD1 LEU 34 0.140 -6.469 0.915 268 HD21 LEU 34 3HD2 LEU 34 -0.878 -4.437 2.161 269 HD22 LEU 34 1HD2 LEU 34 0.573 -4.428 3.165 270 HD23 LEU 34 2HD2 LEU 34 -1.018 -4.510 3.921 271 H LEU 35 H LEU 35 -2.586 -9.271 1.211 272 HA LEU 35 HA LEU 35 -5.398 -8.962 1.199 273 HB2 LEU 35 1HB LEU 35 -3.804 -8.911 -0.774 274 HB3 LEU 35 2HB LEU 35 -3.703 -10.658 -0.660 275 HG LEU 35 HG LEU 35 -6.196 -10.767 -1.079 276 HD11 LEU 35 1HD1 LEU 35 -6.841 -8.532 -0.322 277 HD12 LEU 35 2HD1 LEU 35 -7.342 -8.777 -1.993 278 HD13 LEU 35 3HD1 LEU 35 -5.922 -7.788 -1.635 279 HD21 LEU 35 3HD2 LEU 35 -4.540 -9.429 -3.242 280 HD22 LEU 35 1HD2 LEU 35 -6.027 -10.351 -3.490 281 HD23 LEU 35 2HD2 LEU 35 -4.585 -11.160 -2.880 282 H GLU 36 H GLU 36 -3.262 -11.683 1.864 283 HA GLU 36 HA GLU 36 -5.197 -13.767 1.897 284 HB2 GLU 36 1HB GLU 36 -2.739 -14.145 1.696 285 HB3 GLU 36 2HB GLU 36 -2.519 -13.573 3.342 286 HG2 GLU 36 1HG GLU 36 -2.404 -16.010 3.240 287 HG3 GLU 36 2HG GLU 36 -3.790 -15.489 4.204 288 H TRP 37 H TRP 37 -3.838 -11.646 4.407 289 HA TRP 37 HA TRP 37 -5.384 -12.620 6.601 290 HB2 TRP 37 1HB TRP 37 -3.925 -9.987 6.138 291 HB3 TRP 37 2HB TRP 37 -4.740 -10.366 7.649 292 HD1 TRP 37 HD1 TRP 37 -2.724 -13.170 5.956 293 HE1 TRP 37 HE1 TRP 37 -0.652 -13.650 7.380 294 HE3 TRP 37 HE3 TRP 37 -3.074 -9.264 9.249 295 HZ2 TRP 37 HZ2 TRP 37 0.673 -12.545 9.604 296 HZ3 TRP 37 HZ3 TRP 37 -1.351 -9.046 11.002 297 HH2 TRP 37 HH2 TRP 37 0.487 -10.659 11.173 298 H GLY 38 H GLY 38 -6.147 -10.560 3.932 299 HA2 GLY 38 1HA GLY 38 -8.209 -9.865 3.186 300 HA3 GLY 38 2HA GLY 38 -8.943 -10.464 4.664 301 H ILE 39 H ILE 39 -6.284 -8.360 5.074 302 HA ILE 39 HA ILE 39 -7.895 -6.434 6.484 303 HB ILE 39 HB ILE 39 -5.789 -5.336 7.084 304 HG12 ILE 39 1HG1 ILE 39 -4.431 -7.299 5.171 305 HG13 ILE 39 2HG1 ILE 39 -4.565 -5.565 4.932 306 HG21 ILE 39 1HG2 ILE 39 -6.492 -7.288 8.399 307 HG22 ILE 39 2HG2 ILE 39 -4.734 -7.213 8.317 308 HG23 ILE 39 3HG2 ILE 39 -5.611 -8.370 7.315 309 HD11 ILE 39 3HD1 ILE 39 -2.989 -6.950 7.092 310 HD12 ILE 39 1HD1 ILE 39 -3.149 -5.202 6.907 311 HD13 ILE 39 2HD1 ILE 39 -2.354 -6.152 5.655 312 H LEU 40 H LEU 40 -7.051 -6.711 3.220 313 HA LEU 40 HA LEU 40 -7.266 -3.798 2.708 314 HB2 LEU 40 1HB LEU 40 -6.254 -6.028 0.889 315 HB3 LEU 40 2HB LEU 40 -6.404 -4.342 0.417 316 HG LEU 40 HG LEU 40 -4.479 -5.490 2.475 317 HD11 LEU 40 1HD1 LEU 40 -3.976 -4.171 -0.218 318 HD12 LEU 40 2HD1 LEU 40 -3.796 -5.887 0.165 319 HD13 LEU 40 3HD1 LEU 40 -2.734 -4.702 0.922 320 HD21 LEU 40 3HD2 LEU 40 -5.276 -3.317 3.287 321 HD22 LEU 40 1HD2 LEU 40 -4.899 -2.566 1.729 322 HD23 LEU 40 2HD2 LEU 40 -3.605 -3.199 2.751 323 H ASN 41 H ASN 41 -9.637 -4.388 3.335 324 HA ASN 41 HA ASN 41 -11.304 -5.239 1.102 325 HB2 ASN 41 1HB ASN 41 -12.125 -3.674 3.600 326 HB3 ASN 41 2HB ASN 41 -13.205 -4.514 2.493 327 HD21 ASN 41 1HD2 ASN 41 -11.505 -6.936 2.300 328 HD22 ASN 41 2HD2 ASN 41 -11.670 -7.736 3.821 329 H SER 42 H SER 42 -12.897 -3.660 0.098 330 HA SER 42 HA SER 42 -11.378 -1.731 -1.283 331 HB2 SER 42 2HB SER 42 -13.335 -2.918 -2.244 332 HB3 SER 42 1HB SER 42 -14.411 -1.937 -1.231 333 H MET 43 H MET 43 -13.603 -1.366 1.410 334 HA MET 43 HA MET 43 -13.955 1.420 1.371 335 HB2 MET 43 1HB MET 43 -15.471 0.106 2.674 336 HB3 MET 43 2HB MET 43 -14.172 -0.644 3.587 337 HG2 MET 43 1HG MET 43 -15.499 1.010 4.893 338 HG3 MET 43 2HG MET 43 -13.778 1.384 4.828 339 HE1 MET 43 3HE MET 43 -16.505 2.044 1.980 340 HE2 MET 43 1HE MET 43 -16.991 3.686 2.400 341 HE3 MET 43 2HE MET 43 -17.368 2.350 3.487 342 H ASN 44 H ASN 44 -11.491 -0.572 3.017 343 HA ASN 44 HA ASN 44 -10.286 1.806 4.228 344 HB2 ASN 44 1HB ASN 44 -8.794 0.217 5.404 345 HB3 ASN 44 2HB ASN 44 -10.500 -0.118 5.667 346 HD21 ASN 44 1HD2 ASN 44 -7.659 -1.153 3.838 347 HD22 ASN 44 2HD2 ASN 44 -8.156 -2.790 3.672 348 H ILE 45 H ILE 45 -9.704 -0.226 1.435 349 HA ILE 45 HA ILE 45 -6.862 0.197 1.276 350 HB ILE 45 HB ILE 45 -8.114 -1.782 0.249 351 HG12 ILE 45 1HG1 ILE 45 -6.263 -0.298 -1.670 352 HG13 ILE 45 2HG1 ILE 45 -5.698 -1.199 -0.265 353 HG21 ILE 45 1HG2 ILE 45 -8.740 0.194 -1.992 354 HG22 ILE 45 2HG2 ILE 45 -9.917 -0.516 -0.891 355 HG23 ILE 45 3HG2 ILE 45 -9.049 -1.549 -2.026 356 HD11 ILE 45 3HD1 ILE 45 -5.421 -2.471 -2.304 357 HD12 ILE 45 1HD1 ILE 45 -7.147 -2.356 -2.644 358 HD13 ILE 45 2HD1 ILE 45 -6.581 -3.262 -1.238 359 H VAL 46 H VAL 46 -9.660 1.925 0.101 360 HA VAL 46 HA VAL 46 -8.373 3.549 -1.850 361 HB VAL 46 HB VAL 46 -10.350 5.039 -1.675 362 HG11 VAL 46 1HG1 VAL 46 -10.465 3.104 -3.154 363 HG12 VAL 46 2HG1 VAL 46 -12.048 3.382 -2.424 364 HG13 VAL 46 3HG1 VAL 46 -11.015 2.080 -1.824 365 HG21 VAL 46 3HG2 VAL 46 -11.259 3.221 0.589 366 HG22 VAL 46 1HG2 VAL 46 -12.237 4.487 -0.160 367 HG23 VAL 46 2HG2 VAL 46 -10.786 4.914 0.749 368 H LYS 47 H LYS 47 -8.638 3.747 1.651 369 HA LYS 47 HA LYS 47 -7.579 6.374 1.904 370 HB2 LYS 47 1HB LYS 47 -7.958 4.110 3.853 371 HB3 LYS 47 2HB LYS 47 -6.907 5.442 4.299 372 HG2 LYS 47 1HG LYS 47 -8.823 6.328 5.143 373 HG3 LYS 47 2HG LYS 47 -9.036 6.890 3.488 374 HD2 LYS 47 1HD LYS 47 -11.135 5.983 4.121 375 HD3 LYS 47 2HD LYS 47 -10.405 4.755 3.080 376 HE2 LYS 47 1HE LYS 47 -9.773 3.430 5.005 377 HE3 LYS 47 2HE LYS 47 -10.293 4.703 6.110 378 HZ1 LYS 47 3HZ LYS 47 -12.533 4.353 5.500 379 HZ2 LYS 47 1HZ LYS 47 -11.866 2.845 5.855 380 HZ3 LYS 47 2HZ LYS 47 -12.115 3.309 4.248 381 H LEU 48 H LEU 48 -6.082 3.236 1.388 382 HA LEU 48 HA LEU 48 -3.407 4.126 1.797 383 HB2 LEU 48 1HB LEU 48 -4.491 1.861 0.087 384 HB3 LEU 48 2HB LEU 48 -2.774 2.196 0.257 385 HG LEU 48 HG LEU 48 -4.687 1.278 2.434 386 HD11 LEU 48 1HD1 LEU 48 -3.937 -0.506 0.931 387 HD12 LEU 48 2HD1 LEU 48 -3.255 -0.706 2.542 388 HD13 LEU 48 3HD1 LEU 48 -2.249 -0.075 1.235 389 HD21 LEU 48 3HD2 LEU 48 -3.156 2.934 3.409 390 HD22 LEU 48 1HD2 LEU 48 -1.766 2.071 2.745 391 HD23 LEU 48 2HD2 LEU 48 -2.767 1.318 3.988 392 H MET 49 H MET 49 -5.547 4.084 -1.087 393 HA MET 49 HA MET 49 -3.672 4.942 -3.009 394 HB2 MET 49 1HB MET 49 -6.640 5.632 -2.912 395 HB3 MET 49 2HB MET 49 -5.613 5.707 -4.342 396 HG2 MET 49 1HG MET 49 -5.403 3.326 -4.410 397 HG3 MET 49 2HG MET 49 -6.170 3.152 -2.825 398 HE1 MET 49 3HE MET 49 -9.050 1.667 -4.865 399 HE2 MET 49 1HE MET 49 -8.074 1.575 -3.397 400 HE3 MET 49 2HE MET 49 -7.320 1.351 -4.979 401 H VAL 50 H VAL 50 -5.781 6.827 -0.874 402 HA VAL 50 HA VAL 50 -4.979 9.407 -1.865 403 HB VAL 50 HB VAL 50 -6.348 10.410 -0.167 404 HG11 VAL 50 1HG1 VAL 50 -7.580 9.427 -2.051 405 HG12 VAL 50 2HG1 VAL 50 -8.539 9.325 -0.574 406 HG13 VAL 50 3HG1 VAL 50 -7.718 7.890 -1.188 407 HG21 VAL 50 3HG2 VAL 50 -6.504 7.699 1.202 408 HG22 VAL 50 1HG2 VAL 50 -7.402 9.138 1.693 409 HG23 VAL 50 2HG2 VAL 50 -5.638 9.112 1.801 410 H TYR 51 H TYR 51 -3.851 7.262 0.613 411 HA TYR 51 HA TYR 51 -2.226 9.045 2.117 412 HB2 TYR 51 1HB TYR 51 -2.905 6.803 2.951 413 HB3 TYR 51 2HB TYR 51 -1.992 6.036 1.677 414 HD1 TYR 51 HD1 TYR 51 -1.639 8.164 4.726 415 HD2 TYR 51 HD2 TYR 51 0.364 5.585 1.955 416 HE1 TYR 51 HE1 TYR 51 0.361 8.188 6.148 417 HE2 TYR 51 HE2 TYR 51 2.349 5.590 3.379 418 HH TYR 51 HH TYR 51 3.340 7.288 5.124 419 H ILE 52 H ILE 52 -1.551 6.766 -0.493 420 HA ILE 52 HA ILE 52 1.247 7.212 -0.741 421 HB ILE 52 HB ILE 52 -0.765 5.867 -2.588 422 HG12 ILE 52 1HG1 ILE 52 1.192 4.414 -0.779 423 HG13 ILE 52 2HG1 ILE 52 -0.326 5.012 -0.123 424 HG21 ILE 52 1HG2 ILE 52 1.150 4.681 -3.630 425 HG22 ILE 52 2HG2 ILE 52 2.268 5.658 -2.674 426 HG23 ILE 52 3HG2 ILE 52 1.241 6.427 -3.886 427 HD11 ILE 52 3HD1 ILE 52 -1.566 3.675 -1.689 428 HD12 ILE 52 1HD1 ILE 52 -0.465 2.685 -0.728 429 HD13 ILE 52 2HD1 ILE 52 -0.058 3.073 -2.402 430 H ARG 53 H ARG 53 -1.603 8.505 -2.474 431 HA ARG 53 HA ARG 53 -0.177 9.876 -4.525 432 HB2 ARG 53 1HB ARG 53 -2.202 10.933 -5.130 433 HB3 ARG 53 2HB ARG 53 -2.688 9.370 -4.486 434 HG2 ARG 53 1HG ARG 53 -3.303 10.456 -2.347 435 HG3 ARG 53 2HG ARG 53 -2.834 12.021 -3.012 436 HD2 ARG 53 1HD ARG 53 -4.568 11.695 -4.810 437 HD3 ARG 53 2HD ARG 53 -5.094 10.232 -3.960 438 HE ARG 53 HE ARG 53 -5.053 12.584 -2.286 439 HH11 ARG 53 1HH1 ARG 53 -7.037 10.724 -4.486 440 HH12 ARG 53 2HH1 ARG 53 -8.523 11.376 -3.879 441 HH21 ARG 53 1HH2 ARG 53 -7.024 13.485 -1.558 442 HH22 ARG 53 2HH2 ARG 53 -8.519 12.922 -2.242 443 H ASP 54 H ASP 54 -0.663 10.626 -1.206 444 HA ASP 54 HA ASP 54 0.143 13.433 -1.428 445 HB2 ASP 54 1HB ASP 54 -1.644 12.922 0.132 446 HB3 ASP 54 2HB ASP 54 -0.693 11.651 0.894 447 H GLU 55 H GLU 55 1.278 10.502 0.241 448 HA GLU 55 HA GLU 55 3.740 11.540 1.210 449 HB2 GLU 55 1HB GLU 55 2.658 8.709 0.923 450 HB3 GLU 55 2HB GLU 55 4.216 9.046 1.670 451 HG2 GLU 55 1HG GLU 55 1.694 10.352 2.710 452 HG3 GLU 55 2HG GLU 55 2.118 8.709 3.175 453 H MET 56 H MET 56 3.156 8.967 -1.202 454 HA MET 56 HA MET 56 5.850 9.135 -2.259 455 HB2 MET 56 1HB MET 56 3.565 7.224 -2.548 456 HB3 MET 56 2HB MET 56 4.684 7.292 -3.898 457 HG2 MET 56 1HG MET 56 5.223 5.498 -2.317 458 HG3 MET 56 2HG MET 56 6.526 6.673 -2.460 459 HE1 MET 56 3HE MET 56 3.171 6.857 -0.364 460 HE2 MET 56 1HE MET 56 3.745 6.250 1.188 461 HE3 MET 56 2HE MET 56 3.711 5.180 -0.219 462 H GLY 57 H GLY 57 2.851 10.597 -2.968 463 HA2 GLY 57 1HA GLY 57 2.192 12.061 -4.605 464 HA3 GLY 57 2HA GLY 57 3.787 11.949 -5.326 465 H VAL 58 H VAL 58 1.854 9.075 -4.748 466 HA VAL 58 HA VAL 58 1.636 8.653 -7.683 467 HB VAL 58 HB VAL 58 1.969 6.520 -5.537 468 HG11 VAL 58 1HG1 VAL 58 2.049 6.285 -8.573 469 HG12 VAL 58 2HG1 VAL 58 0.757 5.708 -7.518 470 HG13 VAL 58 3HG1 VAL 58 2.356 4.970 -7.432 471 HG21 VAL 58 3HG2 VAL 58 4.069 7.667 -7.408 472 HG22 VAL 58 1HG2 VAL 58 4.289 6.243 -6.387 473 HG23 VAL 58 2HG2 VAL 58 4.024 7.823 -5.651 474 H SER 59 H SER 59 -0.447 8.858 -8.270 475 HA SER 59 HA SER 59 -2.681 7.984 -6.652 476 HB2 SER 59 1HB SER 59 -3.996 8.519 -8.757 477 HB3 SER 59 2HB SER 59 -3.026 9.861 -8.156 478 HG SER 59 HG SER 59 -2.054 8.098 -10.157 479 H ILE 60 H ILE 60 -3.376 5.878 -6.554 480 HA ILE 60 HA ILE 60 -2.646 3.990 -8.710 481 HB ILE 60 HB ILE 60 -3.827 3.307 -5.980 482 HG12 ILE 60 1HG1 ILE 60 -0.892 3.099 -6.820 483 HG13 ILE 60 2HG1 ILE 60 -1.536 4.347 -5.757 484 HG21 ILE 60 1HG2 ILE 60 -4.248 1.602 -7.734 485 HG22 ILE 60 2HG2 ILE 60 -3.128 0.989 -6.518 486 HG23 ILE 60 3HG2 ILE 60 -2.518 1.521 -8.085 487 HD11 ILE 60 3HD1 ILE 60 -1.452 1.382 -5.195 488 HD12 ILE 60 1HD1 ILE 60 -2.178 2.598 -4.134 489 HD13 ILE 60 2HD1 ILE 60 -0.442 2.630 -4.468 490 HA PRO 61 HA PRO 61 -7.076 4.510 -9.811 491 HB2 PRO 61 1HB PRO 61 -6.987 2.990 -12.115 492 HB3 PRO 61 2HB PRO 61 -6.469 4.686 -12.056 493 HG2 PRO 61 1HG PRO 61 -4.774 2.205 -11.953 494 HG3 PRO 61 2HG PRO 61 -4.511 3.710 -12.864 495 HD2 PRO 61 1HD PRO 61 -3.229 3.208 -10.521 496 HD3 PRO 61 2HD PRO 61 -3.686 4.858 -11.007 497 H SER 62 H SER 62 -8.853 3.091 -9.629 498 HA SER 62 HA SER 62 -8.450 0.843 -7.918 499 HB2 SER 62 1HB SER 62 -11.019 0.658 -8.159 500 HB3 SER 62 2HB SER 62 -10.376 2.151 -7.476 501 HG SER 62 HG SER 62 -11.338 3.150 -9.018 502 H THR 63 H THR 63 -8.751 1.165 -11.351 503 HA THR 63 HA THR 63 -9.375 -1.539 -12.021 504 HB THR 63 HB THR 63 -9.668 0.264 -13.673 505 HG1 THR 63 HG1 THR 63 -8.583 -2.060 -14.167 506 HG21 THR 63 3HG2 THR 63 -7.761 1.341 -14.799 507 HG22 THR 63 1HG2 THR 63 -6.639 0.506 -13.723 508 HG23 THR 63 2HG2 THR 63 -7.751 1.714 -13.073 509 H HIS 64 H HIS 64 -6.536 -0.105 -10.717 510 HA HIS 64 HA HIS 64 -4.705 -2.135 -11.805 511 HB2 HIS 64 1HB HIS 64 -4.236 0.510 -11.585 512 HB3 HIS 64 2HB HIS 64 -3.725 0.056 -9.966 513 HD1 HIS 64 HD1 HIS 64 -2.968 -0.670 -13.598 514 HD2 HIS 64 HD2 HIS 64 -1.195 -1.121 -9.865 515 HE1 HIS 64 HE1 HIS 64 -0.646 -1.500 -14.055 516 HE2 HIS 64 HE2 HIS 64 0.387 -1.823 -11.787 517 H ILE 65 H ILE 65 -6.803 -2.014 -9.332 518 HA ILE 65 HA ILE 65 -5.118 -3.127 -7.218 519 HB ILE 65 HB ILE 65 -8.157 -2.884 -7.137 520 HG12 ILE 65 1HG1 ILE 65 -7.249 -0.631 -7.599 521 HG13 ILE 65 2HG1 ILE 65 -7.908 -0.716 -5.973 522 HG21 ILE 65 1HG2 ILE 65 -7.819 -2.902 -4.668 523 HG22 ILE 65 2HG2 ILE 65 -6.080 -3.080 -4.911 524 HG23 ILE 65 3HG2 ILE 65 -7.176 -4.360 -5.429 525 HD11 ILE 65 3HD1 ILE 65 -5.877 0.572 -6.032 526 HD12 ILE 65 1HD1 ILE 65 -4.992 -0.785 -6.727 527 HD13 ILE 65 2HD1 ILE 65 -5.631 -0.895 -5.083 528 H THR 66 H THR 66 -4.528 -5.160 -7.623 529 HA THR 66 HA THR 66 -6.550 -7.240 -7.955 530 HB THR 66 HB THR 66 -5.954 -6.892 -10.277 531 HG1 THR 66 HG1 THR 66 -5.822 -8.981 -10.514 532 HG21 THR 66 3HG2 THR 66 -3.035 -7.157 -9.456 533 HG22 THR 66 1HG2 THR 66 -3.830 -5.682 -10.018 534 HG23 THR 66 2HG2 THR 66 -3.627 -7.049 -11.117 535 H GLY 67 H GLY 67 -5.580 -9.414 -7.655 536 HA2 GLY 67 1HA GLY 67 -4.050 -9.468 -5.221 537 HA3 GLY 67 2HA GLY 67 -4.710 -10.845 -6.086 538 H LYS 68 H LYS 68 -2.990 -9.239 -8.372 539 HA LYS 68 HA LYS 68 -0.551 -10.782 -8.034 540 HB2 LYS 68 1HB LYS 68 -1.605 -10.482 -10.262 541 HB3 LYS 68 2HB LYS 68 -1.344 -8.746 -10.159 542 HG2 LYS 68 1HG LYS 68 1.064 -9.032 -10.278 543 HG3 LYS 68 2HG LYS 68 0.908 -10.784 -10.135 544 HD2 LYS 68 1HD LYS 68 1.381 -10.100 -12.459 545 HD3 LYS 68 2HD LYS 68 -0.186 -10.903 -12.324 546 HE2 LYS 68 1HE LYS 68 -1.294 -8.669 -12.342 547 HE3 LYS 68 2HE LYS 68 0.285 -7.906 -12.539 548 HZ1 LYS 68 3HZ LYS 68 0.538 -9.032 -14.640 549 HZ2 LYS 68 1HZ LYS 68 -0.915 -8.168 -14.629 550 HZ3 LYS 68 2HZ LYS 68 -0.926 -9.844 -14.428 551 H TYR 69 H TYR 69 -1.605 -7.432 -7.623 552 HA TYR 69 HA TYR 69 1.123 -6.519 -6.963 553 HB2 TYR 69 1HB TYR 69 -1.457 -4.946 -7.367 554 HB3 TYR 69 2HB TYR 69 0.093 -4.221 -6.933 555 HD1 TYR 69 HD2 TYR 69 2.105 -5.234 -8.577 556 HD2 TYR 69 HD1 TYR 69 -1.992 -4.664 -9.653 557 HE1 TYR 69 HE2 TYR 69 2.745 -5.113 -10.938 558 HE2 TYR 69 HE1 TYR 69 -1.351 -4.546 -12.019 559 HH TYR 69 HH TYR 69 1.779 -5.408 -13.131 560 H PHE 70 H PHE 70 -2.154 -6.406 -5.535 561 HA PHE 70 HA PHE 70 -1.106 -5.426 -3.008 562 HB2 PHE 70 1HB PHE 70 -3.912 -5.821 -4.103 563 HB3 PHE 70 2HB PHE 70 -3.629 -5.352 -2.424 564 HD1 PHE 70 HD1 PHE 70 -3.059 -4.296 -5.966 565 HD2 PHE 70 HD2 PHE 70 -3.005 -3.090 -1.858 566 HE1 PHE 70 HE1 PHE 70 -2.681 -1.968 -6.647 567 HE2 PHE 70 HE2 PHE 70 -2.645 -0.762 -2.551 568 HZ PHE 70 HZ PHE 70 -2.472 -0.197 -4.943 569 H LYS 71 H LYS 71 -0.818 -8.298 -4.052 570 HA LYS 71 HA LYS 71 -1.812 -10.006 -2.000 571 HB2 LYS 71 1HB LYS 71 -0.332 -11.669 -2.985 572 HB3 LYS 71 2HB LYS 71 -1.095 -10.758 -4.276 573 HG2 LYS 71 1HG LYS 71 1.081 -9.367 -4.362 574 HG3 LYS 71 2HG LYS 71 1.785 -10.626 -3.347 575 HD2 LYS 71 1HD LYS 71 0.791 -10.832 -6.202 576 HD3 LYS 71 2HD LYS 71 2.396 -11.203 -5.574 577 HE2 LYS 71 1HE LYS 71 -0.144 -12.798 -5.126 578 HE3 LYS 71 2HE LYS 71 1.217 -13.254 -6.151 579 HZ1 LYS 71 3HZ LYS 71 2.614 -13.332 -4.167 580 HZ2 LYS 71 1HZ LYS 71 1.314 -14.406 -4.048 581 HZ3 LYS 71 2HZ LYS 71 1.287 -12.944 -3.199 582 H ASP 72 H ASP 72 1.190 -8.164 -2.518 583 HA ASP 72 HA ASP 72 1.852 -8.291 0.315 584 HB2 ASP 72 1HB ASP 72 3.153 -10.218 -0.666 585 HB3 ASP 72 2HB ASP 72 3.925 -9.125 -1.802 586 H LEU 73 H LEU 73 3.409 -6.736 0.930 587 HA LEU 73 HA LEU 73 2.727 -4.190 -0.118 588 HB2 LEU 73 1HB LEU 73 3.016 -4.768 2.286 589 HB3 LEU 73 2HB LEU 73 4.735 -4.995 2.008 590 HG LEU 73 HG LEU 73 4.926 -2.569 1.410 591 HD11 LEU 73 1HD1 LEU 73 2.644 -2.135 0.661 592 HD12 LEU 73 2HD1 LEU 73 3.101 -1.021 1.949 593 HD13 LEU 73 3HD1 LEU 73 2.035 -2.386 2.301 594 HD21 LEU 73 3HD2 LEU 73 4.702 -1.739 3.729 595 HD22 LEU 73 1HD2 LEU 73 5.511 -3.298 3.633 596 HD23 LEU 73 2HD2 LEU 73 3.830 -3.208 4.160 597 H ASN 74 H ASN 74 5.613 -6.242 -0.424 598 HA ASN 74 HA ASN 74 7.267 -4.303 -1.748 599 HB2 ASN 74 1HB ASN 74 7.297 -7.355 -1.805 600 HB3 ASN 74 2HB ASN 74 8.455 -6.383 -2.704 601 HD21 ASN 74 1HD2 ASN 74 7.487 -7.508 0.437 602 HD22 ASN 74 2HD2 ASN 74 8.861 -6.902 1.299 603 H ALA 75 H ALA 75 4.858 -6.666 -2.842 604 HA ALA 75 HA ALA 75 5.140 -6.145 -5.658 605 HB1 ALA 75 3HB ALA 75 2.901 -7.540 -4.151 606 HB2 ALA 75 1HB ALA 75 4.339 -8.317 -4.817 607 HB3 ALA 75 2HB ALA 75 3.153 -7.578 -5.898 608 H ILE 76 H ILE 76 3.329 -4.664 -3.058 609 HA ILE 76 HA ILE 76 1.634 -3.006 -4.699 610 HB ILE 76 HB ILE 76 2.549 -2.664 -1.800 611 HG12 ILE 76 1HG1 ILE 76 -0.133 -3.632 -2.885 612 HG13 ILE 76 2HG1 ILE 76 1.116 -4.673 -2.220 613 HG21 ILE 76 1HG2 ILE 76 1.936 -0.460 -2.723 614 HG22 ILE 76 2HG2 ILE 76 0.748 -0.982 -1.530 615 HG23 ILE 76 3HG2 ILE 76 0.376 -1.098 -3.251 616 HD11 ILE 76 3HD1 ILE 76 0.833 -3.585 -0.027 617 HD12 ILE 76 1HD1 ILE 76 -0.654 -4.325 -0.619 618 HD13 ILE 76 2HD1 ILE 76 -0.448 -2.577 -0.711 619 H SER 77 H SER 77 4.821 -2.709 -3.155 620 HA SER 77 HA SER 77 5.187 0.079 -3.569 621 HB2 SER 77 1HB SER 77 6.380 -1.156 -1.784 622 HB3 SER 77 2HB SER 77 7.251 -2.095 -2.995 623 HG SER 77 HG SER 77 7.528 0.591 -3.401 624 H ARG 78 H ARG 78 6.078 -2.816 -5.430 625 HA ARG 78 HA ARG 78 7.861 -1.632 -7.242 626 HB2 ARG 78 1HB ARG 78 7.562 -3.579 -8.690 627 HB3 ARG 78 2HB ARG 78 7.667 -4.097 -7.011 628 HG2 ARG 78 1HG ARG 78 5.239 -4.404 -6.928 629 HG3 ARG 78 2HG ARG 78 5.085 -3.813 -8.578 630 HD2 ARG 78 1HD ARG 78 6.607 -6.314 -7.780 631 HD3 ARG 78 2HD ARG 78 4.944 -6.298 -8.375 632 HE ARG 78 HE ARG 78 6.588 -4.964 -10.234 633 HH11 ARG 78 1HH1 ARG 78 6.033 -8.238 -9.070 634 HH12 ARG 78 2HH1 ARG 78 6.537 -8.975 -10.553 635 HH21 ARG 78 1HH2 ARG 78 7.259 -5.964 -12.154 636 HH22 ARG 78 2HH2 ARG 78 7.231 -7.693 -12.297 637 H THR 79 H THR 79 4.330 -1.947 -7.274 638 HA THR 79 HA THR 79 4.106 -0.832 -9.944 639 HB THR 79 HB THR 79 2.512 -2.663 -9.003 640 HG1 THR 79 HG1 THR 79 2.020 -0.459 -10.592 641 HG21 THR 79 3HG2 THR 79 1.833 -1.465 -6.897 642 HG22 THR 79 1HG2 THR 79 0.454 -1.887 -7.920 643 HG23 THR 79 2HG2 THR 79 1.053 -0.224 -7.890 644 H VAL 80 H VAL 80 3.928 0.316 -6.618 645 HA VAL 80 HA VAL 80 2.700 2.837 -7.068 646 HB VAL 80 HB VAL 80 4.700 1.870 -4.984 647 HG11 VAL 80 1HG1 VAL 80 4.408 3.977 -3.704 648 HG12 VAL 80 2HG1 VAL 80 3.488 4.659 -5.046 649 HG13 VAL 80 3HG1 VAL 80 5.192 4.267 -5.261 650 HG21 VAL 80 3HG2 VAL 80 2.788 2.064 -3.421 651 HG22 VAL 80 1HG2 VAL 80 2.401 1.009 -4.781 652 HG23 VAL 80 2HG2 VAL 80 1.768 2.655 -4.736 653 H GLU 81 H GLU 81 6.086 1.780 -7.230 654 HA GLU 81 HA GLU 81 7.207 4.281 -7.999 655 HB2 GLU 81 1HB GLU 81 8.272 1.451 -8.371 656 HB3 GLU 81 2HB GLU 81 9.223 2.926 -8.532 657 HG2 GLU 81 1HG GLU 81 7.872 1.989 -5.977 658 HG3 GLU 81 2HG GLU 81 9.571 1.763 -6.367 659 H GLN 82 H GLN 82 5.873 1.569 -9.788 660 HA GLN 82 HA GLN 82 6.754 2.351 -12.400 661 HB2 GLN 82 1HB GLN 82 6.256 0.026 -11.997 662 HB3 GLN 82 2HB GLN 82 4.638 0.401 -11.426 663 HG2 GLN 82 1HG GLN 82 4.639 -0.623 -13.672 664 HG3 GLN 82 2HG GLN 82 3.915 0.982 -13.658 665 HE21 GLN 82 1HE2 GLN 82 4.209 1.315 -15.847 666 HE22 GLN 82 2HE2 GLN 82 5.761 1.551 -16.575 667 H LEU 83 H LEU 83 3.751 2.771 -10.587 668 HA LEU 83 HA LEU 83 2.225 4.055 -12.635 669 HB2 LEU 83 1HB LEU 83 1.914 3.870 -9.621 670 HB3 LEU 83 2HB LEU 83 0.770 4.759 -10.610 671 HG LEU 83 HG LEU 83 1.327 1.775 -10.826 672 HD11 LEU 83 1HD1 LEU 83 -0.893 1.444 -9.852 673 HD12 LEU 83 2HD1 LEU 83 -1.070 3.187 -9.627 674 HD13 LEU 83 3HD1 LEU 83 0.177 2.303 -8.743 675 HD21 LEU 83 3HD2 LEU 83 -0.738 3.466 -12.280 676 HD22 LEU 83 1HD2 LEU 83 -0.617 1.703 -12.343 677 HD23 LEU 83 2HD2 LEU 83 0.684 2.698 -12.993 678 H LYS 84 H LYS 84 4.434 5.128 -10.156 679 HA LYS 84 HA LYS 84 3.995 7.918 -10.228 680 HB2 LYS 84 1HB LYS 84 5.306 6.687 -8.508 681 HB3 LYS 84 2HB LYS 84 6.549 6.349 -9.698 682 HG2 LYS 84 1HG LYS 84 7.132 8.711 -9.837 683 HG3 LYS 84 2HG LYS 84 5.785 9.143 -8.779 684 HD2 LYS 84 1HD LYS 84 7.978 9.121 -7.586 685 HD3 LYS 84 2HD LYS 84 6.819 7.979 -6.899 686 HE2 LYS 84 1HE LYS 84 7.936 6.146 -8.197 687 HE3 LYS 84 2HE LYS 84 9.134 7.314 -8.755 688 HZ1 LYS 84 3HZ LYS 84 9.771 7.660 -6.457 689 HZ2 LYS 84 1HZ LYS 84 9.927 6.038 -6.901 690 HZ3 LYS 84 2HZ LYS 84 8.622 6.528 -5.951 691 H ALA 85 H ALA 85 6.036 5.758 -12.142 692 HA ALA 85 HA ALA 85 7.363 7.767 -13.697 693 HB1 ALA 85 3HB ALA 85 8.207 5.870 -15.034 694 HB2 ALA 85 1HB ALA 85 7.070 4.785 -14.222 695 HB3 ALA 85 2HB ALA 85 8.370 5.547 -13.306 696 H GLU 86 H GLU 86 4.451 5.809 -14.086 697 HA GLU 86 HA GLU 86 3.840 6.598 -16.771 698 HB2 GLU 86 1HB GLU 86 2.071 5.437 -14.573 699 HB3 GLU 86 2HB GLU 86 1.564 5.648 -16.249 700 HG2 GLU 86 1HG GLU 86 3.273 4.068 -17.002 701 HG3 GLU 86 2HG GLU 86 3.883 3.900 -15.357 702 H SER 87 H SER 87 2.973 7.822 -13.567 703 HA SER 87 HA SER 87 1.071 9.794 -14.372 704 HB2 SER 87 1HB SER 87 2.728 9.536 -11.830 705 HB3 SER 87 2HB SER 87 1.438 10.722 -12.044 706 HG SER 87 HG SER 87 0.987 7.960 -12.426 707 H ALA 88 H ALA 88 4.542 9.712 -14.428 708 HA ALA 88 HA ALA 88 5.135 12.486 -14.429 709 HB1 ALA 88 3HB ALA 88 6.657 10.217 -15.764 710 HB2 ALA 88 1HB ALA 88 6.866 10.754 -14.095 711 HB3 ALA 88 2HB ALA 88 7.290 11.831 -15.429 712 H LEU 89 H LEU 89 3.905 10.315 -16.905 713 HA LEU 89 HA LEU 89 4.331 12.011 -19.189 714 HB2 LEU 89 1HB LEU 89 2.500 9.617 -18.737 715 HB3 LEU 89 2HB LEU 89 2.529 10.499 -20.252 716 HG LEU 89 HG LEU 89 4.944 9.883 -20.539 717 HD11 LEU 89 1HD1 LEU 89 5.948 8.092 -19.204 718 HD12 LEU 89 2HD1 LEU 89 4.546 8.090 -18.130 719 HD13 LEU 89 3HD1 LEU 89 5.592 9.509 -18.213 720 HD21 LEU 89 3HD2 LEU 89 3.204 8.593 -21.667 721 HD22 LEU 89 1HD2 LEU 89 3.041 7.533 -20.263 722 HD23 LEU 89 2HD2 LEU 89 4.541 7.547 -21.198 723 H GLU 90 H GLU 90 1.908 11.822 -16.681 724 HA GLU 90 HA GLU 90 -0.193 13.176 -18.139 725 HB2 GLU 90 1HB GLU 90 -0.001 12.442 -15.184 726 HB3 GLU 90 2HB GLU 90 -1.447 13.047 -15.988 727 HG2 GLU 90 1HG GLU 90 -0.049 10.403 -16.510 728 HG3 GLU 90 2HG GLU 90 -1.607 10.638 -15.716 729 H282 PNS 101 2H28 PNS 142 -12.615 -2.051 -6.310 730 H281 PNS 101 3H28 PNS 142 -11.868 -1.825 -4.736 731 H303 PNS 101 2H51 PNS 142 -13.022 -4.380 -3.471 732 H302 PNS 101 3H51 PNS 142 -11.366 -3.815 -3.289 733 H301 PNS 101 1H51 PNS 142 -11.682 -5.456 -3.887 734 H313 PNS 101 2H52 PNS 142 -10.629 -3.519 -6.907 735 H312 PNS 101 3H52 PNS 142 -9.979 -3.319 -5.283 736 H311 PNS 101 1H52 PNS 142 -10.266 -4.949 -5.916 737 H32 PNS 101 H32 PNS 142 -14.000 -4.691 -5.800 738 H33 PNS 101 H33 PNS 142 -13.585 -4.765 -8.095 739 H36 PNS 101 H36 PNS 142 -13.726 -6.685 -4.737 740 H372 PNS 101 2H37 PNS 142 -11.973 -8.752 -5.951 741 H371 PNS 101 3H37 PNS 142 -13.652 -9.051 -5.491 742 H382 PNS 101 2H38 PNS 142 -12.066 -9.881 -3.784 743 H381 PNS 101 3H38 PNS 142 -13.111 -8.615 -3.146 744 H41 PNS 101 H41 PNS 142 -10.304 -7.961 -5.208 745 H422 PNS 101 2H42 PNS 142 -9.170 -5.900 -3.841 746 H421 PNS 101 3H42 PNS 142 -8.435 -7.334 -3.112 747 H431 PNS 101 2H43 PNS 142 -8.400 -6.644 -6.070 748 H432 PNS 101 3H43 PNS 142 -7.029 -6.515 -4.950 749 H44 PNS 101 H44 PNS 142 -6.996 -9.269 -4.368 Start of MODEL 11 1 H1 MET 1 1H MET 1 13.611 5.531 -7.028 2 H2 MET 1 2H MET 1 12.582 4.950 -5.817 3 H3 MET 1 3H MET 1 14.169 4.383 -5.920 4 HA MET 1 HA MET 1 15.056 6.477 -5.342 5 HB2 MET 1 1HB MET 1 13.362 7.868 -6.472 6 HB3 MET 1 2HB MET 1 12.155 7.406 -5.282 7 HG2 MET 1 1HG MET 1 13.268 8.649 -3.551 8 HG3 MET 1 2HG MET 1 14.682 8.924 -4.570 9 HE1 MET 1 3HE MET 1 14.700 10.621 -6.663 10 HE2 MET 1 1HE MET 1 13.252 11.443 -7.245 11 HE3 MET 1 2HE MET 1 13.387 9.690 -7.384 12 H ASP 2 H ASP 2 11.911 5.496 -3.989 13 HA ASP 2 HA ASP 2 12.893 5.578 -1.245 14 HB2 ASP 2 1HB ASP 2 10.158 4.931 -2.418 15 HB3 ASP 2 2HB ASP 2 10.507 4.979 -0.694 16 H GLY 3 H GLY 3 11.099 3.173 -3.206 17 HA2 GLY 3 1HA GLY 3 11.031 0.892 -3.203 18 HA3 GLY 3 2HA GLY 3 12.665 0.904 -2.558 19 H GLU 4 H GLU 4 12.978 0.787 -0.324 20 HA GLU 4 HA GLU 4 11.013 -0.728 1.110 21 HB2 GLU 4 1HB GLU 4 12.663 -0.773 2.934 22 HB3 GLU 4 2HB GLU 4 13.387 -1.192 1.387 23 HG2 GLU 4 1HG GLU 4 14.276 1.145 1.219 24 HG3 GLU 4 2HG GLU 4 13.658 1.459 2.844 25 H GLU 5 H GLU 5 11.905 2.597 0.961 26 HA GLU 5 HA GLU 5 10.775 3.480 3.407 27 HB2 GLU 5 1HB GLU 5 12.537 4.684 1.972 28 HB3 GLU 5 2HB GLU 5 11.222 5.155 0.903 29 HG2 GLU 5 1HG GLU 5 11.811 6.964 2.428 30 HG3 GLU 5 2HG GLU 5 10.166 6.403 2.714 31 H VAL 6 H VAL 6 9.463 2.877 0.167 32 HA VAL 6 HA VAL 6 6.886 4.083 0.470 33 HB VAL 6 HB VAL 6 7.602 1.605 -1.183 34 HG11 VAL 6 1HG1 VAL 6 5.188 1.780 -0.900 35 HG12 VAL 6 2HG1 VAL 6 5.609 2.182 -2.565 36 HG13 VAL 6 3HG1 VAL 6 5.210 3.466 -1.421 37 HG21 VAL 6 3HG2 VAL 6 7.615 4.513 -2.052 38 HG22 VAL 6 1HG2 VAL 6 7.814 3.127 -3.129 39 HG23 VAL 6 2HG2 VAL 6 9.016 3.451 -1.879 40 H LYS 7 H LYS 7 8.137 0.820 1.089 41 HA LYS 7 HA LYS 7 5.706 -0.437 1.716 42 HB2 LYS 7 1HB LYS 7 8.544 -1.148 2.543 43 HB3 LYS 7 2HB LYS 7 7.160 -2.221 2.733 44 HG2 LYS 7 1HG LYS 7 6.821 -2.151 0.257 45 HG3 LYS 7 2HG LYS 7 8.286 -1.178 0.110 46 HD2 LYS 7 1HD LYS 7 8.134 -4.016 1.202 47 HD3 LYS 7 2HD LYS 7 8.696 -3.557 -0.406 48 HE2 LYS 7 1HE LYS 7 10.530 -2.249 0.631 49 HE3 LYS 7 2HE LYS 7 9.999 -2.792 2.225 50 HZ1 LYS 7 3HZ LYS 7 11.843 -4.090 1.354 51 HZ2 LYS 7 1HZ LYS 7 10.904 -4.570 0.033 52 HZ3 LYS 7 2HZ LYS 7 10.472 -5.046 1.595 53 H GLU 8 H GLU 8 8.169 0.972 3.882 54 HA GLU 8 HA GLU 8 6.827 0.376 6.290 55 HB2 GLU 8 1HB GLU 8 9.196 0.736 6.356 56 HB3 GLU 8 2HB GLU 8 9.052 2.333 5.625 57 HG2 GLU 8 1HG GLU 8 8.133 3.274 7.578 58 HG3 GLU 8 2HG GLU 8 7.763 1.701 8.270 59 H LYS 9 H LYS 9 6.722 3.232 4.147 60 HA LYS 9 HA LYS 9 5.127 4.938 5.669 61 HB2 LYS 9 1HB LYS 9 5.173 4.430 2.675 62 HB3 LYS 9 2HB LYS 9 4.085 5.619 3.373 63 HG2 LYS 9 1HG LYS 9 6.021 6.887 4.230 64 HG3 LYS 9 2HG LYS 9 7.110 5.693 3.515 65 HD2 LYS 9 1HD LYS 9 6.120 6.216 1.256 66 HD3 LYS 9 2HD LYS 9 5.156 7.483 2.013 67 HE2 LYS 9 1HE LYS 9 7.075 8.506 0.973 68 HE3 LYS 9 2HE LYS 9 7.298 8.590 2.720 69 HZ1 LYS 9 3HZ LYS 9 8.580 6.714 0.833 70 HZ2 LYS 9 1HZ LYS 9 8.681 6.573 2.518 71 HZ3 LYS 9 2HZ LYS 9 9.316 7.935 1.738 72 H ILE 10 H ILE 10 4.074 2.475 3.335 73 HA ILE 10 HA ILE 10 1.306 2.935 3.689 74 HB ILE 10 HB ILE 10 2.723 0.533 2.457 75 HG12 ILE 10 1HG1 ILE 10 1.572 3.022 1.110 76 HG13 ILE 10 2HG1 ILE 10 3.283 2.766 1.422 77 HG21 ILE 10 1HG2 ILE 10 0.371 -0.012 3.000 78 HG22 ILE 10 2HG2 ILE 10 0.596 0.092 1.254 79 HG23 ILE 10 3HG2 ILE 10 -0.177 1.420 2.123 80 HD11 ILE 10 3HD1 ILE 10 2.744 2.321 -0.880 81 HD12 ILE 10 1HD1 ILE 10 1.546 1.117 -0.409 82 HD13 ILE 10 2HD1 ILE 10 3.259 0.836 -0.084 83 H ARG 11 H ARG 11 3.533 0.450 4.991 84 HA ARG 11 HA ARG 11 1.585 -1.196 6.200 85 HB2 ARG 11 1HB ARG 11 3.331 -2.437 7.153 86 HB3 ARG 11 2HB ARG 11 4.048 -1.757 5.717 87 HG2 ARG 11 1HG ARG 11 5.782 -1.504 7.186 88 HG3 ARG 11 2HG ARG 11 4.997 0.061 7.360 89 HD2 ARG 11 1HD ARG 11 4.544 -0.308 9.562 90 HD3 ARG 11 2HD ARG 11 3.925 -1.923 9.246 91 HE ARG 11 HE ARG 11 5.914 -2.805 9.874 92 HH11 ARG 11 1HH1 ARG 11 6.488 0.610 9.298 93 HH12 ARG 11 2HH1 ARG 11 8.100 0.565 9.932 94 HH21 ARG 11 1HH2 ARG 11 7.999 -2.859 10.703 95 HH22 ARG 11 2HH2 ARG 11 8.962 -1.412 10.739 96 H ARG 12 H ARG 12 3.226 1.701 7.228 97 HA ARG 12 HA ARG 12 2.584 1.582 9.967 98 HB2 ARG 12 1HB ARG 12 4.099 3.305 8.290 99 HB3 ARG 12 2HB ARG 12 2.846 4.343 8.939 100 HG2 ARG 12 1HG ARG 12 4.944 4.382 10.240 101 HG3 ARG 12 2HG ARG 12 3.552 3.873 11.203 102 HD2 ARG 12 1HD ARG 12 4.272 1.497 10.906 103 HD3 ARG 12 2HD ARG 12 5.673 2.069 9.996 104 HE ARG 12 HE ARG 12 6.639 2.876 11.953 105 HH11 ARG 12 1HH1 ARG 12 3.455 1.537 12.669 106 HH12 ARG 12 2HH1 ARG 12 3.738 1.483 14.377 107 HH21 ARG 12 1HH2 ARG 12 6.975 2.816 14.201 108 HH22 ARG 12 2HH2 ARG 12 5.727 2.205 15.245 109 H TYR 13 H TYR 13 1.066 3.204 7.197 110 HA TYR 13 HA TYR 13 -1.033 4.444 8.639 111 HB2 TYR 13 1HB TYR 13 -0.235 5.070 6.315 112 HB3 TYR 13 2HB TYR 13 -1.075 3.641 5.701 113 HD1 TYR 13 HD1 TYR 13 -1.821 6.536 7.993 114 HD2 TYR 13 HD2 TYR 13 -3.220 4.089 4.785 115 HE1 TYR 13 HE1 TYR 13 -3.865 7.863 7.886 116 HE2 TYR 13 HE2 TYR 13 -5.269 5.423 4.679 117 HH TYR 13 HH TYR 13 -6.618 6.850 6.241 118 H ILE 14 H ILE 14 -0.683 1.236 7.240 119 HA ILE 14 HA ILE 14 -3.387 0.381 7.437 120 HB ILE 14 HB ILE 14 -0.818 -1.263 7.541 121 HG12 ILE 14 1HG1 ILE 14 -2.636 -0.906 5.126 122 HG13 ILE 14 2HG1 ILE 14 -1.299 0.193 5.443 123 HG21 ILE 14 1HG2 ILE 14 -2.698 -2.573 8.438 124 HG22 ILE 14 2HG2 ILE 14 -2.195 -3.211 6.874 125 HG23 ILE 14 3HG2 ILE 14 -3.654 -2.224 6.996 126 HD11 ILE 14 3HD1 ILE 14 0.262 -1.671 5.342 127 HD12 ILE 14 1HD1 ILE 14 -0.661 -1.487 3.848 128 HD13 ILE 14 2HD1 ILE 14 -1.076 -2.774 4.983 129 H MET 15 H MET 15 -0.680 0.446 9.735 130 HA MET 15 HA MET 15 -1.988 -0.992 11.841 131 HB2 MET 15 1HB MET 15 0.389 0.912 11.952 132 HB3 MET 15 2HB MET 15 -0.085 -0.204 13.233 133 HG2 MET 15 1HG MET 15 0.416 -2.105 11.823 134 HG3 MET 15 2HG MET 15 0.735 -1.052 10.452 135 HE1 MET 15 3HE MET 15 3.408 -1.568 14.130 136 HE2 MET 15 1HE MET 15 1.819 -2.295 13.880 137 HE3 MET 15 2HE MET 15 1.953 -0.567 14.249 138 H GLU 16 H GLU 16 -1.707 2.401 10.952 139 HA GLU 16 HA GLU 16 -2.668 3.463 13.454 140 HB2 GLU 16 1HB GLU 16 -2.348 4.914 10.794 141 HB3 GLU 16 2HB GLU 16 -2.529 5.662 12.376 142 HG2 GLU 16 1HG GLU 16 -0.146 4.165 11.287 143 HG3 GLU 16 2HG GLU 16 -0.245 5.856 11.753 144 H ASP 17 H ASP 17 -3.948 3.496 10.130 145 HA ASP 17 HA ASP 17 -6.519 4.524 11.035 146 HB2 ASP 17 1HB ASP 17 -5.494 5.670 9.182 147 HB3 ASP 17 2HB ASP 17 -5.257 4.169 8.299 148 H LEU 18 H LEU 18 -5.392 1.796 8.974 149 HA LEU 18 HA LEU 18 -8.001 0.849 8.371 150 HB2 LEU 18 1HB LEU 18 -5.264 -0.419 8.015 151 HB3 LEU 18 2HB LEU 18 -6.736 -1.238 7.532 152 HG LEU 18 HG LEU 18 -7.221 0.608 5.911 153 HD11 LEU 18 1HD1 LEU 18 -5.490 2.233 5.280 154 HD12 LEU 18 2HD1 LEU 18 -4.477 1.683 6.617 155 HD13 LEU 18 3HD1 LEU 18 -6.021 2.468 6.946 156 HD21 LEU 18 3HD2 LEU 18 -4.540 -0.753 5.528 157 HD22 LEU 18 1HD2 LEU 18 -5.534 -0.047 4.250 158 HD23 LEU 18 2HD2 LEU 18 -6.124 -1.437 5.156 159 H ILE 19 H ILE 19 -5.479 -0.638 10.425 160 HA ILE 19 HA ILE 19 -7.432 -2.538 11.544 161 HB ILE 19 HB ILE 19 -4.418 -2.556 12.020 162 HG12 ILE 19 1HG1 ILE 19 -5.864 -4.030 9.773 163 HG13 ILE 19 2HG1 ILE 19 -4.801 -2.641 9.557 164 HG21 ILE 19 1HG2 ILE 19 -5.766 -3.967 13.551 165 HG22 ILE 19 2HG2 ILE 19 -4.725 -4.949 12.521 166 HG23 ILE 19 3HG2 ILE 19 -6.449 -4.821 12.163 167 HD11 ILE 19 3HD1 ILE 19 -3.639 -4.681 9.023 168 HD12 ILE 19 1HD1 ILE 19 -3.997 -5.353 10.613 169 HD13 ILE 19 2HD1 ILE 19 -2.926 -3.957 10.463 170 H GLY 20 H GLY 20 -7.409 -2.888 13.876 171 HA2 GLY 20 1HA GLY 20 -6.597 -0.546 15.511 172 HA3 GLY 20 2HA GLY 20 -8.024 -1.523 15.822 173 HA PRO 21 HA PRO 21 -5.629 -3.748 18.759 174 HB2 PRO 21 1HB PRO 21 -7.031 -6.078 19.053 175 HB3 PRO 21 2HB PRO 21 -7.719 -4.507 19.516 176 HG2 PRO 21 1HG PRO 21 -8.190 -6.094 17.006 177 HG3 PRO 21 2HG PRO 21 -9.367 -5.253 18.040 178 HD2 PRO 21 1HD PRO 21 -8.397 -4.160 15.715 179 HD3 PRO 21 2HD PRO 21 -8.919 -3.172 17.099 180 H SER 22 H SER 22 -6.038 -5.259 15.634 181 HA SER 22 HA SER 22 -4.153 -7.450 16.178 182 HB2 SER 22 1HB SER 22 -6.382 -7.862 15.058 183 HB3 SER 22 2HB SER 22 -5.832 -6.894 13.688 184 HG SER 22 HG SER 22 -4.023 -8.463 13.607 185 H ALA 23 H ALA 23 -3.191 -4.649 16.010 186 HA ALA 23 HA ALA 23 -1.274 -4.891 13.782 187 HB1 ALA 23 3HB ALA 23 -2.799 -2.361 14.519 188 HB2 ALA 23 1HB ALA 23 -2.939 -3.274 13.015 189 HB3 ALA 23 2HB ALA 23 -1.431 -2.434 13.399 190 H LYS 24 H LYS 24 -0.207 -5.825 15.689 191 HA LYS 24 HA LYS 24 0.954 -4.060 17.618 192 HB2 LYS 24 1HB LYS 24 1.943 -6.794 16.707 193 HB3 LYS 24 2HB LYS 24 2.448 -5.947 18.167 194 HG2 LYS 24 1HG LYS 24 -0.280 -7.104 17.590 195 HG3 LYS 24 2HG LYS 24 0.930 -7.726 18.709 196 HD2 LYS 24 1HD LYS 24 0.697 -5.690 20.104 197 HD3 LYS 24 2HD LYS 24 -0.510 -5.051 18.983 198 HE2 LYS 24 1HE LYS 24 -1.552 -6.038 20.997 199 HE3 LYS 24 2HE LYS 24 -2.027 -6.908 19.537 200 HZ1 LYS 24 3HZ LYS 24 -1.461 -8.392 21.382 201 HZ2 LYS 24 1HZ LYS 24 0.110 -7.774 21.416 202 HZ3 LYS 24 2HZ LYS 24 -0.436 -8.624 20.063 203 H GLU 25 H GLU 25 3.412 -3.968 17.726 204 HA GLU 25 HA GLU 25 4.177 -2.219 15.667 205 HB2 GLU 25 1HB GLU 25 4.884 -2.301 18.182 206 HB3 GLU 25 2HB GLU 25 6.124 -3.434 17.649 207 HG2 GLU 25 1HG GLU 25 6.936 -1.695 16.040 208 HG3 GLU 25 2HG GLU 25 5.754 -0.580 16.724 209 H ASP 26 H ASP 26 4.421 -5.666 15.821 210 HA ASP 26 HA ASP 26 6.228 -5.628 13.457 211 HB2 ASP 26 1HB ASP 26 6.332 -7.547 15.824 212 HB3 ASP 26 2HB ASP 26 7.076 -7.936 14.275 213 H GLU 27 H GLU 27 3.158 -5.987 14.072 214 HA GLU 27 HA GLU 27 2.589 -8.566 12.938 215 HB2 GLU 27 1HB GLU 27 0.893 -6.113 13.527 216 HB3 GLU 27 2HB GLU 27 0.230 -7.417 12.540 217 HG2 GLU 27 1HG GLU 27 1.238 -7.654 15.381 218 HG3 GLU 27 2HG GLU 27 -0.448 -7.628 14.875 219 H LEU 28 H LEU 28 2.680 -5.250 11.678 220 HA LEU 28 HA LEU 28 2.289 -6.168 8.944 221 HB2 LEU 28 1HB LEU 28 2.433 -3.451 10.259 222 HB3 LEU 28 2HB LEU 28 2.629 -3.581 8.526 223 HG LEU 28 HG LEU 28 0.319 -2.996 9.067 224 HD11 LEU 28 1HD1 LEU 28 -0.857 -4.721 7.806 225 HD12 LEU 28 2HD1 LEU 28 0.494 -5.837 8.023 226 HD13 LEU 28 3HD1 LEU 28 0.707 -4.361 7.078 227 HD21 LEU 28 3HD2 LEU 28 0.167 -5.592 10.637 228 HD22 LEU 28 1HD2 LEU 28 -1.181 -4.503 10.299 229 HD23 LEU 28 2HD2 LEU 28 0.150 -3.963 11.316 230 H ASP 29 H ASP 29 3.930 -7.061 8.072 231 HA ASP 29 HA ASP 29 6.614 -5.812 8.055 232 HB2 ASP 29 1HB ASP 29 6.525 -8.138 9.054 233 HB3 ASP 29 2HB ASP 29 5.849 -8.741 7.554 234 H ASP 30 H ASP 30 7.708 -6.449 5.858 235 HA ASP 30 HA ASP 30 6.079 -5.202 3.829 236 HB2 ASP 30 1HB ASP 30 8.120 -5.038 2.521 237 HB3 ASP 30 2HB ASP 30 8.410 -4.492 4.165 238 H GLN 31 H GLN 31 6.889 -8.420 4.662 239 HA GLN 31 HA GLN 31 5.758 -9.425 2.108 240 HB2 GLN 31 1HB GLN 31 7.791 -10.763 3.935 241 HB3 GLN 31 2HB GLN 31 6.934 -11.601 2.640 242 HG2 GLN 31 1HG GLN 31 7.873 -9.855 1.045 243 HG3 GLN 31 2HG GLN 31 8.926 -9.342 2.368 244 HE21 GLN 31 1HE2 GLN 31 9.506 -10.591 -0.247 245 HE22 GLN 31 2HE2 GLN 31 10.473 -11.979 0.104 246 H THR 32 H THR 32 4.727 -8.721 5.046 247 HA THR 32 HA THR 32 3.357 -10.945 6.036 248 HB THR 32 HB THR 32 2.817 -7.970 6.112 249 HG1 THR 32 HG1 THR 32 2.999 -9.318 8.473 250 HG21 THR 32 3HG2 THR 32 0.974 -8.318 7.738 251 HG22 THR 32 1HG2 THR 32 1.027 -10.058 7.422 252 HG23 THR 32 2HG2 THR 32 0.548 -8.939 6.145 253 HA PRO 33 HA PRO 33 0.515 -11.752 2.590 254 HB2 PRO 33 1HB PRO 33 -1.148 -13.541 3.848 255 HB3 PRO 33 2HB PRO 33 0.500 -13.971 3.337 256 HG2 PRO 33 1HG PRO 33 -0.475 -13.181 6.068 257 HG3 PRO 33 2HG PRO 33 0.631 -14.500 5.613 258 HD2 PRO 33 1HD PRO 33 1.535 -12.123 6.575 259 HD3 PRO 33 2HD PRO 33 2.460 -13.070 5.388 260 H LEU 34 H LEU 34 -0.199 -9.573 2.626 261 HA LEU 34 HA LEU 34 -1.898 -8.344 4.482 262 HB2 LEU 34 1HB LEU 34 -1.554 -7.676 1.536 263 HB3 LEU 34 2HB LEU 34 -2.150 -6.585 2.775 264 HG LEU 34 HG LEU 34 0.685 -7.697 2.638 265 HD11 LEU 34 1HD1 LEU 34 -0.301 -4.914 1.960 266 HD12 LEU 34 2HD1 LEU 34 0.287 -6.132 0.823 267 HD13 LEU 34 3HD1 LEU 34 1.385 -5.442 2.013 268 HD21 LEU 34 3HD2 LEU 34 -0.482 -5.637 4.543 269 HD22 LEU 34 1HD2 LEU 34 1.225 -6.086 4.426 270 HD23 LEU 34 2HD2 LEU 34 0.036 -7.273 4.954 271 H LEU 35 H LEU 35 -2.619 -9.953 1.410 272 HA LEU 35 HA LEU 35 -5.401 -9.428 1.330 273 HB2 LEU 35 1HB LEU 35 -3.828 -11.654 0.011 274 HB3 LEU 35 2HB LEU 35 -5.472 -11.186 -0.413 275 HG LEU 35 HG LEU 35 -3.012 -9.419 -0.735 276 HD11 LEU 35 1HD1 LEU 35 -4.591 -10.905 -2.846 277 HD12 LEU 35 2HD1 LEU 35 -2.964 -11.300 -2.280 278 HD13 LEU 35 3HD1 LEU 35 -3.254 -9.783 -3.128 279 HD21 LEU 35 3HD2 LEU 35 -5.023 -8.066 -0.331 280 HD22 LEU 35 1HD2 LEU 35 -5.883 -8.915 -1.620 281 HD23 LEU 35 2HD2 LEU 35 -4.491 -7.898 -2.001 282 H GLU 36 H GLU 36 -3.477 -12.099 2.639 283 HA GLU 36 HA GLU 36 -5.647 -13.895 3.119 284 HB2 GLU 36 1HB GLU 36 -2.827 -13.876 4.272 285 HB3 GLU 36 2HB GLU 36 -3.965 -15.214 4.408 286 HG2 GLU 36 1HG GLU 36 -2.797 -14.139 1.819 287 HG3 GLU 36 2HG GLU 36 -2.299 -15.617 2.642 288 H TRP 37 H TRP 37 -4.091 -11.377 4.974 289 HA TRP 37 HA TRP 37 -5.429 -11.907 7.470 290 HB2 TRP 37 1HB TRP 37 -3.883 -9.534 6.356 291 HB3 TRP 37 2HB TRP 37 -4.669 -9.466 7.929 292 HD1 TRP 37 HD1 TRP 37 -2.877 -12.721 6.917 293 HE1 TRP 37 HE1 TRP 37 -0.819 -13.005 8.429 294 HE3 TRP 37 HE3 TRP 37 -2.920 -8.143 9.202 295 HZ2 TRP 37 HZ2 TRP 37 0.597 -11.500 10.327 296 HZ3 TRP 37 HZ3 TRP 37 -1.163 -7.640 10.855 297 HH2 TRP 37 HH2 TRP 37 0.556 -9.294 11.399 298 H GLY 38 H GLY 38 -6.260 -10.301 4.495 299 HA2 GLY 38 1HA GLY 38 -8.289 -9.525 3.744 300 HA3 GLY 38 2HA GLY 38 -8.995 -9.864 5.317 301 H ILE 39 H ILE 39 -6.178 -8.051 5.561 302 HA ILE 39 HA ILE 39 -7.534 -5.731 6.571 303 HB ILE 39 HB ILE 39 -5.274 -4.868 7.054 304 HG12 ILE 39 1HG1 ILE 39 -4.247 -7.311 5.514 305 HG13 ILE 39 2HG1 ILE 39 -4.090 -5.639 4.999 306 HG21 ILE 39 1HG2 ILE 39 -6.281 -6.442 8.642 307 HG22 ILE 39 2HG2 ILE 39 -4.538 -6.696 8.582 308 HG23 ILE 39 3HG2 ILE 39 -5.617 -7.816 7.752 309 HD11 ILE 39 3HD1 ILE 39 -2.016 -6.484 5.881 310 HD12 ILE 39 1HD1 ILE 39 -2.789 -6.877 7.414 311 HD13 ILE 39 2HD1 ILE 39 -2.632 -5.192 6.909 312 H LEU 40 H LEU 40 -6.446 -6.678 3.462 313 HA LEU 40 HA LEU 40 -6.873 -3.945 2.405 314 HB2 LEU 40 1HB LEU 40 -5.699 -6.353 0.944 315 HB3 LEU 40 2HB LEU 40 -5.891 -4.732 0.294 316 HG LEU 40 HG LEU 40 -3.909 -5.671 2.395 317 HD11 LEU 40 1HD1 LEU 40 -2.234 -4.824 0.816 318 HD12 LEU 40 2HD1 LEU 40 -3.511 -4.359 -0.312 319 HD13 LEU 40 3HD1 LEU 40 -3.251 -6.063 0.084 320 HD21 LEU 40 3HD2 LEU 40 -4.492 -2.780 1.635 321 HD22 LEU 40 1HD2 LEU 40 -3.128 -3.332 2.618 322 HD23 LEU 40 2HD2 LEU 40 -4.773 -3.536 3.208 323 H ASN 41 H ASN 41 -9.017 -3.821 2.293 324 HA ASN 41 HA ASN 41 -10.520 -5.672 0.541 325 HB2 ASN 41 1HB ASN 41 -11.157 -6.130 2.902 326 HB3 ASN 41 2HB ASN 41 -11.486 -4.422 3.172 327 HD21 ASN 41 1HD2 ASN 41 -13.640 -4.614 3.655 328 HD22 ASN 41 2HD2 ASN 41 -14.845 -5.201 2.561 329 H SER 42 H SER 42 -12.291 -4.624 -0.552 330 HA SER 42 HA SER 42 -11.789 -2.255 -1.854 331 HB2 SER 42 2HB SER 42 -13.344 -3.930 -2.710 332 HB3 SER 42 1HB SER 42 -14.432 -3.687 -1.350 333 H MET 43 H MET 43 -13.361 -2.646 1.255 334 HA MET 43 HA MET 43 -14.548 -0.056 1.405 335 HB2 MET 43 1HB MET 43 -13.780 -1.972 3.649 336 HB3 MET 43 2HB MET 43 -14.809 -0.553 3.824 337 HG2 MET 43 1HG MET 43 -15.453 -2.985 2.128 338 HG3 MET 43 2HG MET 43 -16.122 -2.638 3.719 339 HE1 MET 43 3HE MET 43 -17.565 -0.860 -0.281 340 HE2 MET 43 1HE MET 43 -16.668 -2.360 -0.045 341 HE3 MET 43 2HE MET 43 -15.835 -0.805 0.045 342 H ASN 44 H ASN 44 -11.559 -1.404 2.876 343 HA ASN 44 HA ASN 44 -10.830 1.193 3.966 344 HB2 ASN 44 1HB ASN 44 -8.938 0.007 5.035 345 HB3 ASN 44 2HB ASN 44 -10.473 -0.800 5.349 346 HD21 ASN 44 1HD2 ASN 44 -7.499 -0.957 3.456 347 HD22 ASN 44 2HD2 ASN 44 -7.567 -2.657 3.179 348 H ILE 45 H ILE 45 -10.233 -0.409 1.045 349 HA ILE 45 HA ILE 45 -7.513 0.025 0.539 350 HB ILE 45 HB ILE 45 -9.151 -1.474 -0.749 351 HG12 ILE 45 1HG1 ILE 45 -7.939 -1.056 -3.022 352 HG13 ILE 45 2HG1 ILE 45 -7.097 0.242 -2.185 353 HG21 ILE 45 1HG2 ILE 45 -9.785 1.059 -2.299 354 HG22 ILE 45 2HG2 ILE 45 -10.893 0.205 -1.226 355 HG23 ILE 45 3HG2 ILE 45 -10.323 -0.573 -2.704 356 HD11 ILE 45 3HD1 ILE 45 -5.775 -1.778 -2.250 357 HD12 ILE 45 1HD1 ILE 45 -7.060 -2.684 -1.448 358 HD13 ILE 45 2HD1 ILE 45 -6.204 -1.394 -0.583 359 H VAL 46 H VAL 46 -10.232 2.197 0.291 360 HA VAL 46 HA VAL 46 -9.204 4.052 -1.587 361 HB VAL 46 HB VAL 46 -11.060 5.551 -0.838 362 HG11 VAL 46 1HG1 VAL 46 -11.898 2.659 -1.324 363 HG12 VAL 46 2HG1 VAL 46 -11.505 3.856 -2.561 364 HG13 VAL 46 3HG1 VAL 46 -12.930 4.077 -1.545 365 HG21 VAL 46 3HG2 VAL 46 -12.698 4.783 0.871 366 HG22 VAL 46 1HG2 VAL 46 -11.100 5.029 1.580 367 HG23 VAL 46 2HG2 VAL 46 -11.671 3.395 1.239 368 H LYS 47 H LYS 47 -8.979 3.850 1.963 369 HA LYS 47 HA LYS 47 -7.854 6.439 2.349 370 HB2 LYS 47 1HB LYS 47 -7.815 3.998 4.152 371 HB3 LYS 47 2HB LYS 47 -7.043 5.515 4.591 372 HG2 LYS 47 1HG LYS 47 -9.073 5.800 5.651 373 HG3 LYS 47 2HG LYS 47 -9.439 6.543 4.093 374 HD2 LYS 47 1HD LYS 47 -11.293 5.135 4.641 375 HD3 LYS 47 2HD LYS 47 -10.404 4.310 3.362 376 HE2 LYS 47 1HE LYS 47 -11.055 2.698 5.067 377 HE3 LYS 47 2HE LYS 47 -9.303 2.886 5.089 378 HZ1 LYS 47 3HZ LYS 47 -9.546 4.372 6.984 379 HZ2 LYS 47 1HZ LYS 47 -10.183 2.844 7.305 380 HZ3 LYS 47 2HZ LYS 47 -11.220 4.137 6.979 381 H LEU 48 H LEU 48 -6.507 3.324 1.445 382 HA LEU 48 HA LEU 48 -3.768 4.105 1.794 383 HB2 LEU 48 1HB LEU 48 -5.021 1.833 0.213 384 HB3 LEU 48 2HB LEU 48 -3.286 2.107 0.285 385 HG LEU 48 HG LEU 48 -5.096 1.423 2.636 386 HD11 LEU 48 1HD1 LEU 48 -2.933 -0.214 1.290 387 HD12 LEU 48 2HD1 LEU 48 -4.674 -0.478 1.160 388 HD13 LEU 48 3HD1 LEU 48 -3.868 -0.681 2.713 389 HD21 LEU 48 3HD2 LEU 48 -3.313 2.949 3.382 390 HD22 LEU 48 1HD2 LEU 48 -2.089 1.913 2.641 391 HD23 LEU 48 2HD2 LEU 48 -3.042 1.325 4.007 392 H MET 49 H MET 49 -6.011 4.046 -1.011 393 HA MET 49 HA MET 49 -4.308 4.832 -3.057 394 HB2 MET 49 1HB MET 49 -7.184 5.730 -2.616 395 HB3 MET 49 2HB MET 49 -6.307 5.900 -4.134 396 HG2 MET 49 1HG MET 49 -6.151 3.466 -4.325 397 HG3 MET 49 2HG MET 49 -7.014 3.291 -2.789 398 HE1 MET 49 3HE MET 49 -9.824 2.193 -5.192 399 HE2 MET 49 1HE MET 49 -9.030 1.905 -3.644 400 HE3 MET 49 2HE MET 49 -8.117 1.755 -5.145 401 H VAL 50 H VAL 50 -6.120 6.905 -0.820 402 HA VAL 50 HA VAL 50 -5.111 9.385 -1.839 403 HB VAL 50 HB VAL 50 -6.198 10.504 0.024 404 HG11 VAL 50 1HG1 VAL 50 -8.534 9.751 -0.312 405 HG12 VAL 50 2HG1 VAL 50 -7.951 8.252 -1.037 406 HG13 VAL 50 3HG1 VAL 50 -7.644 9.796 -1.837 407 HG21 VAL 50 3HG2 VAL 50 -7.314 9.294 1.879 408 HG22 VAL 50 1HG2 VAL 50 -5.577 8.975 1.871 409 HG23 VAL 50 2HG2 VAL 50 -6.698 7.762 1.255 410 H TYR 51 H TYR 51 -4.031 7.169 0.690 411 HA TYR 51 HA TYR 51 -2.218 8.887 2.025 412 HB2 TYR 51 1HB TYR 51 -2.950 6.788 3.058 413 HB3 TYR 51 2HB TYR 51 -2.199 5.851 1.768 414 HD1 TYR 51 HD1 TYR 51 -1.443 8.185 4.593 415 HD2 TYR 51 HD2 TYR 51 0.150 5.255 1.901 416 HE1 TYR 51 HE1 TYR 51 0.685 8.208 5.819 417 HE2 TYR 51 HE2 TYR 51 2.253 5.270 3.141 418 HH TYR 51 HH TYR 51 2.618 6.524 6.143 419 H ILE 52 H ILE 52 -1.710 6.483 -0.578 420 HA ILE 52 HA ILE 52 1.020 7.123 -1.096 421 HB ILE 52 HB ILE 52 -1.066 5.663 -2.795 422 HG12 ILE 52 1HG1 ILE 52 0.464 3.658 -2.388 423 HG13 ILE 52 2HG1 ILE 52 1.405 4.658 -1.296 424 HG21 ILE 52 1HG2 ILE 52 1.861 6.084 -3.532 425 HG22 ILE 52 2HG2 ILE 52 0.455 6.729 -4.388 426 HG23 ILE 52 3HG2 ILE 52 0.744 4.990 -4.364 427 HD11 ILE 52 3HD1 ILE 52 -0.076 3.130 -0.138 428 HD12 ILE 52 1HD1 ILE 52 -1.477 3.863 -0.925 429 HD13 ILE 52 2HD1 ILE 52 -0.500 4.809 0.205 430 H ARG 53 H ARG 53 -2.035 8.509 -2.122 431 HA ARG 53 HA ARG 53 -1.069 10.106 -4.274 432 HB2 ARG 53 1HB ARG 53 -3.441 9.509 -4.021 433 HB3 ARG 53 2HB ARG 53 -3.539 10.423 -2.524 434 HG2 ARG 53 1HG ARG 53 -4.577 11.593 -4.436 435 HG3 ARG 53 2HG ARG 53 -3.248 12.515 -3.725 436 HD2 ARG 53 1HD ARG 53 -1.767 11.894 -5.531 437 HD3 ARG 53 2HD ARG 53 -2.964 10.771 -6.188 438 HE ARG 53 HE ARG 53 -4.230 13.199 -6.152 439 HH11 ARG 53 1HH1 ARG 53 -1.270 12.026 -7.642 440 HH12 ARG 53 2HH1 ARG 53 -1.381 13.118 -8.977 441 HH21 ARG 53 1HH2 ARG 53 -4.381 14.583 -7.905 442 HH22 ARG 53 2HH2 ARG 53 -3.151 14.574 -9.130 443 H ASP 54 H ASP 54 -0.958 10.554 -0.792 444 HA ASP 54 HA ASP 54 -0.056 13.339 -1.092 445 HB2 ASP 54 1HB ASP 54 -0.586 11.618 1.362 446 HB3 ASP 54 2HB ASP 54 0.119 13.230 1.462 447 H GLU 55 H GLU 55 1.198 10.341 0.392 448 HA GLU 55 HA GLU 55 3.765 11.465 0.948 449 HB2 GLU 55 1HB GLU 55 2.712 8.616 1.132 450 HB3 GLU 55 2HB GLU 55 4.309 9.107 1.693 451 HG2 GLU 55 1HG GLU 55 1.653 10.115 2.756 452 HG3 GLU 55 2HG GLU 55 2.737 8.977 3.554 453 H MET 56 H MET 56 2.523 9.583 -1.719 454 HA MET 56 HA MET 56 5.198 9.592 -2.986 455 HB2 MET 56 1HB MET 56 2.989 7.537 -3.093 456 HB3 MET 56 2HB MET 56 4.081 7.689 -4.457 457 HG2 MET 56 1HG MET 56 5.691 6.538 -3.403 458 HG3 MET 56 2HG MET 56 5.556 7.503 -1.940 459 HE1 MET 56 3HE MET 56 2.971 5.586 0.171 460 HE2 MET 56 1HE MET 56 2.758 7.054 -0.793 461 HE3 MET 56 2HE MET 56 4.230 6.821 0.145 462 H GLY 57 H GLY 57 2.149 11.027 -3.074 463 HA2 GLY 57 1HA GLY 57 1.230 12.566 -4.506 464 HA3 GLY 57 2HA GLY 57 2.690 12.493 -5.469 465 H VAL 58 H VAL 58 1.076 9.469 -4.975 466 HA VAL 58 HA VAL 58 0.344 9.429 -7.853 467 HB VAL 58 HB VAL 58 1.080 7.059 -6.086 468 HG11 VAL 58 1HG1 VAL 58 -0.377 6.428 -7.963 469 HG12 VAL 58 2HG1 VAL 58 1.250 5.788 -8.196 470 HG13 VAL 58 3HG1 VAL 58 0.726 7.208 -9.102 471 HG21 VAL 58 3HG2 VAL 58 2.831 8.506 -8.092 472 HG22 VAL 58 1HG2 VAL 58 3.243 7.001 -7.267 473 HG23 VAL 58 2HG2 VAL 58 3.038 8.485 -6.339 474 H SER 59 H SER 59 -1.806 9.432 -8.164 475 HA SER 59 HA SER 59 -3.707 8.260 -6.322 476 HB2 SER 59 1HB SER 59 -4.315 10.243 -7.677 477 HB3 SER 59 2HB SER 59 -4.080 9.321 -9.159 478 HG SER 59 HG SER 59 -6.250 9.324 -8.648 479 H ILE 60 H ILE 60 -3.924 6.110 -6.239 480 HA ILE 60 HA ILE 60 -2.973 4.347 -8.338 481 HB ILE 60 HB ILE 60 -4.445 3.602 -5.765 482 HG12 ILE 60 1HG1 ILE 60 -1.426 3.659 -6.259 483 HG13 ILE 60 2HG1 ILE 60 -2.305 4.838 -5.291 484 HG21 ILE 60 1HG2 ILE 60 -2.743 1.876 -7.621 485 HG22 ILE 60 2HG2 ILE 60 -4.502 1.818 -7.494 486 HG23 ILE 60 3HG2 ILE 60 -3.508 1.340 -6.118 487 HD11 ILE 60 3HD1 ILE 60 -1.998 1.891 -4.672 488 HD12 ILE 60 1HD1 ILE 60 -2.921 3.047 -3.703 489 HD13 ILE 60 2HD1 ILE 60 -1.174 3.229 -3.873 490 HA PRO 61 HA PRO 61 -7.147 4.547 -10.257 491 HB2 PRO 61 1HB PRO 61 -6.583 2.867 -12.382 492 HB3 PRO 61 2HB PRO 61 -6.108 4.574 -12.348 493 HG2 PRO 61 1HG PRO 61 -4.433 2.158 -11.736 494 HG3 PRO 61 2HG PRO 61 -4.017 3.603 -12.689 495 HD2 PRO 61 1HD PRO 61 -3.198 3.313 -10.119 496 HD3 PRO 61 2HD PRO 61 -3.603 4.906 -10.796 497 H SER 62 H SER 62 -8.935 3.124 -10.174 498 HA SER 62 HA SER 62 -8.780 1.057 -8.215 499 HB2 SER 62 1HB SER 62 -11.237 0.762 -8.731 500 HB3 SER 62 2HB SER 62 -10.782 2.433 -8.403 501 HG SER 62 HG SER 62 -12.169 1.920 -10.328 502 H THR 63 H THR 63 -8.725 0.983 -11.711 503 HA THR 63 HA THR 63 -9.141 -1.759 -12.197 504 HB THR 63 HB THR 63 -9.180 -0.093 -14.014 505 HG1 THR 63 HG1 THR 63 -7.995 -2.444 -14.155 506 HG21 THR 63 3HG2 THR 63 -7.115 0.899 -14.940 507 HG22 THR 63 1HG2 THR 63 -6.172 0.183 -13.627 508 HG23 THR 63 2HG2 THR 63 -7.372 1.430 -13.277 509 H HIS 64 H HIS 64 -6.440 -0.056 -10.841 510 HA HIS 64 HA HIS 64 -4.413 -2.018 -11.445 511 HB2 HIS 64 1HB HIS 64 -3.756 0.327 -11.255 512 HB3 HIS 64 2HB HIS 64 -4.387 0.423 -9.618 513 HD1 HIS 64 HD1 HIS 64 -2.948 -0.440 -7.752 514 HD2 HIS 64 HD2 HIS 64 -1.337 -1.156 -11.508 515 HE1 HIS 64 HE1 HIS 64 -0.656 -1.320 -7.334 516 HE2 HIS 64 HE2 HIS 64 0.269 -1.823 -9.631 517 H ILE 65 H ILE 65 -6.736 -1.534 -8.841 518 HA ILE 65 HA ILE 65 -5.151 -2.924 -6.848 519 HB ILE 65 HB ILE 65 -8.108 -2.181 -6.638 520 HG12 ILE 65 1HG1 ILE 65 -7.227 -0.476 -4.922 521 HG13 ILE 65 2HG1 ILE 65 -5.619 -0.826 -5.506 522 HG21 ILE 65 1HG2 ILE 65 -7.841 -2.706 -4.206 523 HG22 ILE 65 2HG2 ILE 65 -6.197 -3.277 -4.513 524 HG23 ILE 65 3HG2 ILE 65 -7.576 -4.124 -5.220 525 HD11 ILE 65 3HD1 ILE 65 -6.451 1.212 -6.391 526 HD12 ILE 65 1HD1 ILE 65 -7.837 0.372 -7.079 527 HD13 ILE 65 2HD1 ILE 65 -6.213 0.027 -7.676 528 H THR 66 H THR 66 -4.658 -4.845 -7.641 529 HA THR 66 HA THR 66 -6.774 -6.902 -7.726 530 HB THR 66 HB THR 66 -5.435 -8.129 -9.451 531 HG1 THR 66 HG1 THR 66 -3.947 -5.757 -9.852 532 HG21 THR 66 3HG2 THR 66 -6.151 -5.318 -10.373 533 HG22 THR 66 1HG2 THR 66 -7.277 -6.676 -10.268 534 HG23 THR 66 2HG2 THR 66 -5.939 -6.724 -11.421 535 H GLY 67 H GLY 67 -5.878 -9.047 -7.159 536 HA2 GLY 67 1HA GLY 67 -4.369 -8.971 -4.753 537 HA3 GLY 67 2HA GLY 67 -4.897 -10.412 -5.611 538 H LYS 68 H LYS 68 -3.356 -9.112 -8.005 539 HA LYS 68 HA LYS 68 -0.882 -10.514 -7.682 540 HB2 LYS 68 1HB LYS 68 -1.656 -8.455 -9.804 541 HB3 LYS 68 2HB LYS 68 -0.364 -9.649 -9.921 542 HG2 LYS 68 1HG LYS 68 -2.055 -11.471 -9.903 543 HG3 LYS 68 2HG LYS 68 -3.341 -10.264 -9.802 544 HD2 LYS 68 1HD LYS 68 -1.379 -10.608 -12.102 545 HD3 LYS 68 2HD LYS 68 -3.082 -11.071 -12.110 546 HE2 LYS 68 1HE LYS 68 -3.739 -8.707 -11.879 547 HE3 LYS 68 2HE LYS 68 -2.041 -8.228 -11.816 548 HZ1 LYS 68 3HZ LYS 68 -3.421 -9.500 -14.100 549 HZ2 LYS 68 1HZ LYS 68 -1.779 -9.117 -14.056 550 HZ3 LYS 68 2HZ LYS 68 -2.939 -7.893 -13.987 551 H TYR 69 H TYR 69 -1.787 -7.060 -7.906 552 HA TYR 69 HA TYR 69 0.943 -6.159 -7.445 553 HB2 TYR 69 1HB TYR 69 -1.650 -4.593 -7.855 554 HB3 TYR 69 2HB TYR 69 -0.041 -3.873 -7.768 555 HD1 TYR 69 HD1 TYR 69 1.741 -4.987 -9.471 556 HD2 TYR 69 HD2 TYR 69 -2.497 -4.999 -10.020 557 HE1 TYR 69 HE1 TYR 69 2.049 -5.355 -11.881 558 HE2 TYR 69 HE2 TYR 69 -2.188 -5.367 -12.419 559 HH TYR 69 HH TYR 69 -0.493 -5.055 -14.138 560 H PHE 70 H PHE 70 -1.607 -7.053 -5.437 561 HA PHE 70 HA PHE 70 -0.634 -5.381 -3.190 562 HB2 PHE 70 1HB PHE 70 -3.493 -6.076 -3.985 563 HB3 PHE 70 2HB PHE 70 -3.091 -5.586 -2.344 564 HD1 PHE 70 HD1 PHE 70 -3.108 -4.441 -5.894 565 HD2 PHE 70 HD2 PHE 70 -2.685 -3.260 -1.799 566 HE1 PHE 70 HE1 PHE 70 -3.192 -2.077 -6.557 567 HE2 PHE 70 HE2 PHE 70 -2.782 -0.900 -2.479 568 HZ PHE 70 HZ PHE 70 -3.028 -0.304 -4.856 569 H LYS 71 H LYS 71 -0.043 -8.236 -4.150 570 HA LYS 71 HA LYS 71 -1.082 -10.072 -2.253 571 HB2 LYS 71 1HB LYS 71 0.688 -11.603 -2.974 572 HB3 LYS 71 2HB LYS 71 0.005 -10.795 -4.378 573 HG2 LYS 71 1HG LYS 71 1.964 -9.347 -4.570 574 HG3 LYS 71 2HG LYS 71 2.616 -9.975 -3.056 575 HD2 LYS 71 1HD LYS 71 3.843 -11.081 -4.766 576 HD3 LYS 71 2HD LYS 71 2.686 -12.275 -4.181 577 HE2 LYS 71 1HE LYS 71 2.707 -12.437 -6.569 578 HE3 LYS 71 2HE LYS 71 1.200 -11.619 -6.146 579 HZ1 LYS 71 3HZ LYS 71 2.366 -9.491 -6.602 580 HZ2 LYS 71 1HZ LYS 71 2.198 -10.479 -7.960 581 HZ3 LYS 71 2HZ LYS 71 3.690 -10.369 -7.174 582 H ASP 72 H ASP 72 1.837 -8.079 -2.302 583 HA ASP 72 HA ASP 72 1.954 -7.941 0.578 584 HB2 ASP 72 1HB ASP 72 4.126 -8.846 0.917 585 HB3 ASP 72 2HB ASP 72 3.361 -10.020 -0.142 586 H LEU 73 H LEU 73 3.930 -6.431 1.122 587 HA LEU 73 HA LEU 73 3.307 -3.957 -0.145 588 HB2 LEU 73 1HB LEU 73 5.335 -4.776 1.929 589 HB3 LEU 73 2HB LEU 73 5.255 -3.123 1.344 590 HG LEU 73 HG LEU 73 2.950 -4.572 2.688 591 HD11 LEU 73 1HD1 LEU 73 4.893 -2.537 3.801 592 HD12 LEU 73 2HD1 LEU 73 4.792 -4.240 4.242 593 HD13 LEU 73 3HD1 LEU 73 3.461 -3.156 4.630 594 HD21 LEU 73 3HD2 LEU 73 3.297 -1.648 1.898 595 HD22 LEU 73 1HD2 LEU 73 1.927 -2.318 2.796 596 HD23 LEU 73 2HD2 LEU 73 2.213 -2.809 1.126 597 H ASN 74 H ASN 74 5.915 -6.270 -0.674 598 HA ASN 74 HA ASN 74 7.702 -4.440 -1.930 599 HB2 ASN 74 1HB ASN 74 7.420 -7.466 -2.154 600 HB3 ASN 74 2HB ASN 74 8.671 -6.580 -3.015 601 HD21 ASN 74 1HD2 ASN 74 7.528 -7.588 0.140 602 HD22 ASN 74 2HD2 ASN 74 8.992 -7.270 0.978 603 H ALA 75 H ALA 75 5.109 -6.536 -3.140 604 HA ALA 75 HA ALA 75 5.370 -5.926 -5.920 605 HB1 ALA 75 3HB ALA 75 4.239 -7.947 -5.089 606 HB2 ALA 75 1HB ALA 75 3.167 -7.000 -6.124 607 HB3 ALA 75 2HB ALA 75 2.971 -6.955 -4.367 608 H ILE 76 H ILE 76 3.520 -4.529 -3.239 609 HA ILE 76 HA ILE 76 1.988 -2.666 -4.741 610 HB ILE 76 HB ILE 76 2.901 -2.501 -1.833 611 HG12 ILE 76 1HG1 ILE 76 0.274 -3.498 -3.024 612 HG13 ILE 76 2HG1 ILE 76 1.520 -4.501 -2.294 613 HG21 ILE 76 1HG2 ILE 76 0.708 -0.901 -3.217 614 HG22 ILE 76 2HG2 ILE 76 2.257 -0.266 -2.656 615 HG23 ILE 76 3HG2 ILE 76 1.077 -0.864 -1.490 616 HD11 ILE 76 3HD1 ILE 76 -0.368 -4.188 -0.809 617 HD12 ILE 76 1HD1 ILE 76 -0.149 -2.440 -0.855 618 HD13 ILE 76 2HD1 ILE 76 1.088 -3.468 -0.125 619 H SER 77 H SER 77 5.149 -2.450 -3.136 620 HA SER 77 HA SER 77 5.555 0.335 -3.400 621 HB2 SER 77 1HB SER 77 6.787 -0.849 -1.715 622 HB3 SER 77 2HB SER 77 7.443 -1.992 -2.885 623 HG SER 77 HG SER 77 8.014 0.731 -3.232 624 H ARG 78 H ARG 78 6.561 -2.475 -5.331 625 HA ARG 78 HA ARG 78 8.354 -1.101 -7.005 626 HB2 ARG 78 1HB ARG 78 8.511 -3.074 -8.327 627 HB3 ARG 78 2HB ARG 78 8.271 -3.617 -6.670 628 HG2 ARG 78 1HG ARG 78 5.967 -4.182 -7.114 629 HG3 ARG 78 2HG ARG 78 6.048 -3.481 -8.731 630 HD2 ARG 78 1HD ARG 78 7.586 -5.899 -7.743 631 HD3 ARG 78 2HD ARG 78 6.209 -5.924 -8.847 632 HE ARG 78 HE ARG 78 7.699 -4.517 -10.354 633 HH11 ARG 78 1HH1 ARG 78 9.048 -6.949 -8.214 634 HH12 ARG 78 2HH1 ARG 78 10.440 -7.219 -9.217 635 HH21 ARG 78 1HH2 ARG 78 9.532 -4.876 -11.626 636 HH22 ARG 78 2HH2 ARG 78 10.713 -6.051 -11.136 637 H THR 79 H THR 79 4.901 -1.813 -7.256 638 HA THR 79 HA THR 79 4.685 -0.750 -9.938 639 HB THR 79 HB THR 79 3.290 -2.739 -9.079 640 HG1 THR 79 HG1 THR 79 2.687 -0.763 -10.771 641 HG21 THR 79 3HG2 THR 79 1.231 -2.233 -7.873 642 HG22 THR 79 1HG2 THR 79 1.622 -0.504 -7.835 643 HG23 THR 79 2HG2 THR 79 2.597 -1.668 -6.908 644 H VAL 80 H VAL 80 4.310 0.437 -6.647 645 HA VAL 80 HA VAL 80 2.667 2.710 -7.232 646 HB VAL 80 HB VAL 80 4.492 2.012 -4.894 647 HG11 VAL 80 1HG1 VAL 80 3.106 4.706 -5.225 648 HG12 VAL 80 2HG1 VAL 80 4.849 4.433 -5.173 649 HG13 VAL 80 3HG1 VAL 80 3.865 4.132 -3.739 650 HG21 VAL 80 3HG2 VAL 80 2.392 2.096 -3.591 651 HG22 VAL 80 1HG2 VAL 80 2.223 1.013 -4.977 652 HG23 VAL 80 2HG2 VAL 80 1.511 2.626 -5.025 653 H GLU 81 H GLU 81 6.178 2.165 -7.101 654 HA GLU 81 HA GLU 81 6.843 4.853 -7.889 655 HB2 GLU 81 1HB GLU 81 8.581 2.361 -7.809 656 HB3 GLU 81 2HB GLU 81 9.169 4.006 -8.065 657 HG2 GLU 81 1HG GLU 81 8.168 4.618 -5.832 658 HG3 GLU 81 2HG GLU 81 7.835 2.910 -5.572 659 H GLN 82 H GLN 82 6.110 1.909 -9.564 660 HA GLN 82 HA GLN 82 6.925 2.749 -12.183 661 HB2 GLN 82 1HB GLN 82 6.541 0.373 -11.730 662 HB3 GLN 82 2HB GLN 82 4.871 0.677 -11.295 663 HG2 GLN 82 1HG GLN 82 5.782 1.366 -14.083 664 HG3 GLN 82 2HG GLN 82 5.514 -0.323 -13.673 665 HE21 GLN 82 1HE2 GLN 82 4.084 1.533 -15.526 666 HE22 GLN 82 2HE2 GLN 82 2.419 1.448 -15.065 667 H LEU 83 H LEU 83 3.922 2.935 -10.339 668 HA LEU 83 HA LEU 83 2.369 4.366 -12.268 669 HB2 LEU 83 1HB LEU 83 2.062 3.939 -9.268 670 HB3 LEU 83 2HB LEU 83 0.903 4.847 -10.200 671 HG LEU 83 HG LEU 83 1.498 1.891 -10.497 672 HD11 LEU 83 1HD1 LEU 83 0.233 2.395 -8.473 673 HD12 LEU 83 2HD1 LEU 83 -0.765 1.533 -9.640 674 HD13 LEU 83 3HD1 LEU 83 -0.974 3.272 -9.422 675 HD21 LEU 83 3HD2 LEU 83 0.966 2.815 -12.696 676 HD22 LEU 83 1HD2 LEU 83 -0.503 3.559 -12.056 677 HD23 LEU 83 2HD2 LEU 83 -0.351 1.800 -12.114 678 H LYS 84 H LYS 84 4.709 5.228 -9.840 679 HA LYS 84 HA LYS 84 4.147 8.062 -9.779 680 HB2 LYS 84 1HB LYS 84 5.244 6.758 -7.896 681 HB3 LYS 84 2HB LYS 84 6.683 6.608 -8.895 682 HG2 LYS 84 1HG LYS 84 7.242 8.884 -8.667 683 HG3 LYS 84 2HG LYS 84 5.584 9.354 -8.287 684 HD2 LYS 84 1HD LYS 84 7.024 9.530 -6.300 685 HD3 LYS 84 2HD LYS 84 5.767 8.316 -6.062 686 HE2 LYS 84 1HE LYS 84 7.841 7.455 -5.161 687 HE3 LYS 84 2HE LYS 84 7.482 6.548 -6.631 688 HZ1 LYS 84 3HZ LYS 84 9.798 7.179 -6.503 689 HZ2 LYS 84 1HZ LYS 84 9.387 8.819 -6.422 690 HZ3 LYS 84 2HZ LYS 84 9.057 7.931 -7.819 691 H ALA 85 H ALA 85 6.188 5.858 -11.583 692 HA ALA 85 HA ALA 85 7.736 7.753 -13.028 693 HB1 ALA 85 3HB ALA 85 6.899 4.944 -13.859 694 HB2 ALA 85 1HB ALA 85 8.333 5.346 -12.904 695 HB3 ALA 85 2HB ALA 85 8.204 5.895 -14.578 696 H GLU 86 H GLU 86 4.673 6.044 -13.708 697 HA GLU 86 HA GLU 86 4.067 7.298 -16.185 698 HB2 GLU 86 1HB GLU 86 2.113 6.053 -14.193 699 HB3 GLU 86 2HB GLU 86 1.808 6.362 -15.901 700 HG2 GLU 86 1HG GLU 86 3.696 4.328 -14.698 701 HG3 GLU 86 2HG GLU 86 2.238 4.007 -15.619 702 H SER 87 H SER 87 3.428 8.124 -12.821 703 HA SER 87 HA SER 87 1.709 10.364 -13.402 704 HB2 SER 87 1HB SER 87 1.668 9.017 -11.224 705 HB3 SER 87 2HB SER 87 3.161 9.838 -10.768 706 HG SER 87 HG SER 87 1.136 11.510 -11.614 707 H ALA 88 H ALA 88 5.131 9.883 -13.400 708 HA ALA 88 HA ALA 88 5.752 12.760 -13.387 709 HB1 ALA 88 3HB ALA 88 8.096 12.028 -13.622 710 HB2 ALA 88 1HB ALA 88 7.574 10.347 -13.783 711 HB3 ALA 88 2HB ALA 88 7.321 11.212 -12.265 712 H LEU 89 H LEU 89 5.112 10.132 -15.583 713 HA LEU 89 HA LEU 89 6.003 11.645 -17.966 714 HB2 LEU 89 1HB LEU 89 5.121 8.732 -17.682 715 HB3 LEU 89 2HB LEU 89 5.660 9.481 -19.175 716 HG LEU 89 HG LEU 89 7.372 8.996 -16.716 717 HD11 LEU 89 1HD1 LEU 89 6.885 6.928 -17.914 718 HD12 LEU 89 2HD1 LEU 89 8.582 7.366 -18.080 719 HD13 LEU 89 3HD1 LEU 89 7.469 7.636 -19.425 720 HD21 LEU 89 3HD2 LEU 89 8.191 10.234 -19.368 721 HD22 LEU 89 1HD2 LEU 89 9.287 9.782 -18.057 722 HD23 LEU 89 2HD2 LEU 89 8.099 11.057 -17.809 723 H GLU 90 H GLU 90 3.390 11.903 -16.210 724 HA GLU 90 HA GLU 90 1.254 11.298 -18.037 725 HB2 GLU 90 1HB GLU 90 -0.179 12.664 -16.473 726 HB3 GLU 90 2HB GLU 90 0.680 11.334 -15.711 727 HG2 GLU 90 1HG GLU 90 2.317 12.874 -14.776 728 HG3 GLU 90 2HG GLU 90 1.551 14.233 -15.593 729 H282 PNS 101 2H28 PNS 142 -11.927 -1.906 -6.244 730 H281 PNS 101 3H28 PNS 142 -11.579 -2.708 -4.720 731 H303 PNS 101 2H51 PNS 142 -14.253 -3.879 -7.057 732 H302 PNS 101 3H51 PNS 142 -13.232 -5.027 -7.919 733 H301 PNS 101 1H51 PNS 142 -13.009 -3.283 -8.162 734 H313 PNS 101 2H52 PNS 142 -13.583 -4.933 -4.851 735 H312 PNS 101 3H52 PNS 142 -12.599 -6.093 -5.737 736 H311 PNS 101 1H52 PNS 142 -11.859 -5.123 -4.450 737 H32 PNS 101 H32 PNS 142 -10.545 -3.469 -7.493 738 H33 PNS 101 H33 PNS 142 -9.855 -3.423 -5.324 739 H36 PNS 101 H36 PNS 142 -10.148 -6.432 -5.894 740 H372 PNS 101 2H37 PNS 142 -9.166 -8.053 -7.883 741 H371 PNS 101 3H37 PNS 142 -10.903 -8.380 -7.820 742 H382 PNS 101 2H38 PNS 142 -9.608 -9.894 -6.307 743 H381 PNS 101 3H38 PNS 142 -10.753 -8.877 -5.422 744 H41 PNS 101 H41 PNS 142 -9.973 -7.033 -4.327 745 H422 PNS 101 2H42 PNS 142 -7.203 -7.146 -3.315 746 H421 PNS 101 3H42 PNS 142 -7.928 -5.625 -3.856 747 H431 PNS 101 2H43 PNS 142 -9.019 -7.360 -1.622 748 H432 PNS 101 3H43 PNS 142 -8.108 -5.852 -1.408 749 H44 PNS 101 H44 PNS 142 -10.001 -4.277 -2.776 Start of MODEL 12 1 H1 MET 1 1H MET 1 12.158 10.468 -3.491 2 H2 MET 1 2H MET 1 13.512 9.485 -3.729 3 H3 MET 1 3H MET 1 12.783 9.564 -2.211 4 HA MET 1 HA MET 1 10.837 8.518 -2.962 5 HB2 MET 1 1HB MET 1 10.672 7.678 -5.329 6 HB3 MET 1 2HB MET 1 10.645 9.425 -5.180 7 HG2 MET 1 1HG MET 1 13.006 9.527 -5.882 8 HG3 MET 1 2HG MET 1 13.029 7.771 -6.044 9 HE1 MET 1 3HE MET 1 13.915 9.740 -8.424 10 HE2 MET 1 1HE MET 1 13.124 8.955 -9.792 11 HE3 MET 1 2HE MET 1 13.919 7.979 -8.556 12 H ASP 2 H ASP 2 12.255 7.540 -1.292 13 HA ASP 2 HA ASP 2 14.018 5.377 -2.066 14 HB2 ASP 2 1HB ASP 2 14.533 6.611 -0.025 15 HB3 ASP 2 2HB ASP 2 12.947 6.242 0.646 16 H GLY 3 H GLY 3 13.627 3.201 -1.950 17 HA2 GLY 3 1HA GLY 3 10.917 2.409 -2.516 18 HA3 GLY 3 2HA GLY 3 12.353 1.409 -2.618 19 H GLU 4 H GLU 4 12.913 2.288 0.326 20 HA GLU 4 HA GLU 4 11.350 0.174 1.609 21 HB2 GLU 4 1HB GLU 4 13.293 2.045 3.012 22 HB3 GLU 4 2HB GLU 4 12.815 0.413 3.471 23 HG2 GLU 4 1HG GLU 4 14.578 1.207 1.142 24 HG3 GLU 4 2HG GLU 4 15.089 0.423 2.631 25 H GLU 5 H GLU 5 11.689 3.694 1.759 26 HA GLU 5 HA GLU 5 10.088 4.339 3.939 27 HB2 GLU 5 1HB GLU 5 10.679 5.844 1.367 28 HB3 GLU 5 2HB GLU 5 9.679 6.561 2.625 29 HG2 GLU 5 1HG GLU 5 12.529 5.615 3.051 30 HG3 GLU 5 2HG GLU 5 12.074 7.277 2.666 31 H VAL 6 H VAL 6 9.063 3.952 0.521 32 HA VAL 6 HA VAL 6 6.354 4.586 0.813 33 HB VAL 6 HB VAL 6 7.122 4.389 -1.440 34 HG11 VAL 6 1HG1 VAL 6 9.019 2.880 -1.094 35 HG12 VAL 6 2HG1 VAL 6 8.050 2.352 -2.471 36 HG13 VAL 6 3HG1 VAL 6 7.923 1.507 -0.924 37 HG21 VAL 6 3HG2 VAL 6 5.557 2.827 -2.533 38 HG22 VAL 6 1HG2 VAL 6 4.776 3.623 -1.167 39 HG23 VAL 6 2HG2 VAL 6 5.332 1.955 -1.015 40 H LYS 7 H LYS 7 7.979 1.463 1.239 41 HA LYS 7 HA LYS 7 5.667 -0.126 1.606 42 HB2 LYS 7 1HB LYS 7 8.534 -0.587 2.527 43 HB3 LYS 7 2HB LYS 7 7.290 -1.828 2.471 44 HG2 LYS 7 1HG LYS 7 7.124 -1.499 0.005 45 HG3 LYS 7 2HG LYS 7 8.449 -0.335 0.104 46 HD2 LYS 7 1HD LYS 7 8.554 -3.308 0.728 47 HD3 LYS 7 2HD LYS 7 9.337 -2.468 -0.613 48 HE2 LYS 7 1HE LYS 7 10.777 -1.255 0.990 49 HE3 LYS 7 2HE LYS 7 9.998 -2.097 2.331 50 HZ1 LYS 7 3HZ LYS 7 11.572 -3.370 0.169 51 HZ2 LYS 7 1HZ LYS 7 10.819 -4.175 1.453 52 HZ3 LYS 7 2HZ LYS 7 12.086 -3.097 1.759 53 H GLU 8 H GLU 8 7.976 1.278 3.929 54 HA GLU 8 HA GLU 8 6.740 0.136 6.227 55 HB2 GLU 8 1HB GLU 8 8.404 1.349 7.526 56 HB3 GLU 8 2HB GLU 8 9.161 0.626 6.121 57 HG2 GLU 8 1HG GLU 8 10.211 2.653 6.063 58 HG3 GLU 8 2HG GLU 8 8.802 3.055 5.088 59 H LYS 9 H LYS 9 6.517 3.358 4.712 60 HA LYS 9 HA LYS 9 4.877 4.668 6.552 61 HB2 LYS 9 1HB LYS 9 5.160 4.847 3.547 62 HB3 LYS 9 2HB LYS 9 3.895 5.775 4.336 63 HG2 LYS 9 1HG LYS 9 5.597 6.902 5.731 64 HG3 LYS 9 2HG LYS 9 6.866 5.991 4.902 65 HD2 LYS 9 1HD LYS 9 6.230 7.041 2.757 66 HD3 LYS 9 2HD LYS 9 4.929 7.923 3.564 67 HE2 LYS 9 1HE LYS 9 7.900 8.246 4.111 68 HE3 LYS 9 2HE LYS 9 6.878 9.372 3.213 69 HZ1 LYS 9 3HZ LYS 9 6.640 8.670 6.081 70 HZ2 LYS 9 1HZ LYS 9 5.550 9.657 5.249 71 HZ3 LYS 9 2HZ LYS 9 7.155 10.142 5.441 72 H ILE 10 H ILE 10 3.928 2.684 3.750 73 HA ILE 10 HA ILE 10 1.139 2.882 4.115 74 HB ILE 10 HB ILE 10 2.789 0.786 2.638 75 HG12 ILE 10 1HG1 ILE 10 1.190 3.150 1.555 76 HG13 ILE 10 2HG1 ILE 10 2.918 3.202 1.875 77 HG21 ILE 10 1HG2 ILE 10 -0.226 1.214 2.474 78 HG22 ILE 10 2HG2 ILE 10 0.583 -0.197 3.156 79 HG23 ILE 10 3HG2 ILE 10 0.716 0.143 1.430 80 HD11 ILE 10 3HD1 ILE 10 2.495 2.900 -0.463 81 HD12 ILE 10 1HD1 ILE 10 1.536 1.455 -0.151 82 HD13 ILE 10 2HD1 ILE 10 3.270 1.457 0.185 83 H ARG 11 H ARG 11 3.507 0.444 5.274 84 HA ARG 11 HA ARG 11 1.563 -1.338 6.316 85 HB2 ARG 11 1HB ARG 11 3.289 -2.652 7.251 86 HB3 ARG 11 2HB ARG 11 3.929 -1.990 5.770 87 HG2 ARG 11 1HG ARG 11 5.744 -1.908 7.197 88 HG3 ARG 11 2HG ARG 11 5.129 -0.264 7.253 89 HD2 ARG 11 1HD ARG 11 4.631 -0.395 9.486 90 HD3 ARG 11 2HD ARG 11 4.047 -2.047 9.366 91 HE ARG 11 HE ARG 11 6.059 -2.776 10.098 92 HH11 ARG 11 1HH1 ARG 11 6.651 0.436 8.779 93 HH12 ARG 11 2HH1 ARG 11 8.301 0.453 9.289 94 HH21 ARG 11 1HH2 ARG 11 8.212 -2.709 10.745 95 HH22 ARG 11 2HH2 ARG 11 9.195 -1.318 10.398 96 H ARG 12 H ARG 12 3.206 1.458 7.677 97 HA ARG 12 HA ARG 12 2.328 1.052 10.345 98 HB2 ARG 12 1HB ARG 12 3.621 3.323 8.866 99 HB3 ARG 12 2HB ARG 12 2.674 3.786 10.265 100 HG2 ARG 12 1HG ARG 12 4.515 3.404 11.499 101 HG3 ARG 12 2HG ARG 12 4.196 1.691 11.271 102 HD2 ARG 12 1HD ARG 12 6.513 2.170 10.784 103 HD3 ARG 12 2HD ARG 12 5.675 1.699 9.298 104 HE ARG 12 HE ARG 12 6.159 3.740 8.421 105 HH11 ARG 12 1HH1 ARG 12 6.516 4.091 11.922 106 HH12 ARG 12 2HH1 ARG 12 7.144 5.704 11.797 107 HH21 ARG 12 1HH2 ARG 12 7.045 5.828 8.315 108 HH22 ARG 12 2HH2 ARG 12 7.437 6.677 9.780 109 H TYR 13 H TYR 13 0.994 2.779 7.572 110 HA TYR 13 HA TYR 13 -1.165 4.031 8.925 111 HB2 TYR 13 1HB TYR 13 -0.335 4.691 6.649 112 HB3 TYR 13 2HB TYR 13 -1.025 3.206 5.994 113 HD1 TYR 13 HD1 TYR 13 -2.136 6.101 8.145 114 HD2 TYR 13 HD2 TYR 13 -3.130 3.454 4.952 115 HE1 TYR 13 HE1 TYR 13 -4.265 7.260 7.849 116 HE2 TYR 13 HE2 TYR 13 -5.264 4.606 4.651 117 HH TYR 13 HH TYR 13 -6.813 5.948 6.025 118 H ILE 14 H ILE 14 -0.803 0.848 7.402 119 HA ILE 14 HA ILE 14 -3.488 -0.046 7.652 120 HB ILE 14 HB ILE 14 -0.923 -1.707 7.701 121 HG12 ILE 14 1HG1 ILE 14 -2.693 -1.237 5.263 122 HG13 ILE 14 2HG1 ILE 14 -1.368 -0.151 5.660 123 HG21 ILE 14 1HG2 ILE 14 -3.773 -2.596 7.086 124 HG22 ILE 14 2HG2 ILE 14 -2.833 -3.023 8.519 125 HG23 ILE 14 3HG2 ILE 14 -2.328 -3.598 6.931 126 HD11 ILE 14 3HD1 ILE 14 -1.113 -3.096 5.068 127 HD12 ILE 14 1HD1 ILE 14 0.213 -2.011 5.515 128 HD13 ILE 14 2HD1 ILE 14 -0.675 -1.754 4.009 129 H MET 15 H MET 15 -0.774 0.084 9.916 130 HA MET 15 HA MET 15 -2.053 -1.390 12.033 131 HB2 MET 15 1HB MET 15 0.275 0.571 12.166 132 HB3 MET 15 2HB MET 15 -0.170 -0.592 13.412 133 HG2 MET 15 1HG MET 15 0.414 -2.441 11.960 134 HG3 MET 15 2HG MET 15 0.702 -1.339 10.619 135 HE1 MET 15 3HE MET 15 3.308 -1.557 14.388 136 HE2 MET 15 1HE MET 15 1.873 -2.544 14.103 137 HE3 MET 15 2HE MET 15 1.713 -0.804 14.379 138 H GLU 16 H GLU 16 -1.898 2.001 11.072 139 HA GLU 16 HA GLU 16 -2.989 3.064 13.534 140 HB2 GLU 16 1HB GLU 16 -2.558 4.470 10.855 141 HB3 GLU 16 2HB GLU 16 -2.949 5.259 12.382 142 HG2 GLU 16 1HG GLU 16 -0.387 3.855 11.621 143 HG3 GLU 16 2HG GLU 16 -0.621 5.566 11.973 144 H ASP 17 H ASP 17 -4.169 3.527 10.196 145 HA ASP 17 HA ASP 17 -6.800 4.206 11.091 146 HB2 ASP 17 1HB ASP 17 -5.849 5.312 9.146 147 HB3 ASP 17 2HB ASP 17 -5.612 3.776 8.325 148 H LEU 18 H LEU 18 -5.479 1.487 9.193 149 HA LEU 18 HA LEU 18 -8.019 0.414 8.528 150 HB2 LEU 18 1HB LEU 18 -5.204 -0.698 8.248 151 HB3 LEU 18 2HB LEU 18 -6.609 -1.591 7.705 152 HG LEU 18 HG LEU 18 -5.715 -0.566 5.754 153 HD11 LEU 18 1HD1 LEU 18 -7.468 0.887 5.002 154 HD12 LEU 18 2HD1 LEU 18 -7.987 1.188 6.664 155 HD13 LEU 18 3HD1 LEU 18 -8.125 -0.430 5.967 156 HD21 LEU 18 3HD2 LEU 18 -4.269 1.126 6.780 157 HD22 LEU 18 1HD2 LEU 18 -5.676 2.114 7.157 158 HD23 LEU 18 2HD2 LEU 18 -5.233 1.803 5.473 159 H ILE 19 H ILE 19 -5.457 -1.074 10.539 160 HA ILE 19 HA ILE 19 -7.398 -2.903 11.710 161 HB ILE 19 HB ILE 19 -4.390 -2.763 12.171 162 HG12 ILE 19 1HG1 ILE 19 -5.929 -4.644 10.312 163 HG13 ILE 19 2HG1 ILE 19 -4.933 -3.288 9.792 164 HG21 ILE 19 1HG2 ILE 19 -4.601 -5.037 13.116 165 HG22 ILE 19 2HG2 ILE 19 -6.349 -4.975 12.893 166 HG23 ILE 19 3HG2 ILE 19 -5.566 -3.872 14.025 167 HD11 ILE 19 3HD1 ILE 19 -3.730 -5.352 9.502 168 HD12 ILE 19 1HD1 ILE 19 -3.960 -5.777 11.200 169 HD13 ILE 19 2HD1 ILE 19 -2.954 -4.394 10.762 170 H GLY 20 H GLY 20 -4.714 -1.477 13.503 171 HA2 GLY 20 1HA GLY 20 -5.021 0.311 15.119 172 HA3 GLY 20 2HA GLY 20 -6.648 -0.305 15.405 173 HA PRO 21 HA PRO 21 -5.008 -2.686 18.689 174 HB2 PRO 21 1HB PRO 21 -6.876 -4.700 18.940 175 HB3 PRO 21 2HB PRO 21 -7.203 -2.999 19.306 176 HG2 PRO 21 1HG PRO 21 -8.194 -4.619 17.086 177 HG3 PRO 21 2HG PRO 21 -8.773 -3.051 17.680 178 HD2 PRO 21 1HD PRO 21 -7.045 -3.594 15.395 179 HD3 PRO 21 2HD PRO 21 -7.762 -2.051 15.887 180 H SER 22 H SER 22 -5.944 -5.247 16.263 181 HA SER 22 HA SER 22 -3.812 -6.999 17.192 182 HB2 SER 22 1HB SER 22 -6.027 -7.904 16.490 183 HB3 SER 22 2HB SER 22 -5.727 -7.347 14.846 184 HG SER 22 HG SER 22 -3.890 -9.066 16.127 185 H ALA 23 H ALA 23 -2.305 -5.151 16.667 186 HA ALA 23 HA ALA 23 -0.758 -5.750 14.326 187 HB1 ALA 23 3HB ALA 23 -2.344 -4.167 13.312 188 HB2 ALA 23 1HB ALA 23 -0.742 -3.437 13.417 189 HB3 ALA 23 2HB ALA 23 -2.006 -2.971 14.566 190 H LYS 24 H LYS 24 0.663 -6.326 15.996 191 HA LYS 24 HA LYS 24 1.722 -4.506 17.915 192 HB2 LYS 24 1HB LYS 24 1.743 -7.047 18.071 193 HB3 LYS 24 2HB LYS 24 3.024 -7.052 16.863 194 HG2 LYS 24 1HG LYS 24 4.480 -5.779 18.397 195 HG3 LYS 24 2HG LYS 24 3.185 -5.744 19.601 196 HD2 LYS 24 1HD LYS 24 3.246 -8.209 19.744 197 HD3 LYS 24 2HD LYS 24 4.541 -8.255 18.541 198 HE2 LYS 24 1HE LYS 24 6.044 -7.066 20.063 199 HE3 LYS 24 2HE LYS 24 4.742 -6.864 21.239 200 HZ1 LYS 24 3HZ LYS 24 5.964 -9.423 20.384 201 HZ2 LYS 24 1HZ LYS 24 4.649 -9.289 21.436 202 HZ3 LYS 24 2HZ LYS 24 6.153 -8.663 21.882 203 H GLU 25 H GLU 25 4.199 -4.045 17.856 204 HA GLU 25 HA GLU 25 4.657 -1.927 16.248 205 HB2 GLU 25 1HB GLU 25 6.776 -3.787 17.394 206 HB3 GLU 25 2HB GLU 25 7.061 -2.119 16.906 207 HG2 GLU 25 1HG GLU 25 5.592 -1.306 18.687 208 HG3 GLU 25 2HG GLU 25 5.150 -2.956 19.115 209 H ASP 26 H ASP 26 5.281 -5.265 15.224 210 HA ASP 26 HA ASP 26 5.804 -4.302 12.523 211 HB2 ASP 26 1HB ASP 26 8.064 -4.525 13.787 212 HB3 ASP 26 2HB ASP 26 7.778 -6.262 13.757 213 H GLU 27 H GLU 27 3.635 -5.793 13.895 214 HA GLU 27 HA GLU 27 3.592 -8.407 12.786 215 HB2 GLU 27 1HB GLU 27 1.411 -6.582 13.850 216 HB3 GLU 27 2HB GLU 27 0.934 -7.986 12.885 217 HG2 GLU 27 1HG GLU 27 2.447 -9.329 14.550 218 HG3 GLU 27 2HG GLU 27 2.304 -7.898 15.562 219 H LEU 28 H LEU 28 2.934 -5.239 11.521 220 HA LEU 28 HA LEU 28 2.371 -6.314 8.856 221 HB2 LEU 28 1HB LEU 28 2.362 -3.545 10.092 222 HB3 LEU 28 2HB LEU 28 2.493 -3.705 8.354 223 HG LEU 28 HG LEU 28 0.172 -3.291 9.001 224 HD11 LEU 28 1HD1 LEU 28 0.534 -6.115 7.967 225 HD12 LEU 28 2HD1 LEU 28 0.567 -4.630 7.009 226 HD13 LEU 28 3HD1 LEU 28 -0.917 -5.116 7.818 227 HD21 LEU 28 3HD2 LEU 28 0.296 -5.877 10.585 228 HD22 LEU 28 1HD2 LEU 28 -1.142 -4.884 10.316 229 HD23 LEU 28 2HD2 LEU 28 0.202 -4.248 11.260 230 H ASP 29 H ASP 29 4.033 -7.030 7.829 231 HA ASP 29 HA ASP 29 6.732 -5.843 8.109 232 HB2 ASP 29 1HB ASP 29 6.502 -8.123 9.116 233 HB3 ASP 29 2HB ASP 29 5.960 -8.759 7.575 234 H ASP 30 H ASP 30 8.093 -6.344 6.225 235 HA ASP 30 HA ASP 30 7.179 -5.147 3.882 236 HB2 ASP 30 1HB ASP 30 9.524 -5.060 4.371 237 HB3 ASP 30 2HB ASP 30 9.634 -6.803 4.559 238 H GLN 31 H GLN 31 7.359 -8.510 4.829 239 HA GLN 31 HA GLN 31 6.519 -9.434 2.137 240 HB2 GLN 31 1HB GLN 31 8.143 -10.884 4.288 241 HB3 GLN 31 2HB GLN 31 7.669 -11.579 2.738 242 HG2 GLN 31 1HG GLN 31 9.103 -10.091 1.516 243 HG3 GLN 31 2HG GLN 31 9.382 -9.083 2.935 244 HE21 GLN 31 1HE2 GLN 31 10.781 -9.815 4.556 245 HE22 GLN 31 2HE2 GLN 31 11.909 -11.094 4.287 246 H THR 32 H THR 32 5.136 -8.626 4.883 247 HA THR 32 HA THR 32 3.497 -10.824 5.575 248 HB THR 32 HB THR 32 3.164 -7.844 5.895 249 HG1 THR 32 HG1 THR 32 4.360 -9.720 7.279 250 HG21 THR 32 3HG2 THR 32 1.187 -9.931 6.861 251 HG22 THR 32 1HG2 THR 32 0.871 -8.697 5.642 252 HG23 THR 32 2HG2 THR 32 1.178 -8.225 7.315 253 HA PRO 33 HA PRO 33 1.024 -10.681 1.768 254 HB2 PRO 33 1HB PRO 33 -0.503 -12.877 2.280 255 HB3 PRO 33 2HB PRO 33 1.191 -13.013 1.763 256 HG2 PRO 33 1HG PRO 33 0.028 -13.291 4.512 257 HG3 PRO 33 2HG PRO 33 1.324 -14.230 3.737 258 HD2 PRO 33 1HD PRO 33 1.780 -12.150 5.523 259 HD3 PRO 33 2HD PRO 33 2.950 -12.682 4.291 260 H LEU 34 H LEU 34 0.045 -8.758 2.289 261 HA LEU 34 HA LEU 34 -1.563 -8.081 4.453 262 HB2 LEU 34 1HB LEU 34 -1.718 -6.901 1.646 263 HB3 LEU 34 2HB LEU 34 -2.178 -6.100 3.144 264 HG LEU 34 HG LEU 34 0.677 -6.850 2.368 265 HD11 LEU 34 1HD1 LEU 34 -0.641 -4.113 2.379 266 HD12 LEU 34 2HD1 LEU 34 -0.166 -5.042 0.955 267 HD13 LEU 34 3HD1 LEU 34 1.066 -4.448 2.063 268 HD21 LEU 34 3HD2 LEU 34 0.390 -6.901 4.790 269 HD22 LEU 34 1HD2 LEU 34 -0.314 -5.282 4.772 270 HD23 LEU 34 2HD2 LEU 34 1.377 -5.521 4.316 271 H LEU 35 H LEU 35 -2.549 -8.861 1.135 272 HA LEU 35 HA LEU 35 -5.348 -8.667 1.550 273 HB2 LEU 35 1HB LEU 35 -4.069 -8.447 -0.636 274 HB3 LEU 35 2HB LEU 35 -3.895 -10.193 -0.636 275 HG LEU 35 HG LEU 35 -6.460 -10.312 -0.568 276 HD11 LEU 35 1HD1 LEU 35 -6.215 -7.375 -1.259 277 HD12 LEU 35 2HD1 LEU 35 -6.915 -8.062 0.209 278 HD13 LEU 35 3HD1 LEU 35 -7.695 -8.338 -1.345 279 HD21 LEU 35 3HD2 LEU 35 -5.144 -9.099 -3.004 280 HD22 LEU 35 1HD2 LEU 35 -6.686 -9.968 -2.984 281 HD23 LEU 35 2HD2 LEU 35 -5.194 -10.816 -2.582 282 H GLU 36 H GLU 36 -3.054 -11.347 1.739 283 HA GLU 36 HA GLU 36 -4.872 -13.528 1.702 284 HB2 GLU 36 1HB GLU 36 -2.313 -13.570 1.383 285 HB3 GLU 36 2HB GLU 36 -2.183 -13.497 3.132 286 HG2 GLU 36 1HG GLU 36 -1.937 -15.790 2.371 287 HG3 GLU 36 2HG GLU 36 -3.431 -15.630 3.301 288 H TRP 37 H TRP 37 -3.556 -11.518 4.281 289 HA TRP 37 HA TRP 37 -4.817 -12.870 6.483 290 HB2 TRP 37 1HB TRP 37 -3.593 -10.086 6.221 291 HB3 TRP 37 2HB TRP 37 -4.235 -10.718 7.736 292 HD1 TRP 37 HD1 TRP 37 -2.340 -13.311 5.711 293 HE1 TRP 37 HE1 TRP 37 -0.053 -13.737 6.792 294 HE3 TRP 37 HE3 TRP 37 -2.298 -9.454 9.070 295 HZ2 TRP 37 HZ2 TRP 37 1.563 -12.608 8.795 296 HZ3 TRP 37 HZ3 TRP 37 -0.336 -9.199 10.544 297 HH2 TRP 37 HH2 TRP 37 1.555 -10.748 10.407 298 H GLY 38 H GLY 38 -5.951 -10.649 4.103 299 HA2 GLY 38 1HA GLY 38 -8.129 -10.091 3.592 300 HA3 GLY 38 2HA GLY 38 -8.667 -10.837 5.088 301 H ILE 39 H ILE 39 -6.131 -8.628 5.515 302 HA ILE 39 HA ILE 39 -7.773 -6.703 6.899 303 HB ILE 39 HB ILE 39 -5.665 -5.527 7.388 304 HG12 ILE 39 1HG1 ILE 39 -4.377 -7.495 5.433 305 HG13 ILE 39 2HG1 ILE 39 -4.508 -5.758 5.226 306 HG21 ILE 39 1HG2 ILE 39 -6.257 -7.471 8.781 307 HG22 ILE 39 2HG2 ILE 39 -4.509 -7.314 8.642 308 HG23 ILE 39 3HG2 ILE 39 -5.359 -8.544 7.703 309 HD11 ILE 39 3HD1 ILE 39 -2.268 -6.376 5.822 310 HD12 ILE 39 1HD1 ILE 39 -2.835 -7.182 7.284 311 HD13 ILE 39 2HD1 ILE 39 -2.990 -5.432 7.122 312 H LEU 40 H LEU 40 -6.720 -7.113 3.656 313 HA LEU 40 HA LEU 40 -7.425 -4.334 2.923 314 HB2 LEU 40 1HB LEU 40 -5.845 -6.351 1.267 315 HB3 LEU 40 2HB LEU 40 -6.261 -4.719 0.772 316 HG LEU 40 HG LEU 40 -4.173 -5.630 2.761 317 HD11 LEU 40 1HD1 LEU 40 -3.511 -5.354 0.432 318 HD12 LEU 40 2HD1 LEU 40 -2.708 -4.175 1.465 319 HD13 LEU 40 3HD1 LEU 40 -4.061 -3.671 0.446 320 HD21 LEU 40 3HD2 LEU 40 -5.392 -3.953 4.028 321 HD22 LEU 40 1HD2 LEU 40 -5.304 -2.812 2.681 322 HD23 LEU 40 2HD2 LEU 40 -3.833 -3.306 3.526 323 H ASN 41 H ASN 41 -8.889 -3.980 1.335 324 HA ASN 41 HA ASN 41 -10.209 -5.875 -0.287 325 HB2 ASN 41 1HB ASN 41 -12.393 -6.002 0.731 326 HB3 ASN 41 2HB ASN 41 -11.234 -6.460 1.968 327 HD21 ASN 41 1HD2 ASN 41 -13.921 -5.634 2.377 328 HD22 ASN 41 2HD2 ASN 41 -13.895 -4.179 3.310 329 H SER 42 H SER 42 -12.293 -4.774 -1.236 330 HA SER 42 HA SER 42 -11.536 -2.421 -2.574 331 HB2 SER 42 2HB SER 42 -13.004 -3.832 -3.765 332 HB3 SER 42 1HB SER 42 -14.053 -4.087 -2.383 333 H MET 43 H MET 43 -13.412 -2.869 0.375 334 HA MET 43 HA MET 43 -14.575 -0.288 0.534 335 HB2 MET 43 1HB MET 43 -13.950 -2.332 2.699 336 HB3 MET 43 2HB MET 43 -14.742 -0.802 3.047 337 HG2 MET 43 1HG MET 43 -15.892 -2.755 1.061 338 HG3 MET 43 2HG MET 43 -16.233 -2.860 2.785 339 HE1 MET 43 3HE MET 43 -17.958 0.276 -0.134 340 HE2 MET 43 1HE MET 43 -17.180 -1.243 -0.575 341 HE3 MET 43 2HE MET 43 -16.204 0.125 -0.035 342 H ASN 44 H ASN 44 -11.561 -1.590 2.016 343 HA ASN 44 HA ASN 44 -10.971 1.016 3.180 344 HB2 ASN 44 1HB ASN 44 -9.210 0.045 4.369 345 HB3 ASN 44 2HB ASN 44 -10.443 -1.184 4.382 346 HD21 ASN 44 1HD2 ASN 44 -7.257 -0.295 3.192 347 HD22 ASN 44 2HD2 ASN 44 -6.824 -1.872 2.638 348 H ILE 45 H ILE 45 -10.381 -0.424 0.202 349 HA ILE 45 HA ILE 45 -7.751 0.037 -0.443 350 HB ILE 45 HB ILE 45 -9.780 -1.057 -1.797 351 HG12 ILE 45 1HG1 ILE 45 -8.321 -0.915 -3.928 352 HG13 ILE 45 2HG1 ILE 45 -7.250 0.121 -2.992 353 HG21 ILE 45 1HG2 ILE 45 -10.494 0.190 -3.782 354 HG22 ILE 45 2HG2 ILE 45 -9.597 1.611 -3.244 355 HG23 ILE 45 3HG2 ILE 45 -10.980 1.037 -2.311 356 HD11 ILE 45 3HD1 ILE 45 -6.487 -2.178 -3.043 357 HD12 ILE 45 1HD1 ILE 45 -7.996 -2.726 -2.312 358 HD13 ILE 45 2HD1 ILE 45 -6.886 -1.694 -1.397 359 H VAL 46 H VAL 46 -10.354 2.384 -0.326 360 HA VAL 46 HA VAL 46 -9.066 4.449 -1.843 361 HB VAL 46 HB VAL 46 -10.962 5.902 -1.078 362 HG11 VAL 46 1HG1 VAL 46 -11.786 3.191 -2.203 363 HG12 VAL 46 2HG1 VAL 46 -11.196 4.576 -3.125 364 HG13 VAL 46 3HG1 VAL 46 -12.748 4.673 -2.290 365 HG21 VAL 46 3HG2 VAL 46 -12.843 4.921 0.230 366 HG22 VAL 46 1HG2 VAL 46 -11.353 4.971 1.178 367 HG23 VAL 46 2HG2 VAL 46 -11.905 3.446 0.481 368 H LYS 47 H LYS 47 -9.286 3.700 1.647 369 HA LYS 47 HA LYS 47 -8.185 6.174 2.559 370 HB2 LYS 47 1HB LYS 47 -8.484 3.463 3.906 371 HB3 LYS 47 2HB LYS 47 -7.559 4.741 4.682 372 HG2 LYS 47 1HG LYS 47 -9.615 5.088 5.661 373 HG3 LYS 47 2HG LYS 47 -9.726 6.189 4.292 374 HD2 LYS 47 1HD LYS 47 -11.815 5.066 4.370 375 HD3 LYS 47 2HD LYS 47 -10.939 4.298 3.043 376 HE2 LYS 47 1HE LYS 47 -10.353 2.414 4.498 377 HE3 LYS 47 2HE LYS 47 -11.135 3.202 5.871 378 HZ1 LYS 47 3HZ LYS 47 -13.242 2.981 4.818 379 HZ2 LYS 47 1HZ LYS 47 -12.487 1.473 4.824 380 HZ3 LYS 47 2HZ LYS 47 -12.558 2.376 3.394 381 H LEU 48 H LEU 48 -6.740 3.045 1.677 382 HA LEU 48 HA LEU 48 -4.042 3.825 2.193 383 HB2 LEU 48 1HB LEU 48 -5.296 1.633 0.517 384 HB3 LEU 48 2HB LEU 48 -3.560 1.901 0.474 385 HG LEU 48 HG LEU 48 -5.182 1.159 2.943 386 HD11 LEU 48 1HD1 LEU 48 -4.985 -0.708 1.374 387 HD12 LEU 48 2HD1 LEU 48 -4.040 -0.993 2.830 388 HD13 LEU 48 3HD1 LEU 48 -3.228 -0.518 1.336 389 HD21 LEU 48 3HD2 LEU 48 -3.273 2.588 3.531 390 HD22 LEU 48 1HD2 LEU 48 -2.173 1.510 2.665 391 HD23 LEU 48 2HD2 LEU 48 -3.033 0.941 4.101 392 H MET 49 H MET 49 -6.130 3.986 -0.686 393 HA MET 49 HA MET 49 -4.257 4.659 -2.628 394 HB2 MET 49 1HB MET 49 -6.612 3.934 -3.035 395 HB3 MET 49 2HB MET 49 -7.188 5.485 -2.437 396 HG2 MET 49 1HG MET 49 -5.951 6.589 -4.303 397 HG3 MET 49 2HG MET 49 -5.556 4.986 -4.927 398 HE1 MET 49 3HE MET 49 -7.489 3.216 -5.700 399 HE2 MET 49 1HE MET 49 -9.203 3.621 -5.743 400 HE3 MET 49 2HE MET 49 -8.378 3.438 -4.192 401 H VAL 50 H VAL 50 -6.176 6.742 -0.472 402 HA VAL 50 HA VAL 50 -5.255 9.237 -1.570 403 HB VAL 50 HB VAL 50 -6.391 10.338 0.340 404 HG11 VAL 50 1HG1 VAL 50 -8.105 8.173 -0.945 405 HG12 VAL 50 2HG1 VAL 50 -7.726 9.751 -1.640 406 HG13 VAL 50 3HG1 VAL 50 -8.708 9.647 -0.179 407 HG21 VAL 50 3HG2 VAL 50 -7.003 7.536 1.369 408 HG22 VAL 50 1HG2 VAL 50 -7.611 9.045 2.058 409 HG23 VAL 50 2HG2 VAL 50 -5.883 8.677 2.109 410 H TYR 51 H TYR 51 -4.237 7.102 1.024 411 HA TYR 51 HA TYR 51 -2.505 8.816 2.451 412 HB2 TYR 51 1HB TYR 51 -3.245 6.594 3.306 413 HB3 TYR 51 2HB TYR 51 -2.325 5.798 2.049 414 HD1 TYR 51 HD1 TYR 51 -1.881 8.141 4.961 415 HD2 TYR 51 HD2 TYR 51 -0.058 5.159 2.486 416 HE1 TYR 51 HE1 TYR 51 0.098 8.140 6.417 417 HE2 TYR 51 HE2 TYR 51 1.909 5.159 3.944 418 HH TYR 51 HH TYR 51 1.947 6.656 7.001 419 H ILE 52 H ILE 52 -1.883 6.474 -0.122 420 HA ILE 52 HA ILE 52 0.898 6.929 -0.411 421 HB ILE 52 HB ILE 52 -1.111 5.669 -2.321 422 HG12 ILE 52 1HG1 ILE 52 0.707 4.085 -0.473 423 HG13 ILE 52 2HG1 ILE 52 -0.778 4.767 0.172 424 HG21 ILE 52 1HG2 ILE 52 1.910 5.318 -2.271 425 HG22 ILE 52 2HG2 ILE 52 0.988 6.183 -3.501 426 HG23 ILE 52 3HG2 ILE 52 0.787 4.441 -3.313 427 HD11 ILE 52 3HD1 ILE 52 -0.649 2.877 -2.168 428 HD12 ILE 52 1HD1 ILE 52 -2.097 3.510 -1.369 429 HD13 ILE 52 2HD1 ILE 52 -1.002 2.436 -0.496 430 H ARG 53 H ARG 53 -1.949 8.277 -1.972 431 HA ARG 53 HA ARG 53 -0.895 9.899 -3.968 432 HB2 ARG 53 1HB ARG 53 -3.296 9.665 -3.620 433 HB3 ARG 53 2HB ARG 53 -3.176 10.386 -2.021 434 HG2 ARG 53 1HG ARG 53 -2.351 12.520 -3.260 435 HG3 ARG 53 2HG ARG 53 -2.982 11.739 -4.715 436 HD2 ARG 53 1HD ARG 53 -4.636 13.266 -3.745 437 HD3 ARG 53 2HD ARG 53 -5.214 11.593 -3.658 438 HE ARG 53 HE ARG 53 -3.809 12.391 -1.275 439 HH11 ARG 53 1HH1 ARG 53 -6.950 12.619 -2.833 440 HH12 ARG 53 2HH1 ARG 53 -7.799 12.831 -1.336 441 HH21 ARG 53 1HH2 ARG 53 -4.951 12.620 0.669 442 HH22 ARG 53 2HH2 ARG 53 -6.675 12.833 0.632 443 H ASP 54 H ASP 54 -1.285 10.636 -0.479 444 HA ASP 54 HA ASP 54 -0.153 13.274 -0.620 445 HB2 ASP 54 1HB ASP 54 -0.841 11.452 1.729 446 HB3 ASP 54 2HB ASP 54 -0.112 13.037 1.965 447 H GLU 55 H GLU 55 1.053 10.167 0.608 448 HA GLU 55 HA GLU 55 3.471 11.305 1.660 449 HB2 GLU 55 1HB GLU 55 2.492 8.430 1.487 450 HB3 GLU 55 2HB GLU 55 3.966 8.920 2.315 451 HG2 GLU 55 1HG GLU 55 1.150 9.790 3.043 452 HG3 GLU 55 2HG GLU 55 2.117 8.581 3.886 453 H MET 56 H MET 56 2.812 8.902 -0.944 454 HA MET 56 HA MET 56 5.622 8.881 -1.733 455 HB2 MET 56 1HB MET 56 3.221 7.490 -3.004 456 HB3 MET 56 2HB MET 56 4.901 7.249 -3.476 457 HG2 MET 56 1HG MET 56 4.224 5.432 -2.098 458 HG3 MET 56 2HG MET 56 5.357 6.429 -1.173 459 HE1 MET 56 3HE MET 56 3.337 5.836 1.897 460 HE2 MET 56 1HE MET 56 4.893 6.242 1.165 461 HE3 MET 56 2HE MET 56 4.092 4.720 0.754 462 H GLY 57 H GLY 57 2.705 10.550 -2.607 463 HA2 GLY 57 1HA GLY 57 2.273 12.171 -4.203 464 HA3 GLY 57 2HA GLY 57 3.921 12.013 -4.801 465 H VAL 58 H VAL 58 1.843 9.232 -4.405 466 HA VAL 58 HA VAL 58 1.571 8.919 -7.344 467 HB VAL 58 HB VAL 58 2.277 6.702 -5.354 468 HG11 VAL 58 1HG1 VAL 58 1.966 6.520 -8.385 469 HG12 VAL 58 2HG1 VAL 58 0.850 5.858 -7.187 470 HG13 VAL 58 3HG1 VAL 58 2.486 5.212 -7.315 471 HG21 VAL 58 3HG2 VAL 58 4.039 7.947 -7.507 472 HG22 VAL 58 1HG2 VAL 58 4.470 6.572 -6.485 473 HG23 VAL 58 2HG2 VAL 58 4.220 8.162 -5.763 474 H SER 59 H SER 59 -0.556 9.050 -7.722 475 HA SER 59 HA SER 59 -2.567 7.974 -5.892 476 HB2 SER 59 1HB SER 59 -2.881 9.328 -8.616 477 HB3 SER 59 2HB SER 59 -4.204 8.899 -7.524 478 HG SER 59 HG SER 59 -3.498 11.104 -7.360 479 H ILE 60 H ILE 60 -3.340 5.922 -6.075 480 HA ILE 60 HA ILE 60 -2.538 4.225 -8.299 481 HB ILE 60 HB ILE 60 -4.277 3.471 -5.895 482 HG12 ILE 60 1HG1 ILE 60 -2.183 2.171 -5.147 483 HG13 ILE 60 2HG1 ILE 60 -1.275 3.081 -6.349 484 HG21 ILE 60 1HG2 ILE 60 -3.844 1.118 -6.558 485 HG22 ILE 60 2HG2 ILE 60 -2.974 1.679 -7.988 486 HG23 ILE 60 3HG2 ILE 60 -4.701 2.004 -7.822 487 HD11 ILE 60 3HD1 ILE 60 -1.797 5.149 -5.166 488 HD12 ILE 60 1HD1 ILE 60 -1.011 3.971 -4.117 489 HD13 ILE 60 2HD1 ILE 60 -2.747 4.236 -3.987 490 HA PRO 61 HA PRO 61 -6.474 5.340 -10.325 491 HB2 PRO 61 1HB PRO 61 -6.055 3.954 -12.661 492 HB3 PRO 61 2HB PRO 61 -5.262 5.505 -12.317 493 HG2 PRO 61 1HG PRO 61 -4.158 2.723 -12.024 494 HG3 PRO 61 2HG PRO 61 -3.392 4.169 -12.728 495 HD2 PRO 61 1HD PRO 61 -2.863 3.345 -10.195 496 HD3 PRO 61 2HD PRO 61 -2.849 5.066 -10.648 497 H SER 62 H SER 62 -8.401 4.216 -10.827 498 HA SER 62 HA SER 62 -9.005 1.965 -9.252 499 HB2 SER 62 1HB SER 62 -11.254 2.074 -10.462 500 HB3 SER 62 2HB SER 62 -10.745 3.575 -9.689 501 HG SER 62 HG SER 62 -11.319 3.127 -12.264 502 H THR 63 H THR 63 -7.902 2.230 -12.540 503 HA THR 63 HA THR 63 -8.673 -0.367 -13.467 504 HB THR 63 HB THR 63 -8.218 1.514 -15.027 505 HG1 THR 63 HG1 THR 63 -7.939 -0.732 -15.690 506 HG21 THR 63 3HG2 THR 63 -5.286 1.162 -14.283 507 HG22 THR 63 1HG2 THR 63 -6.291 2.559 -13.873 508 HG23 THR 63 2HG2 THR 63 -5.916 2.206 -15.559 509 H HIS 64 H HIS 64 -6.148 0.725 -11.391 510 HA HIS 64 HA HIS 64 -4.524 -1.726 -11.758 511 HB2 HIS 64 1HB HIS 64 -3.842 1.041 -10.716 512 HB3 HIS 64 2HB HIS 64 -2.886 -0.341 -10.188 513 HD1 HIS 64 HD1 HIS 64 -3.838 1.454 -13.389 514 HD2 HIS 64 HD2 HIS 64 -0.978 -1.175 -11.923 515 HE1 HIS 64 HE1 HIS 64 -2.162 1.200 -15.225 516 HE2 HIS 64 HE2 HIS 64 -0.315 -0.155 -14.204 517 H ILE 65 H ILE 65 -7.105 -0.967 -9.997 518 HA ILE 65 HA ILE 65 -6.215 -1.942 -7.398 519 HB ILE 65 HB ILE 65 -9.075 -1.488 -8.373 520 HG12 ILE 65 1HG1 ILE 65 -7.804 0.631 -8.352 521 HG13 ILE 65 2HG1 ILE 65 -8.991 0.632 -7.056 522 HG21 ILE 65 1HG2 ILE 65 -8.018 -1.962 -5.545 523 HG22 ILE 65 2HG2 ILE 65 -8.997 -3.083 -6.493 524 HG23 ILE 65 3HG2 ILE 65 -9.688 -1.553 -5.955 525 HD11 ILE 65 3HD1 ILE 65 -6.889 1.608 -6.364 526 HD12 ILE 65 1HD1 ILE 65 -6.037 0.116 -6.752 527 HD13 ILE 65 2HD1 ILE 65 -7.223 0.143 -5.444 528 H THR 66 H THR 66 -5.388 -3.912 -7.762 529 HA THR 66 HA THR 66 -7.301 -6.101 -8.087 530 HB THR 66 HB THR 66 -6.426 -5.960 -10.365 531 HG1 THR 66 HG1 THR 66 -5.584 -8.051 -10.524 532 HG21 THR 66 3HG2 THR 66 -4.022 -6.192 -10.891 533 HG22 THR 66 1HG2 THR 66 -3.639 -6.142 -9.168 534 HG23 THR 66 2HG2 THR 66 -4.334 -4.723 -9.960 535 H GLY 67 H GLY 67 -6.616 -8.005 -7.098 536 HA2 GLY 67 1HA GLY 67 -5.228 -7.598 -4.651 537 HA3 GLY 67 2HA GLY 67 -5.905 -9.110 -5.234 538 H LYS 68 H LYS 68 -4.134 -8.516 -7.721 539 HA LYS 68 HA LYS 68 -1.872 -10.091 -7.208 540 HB2 LYS 68 1HB LYS 68 -2.810 -9.734 -9.441 541 HB3 LYS 68 2HB LYS 68 -2.480 -8.006 -9.351 542 HG2 LYS 68 1HG LYS 68 -0.047 -8.480 -9.377 543 HG3 LYS 68 2HG LYS 68 -0.398 -10.212 -9.491 544 HD2 LYS 68 1HD LYS 68 -1.562 -9.842 -11.649 545 HD3 LYS 68 2HD LYS 68 -1.229 -8.108 -11.540 546 HE2 LYS 68 1HE LYS 68 1.186 -8.557 -11.651 547 HE3 LYS 68 2HE LYS 68 0.871 -10.293 -11.709 548 HZ1 LYS 68 3HZ LYS 68 -0.296 -9.965 -13.793 549 HZ2 LYS 68 1HZ LYS 68 1.293 -9.403 -13.899 550 HZ3 LYS 68 2HZ LYS 68 0.019 -8.311 -13.731 551 H TYR 69 H TYR 69 -2.347 -6.570 -7.208 552 HA TYR 69 HA TYR 69 0.442 -5.967 -6.574 553 HB2 TYR 69 1HB TYR 69 -1.968 -4.126 -6.867 554 HB3 TYR 69 2HB TYR 69 -0.300 -3.590 -6.696 555 HD1 TYR 69 HD2 TYR 69 0.747 -5.909 -8.658 556 HD2 TYR 69 HD1 TYR 69 -2.256 -2.879 -8.941 557 HE1 TYR 69 HE2 TYR 69 0.966 -5.916 -11.101 558 HE2 TYR 69 HE1 TYR 69 -2.034 -2.888 -11.376 559 HH TYR 69 HH TYR 69 -0.196 -3.495 -13.040 560 H PHE 70 H PHE 70 -2.742 -5.876 -5.037 561 HA PHE 70 HA PHE 70 -1.735 -4.762 -2.544 562 HB2 PHE 70 1HB PHE 70 -4.497 -5.584 -3.520 563 HB3 PHE 70 2HB PHE 70 -4.214 -5.024 -1.874 564 HD1 PHE 70 HD2 PHE 70 -3.523 -2.663 -1.450 565 HD2 PHE 70 HD1 PHE 70 -4.415 -4.008 -5.414 566 HE1 PHE 70 HE2 PHE 70 -3.623 -0.330 -2.225 567 HE2 PHE 70 HE1 PHE 70 -4.505 -1.675 -6.185 568 HZ PHE 70 HZ PHE 70 -4.110 0.172 -4.592 569 H LYS 71 H LYS 71 -1.240 -7.609 -3.706 570 HA LYS 71 HA LYS 71 -2.038 -9.589 -1.903 571 HB2 LYS 71 1HB LYS 71 -1.119 -10.014 -4.138 572 HB3 LYS 71 2HB LYS 71 0.411 -9.280 -3.683 573 HG2 LYS 71 1HG LYS 71 0.833 -11.138 -2.109 574 HG3 LYS 71 2HG LYS 71 -0.706 -11.873 -2.570 575 HD2 LYS 71 1HD LYS 71 1.323 -12.867 -3.701 576 HD3 LYS 71 2HD LYS 71 0.076 -12.303 -4.817 577 HE2 LYS 71 1HE LYS 71 1.362 -10.318 -5.341 578 HE3 LYS 71 2HE LYS 71 2.514 -10.659 -4.050 579 HZ1 LYS 71 3HZ LYS 71 3.231 -12.607 -5.254 580 HZ2 LYS 71 1HZ LYS 71 3.386 -11.222 -6.207 581 HZ3 LYS 71 2HZ LYS 71 2.116 -12.296 -6.482 582 H ASP 72 H ASP 72 1.005 -7.711 -2.045 583 HA ASP 72 HA ASP 72 1.345 -7.704 0.831 584 HB2 ASP 72 1HB ASP 72 3.689 -8.656 0.736 585 HB3 ASP 72 2HB ASP 72 2.428 -9.837 0.435 586 H LEU 73 H LEU 73 3.566 -6.508 1.325 587 HA LEU 73 HA LEU 73 3.370 -3.923 0.172 588 HB2 LEU 73 1HB LEU 73 5.427 -5.165 1.997 589 HB3 LEU 73 2HB LEU 73 5.600 -3.513 1.436 590 HG LEU 73 HG LEU 73 3.356 -4.586 3.179 591 HD11 LEU 73 1HD1 LEU 73 5.555 -4.352 4.288 592 HD12 LEU 73 2HD1 LEU 73 4.373 -3.214 4.907 593 HD13 LEU 73 3HD1 LEU 73 5.623 -2.657 3.794 594 HD21 LEU 73 3HD2 LEU 73 2.505 -2.843 1.663 595 HD22 LEU 73 1HD2 LEU 73 3.820 -1.762 2.136 596 HD23 LEU 73 2HD2 LEU 73 2.594 -2.240 3.316 597 H ASN 74 H ASN 74 5.512 -6.629 -0.565 598 HA ASN 74 HA ASN 74 7.470 -5.135 -1.980 599 HB2 ASN 74 1HB ASN 74 6.652 -8.044 -2.437 600 HB3 ASN 74 2HB ASN 74 8.156 -7.311 -2.958 601 HD21 ASN 74 1HD2 ASN 74 9.666 -6.696 -1.322 602 HD22 ASN 74 2HD2 ASN 74 9.649 -7.440 0.231 603 H ALA 75 H ALA 75 4.465 -6.723 -2.872 604 HA ALA 75 HA ALA 75 4.544 -6.211 -5.696 605 HB1 ALA 75 3HB ALA 75 2.258 -7.113 -5.672 606 HB2 ALA 75 1HB ALA 75 2.225 -7.015 -3.907 607 HB3 ALA 75 2HB ALA 75 3.337 -8.129 -4.707 608 H ILE 76 H ILE 76 3.106 -4.608 -2.869 609 HA ILE 76 HA ILE 76 1.656 -2.542 -4.126 610 HB ILE 76 HB ILE 76 3.126 -2.553 -1.440 611 HG12 ILE 76 1HG1 ILE 76 1.161 -4.109 -1.647 612 HG13 ILE 76 2HG1 ILE 76 0.936 -2.882 -0.407 613 HG21 ILE 76 1HG2 ILE 76 1.819 -0.512 -0.824 614 HG22 ILE 76 2HG2 ILE 76 1.253 -0.393 -2.492 615 HG23 ILE 76 3HG2 ILE 76 2.971 -0.221 -2.128 616 HD11 ILE 76 3HD1 ILE 76 -1.081 -3.267 -1.672 617 HD12 ILE 76 1HD1 ILE 76 -0.263 -2.848 -3.173 618 HD13 ILE 76 2HD1 ILE 76 -0.509 -1.621 -1.924 619 H SER 77 H SER 77 5.026 -2.649 -2.987 620 HA SER 77 HA SER 77 5.658 0.064 -3.487 621 HB2 SER 77 1HB SER 77 6.894 -1.323 -1.845 622 HB3 SER 77 2HB SER 77 7.527 -2.331 -3.143 623 HG SER 77 HG SER 77 8.677 -0.535 -3.910 624 H ARG 78 H ARG 78 6.129 -2.938 -5.287 625 HA ARG 78 HA ARG 78 7.861 -1.862 -7.253 626 HB2 ARG 78 1HB ARG 78 7.818 -3.975 -8.295 627 HB3 ARG 78 2HB ARG 78 7.646 -4.311 -6.579 628 HG2 ARG 78 1HG ARG 78 5.215 -4.639 -6.905 629 HG3 ARG 78 2HG ARG 78 5.422 -4.357 -8.636 630 HD2 ARG 78 1HD ARG 78 6.628 -6.617 -7.005 631 HD3 ARG 78 2HD ARG 78 5.340 -6.749 -8.209 632 HE ARG 78 HE ARG 78 7.818 -5.632 -9.212 633 HH11 ARG 78 1HH1 ARG 78 6.052 -8.617 -8.711 634 HH12 ARG 78 2HH1 ARG 78 6.952 -9.483 -9.916 635 HH21 ARG 78 1HH2 ARG 78 9.033 -6.783 -10.715 636 HH22 ARG 78 2HH2 ARG 78 8.637 -8.441 -11.043 637 H THR 79 H THR 79 4.336 -2.233 -7.047 638 HA THR 79 HA THR 79 3.950 -1.326 -9.779 639 HB THR 79 HB THR 79 2.316 -2.952 -8.615 640 HG1 THR 79 HG1 THR 79 1.750 -0.725 -10.191 641 HG21 THR 79 3HG2 THR 79 1.954 -1.704 -6.507 642 HG22 THR 79 1HG2 THR 79 0.439 -1.932 -7.392 643 HG23 THR 79 2HG2 THR 79 1.249 -0.364 -7.424 644 H VAL 80 H VAL 80 4.213 0.126 -6.587 645 HA VAL 80 HA VAL 80 3.101 2.688 -7.250 646 HB VAL 80 HB VAL 80 5.058 1.814 -5.069 647 HG11 VAL 80 1HG1 VAL 80 4.847 4.069 -4.022 648 HG12 VAL 80 2HG1 VAL 80 3.971 4.643 -5.443 649 HG13 VAL 80 3HG1 VAL 80 5.657 4.146 -5.589 650 HG21 VAL 80 3HG2 VAL 80 3.170 2.259 -3.531 651 HG22 VAL 80 1HG2 VAL 80 2.717 1.092 -4.774 652 HG23 VAL 80 2HG2 VAL 80 2.166 2.763 -4.892 653 H GLU 81 H GLU 81 6.321 1.222 -7.555 654 HA GLU 81 HA GLU 81 7.711 3.479 -8.595 655 HB2 GLU 81 1HB GLU 81 8.194 0.494 -9.009 656 HB3 GLU 81 2HB GLU 81 9.340 1.759 -9.452 657 HG2 GLU 81 1HG GLU 81 9.585 2.404 -7.105 658 HG3 GLU 81 2HG GLU 81 8.368 1.227 -6.626 659 H GLN 82 H GLN 82 5.910 0.834 -10.097 660 HA GLN 82 HA GLN 82 6.268 1.499 -12.833 661 HB2 GLN 82 1HB GLN 82 5.505 -0.722 -12.202 662 HB3 GLN 82 2HB GLN 82 4.100 -0.068 -11.378 663 HG2 GLN 82 1HG GLN 82 3.457 -1.124 -13.477 664 HG3 GLN 82 2HG GLN 82 3.119 0.605 -13.527 665 HE21 GLN 82 1HE2 GLN 82 3.112 0.726 -15.758 666 HE22 GLN 82 2HE2 GLN 82 4.531 0.530 -16.732 667 H LEU 83 H LEU 83 3.814 2.413 -10.476 668 HA LEU 83 HA LEU 83 2.113 3.890 -12.267 669 HB2 LEU 83 1HB LEU 83 2.190 3.318 -9.307 670 HB3 LEU 83 2HB LEU 83 1.285 4.731 -9.810 671 HG LEU 83 HG LEU 83 -0.303 3.442 -11.037 672 HD11 LEU 83 1HD1 LEU 83 1.175 1.872 -12.165 673 HD12 LEU 83 2HD1 LEU 83 -0.163 1.036 -11.396 674 HD13 LEU 83 3HD1 LEU 83 1.430 0.992 -10.656 675 HD21 LEU 83 3HD2 LEU 83 -1.242 1.941 -9.329 676 HD22 LEU 83 1HD2 LEU 83 -0.656 3.442 -8.613 677 HD23 LEU 83 2HD2 LEU 83 0.291 1.960 -8.451 678 H LYS 84 H LYS 84 4.821 4.610 -10.175 679 HA LYS 84 HA LYS 84 4.581 7.463 -10.229 680 HB2 LYS 84 1HB LYS 84 5.918 6.207 -8.514 681 HB3 LYS 84 2HB LYS 84 7.070 5.751 -9.765 682 HG2 LYS 84 1HG LYS 84 7.753 8.067 -10.064 683 HG3 LYS 84 2HG LYS 84 6.467 8.625 -8.989 684 HD2 LYS 84 1HD LYS 84 8.643 8.636 -7.840 685 HD3 LYS 84 2HD LYS 84 7.535 7.490 -7.081 686 HE2 LYS 84 1HE LYS 84 9.765 6.506 -7.244 687 HE3 LYS 84 2HE LYS 84 8.668 5.631 -8.314 688 HZ1 LYS 84 3HZ LYS 84 10.592 7.738 -9.144 689 HZ2 LYS 84 1HZ LYS 84 9.534 6.916 -10.173 690 HZ3 LYS 84 2HZ LYS 84 10.769 6.077 -9.387 691 H ALA 85 H ALA 85 6.125 5.007 -12.256 692 HA ALA 85 HA ALA 85 7.416 6.778 -14.093 693 HB1 ALA 85 3HB ALA 85 7.660 4.776 -15.525 694 HB2 ALA 85 1HB ALA 85 6.547 3.885 -14.481 695 HB3 ALA 85 2HB ALA 85 8.110 4.415 -13.858 696 H GLU 86 H GLU 86 4.251 5.168 -13.988 697 HA GLU 86 HA GLU 86 3.278 6.010 -16.508 698 HB2 GLU 86 1HB GLU 86 1.831 5.145 -13.969 699 HB3 GLU 86 2HB GLU 86 0.984 5.509 -15.471 700 HG2 GLU 86 1HG GLU 86 2.277 3.708 -16.609 701 HG3 GLU 86 2HG GLU 86 3.055 3.327 -15.075 702 H SER 87 H SER 87 3.218 7.516 -13.312 703 HA SER 87 HA SER 87 1.540 9.748 -14.099 704 HB2 SER 87 1HB SER 87 3.121 9.250 -11.541 705 HB3 SER 87 2HB SER 87 1.983 10.576 -11.784 706 HG SER 87 HG SER 87 1.414 7.796 -11.779 707 H ALA 88 H ALA 88 5.012 9.125 -13.847 708 HA ALA 88 HA ALA 88 5.850 11.873 -14.045 709 HB1 ALA 88 3HB ALA 88 7.317 10.161 -13.043 710 HB2 ALA 88 1HB ALA 88 8.112 10.964 -14.398 711 HB3 ALA 88 2HB ALA 88 7.445 9.340 -14.600 712 H LEU 89 H LEU 89 5.241 9.256 -16.330 713 HA LEU 89 HA LEU 89 5.937 10.904 -18.658 714 HB2 LEU 89 1HB LEU 89 5.219 7.964 -18.310 715 HB3 LEU 89 2HB LEU 89 5.263 8.717 -19.894 716 HG LEU 89 HG LEU 89 7.689 9.267 -19.543 717 HD11 LEU 89 1HD1 LEU 89 7.805 9.287 -17.101 718 HD12 LEU 89 2HD1 LEU 89 8.996 8.187 -17.789 719 HD13 LEU 89 3HD1 LEU 89 7.523 7.545 -17.058 720 HD21 LEU 89 3HD2 LEU 89 8.521 6.995 -19.950 721 HD22 LEU 89 1HD2 LEU 89 7.029 7.305 -20.836 722 HD23 LEU 89 2HD2 LEU 89 6.995 6.321 -19.369 723 H GLU 90 H GLU 90 3.357 10.983 -16.738 724 HA GLU 90 HA GLU 90 1.186 10.706 -18.641 725 HB2 GLU 90 1HB GLU 90 0.979 10.316 -16.127 726 HB3 GLU 90 2HB GLU 90 1.108 12.053 -15.896 727 HG2 GLU 90 1HG GLU 90 -1.049 10.854 -17.645 728 HG3 GLU 90 2HG GLU 90 -1.247 10.945 -15.902 729 H282 PNS 101 2H28 PNS 142 -13.105 -1.678 -7.611 730 H281 PNS 101 3H28 PNS 142 -12.189 -2.391 -6.285 731 H303 PNS 101 2H51 PNS 142 -15.444 -3.731 -7.513 732 H302 PNS 101 3H51 PNS 142 -14.750 -4.881 -8.651 733 H301 PNS 101 1H51 PNS 142 -14.673 -3.143 -8.991 734 H313 PNS 101 2H52 PNS 142 -14.075 -4.699 -5.660 735 H312 PNS 101 3H52 PNS 142 -13.370 -5.868 -6.772 736 H311 PNS 101 1H52 PNS 142 -12.311 -4.826 -5.813 737 H32 PNS 101 H32 PNS 142 -12.156 -3.293 -9.239 738 H33 PNS 101 H33 PNS 142 -10.154 -3.955 -8.380 739 H36 PNS 101 H36 PNS 142 -10.973 -6.038 -7.657 740 H372 PNS 101 2H37 PNS 142 -10.421 -7.825 -9.539 741 H371 PNS 101 3H37 PNS 142 -12.138 -8.133 -9.274 742 H382 PNS 101 2H38 PNS 142 -10.706 -9.608 -7.872 743 H381 PNS 101 3H38 PNS 142 -11.737 -8.561 -6.894 744 H41 PNS 101 H41 PNS 142 -10.808 -6.661 -5.952 745 H422 PNS 101 2H42 PNS 142 -7.875 -6.578 -5.559 746 H421 PNS 101 3H42 PNS 142 -8.964 -5.195 -5.472 747 H431 PNS 101 2H43 PNS 142 -9.994 -6.120 -3.425 748 H432 PNS 101 3H43 PNS 142 -8.909 -7.518 -3.515 749 H44 PNS 101 H44 PNS 142 -7.903 -4.264 -3.144 Start of MODEL 13 1 H1 MET 1 1H MET 1 12.341 11.270 -1.767 2 H2 MET 1 2H MET 1 12.513 9.790 -0.978 3 H3 MET 1 3H MET 1 11.621 9.878 -2.402 4 HA MET 1 HA MET 1 13.545 10.402 -3.665 5 HB2 MET 1 1HB MET 1 14.683 11.640 -1.750 6 HB3 MET 1 2HB MET 1 15.137 10.084 -1.081 7 HG2 MET 1 1HG MET 1 15.991 11.031 -3.828 8 HG3 MET 1 2HG MET 1 16.952 11.262 -2.370 9 HE1 MET 1 3HE MET 1 17.989 7.590 -1.460 10 HE2 MET 1 1HE MET 1 16.646 8.504 -0.776 11 HE3 MET 1 2HE MET 1 18.194 9.299 -1.075 12 H ASP 2 H ASP 2 13.603 8.203 -0.873 13 HA ASP 2 HA ASP 2 14.556 5.983 -2.584 14 HB2 ASP 2 1HB ASP 2 14.970 4.851 -0.279 15 HB3 ASP 2 2HB ASP 2 16.071 6.111 -0.799 16 H GLY 3 H GLY 3 13.495 4.113 -2.816 17 HA2 GLY 3 1HA GLY 3 10.627 4.150 -2.562 18 HA3 GLY 3 2HA GLY 3 11.606 2.881 -3.277 19 H GLU 4 H GLU 4 13.151 2.926 -0.594 20 HA GLU 4 HA GLU 4 11.708 0.897 0.797 21 HB2 GLU 4 1HB GLU 4 13.521 1.081 2.489 22 HB3 GLU 4 2HB GLU 4 14.130 0.903 0.845 23 HG2 GLU 4 1HG GLU 4 14.497 3.370 0.751 24 HG3 GLU 4 2HG GLU 4 14.004 3.481 2.441 25 H GLU 5 H GLU 5 11.980 4.400 1.148 26 HA GLU 5 HA GLU 5 10.590 4.771 3.560 27 HB2 GLU 5 1HB GLU 5 11.030 6.476 1.101 28 HB3 GLU 5 2HB GLU 5 9.816 7.012 2.261 29 HG2 GLU 5 1HG GLU 5 12.762 6.598 2.762 30 HG3 GLU 5 2HG GLU 5 11.907 8.137 2.681 31 H VAL 6 H VAL 6 9.459 4.162 0.293 32 HA VAL 6 HA VAL 6 6.694 4.711 0.661 33 HB VAL 6 HB VAL 6 7.939 2.732 -1.309 34 HG11 VAL 6 1HG1 VAL 6 5.985 3.223 -2.750 35 HG12 VAL 6 2HG1 VAL 6 5.306 4.235 -1.471 36 HG13 VAL 6 3HG1 VAL 6 5.518 2.503 -1.206 37 HG21 VAL 6 3HG2 VAL 6 9.104 4.865 -1.536 38 HG22 VAL 6 1HG2 VAL 6 7.569 5.732 -1.674 39 HG23 VAL 6 2HG2 VAL 6 8.067 4.604 -2.938 40 H LYS 7 H LYS 7 8.555 1.675 0.748 41 HA LYS 7 HA LYS 7 6.506 -0.119 1.369 42 HB2 LYS 7 1HB LYS 7 9.505 -0.134 1.756 43 HB3 LYS 7 2HB LYS 7 8.569 -1.414 2.521 44 HG2 LYS 7 1HG LYS 7 7.749 -2.196 0.408 45 HG3 LYS 7 2HG LYS 7 8.409 -0.803 -0.442 46 HD2 LYS 7 1HD LYS 7 10.148 -2.829 0.993 47 HD3 LYS 7 2HD LYS 7 9.672 -2.996 -0.699 48 HE2 LYS 7 1HE LYS 7 11.201 -0.639 0.451 49 HE3 LYS 7 2HE LYS 7 11.922 -1.974 -0.451 50 HZ1 LYS 7 3HZ LYS 7 10.545 -1.328 -2.361 51 HZ2 LYS 7 1HZ LYS 7 11.582 -0.088 -1.875 52 HZ3 LYS 7 2HZ LYS 7 9.941 -0.015 -1.488 53 H GLU 8 H GLU 8 8.654 1.675 3.506 54 HA GLU 8 HA GLU 8 7.817 0.535 5.950 55 HB2 GLU 8 1HB GLU 8 10.034 1.406 5.780 56 HB3 GLU 8 2HB GLU 8 9.504 2.900 5.029 57 HG2 GLU 8 1HG GLU 8 10.337 3.378 7.206 58 HG3 GLU 8 2HG GLU 8 8.595 3.641 7.185 59 H LYS 9 H LYS 9 6.978 3.607 4.316 60 HA LYS 9 HA LYS 9 5.316 4.745 6.275 61 HB2 LYS 9 1HB LYS 9 5.495 5.042 3.271 62 HB3 LYS 9 2HB LYS 9 4.173 5.824 4.120 63 HG2 LYS 9 1HG LYS 9 5.890 7.003 5.539 64 HG3 LYS 9 2HG LYS 9 7.136 6.341 4.470 65 HD2 LYS 9 1HD LYS 9 6.036 7.467 2.531 66 HD3 LYS 9 2HD LYS 9 4.832 8.157 3.628 67 HE2 LYS 9 1HE LYS 9 6.584 9.794 3.093 68 HE3 LYS 9 2HE LYS 9 6.616 9.379 4.808 69 HZ1 LYS 9 3HZ LYS 9 8.398 8.191 2.758 70 HZ2 LYS 9 1HZ LYS 9 8.474 7.931 4.428 71 HZ3 LYS 9 2HZ LYS 9 8.827 9.457 3.783 72 H ILE 10 H ILE 10 4.408 2.782 3.428 73 HA ILE 10 HA ILE 10 1.613 2.892 3.868 74 HB ILE 10 HB ILE 10 3.215 0.817 2.300 75 HG12 ILE 10 1HG1 ILE 10 1.773 3.305 1.258 76 HG13 ILE 10 2HG1 ILE 10 3.508 3.230 1.557 77 HG21 ILE 10 1HG2 ILE 10 0.231 1.446 2.150 78 HG22 ILE 10 2HG2 ILE 10 0.948 -0.033 2.792 79 HG23 ILE 10 3HG2 ILE 10 1.099 0.345 1.077 80 HD11 ILE 10 3HD1 ILE 10 3.019 2.969 -0.788 81 HD12 ILE 10 1HD1 ILE 10 1.983 1.581 -0.460 82 HD13 ILE 10 2HD1 ILE 10 3.721 1.482 -0.153 83 H ARG 11 H ARG 11 4.123 0.591 4.879 84 HA ARG 11 HA ARG 11 2.370 -1.499 5.685 85 HB2 ARG 11 1HB ARG 11 4.293 -2.720 6.068 86 HB3 ARG 11 2HB ARG 11 4.970 -1.478 5.056 87 HG2 ARG 11 1HG ARG 11 6.576 -1.675 6.680 88 HG3 ARG 11 2HG ARG 11 5.619 -0.337 7.317 89 HD2 ARG 11 1HD ARG 11 4.861 -1.564 9.121 90 HD3 ARG 11 2HD ARG 11 4.794 -3.061 8.205 91 HE ARG 11 HE ARG 11 6.718 -3.618 9.213 92 HH11 ARG 11 1HH1 ARG 11 6.888 -0.139 8.811 93 HH12 ARG 11 2HH1 ARG 11 8.454 -0.018 9.514 94 HH21 ARG 11 1HH2 ARG 11 8.752 -3.436 10.179 95 HH22 ARG 11 2HH2 ARG 11 9.521 -1.887 10.292 96 H ARG 12 H ARG 12 3.654 1.337 7.231 97 HA ARG 12 HA ARG 12 2.783 0.643 9.875 98 HB2 ARG 12 1HB ARG 12 3.958 3.149 8.630 99 HB3 ARG 12 2HB ARG 12 3.363 3.161 10.273 100 HG2 ARG 12 1HG ARG 12 5.739 1.676 9.139 101 HG3 ARG 12 2HG ARG 12 5.687 2.810 10.494 102 HD2 ARG 12 1HD ARG 12 4.320 1.129 11.759 103 HD3 ARG 12 2HD ARG 12 4.564 -0.005 10.423 104 HE ARG 12 HE ARG 12 7.066 0.911 11.378 105 HH11 ARG 12 1HH1 ARG 12 4.392 -1.141 12.319 106 HH12 ARG 12 2HH1 ARG 12 5.359 -2.175 13.306 107 HH21 ARG 12 1HH2 ARG 12 8.358 -0.513 12.692 108 HH22 ARG 12 2HH2 ARG 12 7.594 -1.830 13.521 109 H TYR 13 H TYR 13 1.628 2.693 7.260 110 HA TYR 13 HA TYR 13 -0.506 3.933 8.629 111 HB2 TYR 13 1HB TYR 13 0.408 4.728 6.459 112 HB3 TYR 13 2HB TYR 13 -0.286 3.316 5.652 113 HD1 TYR 13 HD1 TYR 13 -1.397 6.113 7.944 114 HD2 TYR 13 HD2 TYR 13 -2.377 3.630 4.617 115 HE1 TYR 13 HE1 TYR 13 -3.494 7.325 7.663 116 HE2 TYR 13 HE2 TYR 13 -4.478 4.839 4.323 117 HH TYR 13 HH TYR 13 -6.024 6.172 5.744 118 H ILE 14 H ILE 14 -0.297 0.841 6.951 119 HA ILE 14 HA ILE 14 -3.017 0.092 6.979 120 HB ILE 14 HB ILE 14 -0.508 -1.639 7.136 121 HG12 ILE 14 1HG1 ILE 14 -2.224 -1.167 4.661 122 HG13 ILE 14 2HG1 ILE 14 -0.895 -0.089 5.076 123 HG21 ILE 14 1HG2 ILE 14 -3.339 -2.527 6.458 124 HG22 ILE 14 2HG2 ILE 14 -2.441 -2.950 7.918 125 HG23 ILE 14 3HG2 ILE 14 -1.894 -3.533 6.346 126 HD11 ILE 14 3HD1 ILE 14 -0.667 -3.038 4.494 127 HD12 ILE 14 1HD1 ILE 14 0.664 -1.971 4.967 128 HD13 ILE 14 2HD1 ILE 14 -0.189 -1.701 3.445 129 H MET 15 H MET 15 -0.495 -0.014 9.460 130 HA MET 15 HA MET 15 -2.010 -1.518 11.400 131 HB2 MET 15 1HB MET 15 0.472 0.203 11.791 132 HB3 MET 15 2HB MET 15 -0.136 -1.001 12.922 133 HG2 MET 15 1HG MET 15 0.320 -2.766 11.289 134 HG3 MET 15 2HG MET 15 0.898 -1.570 10.135 135 HE1 MET 15 3HE MET 15 3.051 -2.514 14.105 136 HE2 MET 15 1HE MET 15 1.533 -3.268 13.614 137 HE3 MET 15 2HE MET 15 1.573 -1.553 14.031 138 H GLU 16 H GLU 16 -1.531 1.882 10.650 139 HA GLU 16 HA GLU 16 -2.470 2.911 13.183 140 HB2 GLU 16 1HB GLU 16 -1.954 4.392 10.574 141 HB3 GLU 16 2HB GLU 16 -2.236 5.141 12.139 142 HG2 GLU 16 1HG GLU 16 0.167 3.509 11.293 143 HG3 GLU 16 2HG GLU 16 0.107 5.239 11.620 144 H ASP 17 H ASP 17 -3.718 3.007 9.854 145 HA ASP 17 HA ASP 17 -6.177 4.306 10.752 146 HB2 ASP 17 1HB ASP 17 -4.922 5.287 8.885 147 HB3 ASP 17 2HB ASP 17 -5.052 3.783 7.982 148 H LEU 18 H LEU 18 -5.212 1.479 8.812 149 HA LEU 18 HA LEU 18 -7.897 0.568 8.332 150 HB2 LEU 18 1HB LEU 18 -5.178 -0.714 7.836 151 HB3 LEU 18 2HB LEU 18 -6.682 -1.535 7.464 152 HG LEU 18 HG LEU 18 -7.234 0.173 5.763 153 HD11 LEU 18 1HD1 LEU 18 -6.172 2.166 6.689 154 HD12 LEU 18 2HD1 LEU 18 -5.640 1.887 5.031 155 HD13 LEU 18 3HD1 LEU 18 -4.574 1.480 6.380 156 HD21 LEU 18 3HD2 LEU 18 -4.468 -0.999 5.384 157 HD22 LEU 18 1HD2 LEU 18 -5.545 -0.440 4.101 158 HD23 LEU 18 2HD2 LEU 18 -6.003 -1.823 5.091 159 H ILE 19 H ILE 19 -5.187 -0.887 10.112 160 HA ILE 19 HA ILE 19 -6.917 -2.749 11.553 161 HB ILE 19 HB ILE 19 -3.871 -2.485 11.532 162 HG12 ILE 19 1HG1 ILE 19 -5.633 -4.389 9.926 163 HG13 ILE 19 2HG1 ILE 19 -4.707 -3.044 9.267 164 HG21 ILE 19 1HG2 ILE 19 -5.527 -4.828 12.509 165 HG22 ILE 19 2HG2 ILE 19 -4.680 -3.677 13.540 166 HG23 ILE 19 3HG2 ILE 19 -3.762 -4.744 12.476 167 HD11 ILE 19 3HD1 ILE 19 -3.587 -5.117 8.811 168 HD12 ILE 19 1HD1 ILE 19 -3.595 -5.559 10.518 169 HD13 ILE 19 2HD1 ILE 19 -2.627 -4.191 9.959 170 H GLY 20 H GLY 20 -6.506 -2.990 13.943 171 HA2 GLY 20 1HA GLY 20 -5.676 -0.546 15.363 172 HA3 GLY 20 2HA GLY 20 -7.293 -1.185 15.628 173 HA PRO 21 HA PRO 21 -5.920 -3.677 18.889 174 HB2 PRO 21 1HB PRO 21 -7.336 -6.029 18.730 175 HB3 PRO 21 2HB PRO 21 -8.110 -4.461 19.041 176 HG2 PRO 21 1HG PRO 21 -7.942 -5.996 16.474 177 HG3 PRO 21 2HG PRO 21 -9.315 -5.095 17.158 178 HD2 PRO 21 1HD PRO 21 -7.664 -4.105 15.190 179 HD3 PRO 21 2HD PRO 21 -8.565 -3.073 16.323 180 H SER 22 H SER 22 -5.795 -5.799 15.979 181 HA SER 22 HA SER 22 -3.527 -7.293 17.133 182 HB2 SER 22 1HB SER 22 -5.551 -8.538 16.268 183 HB3 SER 22 2HB SER 22 -5.182 -7.946 14.661 184 HG SER 22 HG SER 22 -2.951 -8.959 15.345 185 H ALA 23 H ALA 23 -2.200 -5.375 16.820 186 HA ALA 23 HA ALA 23 -0.717 -5.599 14.327 187 HB1 ALA 23 3HB ALA 23 -1.781 -2.890 15.197 188 HB2 ALA 23 1HB ALA 23 -2.293 -3.800 13.773 189 HB3 ALA 23 2HB ALA 23 -0.643 -3.192 13.879 190 H LYS 24 H LYS 24 0.502 -6.644 15.997 191 HA LYS 24 HA LYS 24 1.964 -5.302 18.030 192 HB2 LYS 24 1HB LYS 24 1.443 -7.802 17.763 193 HB3 LYS 24 2HB LYS 24 2.726 -7.851 16.562 194 HG2 LYS 24 1HG LYS 24 4.398 -7.398 18.190 195 HG3 LYS 24 2HG LYS 24 3.203 -6.906 19.392 196 HD2 LYS 24 1HD LYS 24 2.354 -9.239 19.485 197 HD3 LYS 24 2HD LYS 24 3.582 -9.727 18.313 198 HE2 LYS 24 1HE LYS 24 4.260 -8.483 21.000 199 HE3 LYS 24 2HE LYS 24 4.127 -10.225 20.751 200 HZ1 LYS 24 3HZ LYS 24 5.895 -10.140 19.163 201 HZ2 LYS 24 1HZ LYS 24 6.416 -9.394 20.587 202 HZ3 LYS 24 2HZ LYS 24 5.974 -8.456 19.251 203 H GLU 25 H GLU 25 4.473 -5.233 17.901 204 HA GLU 25 HA GLU 25 4.990 -2.931 16.516 205 HB2 GLU 25 1HB GLU 25 7.248 -3.080 17.214 206 HB3 GLU 25 2HB GLU 25 6.281 -3.836 18.470 207 HG2 GLU 25 1HG GLU 25 7.836 -5.316 16.344 208 HG3 GLU 25 2HG GLU 25 8.423 -5.022 17.971 209 H ASP 26 H ASP 26 5.498 -6.150 15.284 210 HA ASP 26 HA ASP 26 5.925 -5.102 12.585 211 HB2 ASP 26 1HB ASP 26 7.955 -6.749 14.113 212 HB3 ASP 26 2HB ASP 26 7.781 -7.046 12.386 213 H GLU 27 H GLU 27 3.616 -6.203 13.650 214 HA GLU 27 HA GLU 27 3.279 -8.908 12.777 215 HB2 GLU 27 1HB GLU 27 1.477 -6.757 13.788 216 HB3 GLU 27 2HB GLU 27 0.702 -7.762 12.564 217 HG2 GLU 27 1HG GLU 27 1.441 -9.771 13.970 218 HG3 GLU 27 2HG GLU 27 1.839 -8.605 15.226 219 H LEU 28 H LEU 28 2.999 -5.741 11.317 220 HA LEU 28 HA LEU 28 2.296 -6.861 8.707 221 HB2 LEU 28 1HB LEU 28 2.389 -4.023 9.801 222 HB3 LEU 28 2HB LEU 28 2.282 -4.327 8.081 223 HG LEU 28 HG LEU 28 0.057 -3.841 9.012 224 HD11 LEU 28 1HD1 LEU 28 0.162 -5.337 7.091 225 HD12 LEU 28 2HD1 LEU 28 -1.190 -5.745 8.142 226 HD13 LEU 28 3HD1 LEU 28 0.268 -6.744 8.160 227 HD21 LEU 28 3HD2 LEU 28 0.394 -4.624 11.317 228 HD22 LEU 28 1HD2 LEU 28 0.405 -6.300 10.758 229 HD23 LEU 28 2HD2 LEU 28 -1.062 -5.323 10.615 230 H ASP 29 H ASP 29 3.825 -7.399 7.423 231 HA ASP 29 HA ASP 29 6.533 -6.163 7.473 232 HB2 ASP 29 1HB ASP 29 5.730 -9.095 7.070 233 HB3 ASP 29 2HB ASP 29 7.342 -8.483 6.728 234 H ASP 30 H ASP 30 7.695 -6.916 5.384 235 HA ASP 30 HA ASP 30 6.398 -5.796 3.132 236 HB2 ASP 30 1HB ASP 30 8.961 -7.442 3.250 237 HB3 ASP 30 2HB ASP 30 8.465 -6.383 1.931 238 H GLN 31 H GLN 31 6.733 -9.045 4.367 239 HA GLN 31 HA GLN 31 5.595 -10.221 1.887 240 HB2 GLN 31 1HB GLN 31 7.722 -11.302 3.769 241 HB3 GLN 31 2HB GLN 31 6.772 -12.391 2.766 242 HG2 GLN 31 1HG GLN 31 8.321 -10.084 1.568 243 HG3 GLN 31 2HG GLN 31 9.069 -11.640 1.894 244 HE21 GLN 31 1HE2 GLN 31 5.696 -11.478 0.710 245 HE22 GLN 31 2HE2 GLN 31 6.061 -12.109 -0.849 246 H THR 32 H THR 32 4.403 -9.109 4.438 247 HA THR 32 HA THR 32 2.927 -11.315 5.534 248 HB THR 32 HB THR 32 2.606 -8.308 5.712 249 HG1 THR 32 HG1 THR 32 3.099 -10.016 7.873 250 HG21 THR 32 3HG2 THR 32 0.911 -8.676 7.486 251 HG22 THR 32 1HG2 THR 32 0.949 -10.414 7.165 252 HG23 THR 32 2HG2 THR 32 0.336 -9.301 5.941 253 HA PRO 33 HA PRO 33 0.032 -11.505 2.009 254 HB2 PRO 33 1HB PRO 33 -1.627 -13.422 3.029 255 HB3 PRO 33 2HB PRO 33 0.011 -13.817 2.457 256 HG2 PRO 33 1HG PRO 33 -0.921 -13.308 5.277 257 HG3 PRO 33 2HG PRO 33 0.087 -14.640 4.660 258 HD2 PRO 33 1HD PRO 33 1.189 -12.475 5.854 259 HD3 PRO 33 2HD PRO 33 2.001 -13.306 4.504 260 H LEU 34 H LEU 34 -0.608 -9.326 2.451 261 HA LEU 34 HA LEU 34 -2.230 -8.407 4.548 262 HB2 LEU 34 1HB LEU 34 -1.980 -7.234 1.748 263 HB3 LEU 34 2HB LEU 34 -2.470 -6.371 3.207 264 HG LEU 34 HG LEU 34 0.314 -7.506 2.679 265 HD11 LEU 34 1HD1 LEU 34 1.047 -5.187 2.558 266 HD12 LEU 34 2HD1 LEU 34 -0.620 -4.633 2.741 267 HD13 LEU 34 3HD1 LEU 34 -0.145 -5.561 1.314 268 HD21 LEU 34 3HD2 LEU 34 1.016 -6.386 4.740 269 HD22 LEU 34 1HD2 LEU 34 -0.217 -7.601 5.069 270 HD23 LEU 34 2HD2 LEU 34 -0.649 -5.890 5.061 271 H LEU 35 H LEU 35 -3.038 -9.352 1.234 272 HA LEU 35 HA LEU 35 -5.792 -8.694 1.355 273 HB2 LEU 35 1HB LEU 35 -4.309 -8.960 -0.717 274 HB3 LEU 35 2HB LEU 35 -4.534 -10.692 -0.546 275 HG LEU 35 HG LEU 35 -6.997 -10.391 -0.819 276 HD11 LEU 35 1HD1 LEU 35 -6.319 -7.457 -1.240 277 HD12 LEU 35 2HD1 LEU 35 -7.236 -8.142 0.106 278 HD13 LEU 35 3HD1 LEU 35 -7.900 -8.196 -1.526 279 HD21 LEU 35 3HD2 LEU 35 -5.637 -10.881 -2.792 280 HD22 LEU 35 1HD2 LEU 35 -5.358 -9.156 -3.053 281 HD23 LEU 35 2HD2 LEU 35 -6.986 -9.828 -3.211 282 H GLU 36 H GLU 36 -3.976 -11.589 2.114 283 HA GLU 36 HA GLU 36 -6.191 -13.416 2.294 284 HB2 GLU 36 1HB GLU 36 -3.396 -13.676 3.482 285 HB3 GLU 36 2HB GLU 36 -4.539 -14.989 3.199 286 HG2 GLU 36 1HG GLU 36 -3.205 -13.294 1.060 287 HG3 GLU 36 2HG GLU 36 -2.756 -14.940 1.494 288 H TRP 37 H TRP 37 -4.501 -11.261 4.491 289 HA TRP 37 HA TRP 37 -5.830 -12.022 6.910 290 HB2 TRP 37 1HB TRP 37 -4.397 -9.488 6.022 291 HB3 TRP 37 2HB TRP 37 -5.195 -9.577 7.586 292 HD1 TRP 37 HD1 TRP 37 -3.265 -12.677 6.387 293 HE1 TRP 37 HE1 TRP 37 -1.191 -12.959 7.878 294 HE3 TRP 37 HE3 TRP 37 -3.479 -8.243 8.951 295 HZ2 TRP 37 HZ2 TRP 37 0.182 -11.514 9.867 296 HZ3 TRP 37 HZ3 TRP 37 -1.738 -7.767 10.633 297 HH2 TRP 37 HH2 TRP 37 0.058 -9.374 11.082 298 H GLY 38 H GLY 38 -6.816 -10.264 4.107 299 HA2 GLY 38 1HA GLY 38 -8.846 -9.434 3.443 300 HA3 GLY 38 2HA GLY 38 -9.544 -10.012 4.950 301 H ILE 39 H ILE 39 -6.794 -7.985 5.201 302 HA ILE 39 HA ILE 39 -8.284 -5.891 6.540 303 HB ILE 39 HB ILE 39 -6.050 -4.871 6.973 304 HG12 ILE 39 1HG1 ILE 39 -4.986 -7.171 5.261 305 HG13 ILE 39 2HG1 ILE 39 -4.855 -5.459 4.904 306 HG21 ILE 39 1HG2 ILE 39 -6.933 -6.548 8.536 307 HG22 ILE 39 2HG2 ILE 39 -5.177 -6.662 8.447 308 HG23 ILE 39 3HG2 ILE 39 -6.179 -7.849 7.610 309 HD11 ILE 39 3HD1 ILE 39 -3.366 -5.206 6.852 310 HD12 ILE 39 1HD1 ILE 39 -2.749 -6.324 5.638 311 HD13 ILE 39 2HD1 ILE 39 -3.468 -6.947 7.120 312 H LEU 40 H LEU 40 -7.351 -6.513 3.319 313 HA LEU 40 HA LEU 40 -7.520 -3.659 2.520 314 HB2 LEU 40 1HB LEU 40 -6.356 -6.007 0.958 315 HB3 LEU 40 2HB LEU 40 -6.411 -4.336 0.415 316 HG LEU 40 HG LEU 40 -4.734 -5.443 2.704 317 HD11 LEU 40 1HD1 LEU 40 -3.844 -5.945 0.493 318 HD12 LEU 40 2HD1 LEU 40 -2.830 -4.773 1.328 319 HD13 LEU 40 3HD1 LEU 40 -3.918 -4.236 0.044 320 HD21 LEU 40 3HD2 LEU 40 -5.000 -2.544 1.800 321 HD22 LEU 40 1HD2 LEU 40 -3.825 -3.162 2.968 322 HD23 LEU 40 2HD2 LEU 40 -5.542 -3.219 3.342 323 H ASN 41 H ASN 41 -9.849 -3.886 2.800 324 HA ASN 41 HA ASN 41 -11.327 -5.255 0.674 325 HB2 ASN 41 1HB ASN 41 -12.326 -3.399 2.890 326 HB3 ASN 41 2HB ASN 41 -13.348 -4.305 1.776 327 HD21 ASN 41 1HD2 ASN 41 -11.260 -4.513 4.568 328 HD22 ASN 41 2HD2 ASN 41 -11.672 -6.136 5.002 329 H SER 42 H SER 42 -12.710 -4.069 -0.801 330 HA SER 42 HA SER 42 -11.464 -1.922 -2.130 331 HB2 SER 42 2HB SER 42 -12.971 -3.463 -3.285 332 HB3 SER 42 1HB SER 42 -14.342 -2.896 -2.314 333 H MET 43 H MET 43 -13.638 -1.883 0.595 334 HA MET 43 HA MET 43 -14.458 0.855 0.414 335 HB2 MET 43 1HB MET 43 -14.554 -1.187 2.652 336 HB3 MET 43 2HB MET 43 -15.097 0.466 2.894 337 HG2 MET 43 1HG MET 43 -16.263 -1.191 0.661 338 HG3 MET 43 2HG MET 43 -16.844 -1.379 2.310 339 HE1 MET 43 3HE MET 43 -16.953 0.817 -0.936 340 HE2 MET 43 1HE MET 43 -15.913 1.884 0.003 341 HE3 MET 43 2HE MET 43 -17.573 2.362 -0.360 342 H ASN 44 H ASN 44 -11.941 -0.812 2.374 343 HA ASN 44 HA ASN 44 -11.088 1.750 3.524 344 HB2 ASN 44 1HB ASN 44 -9.649 0.476 5.029 345 HB3 ASN 44 2HB ASN 44 -11.268 -0.211 5.035 346 HD21 ASN 44 1HD2 ASN 44 -7.989 -0.658 3.801 347 HD22 ASN 44 2HD2 ASN 44 -8.118 -2.364 3.572 348 H ILE 45 H ILE 45 -10.226 -0.091 0.796 349 HA ILE 45 HA ILE 45 -7.398 0.293 0.771 350 HB ILE 45 HB ILE 45 -8.637 -1.403 -0.615 351 HG12 ILE 45 1HG1 ILE 45 -6.832 0.451 -2.231 352 HG13 ILE 45 2HG1 ILE 45 -6.257 -0.774 -1.103 353 HG21 ILE 45 1HG2 ILE 45 -9.663 -0.737 -2.764 354 HG22 ILE 45 2HG2 ILE 45 -9.372 0.963 -2.386 355 HG23 ILE 45 3HG2 ILE 45 -10.493 0.023 -1.404 356 HD11 ILE 45 3HD1 ILE 45 -6.070 -1.557 -3.356 357 HD12 ILE 45 1HD1 ILE 45 -7.778 -1.248 -3.653 358 HD13 ILE 45 2HD1 ILE 45 -7.291 -2.501 -2.510 359 H VAL 46 H VAL 46 -10.087 2.322 -0.177 360 HA VAL 46 HA VAL 46 -8.754 4.201 -1.819 361 HB VAL 46 HB VAL 46 -10.685 5.690 -1.398 362 HG11 VAL 46 1HG1 VAL 46 -10.952 3.920 -3.084 363 HG12 VAL 46 2HG1 VAL 46 -12.487 4.201 -2.258 364 HG13 VAL 46 3HG1 VAL 46 -11.509 2.789 -1.845 365 HG21 VAL 46 3HG2 VAL 46 -12.535 4.997 0.134 366 HG22 VAL 46 1HG2 VAL 46 -11.033 5.330 1.004 367 HG23 VAL 46 2HG2 VAL 46 -11.529 3.665 0.707 368 H LYS 47 H LYS 47 -8.893 3.759 1.607 369 HA LYS 47 HA LYS 47 -8.008 6.310 2.516 370 HB2 LYS 47 1HB LYS 47 -7.553 3.649 3.939 371 HB3 LYS 47 2HB LYS 47 -7.746 5.234 4.665 372 HG2 LYS 47 1HG LYS 47 -10.000 3.939 3.118 373 HG3 LYS 47 2HG LYS 47 -9.704 3.516 4.800 374 HD2 LYS 47 1HD LYS 47 -10.155 6.385 3.904 375 HD3 LYS 47 2HD LYS 47 -11.488 5.306 4.318 376 HE2 LYS 47 1HE LYS 47 -11.064 6.516 6.313 377 HE3 LYS 47 2HE LYS 47 -10.291 4.953 6.571 378 HZ1 LYS 47 3HZ LYS 47 -8.923 7.462 5.794 379 HZ2 LYS 47 1HZ LYS 47 -8.185 5.954 5.999 380 HZ3 LYS 47 2HZ LYS 47 -8.898 6.727 7.315 381 H LEU 48 H LEU 48 -6.412 3.317 1.478 382 HA LEU 48 HA LEU 48 -3.721 4.146 1.944 383 HB2 LEU 48 1HB LEU 48 -4.901 2.001 0.138 384 HB3 LEU 48 2HB LEU 48 -3.173 2.296 0.238 385 HG LEU 48 HG LEU 48 -4.947 1.388 2.538 386 HD11 LEU 48 1HD1 LEU 48 -2.884 -0.173 0.951 387 HD12 LEU 48 2HD1 LEU 48 -4.636 -0.373 0.853 388 HD13 LEU 48 3HD1 LEU 48 -3.791 -0.757 2.350 389 HD21 LEU 48 3HD2 LEU 48 -1.925 1.734 2.473 390 HD22 LEU 48 1HD2 LEU 48 -2.879 1.106 3.823 391 HD23 LEU 48 2HD2 LEU 48 -3.062 2.785 3.321 392 H MET 49 H MET 49 -5.841 4.194 -0.958 393 HA MET 49 HA MET 49 -4.024 4.996 -2.903 394 HB2 MET 49 1HB MET 49 -6.944 5.838 -2.648 395 HB3 MET 49 2HB MET 49 -5.986 5.980 -4.121 396 HG2 MET 49 1HG MET 49 -5.807 3.584 -4.298 397 HG3 MET 49 2HG MET 49 -6.599 3.368 -2.730 398 HE1 MET 49 3HE MET 49 -9.340 2.056 -5.083 399 HE2 MET 49 1HE MET 49 -8.453 1.806 -3.577 400 HE3 MET 49 2HE MET 49 -7.594 1.803 -5.123 401 H VAL 50 H VAL 50 -5.985 7.050 -0.791 402 HA VAL 50 HA VAL 50 -5.041 9.554 -1.773 403 HB VAL 50 HB VAL 50 -6.170 10.603 0.115 404 HG11 VAL 50 1HG1 VAL 50 -7.844 8.294 -0.959 405 HG12 VAL 50 2HG1 VAL 50 -7.599 9.852 -1.754 406 HG13 VAL 50 3HG1 VAL 50 -8.477 9.773 -0.225 407 HG21 VAL 50 3HG2 VAL 50 -6.539 7.823 1.303 408 HG22 VAL 50 1HG2 VAL 50 -7.233 9.313 1.951 409 HG23 VAL 50 2HG2 VAL 50 -5.482 9.084 1.937 410 H TYR 51 H TYR 51 -3.926 7.393 0.813 411 HA TYR 51 HA TYR 51 -2.128 9.136 2.132 412 HB2 TYR 51 1HB TYR 51 -2.894 7.014 3.149 413 HB3 TYR 51 2HB TYR 51 -2.057 6.093 1.903 414 HD1 TYR 51 HD1 TYR 51 -1.473 8.479 4.730 415 HD2 TYR 51 HD2 TYR 51 0.270 5.481 2.216 416 HE1 TYR 51 HE1 TYR 51 0.528 8.449 6.152 417 HE2 TYR 51 HE2 TYR 51 2.271 5.448 3.635 418 HH TYR 51 HH TYR 51 3.418 7.057 5.250 419 H ILE 52 H ILE 52 -1.616 6.697 -0.402 420 HA ILE 52 HA ILE 52 1.134 7.238 -0.832 421 HB ILE 52 HB ILE 52 -0.937 5.794 -2.539 422 HG12 ILE 52 1HG1 ILE 52 0.561 3.777 -2.052 423 HG13 ILE 52 2HG1 ILE 52 1.482 4.795 -0.960 424 HG21 ILE 52 1HG2 ILE 52 0.629 6.799 -4.128 425 HG22 ILE 52 2HG2 ILE 52 0.864 5.054 -4.073 426 HG23 ILE 52 3HG2 ILE 52 2.004 6.125 -3.247 427 HD11 ILE 52 3HD1 ILE 52 -0.039 3.328 0.213 428 HD12 ILE 52 1HD1 ILE 52 -1.412 4.020 -0.654 429 HD13 ILE 52 2HD1 ILE 52 -0.483 5.017 0.470 430 H ARG 53 H ARG 53 -1.826 8.613 -2.158 431 HA ARG 53 HA ARG 53 -0.617 10.090 -4.283 432 HB2 ARG 53 1HB ARG 53 -3.004 9.428 -4.251 433 HB3 ARG 53 2HB ARG 53 -3.292 10.522 -2.901 434 HG2 ARG 53 1HG ARG 53 -2.687 12.445 -4.356 435 HG3 ARG 53 2HG ARG 53 -2.426 11.331 -5.701 436 HD2 ARG 53 1HD ARG 53 -4.636 12.441 -5.811 437 HD3 ARG 53 2HD ARG 53 -4.777 10.685 -5.669 438 HE ARG 53 HE ARG 53 -4.876 11.770 -3.086 439 HH11 ARG 53 1HH1 ARG 53 -6.859 11.796 -5.966 440 HH12 ARG 53 2HH1 ARG 53 -8.336 12.007 -5.084 441 HH21 ARG 53 1HH2 ARG 53 -6.806 12.048 -1.950 442 HH22 ARG 53 2HH2 ARG 53 -8.307 12.150 -2.813 443 H ASP 54 H ASP 54 -0.903 10.702 -0.864 444 HA ASP 54 HA ASP 54 -0.293 13.565 -1.174 445 HB2 ASP 54 1HB ASP 54 -2.020 12.791 0.500 446 HB3 ASP 54 2HB ASP 54 -0.740 11.968 1.386 447 H GLU 55 H GLU 55 1.001 10.760 0.593 448 HA GLU 55 HA GLU 55 3.412 12.011 1.436 449 HB2 GLU 55 1HB GLU 55 2.580 9.087 1.421 450 HB3 GLU 55 2HB GLU 55 4.018 9.699 2.236 451 HG2 GLU 55 1HG GLU 55 1.160 10.498 2.885 452 HG3 GLU 55 2HG GLU 55 2.116 9.315 3.777 453 H MET 56 H MET 56 2.731 9.587 -1.093 454 HA MET 56 HA MET 56 5.485 9.743 -2.110 455 HB2 MET 56 1HB MET 56 3.221 7.812 -2.494 456 HB3 MET 56 2HB MET 56 4.330 7.986 -3.845 457 HG2 MET 56 1HG MET 56 4.920 6.107 -2.369 458 HG3 MET 56 2HG MET 56 6.190 7.315 -2.477 459 HE1 MET 56 3HE MET 56 2.879 7.365 -0.294 460 HE2 MET 56 1HE MET 56 3.498 6.742 1.237 461 HE3 MET 56 2HE MET 56 3.434 5.691 -0.180 462 H GLY 57 H GLY 57 2.319 10.979 -2.793 463 HA2 GLY 57 1HA GLY 57 1.643 12.610 -4.286 464 HA3 GLY 57 2HA GLY 57 3.237 12.597 -5.020 465 H VAL 58 H VAL 58 1.690 9.530 -4.684 466 HA VAL 58 HA VAL 58 1.430 9.353 -7.638 467 HB VAL 58 HB VAL 58 2.018 7.125 -5.636 468 HG11 VAL 58 1HG1 VAL 58 2.560 5.738 -7.620 469 HG12 VAL 58 2HG1 VAL 58 2.080 7.065 -8.678 470 HG13 VAL 58 3HG1 VAL 58 0.880 6.283 -7.648 471 HG21 VAL 58 3HG2 VAL 58 4.341 7.142 -6.487 472 HG22 VAL 58 1HG2 VAL 58 3.917 8.682 -5.729 473 HG23 VAL 58 2HG2 VAL 58 3.966 8.545 -7.489 474 H SER 59 H SER 59 -0.639 9.196 -8.316 475 HA SER 59 HA SER 59 -2.781 8.161 -6.636 476 HB2 SER 59 1HB SER 59 -4.176 8.625 -8.722 477 HB3 SER 59 2HB SER 59 -3.341 10.031 -8.063 478 HG SER 59 HG SER 59 -2.189 8.474 -10.135 479 H ILE 60 H ILE 60 -3.330 6.009 -6.571 480 HA ILE 60 HA ILE 60 -2.174 4.134 -8.498 481 HB ILE 60 HB ILE 60 -3.908 3.505 -6.058 482 HG12 ILE 60 1HG1 ILE 60 -0.852 3.466 -6.251 483 HG13 ILE 60 2HG1 ILE 60 -1.779 4.695 -5.400 484 HG21 ILE 60 1HG2 ILE 60 -3.029 1.216 -6.280 485 HG22 ILE 60 2HG2 ILE 60 -2.064 1.693 -7.680 486 HG23 ILE 60 3HG2 ILE 60 -3.827 1.702 -7.778 487 HD11 ILE 60 3HD1 ILE 60 -0.835 3.092 -3.848 488 HD12 ILE 60 1HD1 ILE 60 -1.632 1.759 -4.687 489 HD13 ILE 60 2HD1 ILE 60 -2.595 2.970 -3.834 490 HA PRO 61 HA PRO 61 -6.228 4.455 -10.662 491 HB2 PRO 61 1HB PRO 61 -5.465 3.413 -13.037 492 HB3 PRO 61 2HB PRO 61 -4.838 4.994 -12.518 493 HG2 PRO 61 1HG PRO 61 -3.503 2.283 -12.257 494 HG3 PRO 61 2HG PRO 61 -2.840 3.794 -12.949 495 HD2 PRO 61 1HD PRO 61 -2.348 3.044 -10.383 496 HD3 PRO 61 2HD PRO 61 -2.483 4.756 -10.853 497 H SER 62 H SER 62 -7.814 2.941 -11.455 498 HA SER 62 HA SER 62 -8.045 0.601 -9.880 499 HB2 SER 62 1HB SER 62 -10.189 0.285 -11.304 500 HB3 SER 62 2HB SER 62 -10.055 1.760 -10.345 501 HG SER 62 HG SER 62 -10.702 2.358 -12.364 502 H THR 63 H THR 63 -6.781 1.045 -13.083 503 HA THR 63 HA THR 63 -6.899 -1.668 -13.971 504 HB THR 63 HB THR 63 -6.616 0.173 -15.579 505 HG1 THR 63 HG1 THR 63 -5.606 -2.022 -15.876 506 HG21 THR 63 3HG2 THR 63 -3.842 0.599 -14.403 507 HG22 THR 63 1HG2 THR 63 -5.205 1.714 -14.243 508 HG23 THR 63 2HG2 THR 63 -4.499 1.404 -15.830 509 H HIS 64 H HIS 64 -4.850 0.007 -11.737 510 HA HIS 64 HA HIS 64 -2.938 -2.218 -11.575 511 HB2 HIS 64 1HB HIS 64 -2.694 0.689 -10.823 512 HB3 HIS 64 2HB HIS 64 -1.628 -0.507 -10.087 513 HD1 HIS 64 HD1 HIS 64 -2.458 0.976 -13.458 514 HD2 HIS 64 HD2 HIS 64 0.445 -1.390 -11.677 515 HE1 HIS 64 HE1 HIS 64 -0.644 0.742 -15.160 516 HE2 HIS 64 HE2 HIS 64 1.205 -0.453 -13.952 517 H ILE 65 H ILE 65 -5.743 -1.339 -10.149 518 HA ILE 65 HA ILE 65 -5.000 -2.299 -7.460 519 HB ILE 65 HB ILE 65 -7.558 -0.984 -8.465 520 HG12 ILE 65 1HG1 ILE 65 -5.552 0.250 -6.546 521 HG13 ILE 65 2HG1 ILE 65 -5.318 0.386 -8.282 522 HG21 ILE 65 1HG2 ILE 65 -8.219 -0.804 -6.095 523 HG22 ILE 65 2HG2 ILE 65 -6.765 -1.678 -5.609 524 HG23 ILE 65 3HG2 ILE 65 -8.008 -2.493 -6.556 525 HD11 ILE 65 3HD1 ILE 65 -7.311 1.602 -8.531 526 HD12 ILE 65 1HD1 ILE 65 -6.377 2.323 -7.230 527 HD13 ILE 65 2HD1 ILE 65 -7.780 1.322 -6.855 528 H THR 66 H THR 66 -4.777 -4.443 -7.811 529 HA THR 66 HA THR 66 -7.205 -6.000 -7.779 530 HB THR 66 HB THR 66 -6.906 -5.986 -10.194 531 HG1 THR 66 HG1 THR 66 -7.565 -7.963 -9.410 532 HG21 THR 66 3HG2 THR 66 -4.508 -5.425 -10.345 533 HG22 THR 66 1HG2 THR 66 -4.896 -6.850 -11.317 534 HG23 THR 66 2HG2 THR 66 -4.092 -7.037 -9.759 535 H GLY 67 H GLY 67 -6.487 -8.449 -7.597 536 HA2 GLY 67 1HA GLY 67 -5.579 -8.643 -5.014 537 HA3 GLY 67 2HA GLY 67 -5.768 -9.995 -6.111 538 H LYS 68 H LYS 68 -3.685 -9.357 -7.966 539 HA LYS 68 HA LYS 68 -1.510 -10.563 -6.570 540 HB2 LYS 68 1HB LYS 68 -0.308 -10.509 -8.723 541 HB3 LYS 68 2HB LYS 68 -1.939 -11.143 -8.899 542 HG2 LYS 68 1HG LYS 68 -2.688 -8.971 -9.834 543 HG3 LYS 68 2HG LYS 68 -1.045 -8.336 -9.664 544 HD2 LYS 68 1HD LYS 68 -0.242 -10.156 -11.207 545 HD3 LYS 68 2HD LYS 68 -1.917 -10.659 -11.440 546 HE2 LYS 68 1HE LYS 68 -0.811 -7.920 -12.151 547 HE3 LYS 68 2HE LYS 68 -1.035 -9.238 -13.298 548 HZ1 LYS 68 3HZ LYS 68 -3.379 -9.148 -12.967 549 HZ2 LYS 68 1HZ LYS 68 -2.835 -7.586 -13.316 550 HZ3 LYS 68 2HZ LYS 68 -3.235 -8.012 -11.727 551 H TYR 69 H TYR 69 -2.326 -7.274 -7.173 552 HA TYR 69 HA TYR 69 0.323 -6.164 -6.688 553 HB2 TYR 69 1HB TYR 69 -2.438 -4.924 -7.057 554 HB3 TYR 69 2HB TYR 69 -1.021 -3.959 -6.654 555 HD1 TYR 69 HD2 TYR 69 -2.309 -6.340 -9.269 556 HD2 TYR 69 HD1 TYR 69 0.390 -3.177 -8.371 557 HE1 TYR 69 HE2 TYR 69 -1.766 -6.118 -11.653 558 HE2 TYR 69 HE1 TYR 69 0.949 -2.969 -10.742 559 HH TYR 69 HH TYR 69 -0.882 -4.402 -13.185 560 H PHE 70 H PHE 70 -2.744 -6.583 -4.959 561 HA PHE 70 HA PHE 70 -1.645 -5.298 -2.538 562 HB2 PHE 70 1HB PHE 70 -4.492 -5.834 -3.471 563 HB3 PHE 70 2HB PHE 70 -4.122 -5.297 -1.833 564 HD1 PHE 70 HD1 PHE 70 -4.092 -4.303 -5.407 565 HD2 PHE 70 HD2 PHE 70 -3.351 -3.015 -1.393 566 HE1 PHE 70 HE1 PHE 70 -3.922 -1.976 -6.175 567 HE2 PHE 70 HE2 PHE 70 -3.194 -0.693 -2.169 568 HZ PHE 70 HZ PHE 70 -3.474 -0.168 -4.563 569 H LYS 71 H LYS 71 -1.065 -8.047 -3.492 570 HA LYS 71 HA LYS 71 -2.140 -9.924 -1.597 571 HB2 LYS 71 1HB LYS 71 -1.292 -10.584 -3.839 572 HB3 LYS 71 2HB LYS 71 0.320 -10.022 -3.400 573 HG2 LYS 71 1HG LYS 71 0.257 -11.761 -1.513 574 HG3 LYS 71 2HG LYS 71 -1.185 -12.404 -2.294 575 HD2 LYS 71 1HD LYS 71 1.605 -12.223 -3.486 576 HD3 LYS 71 2HD LYS 71 0.774 -13.689 -2.973 577 HE2 LYS 71 1HE LYS 71 -0.893 -13.395 -4.755 578 HE3 LYS 71 2HE LYS 71 -0.119 -11.891 -5.256 579 HZ1 LYS 71 3HZ LYS 71 1.873 -13.157 -5.779 580 HZ2 LYS 71 1HZ LYS 71 0.534 -13.694 -6.661 581 HZ3 LYS 71 2HZ LYS 71 1.094 -14.593 -5.346 582 H ASP 72 H ASP 72 0.963 -8.263 -2.059 583 HA ASP 72 HA ASP 72 1.751 -8.632 0.769 584 HB2 ASP 72 1HB ASP 72 3.561 -8.948 -1.691 585 HB3 ASP 72 2HB ASP 72 4.173 -8.784 -0.048 586 H LEU 73 H LEU 73 3.285 -7.050 1.476 587 HA LEU 73 HA LEU 73 2.615 -4.367 0.719 588 HB2 LEU 73 1HB LEU 73 3.073 -5.142 3.021 589 HB3 LEU 73 2HB LEU 73 4.722 -5.519 2.591 590 HG LEU 73 HG LEU 73 4.313 -3.442 3.985 591 HD11 LEU 73 1HD1 LEU 73 6.469 -3.848 2.936 592 HD12 LEU 73 2HD1 LEU 73 6.079 -2.137 3.053 593 HD13 LEU 73 3HD1 LEU 73 5.934 -2.966 1.500 594 HD21 LEU 73 3HD2 LEU 73 3.356 -2.236 1.376 595 HD22 LEU 73 1HD2 LEU 73 3.680 -1.359 2.877 596 HD23 LEU 73 2HD2 LEU 73 2.374 -2.538 2.814 597 H ASN 74 H ASN 74 5.469 -6.446 0.195 598 HA ASN 74 HA ASN 74 7.141 -4.797 -1.283 599 HB2 ASN 74 1HB ASN 74 6.506 -7.746 -1.708 600 HB3 ASN 74 2HB ASN 74 7.661 -6.908 -2.727 601 HD21 ASN 74 1HD2 ASN 74 7.221 -8.589 0.179 602 HD22 ASN 74 2HD2 ASN 74 8.786 -8.294 0.852 603 H ALA 75 H ALA 75 4.297 -6.628 -2.418 604 HA ALA 75 HA ALA 75 4.555 -5.941 -5.178 605 HB1 ALA 75 3HB ALA 75 2.158 -7.018 -3.656 606 HB2 ALA 75 1HB ALA 75 3.422 -7.990 -4.416 607 HB3 ALA 75 2HB ALA 75 2.347 -7.006 -5.412 608 H ILE 76 H ILE 76 2.740 -4.560 -2.480 609 HA ILE 76 HA ILE 76 1.148 -2.699 -3.929 610 HB ILE 76 HB ILE 76 2.035 -2.798 -1.021 611 HG12 ILE 76 1HG1 ILE 76 -0.607 -3.418 -2.388 612 HG13 ILE 76 2HG1 ILE 76 0.495 -4.577 -1.652 613 HG21 ILE 76 1HG2 ILE 76 0.397 -1.053 -0.456 614 HG22 ILE 76 2HG2 ILE 76 0.053 -0.799 -2.169 615 HG23 ILE 76 3HG2 ILE 76 1.653 -0.425 -1.524 616 HD11 ILE 76 3HD1 ILE 76 0.033 -3.496 0.541 617 HD12 ILE 76 1HD1 ILE 76 -1.353 -4.273 -0.221 618 HD13 ILE 76 2HD1 ILE 76 -1.198 -2.517 -0.265 619 H SER 77 H SER 77 4.273 -2.403 -2.274 620 HA SER 77 HA SER 77 4.458 0.439 -2.698 621 HB2 SER 77 1HB SER 77 5.462 -0.546 -0.713 622 HB3 SER 77 2HB SER 77 6.479 -1.597 -1.701 623 HG SER 77 HG SER 77 7.456 0.355 -2.533 624 H ARG 78 H ARG 78 5.707 -2.473 -4.286 625 HA ARG 78 HA ARG 78 7.767 -1.205 -5.789 626 HB2 ARG 78 1HB ARG 78 8.150 -3.279 -6.844 627 HB3 ARG 78 2HB ARG 78 7.525 -3.743 -5.268 628 HG2 ARG 78 1HG ARG 78 5.281 -4.119 -6.318 629 HG3 ARG 78 2HG ARG 78 5.992 -3.737 -7.886 630 HD2 ARG 78 1HD ARG 78 7.665 -5.661 -7.374 631 HD3 ARG 78 2HD ARG 78 6.517 -6.128 -6.115 632 HE ARG 78 HE ARG 78 4.831 -6.401 -7.874 633 HH11 ARG 78 1HH1 ARG 78 8.176 -6.308 -8.941 634 HH12 ARG 78 2HH1 ARG 78 7.861 -7.155 -10.420 635 HH21 ARG 78 1HH2 ARG 78 4.430 -7.503 -9.858 636 HH22 ARG 78 2HH2 ARG 78 5.747 -7.828 -10.939 637 H THR 79 H THR 79 4.330 -1.867 -6.376 638 HA THR 79 HA THR 79 4.388 -1.054 -9.120 639 HB THR 79 HB THR 79 2.575 -2.577 -8.243 640 HG1 THR 79 HG1 THR 79 0.879 -1.123 -9.370 641 HG21 THR 79 3HG2 THR 79 1.970 -1.396 -6.146 642 HG22 THR 79 1HG2 THR 79 0.570 -1.566 -7.207 643 HG23 THR 79 2HG2 THR 79 1.399 -0.014 -7.090 644 H VAL 80 H VAL 80 3.838 0.567 -5.998 645 HA VAL 80 HA VAL 80 2.930 3.080 -6.989 646 HB VAL 80 HB VAL 80 4.422 2.345 -4.429 647 HG11 VAL 80 1HG1 VAL 80 4.964 4.698 -4.882 648 HG12 VAL 80 2HG1 VAL 80 3.840 4.602 -3.525 649 HG13 VAL 80 3HG1 VAL 80 3.256 5.072 -5.123 650 HG21 VAL 80 3HG2 VAL 80 1.503 3.072 -4.891 651 HG22 VAL 80 1HG2 VAL 80 2.223 2.670 -3.328 652 HG23 VAL 80 2HG2 VAL 80 2.130 1.450 -4.602 653 H GLU 81 H GLU 81 6.145 1.721 -6.497 654 HA GLU 81 HA GLU 81 7.681 4.030 -7.166 655 HB2 GLU 81 1HB GLU 81 8.366 1.050 -7.169 656 HB3 GLU 81 2HB GLU 81 9.559 2.339 -7.361 657 HG2 GLU 81 1HG GLU 81 9.110 3.180 -5.145 658 HG3 GLU 81 2HG GLU 81 7.743 2.098 -4.940 659 H GLN 82 H GLN 82 6.285 1.417 -9.016 660 HA GLN 82 HA GLN 82 7.430 2.115 -11.582 661 HB2 GLN 82 1HB GLN 82 6.858 -0.224 -11.108 662 HB3 GLN 82 2HB GLN 82 5.189 0.213 -10.775 663 HG2 GLN 82 1HG GLN 82 5.334 -0.867 -12.943 664 HG3 GLN 82 2HG GLN 82 4.871 0.820 -13.154 665 HE21 GLN 82 1HE2 GLN 82 5.564 0.936 -15.283 666 HE22 GLN 82 2HE2 GLN 82 7.230 0.896 -15.741 667 H LEU 83 H LEU 83 4.499 2.857 -9.801 668 HA LEU 83 HA LEU 83 3.009 3.983 -12.018 669 HB2 LEU 83 1HB LEU 83 2.540 3.827 -9.020 670 HB3 LEU 83 2HB LEU 83 1.491 4.800 -10.034 671 HG LEU 83 HG LEU 83 1.897 1.804 -10.369 672 HD11 LEU 83 1HD1 LEU 83 -0.333 1.521 -9.405 673 HD12 LEU 83 2HD1 LEU 83 -0.435 3.254 -9.083 674 HD13 LEU 83 3HD1 LEU 83 0.770 2.269 -8.248 675 HD21 LEU 83 3HD2 LEU 83 1.313 2.873 -12.473 676 HD22 LEU 83 1HD2 LEU 83 -0.051 3.708 -11.716 677 HD23 LEU 83 2HD2 LEU 83 -0.057 1.952 -11.867 678 H LYS 84 H LYS 84 5.143 5.077 -9.488 679 HA LYS 84 HA LYS 84 4.715 7.850 -9.624 680 HB2 LYS 84 1HB LYS 84 6.044 6.616 -7.867 681 HB3 LYS 84 2HB LYS 84 7.323 6.373 -9.053 682 HG2 LYS 84 1HG LYS 84 7.847 8.709 -9.114 683 HG3 LYS 84 2HG LYS 84 6.372 9.139 -8.243 684 HD2 LYS 84 1HD LYS 84 8.436 9.267 -6.825 685 HD3 LYS 84 2HD LYS 84 7.222 8.155 -6.185 686 HE2 LYS 84 1HE LYS 84 9.477 7.195 -5.999 687 HE3 LYS 84 2HE LYS 84 8.501 6.241 -7.113 688 HZ1 LYS 84 3HZ LYS 84 9.574 7.489 -8.941 689 HZ2 LYS 84 1HZ LYS 84 10.638 6.538 -8.046 690 HZ3 LYS 84 2HZ LYS 84 10.607 8.208 -7.818 691 H ALA 85 H ALA 85 6.336 5.614 -11.718 692 HA ALA 85 HA ALA 85 7.272 7.630 -13.581 693 HB1 ALA 85 3HB ALA 85 7.160 4.591 -13.770 694 HB2 ALA 85 1HB ALA 85 8.567 5.551 -13.306 695 HB3 ALA 85 2HB ALA 85 7.932 5.655 -14.953 696 H GLU 86 H GLU 86 4.788 5.007 -13.624 697 HA GLU 86 HA GLU 86 3.894 5.492 -16.238 698 HB2 GLU 86 1HB GLU 86 2.463 4.141 -13.915 699 HB3 GLU 86 2HB GLU 86 1.852 4.139 -15.568 700 HG2 GLU 86 1HG GLU 86 3.909 2.954 -16.303 701 HG3 GLU 86 2HG GLU 86 4.459 2.902 -14.629 702 H SER 87 H SER 87 2.183 6.370 -13.183 703 HA SER 87 HA SER 87 0.119 7.821 -14.505 704 HB2 SER 87 1HB SER 87 -0.656 8.462 -12.274 705 HB3 SER 87 2HB SER 87 -0.191 6.765 -12.257 706 HG SER 87 HG SER 87 1.964 7.979 -11.556 707 H ALA 88 H ALA 88 3.360 8.708 -13.560 708 HA ALA 88 HA ALA 88 2.941 11.567 -13.603 709 HB1 ALA 88 3HB ALA 88 5.508 9.972 -13.916 710 HB2 ALA 88 1HB ALA 88 4.856 10.584 -12.395 711 HB3 ALA 88 2HB ALA 88 5.403 11.713 -13.639 712 H LEU 89 H LEU 89 3.846 9.064 -15.956 713 HA LEU 89 HA LEU 89 4.474 10.844 -18.133 714 HB2 LEU 89 1HB LEU 89 3.793 7.870 -18.190 715 HB3 LEU 89 2HB LEU 89 4.476 8.778 -19.527 716 HG LEU 89 HG LEU 89 5.842 8.126 -16.901 717 HD11 LEU 89 1HD1 LEU 89 6.475 7.188 -19.707 718 HD12 LEU 89 2HD1 LEU 89 5.755 6.228 -18.410 719 HD13 LEU 89 3HD1 LEU 89 7.407 6.818 -18.252 720 HD21 LEU 89 3HD2 LEU 89 7.854 9.242 -17.771 721 HD22 LEU 89 1HD2 LEU 89 6.522 10.379 -17.570 722 HD23 LEU 89 2HD2 LEU 89 6.949 9.797 -19.181 723 H GLU 90 H GLU 90 1.513 9.541 -16.851 724 HA GLU 90 HA GLU 90 -0.129 9.825 -19.180 725 HB2 GLU 90 1HB GLU 90 -0.902 9.747 -16.238 726 HB3 GLU 90 2HB GLU 90 -2.050 9.662 -17.568 727 HG2 GLU 90 1HG GLU 90 0.121 7.627 -16.980 728 HG3 GLU 90 2HG GLU 90 -1.582 7.455 -16.560 729 H282 PNS 101 2H28 PNS 142 -12.676 -1.944 -7.283 730 H281 PNS 101 3H28 PNS 142 -11.991 -1.937 -5.660 731 H303 PNS 101 2H51 PNS 142 -11.076 -4.043 -4.666 732 H302 PNS 101 3H51 PNS 142 -11.082 -5.536 -5.600 733 H301 PNS 101 1H51 PNS 142 -12.606 -4.858 -5.011 734 H313 PNS 101 2H52 PNS 142 -9.818 -4.360 -7.439 735 H312 PNS 101 3H52 PNS 142 -10.453 -2.871 -8.136 736 H311 PNS 101 1H52 PNS 142 -9.845 -2.878 -6.467 737 H32 PNS 101 H32 PNS 142 -13.534 -4.865 -7.360 738 H33 PNS 101 H33 PNS 142 -13.019 -4.406 -9.655 739 H36 PNS 101 H36 PNS 142 -12.802 -6.949 -6.686 740 H372 PNS 101 2H37 PNS 142 -10.986 -8.392 -8.546 741 H371 PNS 101 3H37 PNS 142 -12.396 -9.089 -7.753 742 H382 PNS 101 2H38 PNS 142 -10.317 -9.835 -6.668 743 H381 PNS 101 3H38 PNS 142 -11.304 -8.874 -5.568 744 H41 PNS 101 H41 PNS 142 -10.236 -7.406 -4.431 745 H422 PNS 101 2H42 PNS 142 -7.473 -6.815 -4.677 746 H421 PNS 101 3H42 PNS 142 -8.453 -5.455 -5.242 747 H431 PNS 101 2H43 PNS 142 -9.604 -5.351 -3.066 748 H432 PNS 101 3H43 PNS 142 -8.672 -6.746 -2.497 749 H44 PNS 101 H44 PNS 142 -7.587 -4.430 -1.355 Start of MODEL 14 1 H1 MET 1 1H MET 1 14.606 10.464 -1.059 2 H2 MET 1 2H MET 1 12.973 10.196 -0.740 3 H3 MET 1 3H MET 1 13.427 11.080 -2.103 4 HA MET 1 HA MET 1 12.722 8.870 -2.673 5 HB2 MET 1 1HB MET 1 14.707 8.209 -4.023 6 HB3 MET 1 2HB MET 1 14.372 9.929 -4.132 7 HG2 MET 1 1HG MET 1 16.197 10.390 -2.552 8 HG3 MET 1 2HG MET 1 16.519 8.660 -2.423 9 HE1 MET 1 3HE MET 1 19.630 9.847 -4.480 10 HE2 MET 1 1HE MET 1 19.080 8.902 -3.095 11 HE3 MET 1 2HE MET 1 18.855 10.652 -3.116 12 H ASP 2 H ASP 2 12.571 6.776 -2.123 13 HA ASP 2 HA ASP 2 14.433 5.347 -0.476 14 HB2 ASP 2 1HB ASP 2 12.849 5.033 1.465 15 HB3 ASP 2 2HB ASP 2 13.493 6.661 1.325 16 H GLY 3 H GLY 3 13.529 3.157 0.122 17 HA2 GLY 3 1HA GLY 3 11.612 2.145 -1.912 18 HA3 GLY 3 2HA GLY 3 13.135 1.340 -1.564 19 H GLU 4 H GLU 4 13.425 0.878 0.937 20 HA GLU 4 HA GLU 4 11.273 -0.901 1.701 21 HB2 GLU 4 1HB GLU 4 12.668 -1.498 3.620 22 HB3 GLU 4 2HB GLU 4 13.647 -1.472 2.159 23 HG2 GLU 4 1HG GLU 4 14.536 0.739 2.798 24 HG3 GLU 4 2HG GLU 4 13.567 0.706 4.270 25 H GLU 5 H GLU 5 12.142 2.342 2.475 26 HA GLU 5 HA GLU 5 10.559 2.560 4.845 27 HB2 GLU 5 1HB GLU 5 12.508 4.052 4.361 28 HB3 GLU 5 2HB GLU 5 11.603 4.768 3.033 29 HG2 GLU 5 1HG GLU 5 9.909 5.607 4.623 30 HG3 GLU 5 2HG GLU 5 10.791 4.868 5.957 31 H VAL 6 H VAL 6 9.983 3.087 1.360 32 HA VAL 6 HA VAL 6 7.424 4.217 1.356 33 HB VAL 6 HB VAL 6 8.521 2.038 -0.485 34 HG11 VAL 6 1HG1 VAL 6 6.783 2.680 -2.139 35 HG12 VAL 6 2HG1 VAL 6 6.049 3.754 -0.947 36 HG13 VAL 6 3HG1 VAL 6 6.076 2.015 -0.665 37 HG21 VAL 6 3HG2 VAL 6 8.977 3.873 -2.078 38 HG22 VAL 6 1HG2 VAL 6 9.849 4.096 -0.560 39 HG23 VAL 6 2HG2 VAL 6 8.400 5.050 -0.895 40 H LYS 7 H LYS 7 8.309 0.779 1.561 41 HA LYS 7 HA LYS 7 5.729 -0.276 1.871 42 HB2 LYS 7 1HB LYS 7 8.471 -1.321 2.620 43 HB3 LYS 7 2HB LYS 7 7.033 -2.259 2.940 44 HG2 LYS 7 1HG LYS 7 7.299 -3.143 0.880 45 HG3 LYS 7 2HG LYS 7 6.710 -1.606 0.258 46 HD2 LYS 7 1HD LYS 7 8.715 -2.048 -0.929 47 HD3 LYS 7 2HD LYS 7 9.146 -0.818 0.260 48 HE2 LYS 7 1HE LYS 7 10.896 -2.467 0.208 49 HE3 LYS 7 2HE LYS 7 10.021 -2.665 1.727 50 HZ1 LYS 7 3HZ LYS 7 9.664 -4.330 -0.714 51 HZ2 LYS 7 1HZ LYS 7 8.815 -4.510 0.739 52 HZ3 LYS 7 2HZ LYS 7 10.476 -4.787 0.698 53 H GLU 8 H GLU 8 8.132 0.777 4.310 54 HA GLU 8 HA GLU 8 6.509 -0.120 6.520 55 HB2 GLU 8 1HB GLU 8 8.202 0.542 7.953 56 HB3 GLU 8 2HB GLU 8 9.083 0.177 6.479 57 HG2 GLU 8 1HG GLU 8 9.229 2.578 5.976 58 HG3 GLU 8 2HG GLU 8 8.338 2.951 7.448 59 H LYS 9 H LYS 9 6.594 2.826 4.699 60 HA LYS 9 HA LYS 9 5.112 4.526 6.459 61 HB2 LYS 9 1HB LYS 9 5.456 4.469 3.439 62 HB3 LYS 9 2HB LYS 9 4.431 5.664 4.220 63 HG2 LYS 9 1HG LYS 9 6.287 6.680 5.323 64 HG3 LYS 9 2HG LYS 9 7.358 5.339 4.905 65 HD2 LYS 9 1HD LYS 9 7.110 5.934 2.491 66 HD3 LYS 9 2HD LYS 9 6.121 7.323 2.954 67 HE2 LYS 9 1HE LYS 9 7.987 8.372 4.056 68 HE3 LYS 9 2HE LYS 9 8.971 6.915 3.914 69 HZ1 LYS 9 3HZ LYS 9 8.989 7.191 1.538 70 HZ2 LYS 9 1HZ LYS 9 9.585 8.577 2.290 71 HZ3 LYS 9 2HZ LYS 9 8.024 8.575 1.650 72 H ILE 10 H ILE 10 4.209 2.489 3.692 73 HA ILE 10 HA ILE 10 1.432 3.010 3.779 74 HB ILE 10 HB ILE 10 2.903 0.660 2.518 75 HG12 ILE 10 1HG1 ILE 10 1.947 3.257 1.220 76 HG13 ILE 10 2HG1 ILE 10 3.600 2.986 1.754 77 HG21 ILE 10 1HG2 ILE 10 0.071 1.656 1.967 78 HG22 ILE 10 2HG2 ILE 10 0.497 0.139 2.760 79 HG23 ILE 10 3HG2 ILE 10 0.902 0.386 1.062 80 HD11 ILE 10 3HD1 ILE 10 3.817 1.164 0.131 81 HD12 ILE 10 1HD1 ILE 10 3.392 2.698 -0.628 82 HD13 ILE 10 2HD1 ILE 10 2.160 1.457 -0.408 83 H ARG 11 H ARG 11 3.404 0.345 5.128 84 HA ARG 11 HA ARG 11 1.236 -1.140 6.186 85 HB2 ARG 11 1HB ARG 11 2.788 -2.511 7.332 86 HB3 ARG 11 2HB ARG 11 3.542 -2.058 5.830 87 HG2 ARG 11 1HG ARG 11 5.330 -1.930 7.248 88 HG3 ARG 11 2HG ARG 11 4.773 -0.266 7.243 89 HD2 ARG 11 1HD ARG 11 4.470 -0.299 9.478 90 HD3 ARG 11 2HD ARG 11 3.460 -1.729 9.372 91 HE ARG 11 HE ARG 11 5.208 -3.003 10.038 92 HH11 ARG 11 1HH1 ARG 11 6.524 0.130 9.191 93 HH12 ARG 11 2HH1 ARG 11 8.097 -0.230 9.798 94 HH21 ARG 11 1HH2 ARG 11 7.275 -3.523 10.750 95 HH22 ARG 11 2HH2 ARG 11 8.538 -2.332 10.695 96 H ARG 12 H ARG 12 3.121 1.557 7.400 97 HA ARG 12 HA ARG 12 2.332 1.425 10.090 98 HB2 ARG 12 1HB ARG 12 3.903 3.202 8.449 99 HB3 ARG 12 2HB ARG 12 2.758 4.206 9.315 100 HG2 ARG 12 1HG ARG 12 5.002 3.969 10.390 101 HG3 ARG 12 2HG ARG 12 3.653 3.515 11.435 102 HD2 ARG 12 1HD ARG 12 4.122 1.178 11.132 103 HD3 ARG 12 2HD ARG 12 5.281 1.514 9.843 104 HE ARG 12 HE ARG 12 5.704 1.754 12.717 105 HH11 ARG 12 1HH1 ARG 12 7.011 2.470 9.518 106 HH12 ARG 12 2HH1 ARG 12 8.632 2.671 10.105 107 HH21 ARG 12 1HH2 ARG 12 7.838 2.011 13.446 108 HH22 ARG 12 2HH2 ARG 12 9.100 2.415 12.320 109 H TYR 13 H TYR 13 0.935 3.082 7.284 110 HA TYR 13 HA TYR 13 -1.220 4.341 8.651 111 HB2 TYR 13 1HB TYR 13 -0.382 5.012 6.399 112 HB3 TYR 13 2HB TYR 13 -1.039 3.517 5.727 113 HD1 TYR 13 HD1 TYR 13 -2.171 6.472 7.780 114 HD2 TYR 13 HD2 TYR 13 -3.192 3.638 4.751 115 HE1 TYR 13 HE1 TYR 13 -4.307 7.613 7.430 116 HE2 TYR 13 HE2 TYR 13 -5.321 4.777 4.410 117 HH TYR 13 HH TYR 13 -6.866 6.248 5.788 118 H ILE 14 H ILE 14 -0.835 1.138 7.197 119 HA ILE 14 HA ILE 14 -3.515 0.236 7.414 120 HB ILE 14 HB ILE 14 -0.911 -1.347 7.528 121 HG12 ILE 14 1HG1 ILE 14 -2.749 -1.049 5.122 122 HG13 ILE 14 2HG1 ILE 14 -1.429 0.073 5.426 123 HG21 ILE 14 1HG2 ILE 14 -2.729 -2.719 8.445 124 HG22 ILE 14 2HG2 ILE 14 -2.218 -3.345 6.877 125 HG23 ILE 14 3HG2 ILE 14 -3.711 -2.412 7.010 126 HD11 ILE 14 3HD1 ILE 14 -1.186 -2.882 4.920 127 HD12 ILE 14 1HD1 ILE 14 0.148 -1.797 5.336 128 HD13 ILE 14 2HD1 ILE 14 -0.747 -1.561 3.834 129 H MET 15 H MET 15 -0.891 0.540 9.723 130 HA MET 15 HA MET 15 -2.199 -0.921 11.867 131 HB2 MET 15 1HB MET 15 0.289 0.837 11.920 132 HB3 MET 15 2HB MET 15 -0.195 -0.308 13.170 133 HG2 MET 15 1HG MET 15 0.234 -2.174 11.735 134 HG3 MET 15 2HG MET 15 0.408 -1.130 10.332 135 HE1 MET 15 3HE MET 15 3.458 -1.463 13.731 136 HE2 MET 15 1HE MET 15 1.959 -2.385 13.627 137 HE3 MET 15 2HE MET 15 1.908 -0.645 13.953 138 H GLU 16 H GLU 16 -1.994 2.400 10.784 139 HA GLU 16 HA GLU 16 -2.861 3.611 13.281 140 HB2 GLU 16 1HB GLU 16 -2.632 4.809 10.480 141 HB3 GLU 16 2HB GLU 16 -2.945 5.729 11.948 142 HG2 GLU 16 1HG GLU 16 -0.423 4.159 11.357 143 HG3 GLU 16 2HG GLU 16 -0.602 5.906 11.188 144 H ASP 17 H ASP 17 -4.227 3.329 10.023 145 HA ASP 17 HA ASP 17 -6.772 4.419 10.937 146 HB2 ASP 17 1HB ASP 17 -5.671 5.560 9.117 147 HB3 ASP 17 2HB ASP 17 -5.508 4.065 8.212 148 H LEU 18 H LEU 18 -5.527 1.544 9.214 149 HA LEU 18 HA LEU 18 -8.200 0.581 8.588 150 HB2 LEU 18 1HB LEU 18 -5.570 -0.891 8.174 151 HB3 LEU 18 2HB LEU 18 -7.116 -1.244 7.415 152 HG LEU 18 HG LEU 18 -5.286 1.123 6.866 153 HD11 LEU 18 1HD1 LEU 18 -4.643 -0.937 5.748 154 HD12 LEU 18 2HD1 LEU 18 -5.225 0.249 4.585 155 HD13 LEU 18 3HD1 LEU 18 -6.260 -1.103 5.055 156 HD21 LEU 18 3HD2 LEU 18 -6.941 1.923 5.217 157 HD22 LEU 18 1HD2 LEU 18 -7.558 2.003 6.866 158 HD23 LEU 18 2HD2 LEU 18 -8.095 0.716 5.786 159 H ILE 19 H ILE 19 -5.490 -0.595 10.566 160 HA ILE 19 HA ILE 19 -7.288 -2.410 12.073 161 HB ILE 19 HB ILE 19 -4.246 -2.624 11.913 162 HG12 ILE 19 1HG1 ILE 19 -6.189 -4.167 10.137 163 HG13 ILE 19 2HG1 ILE 19 -5.175 -2.834 9.589 164 HG21 ILE 19 1HG2 ILE 19 -5.300 -3.844 13.788 165 HG22 ILE 19 2HG2 ILE 19 -4.555 -4.954 12.636 166 HG23 ILE 19 3HG2 ILE 19 -6.307 -4.738 12.644 167 HD11 ILE 19 3HD1 ILE 19 -4.201 -4.952 8.963 168 HD12 ILE 19 1HD1 ILE 19 -4.203 -5.495 10.643 169 HD13 ILE 19 2HD1 ILE 19 -3.174 -4.146 10.149 170 H GLY 20 H GLY 20 -6.697 -2.588 14.440 171 HA2 GLY 20 1HA GLY 20 -5.423 -0.141 15.539 172 HA3 GLY 20 2HA GLY 20 -6.801 -0.946 16.272 173 HA PRO 21 HA PRO 21 -3.760 -2.723 18.929 174 HB2 PRO 21 1HB PRO 21 -5.238 -4.628 20.244 175 HB3 PRO 21 2HB PRO 21 -5.512 -2.890 20.468 176 HG2 PRO 21 1HG PRO 21 -7.045 -4.832 18.774 177 HG3 PRO 21 2HG PRO 21 -7.649 -3.528 19.819 178 HD2 PRO 21 1HD PRO 21 -7.410 -3.267 17.091 179 HD3 PRO 21 2HD PRO 21 -7.310 -1.891 18.200 180 H SER 22 H SER 22 -5.236 -4.741 16.523 181 HA SER 22 HA SER 22 -3.562 -7.094 16.989 182 HB2 SER 22 1HB SER 22 -5.964 -7.284 16.296 183 HB3 SER 22 2HB SER 22 -5.570 -6.502 14.766 184 HG SER 22 HG SER 22 -4.104 -8.769 15.516 185 H ALA 23 H ALA 23 -2.706 -4.247 15.907 186 HA ALA 23 HA ALA 23 -0.917 -5.267 13.788 187 HB1 ALA 23 3HB ALA 23 -2.236 -2.531 13.926 188 HB2 ALA 23 1HB ALA 23 -2.592 -3.804 12.752 189 HB3 ALA 23 2HB ALA 23 -1.010 -3.019 12.756 190 H LYS 24 H LYS 24 0.304 -5.763 15.780 191 HA LYS 24 HA LYS 24 1.462 -3.686 17.347 192 HB2 LYS 24 1HB LYS 24 1.262 -6.283 17.803 193 HB3 LYS 24 2HB LYS 24 2.778 -6.387 16.920 194 HG2 LYS 24 1HG LYS 24 3.262 -6.342 19.275 195 HG3 LYS 24 2HG LYS 24 3.790 -4.807 18.572 196 HD2 LYS 24 1HD LYS 24 1.777 -3.687 19.416 197 HD3 LYS 24 2HD LYS 24 1.145 -5.216 20.026 198 HE2 LYS 24 1HE LYS 24 3.054 -5.343 21.617 199 HE3 LYS 24 2HE LYS 24 3.630 -3.780 21.029 200 HZ1 LYS 24 3HZ LYS 24 1.003 -4.284 22.303 201 HZ2 LYS 24 1HZ LYS 24 1.579 -2.787 21.774 202 HZ3 LYS 24 2HZ LYS 24 2.340 -3.577 23.055 203 H GLU 25 H GLU 25 3.952 -3.401 17.343 204 HA GLU 25 HA GLU 25 4.549 -1.763 15.227 205 HB2 GLU 25 1HB GLU 25 6.449 -3.126 17.172 206 HB3 GLU 25 2HB GLU 25 6.950 -1.845 16.073 207 HG2 GLU 25 1HG GLU 25 6.619 -0.863 18.219 208 HG3 GLU 25 2HG GLU 25 5.304 -0.316 17.191 209 H ASP 26 H ASP 26 5.354 -5.176 15.517 210 HA ASP 26 HA ASP 26 6.493 -5.156 12.794 211 HB2 ASP 26 1HB ASP 26 7.611 -6.516 15.283 212 HB3 ASP 26 2HB ASP 26 8.126 -6.951 13.652 213 H GLU 27 H GLU 27 3.804 -5.847 13.865 214 HA GLU 27 HA GLU 27 3.501 -8.640 13.123 215 HB2 GLU 27 1HB GLU 27 1.549 -6.388 13.773 216 HB3 GLU 27 2HB GLU 27 0.963 -7.872 13.005 217 HG2 GLU 27 1HG GLU 27 2.377 -7.649 15.665 218 HG3 GLU 27 2HG GLU 27 0.658 -7.936 15.418 219 H LEU 28 H LEU 28 3.256 -5.456 11.684 220 HA LEU 28 HA LEU 28 2.772 -6.570 9.013 221 HB2 LEU 28 1HB LEU 28 2.773 -3.754 10.148 222 HB3 LEU 28 2HB LEU 28 2.862 -4.011 8.424 223 HG LEU 28 HG LEU 28 0.566 -3.501 9.089 224 HD11 LEU 28 1HD1 LEU 28 0.862 -4.975 7.172 225 HD12 LEU 28 2HD1 LEU 28 -0.610 -5.370 8.052 226 HD13 LEU 28 3HD1 LEU 28 0.817 -6.394 8.226 227 HD21 LEU 28 3HD2 LEU 28 0.601 -4.294 11.399 228 HD22 LEU 28 1HD2 LEU 28 0.675 -5.970 10.845 229 HD23 LEU 28 2HD2 LEU 28 -0.764 -4.989 10.526 230 H ASP 29 H ASP 29 4.513 -7.317 8.124 231 HA ASP 29 HA ASP 29 7.118 -5.930 8.123 232 HB2 ASP 29 1HB ASP 29 6.350 -8.662 6.962 233 HB3 ASP 29 2HB ASP 29 7.981 -8.005 7.037 234 H ASP 30 H ASP 30 8.197 -6.015 5.853 235 HA ASP 30 HA ASP 30 6.463 -4.721 3.951 236 HB2 ASP 30 1HB ASP 30 8.406 -4.347 2.604 237 HB3 ASP 30 2HB ASP 30 8.853 -4.053 4.278 238 H GLN 31 H GLN 31 7.093 -7.960 4.607 239 HA GLN 31 HA GLN 31 6.441 -8.879 1.855 240 HB2 GLN 31 1HB GLN 31 7.787 -10.530 4.037 241 HB3 GLN 31 2HB GLN 31 7.631 -10.931 2.328 242 HG2 GLN 31 1HG GLN 31 9.121 -8.971 1.813 243 HG3 GLN 31 2HG GLN 31 9.368 -8.762 3.546 244 HE21 GLN 31 1HE2 GLN 31 11.518 -9.175 3.566 245 HE22 GLN 31 2HE2 GLN 31 12.220 -10.703 3.173 246 H THR 32 H THR 32 4.908 -8.189 4.591 247 HA THR 32 HA THR 32 3.529 -10.511 5.370 248 HB THR 32 HB THR 32 2.955 -7.569 5.732 249 HG1 THR 32 HG1 THR 32 4.021 -9.685 7.252 250 HG21 THR 32 3HG2 THR 32 1.313 -9.852 6.892 251 HG22 THR 32 1HG2 THR 32 0.744 -8.674 5.714 252 HG23 THR 32 2HG2 THR 32 1.170 -8.152 7.347 253 HA PRO 33 HA PRO 33 0.691 -10.824 1.852 254 HB2 PRO 33 1HB PRO 33 -0.747 -12.959 2.749 255 HB3 PRO 33 2HB PRO 33 0.912 -13.141 2.146 256 HG2 PRO 33 1HG PRO 33 -0.039 -12.964 4.996 257 HG3 PRO 33 2HG PRO 33 1.132 -14.096 4.276 258 HD2 PRO 33 1HD PRO 33 1.924 -11.878 5.643 259 HD3 PRO 33 2HD PRO 33 2.856 -12.528 4.274 260 H LEU 34 H LEU 34 -0.211 -8.801 2.298 261 HA LEU 34 HA LEU 34 -1.933 -8.001 4.343 262 HB2 LEU 34 1HB LEU 34 -1.934 -7.011 1.461 263 HB3 LEU 34 2HB LEU 34 -2.506 -6.122 2.867 264 HG LEU 34 HG LEU 34 0.406 -6.869 2.345 265 HD11 LEU 34 1HD1 LEU 34 0.779 -4.491 1.873 266 HD12 LEU 34 2HD1 LEU 34 -0.950 -4.173 2.026 267 HD13 LEU 34 3HD1 LEU 34 -0.352 -5.209 0.728 268 HD21 LEU 34 3HD2 LEU 34 -0.046 -6.723 4.746 269 HD22 LEU 34 1HD2 LEU 34 -0.782 -5.130 4.540 270 HD23 LEU 34 2HD2 LEU 34 0.940 -5.359 4.227 271 H LEU 35 H LEU 35 -2.627 -9.185 1.096 272 HA LEU 35 HA LEU 35 -5.459 -8.932 1.223 273 HB2 LEU 35 1HB LEU 35 -4.012 -8.872 -0.847 274 HB3 LEU 35 2HB LEU 35 -3.811 -10.608 -0.688 275 HG LEU 35 HG LEU 35 -6.365 -10.802 -0.854 276 HD11 LEU 35 1HD1 LEU 35 -6.141 -7.903 -1.735 277 HD12 LEU 35 2HD1 LEU 35 -6.938 -8.494 -0.277 278 HD13 LEU 35 3HD1 LEU 35 -7.587 -8.913 -1.859 279 HD21 LEU 35 3HD2 LEU 35 -4.862 -9.701 -3.236 280 HD22 LEU 35 1HD2 LEU 35 -6.376 -10.610 -3.301 281 HD23 LEU 35 2HD2 LEU 35 -4.908 -11.388 -2.710 282 H GLU 36 H GLU 36 -3.196 -11.563 1.853 283 HA GLU 36 HA GLU 36 -5.037 -13.727 1.944 284 HB2 GLU 36 1HB GLU 36 -2.538 -13.959 1.746 285 HB3 GLU 36 2HB GLU 36 -2.389 -13.451 3.423 286 HG2 GLU 36 1HG GLU 36 -2.190 -15.816 3.438 287 HG3 GLU 36 2HG GLU 36 -3.813 -15.476 4.041 288 H TRP 37 H TRP 37 -3.858 -11.423 4.346 289 HA TRP 37 HA TRP 37 -5.231 -12.450 6.621 290 HB2 TRP 37 1HB TRP 37 -4.075 -9.719 5.952 291 HB3 TRP 37 2HB TRP 37 -4.871 -10.039 7.489 292 HD1 TRP 37 HD1 TRP 37 -2.783 -12.972 6.350 293 HE1 TRP 37 HE1 TRP 37 -0.617 -13.060 7.729 294 HE3 TRP 37 HE3 TRP 37 -3.054 -8.372 8.587 295 HZ2 TRP 37 HZ2 TRP 37 0.793 -11.417 9.526 296 HZ3 TRP 37 HZ3 TRP 37 -1.244 -7.701 10.125 297 HH2 TRP 37 HH2 TRP 37 0.640 -9.198 10.583 298 H GLY 38 H GLY 38 -6.276 -10.616 3.875 299 HA2 GLY 38 1HA GLY 38 -8.365 -9.994 3.173 300 HA3 GLY 38 2HA GLY 38 -9.047 -10.748 4.607 301 H ILE 39 H ILE 39 -6.563 -8.411 5.068 302 HA ILE 39 HA ILE 39 -8.321 -6.591 6.462 303 HB ILE 39 HB ILE 39 -6.288 -5.262 6.932 304 HG12 ILE 39 1HG1 ILE 39 -4.833 -7.236 5.095 305 HG13 ILE 39 2HG1 ILE 39 -5.080 -5.528 4.778 306 HG21 ILE 39 1HG2 ILE 39 -5.864 -8.243 7.364 307 HG22 ILE 39 2HG2 ILE 39 -6.809 -7.161 8.388 308 HG23 ILE 39 3HG2 ILE 39 -5.062 -6.951 8.262 309 HD11 ILE 39 3HD1 ILE 39 -3.637 -4.988 6.698 310 HD12 ILE 39 1HD1 ILE 39 -2.816 -5.942 5.463 311 HD13 ILE 39 2HD1 ILE 39 -3.363 -6.715 6.949 312 H LEU 40 H LEU 40 -7.428 -6.960 3.183 313 HA LEU 40 HA LEU 40 -7.850 -4.099 2.540 314 HB2 LEU 40 1HB LEU 40 -6.646 -6.285 0.791 315 HB3 LEU 40 2HB LEU 40 -6.836 -4.598 0.339 316 HG LEU 40 HG LEU 40 -4.907 -5.764 2.380 317 HD11 LEU 40 1HD1 LEU 40 -4.430 -4.138 -0.139 318 HD12 LEU 40 2HD1 LEU 40 -4.165 -5.873 0.059 319 HD13 LEU 40 3HD1 LEU 40 -3.189 -4.728 0.973 320 HD21 LEU 40 3HD2 LEU 40 -4.184 -3.459 2.913 321 HD22 LEU 40 1HD2 LEU 40 -5.856 -3.741 3.395 322 HD23 LEU 40 2HD2 LEU 40 -5.504 -2.809 1.937 323 H ASN 41 H ASN 41 -9.940 -3.832 2.322 324 HA ASN 41 HA ASN 41 -11.492 -5.391 0.328 325 HB2 ASN 41 1HB ASN 41 -13.507 -4.753 1.617 326 HB3 ASN 41 2HB ASN 41 -12.386 -5.661 2.625 327 HD21 ASN 41 1HD2 ASN 41 -11.299 -4.586 4.329 328 HD22 ASN 41 2HD2 ASN 41 -11.806 -3.034 4.896 329 H SER 42 H SER 42 -13.491 -3.736 -0.331 330 HA SER 42 HA SER 42 -12.026 -1.837 -1.939 331 HB2 SER 42 2HB SER 42 -13.898 -3.311 -2.798 332 HB3 SER 42 1HB SER 42 -15.039 -2.260 -1.937 333 H MET 43 H MET 43 -13.858 -1.588 0.999 334 HA MET 43 HA MET 43 -14.592 1.193 0.739 335 HB2 MET 43 1HB MET 43 -14.509 -0.632 3.180 336 HB3 MET 43 2HB MET 43 -15.116 1.017 3.217 337 HG2 MET 43 1HG MET 43 -16.355 -0.914 1.277 338 HG3 MET 43 2HG MET 43 -16.765 -1.045 2.984 339 HE1 MET 43 3HE MET 43 -16.198 2.268 0.654 340 HE2 MET 43 1HE MET 43 -17.899 2.583 0.297 341 HE3 MET 43 2HE MET 43 -17.131 1.116 -0.302 342 H ASN 44 H ASN 44 -11.997 -0.607 2.390 343 HA ASN 44 HA ASN 44 -10.789 1.880 3.359 344 HB2 ASN 44 1HB ASN 44 -9.507 0.636 4.847 345 HB3 ASN 44 2HB ASN 44 -11.049 -0.204 4.818 346 HD21 ASN 44 1HD2 ASN 44 -8.391 -1.097 5.571 347 HD22 ASN 44 2HD2 ASN 44 -8.040 -2.482 4.608 348 H ILE 45 H ILE 45 -10.415 -0.163 0.619 349 HA ILE 45 HA ILE 45 -7.642 -0.046 0.148 350 HB ILE 45 HB ILE 45 -9.410 -1.446 -1.124 351 HG12 ILE 45 1HG1 ILE 45 -8.020 -1.520 -3.230 352 HG13 ILE 45 2HG1 ILE 45 -7.187 -0.068 -2.685 353 HG21 ILE 45 1HG2 ILE 45 -10.909 0.372 -1.847 354 HG22 ILE 45 2HG2 ILE 45 -10.322 -0.556 -3.227 355 HG23 ILE 45 3HG2 ILE 45 -9.631 1.029 -2.873 356 HD11 ILE 45 3HD1 ILE 45 -5.925 -2.107 -2.265 357 HD12 ILE 45 1HD1 ILE 45 -7.214 -2.709 -1.228 358 HD13 ILE 45 2HD1 ILE 45 -6.308 -1.261 -0.772 359 H VAL 46 H VAL 46 -10.152 2.323 -0.390 360 HA VAL 46 HA VAL 46 -8.691 4.105 -2.081 361 HB VAL 46 HB VAL 46 -10.527 5.719 -1.659 362 HG11 VAL 46 1HG1 VAL 46 -11.549 2.897 -2.200 363 HG12 VAL 46 2HG1 VAL 46 -10.853 3.992 -3.395 364 HG13 VAL 46 3HG1 VAL 46 -12.386 4.395 -2.623 365 HG21 VAL 46 3HG2 VAL 46 -10.946 5.282 0.735 366 HG22 VAL 46 1HG2 VAL 46 -11.579 3.679 0.350 367 HG23 VAL 46 2HG2 VAL 46 -12.445 5.122 -0.181 368 H LYS 47 H LYS 47 -8.879 3.621 1.369 369 HA LYS 47 HA LYS 47 -7.881 6.144 2.264 370 HB2 LYS 47 1HB LYS 47 -7.606 3.433 3.641 371 HB3 LYS 47 2HB LYS 47 -7.514 5.014 4.410 372 HG2 LYS 47 1HG LYS 47 -10.010 3.939 3.060 373 HG3 LYS 47 2HG LYS 47 -9.665 3.737 4.779 374 HD2 LYS 47 1HD LYS 47 -9.863 6.448 3.413 375 HD3 LYS 47 2HD LYS 47 -11.224 5.651 4.202 376 HE2 LYS 47 1HE LYS 47 -9.916 5.647 6.341 377 HE3 LYS 47 2HE LYS 47 -8.640 6.550 5.527 378 HZ1 LYS 47 3HZ LYS 47 -10.119 7.944 6.836 379 HZ2 LYS 47 1HZ LYS 47 -11.430 7.491 5.869 380 HZ3 LYS 47 2HZ LYS 47 -10.147 8.365 5.201 381 H LEU 48 H LEU 48 -6.373 2.998 1.509 382 HA LEU 48 HA LEU 48 -3.677 3.786 1.896 383 HB2 LEU 48 1HB LEU 48 -4.951 1.589 0.237 384 HB3 LEU 48 2HB LEU 48 -3.212 1.816 0.280 385 HG LEU 48 HG LEU 48 -4.984 1.123 2.649 386 HD11 LEU 48 1HD1 LEU 48 -4.649 -0.766 1.129 387 HD12 LEU 48 2HD1 LEU 48 -3.811 -1.020 2.658 388 HD13 LEU 48 3HD1 LEU 48 -2.897 -0.548 1.223 389 HD21 LEU 48 3HD2 LEU 48 -1.969 1.520 2.594 390 HD22 LEU 48 1HD2 LEU 48 -2.920 0.960 3.974 391 HD23 LEU 48 2HD2 LEU 48 -3.139 2.596 3.359 392 H MET 49 H MET 49 -5.824 3.832 -0.926 393 HA MET 49 HA MET 49 -4.006 4.490 -2.917 394 HB2 MET 49 1HB MET 49 -6.392 3.704 -3.181 395 HB3 MET 49 2HB MET 49 -6.930 5.321 -2.751 396 HG2 MET 49 1HG MET 49 -5.644 6.176 -4.733 397 HG3 MET 49 2HG MET 49 -5.353 4.495 -5.186 398 HE1 MET 49 3HE MET 49 -7.430 2.755 -5.644 399 HE2 MET 49 1HE MET 49 -9.114 3.276 -5.714 400 HE3 MET 49 2HE MET 49 -8.260 3.261 -4.171 401 H VAL 50 H VAL 50 -5.830 6.598 -0.703 402 HA VAL 50 HA VAL 50 -4.937 9.073 -1.926 403 HB VAL 50 HB VAL 50 -6.076 10.269 -0.092 404 HG11 VAL 50 1HG1 VAL 50 -8.399 9.564 -0.552 405 HG12 VAL 50 2HG1 VAL 50 -7.809 8.044 -1.228 406 HG13 VAL 50 3HG1 VAL 50 -7.426 9.571 -2.027 407 HG21 VAL 50 3HG2 VAL 50 -5.572 8.726 1.780 408 HG22 VAL 50 1HG2 VAL 50 -6.674 7.528 1.101 409 HG23 VAL 50 2HG2 VAL 50 -7.305 9.064 1.701 410 H TYR 51 H TYR 51 -3.947 7.007 0.734 411 HA TYR 51 HA TYR 51 -2.218 8.751 2.126 412 HB2 TYR 51 1HB TYR 51 -2.925 6.555 3.035 413 HB3 TYR 51 2HB TYR 51 -2.050 5.724 1.766 414 HD1 TYR 51 HD1 TYR 51 -1.557 8.059 4.652 415 HD2 TYR 51 HD2 TYR 51 0.290 5.158 2.098 416 HE1 TYR 51 HE1 TYR 51 0.470 8.126 6.035 417 HE2 TYR 51 HE2 TYR 51 2.306 5.219 3.493 418 HH TYR 51 HH TYR 51 3.394 6.986 5.055 419 H ILE 52 H ILE 52 -1.577 6.359 -0.397 420 HA ILE 52 HA ILE 52 1.201 6.880 -0.763 421 HB ILE 52 HB ILE 52 -0.865 5.496 -2.525 422 HG12 ILE 52 1HG1 ILE 52 1.120 4.050 -0.746 423 HG13 ILE 52 2HG1 ILE 52 -0.360 4.688 -0.045 424 HG21 ILE 52 1HG2 ILE 52 1.125 6.032 -3.863 425 HG22 ILE 52 2HG2 ILE 52 0.992 4.292 -3.604 426 HG23 ILE 52 3HG2 ILE 52 2.155 5.235 -2.672 427 HD11 ILE 52 3HD1 ILE 52 -0.513 2.335 -0.610 428 HD12 ILE 52 1HD1 ILE 52 -0.239 2.714 -2.311 429 HD13 ILE 52 2HD1 ILE 52 -1.689 3.318 -1.488 430 H ARG 53 H ARG 53 -1.761 8.012 -2.353 431 HA ARG 53 HA ARG 53 -0.685 9.609 -4.385 432 HB2 ARG 53 1HB ARG 53 -3.042 9.130 -4.382 433 HB3 ARG 53 2HB ARG 53 -3.258 9.819 -2.787 434 HG2 ARG 53 1HG ARG 53 -2.352 11.654 -4.992 435 HG3 ARG 53 2HG ARG 53 -4.030 11.116 -5.004 436 HD2 ARG 53 1HD ARG 53 -4.487 12.157 -2.904 437 HD3 ARG 53 2HD ARG 53 -2.770 12.353 -2.537 438 HE ARG 53 HE ARG 53 -3.796 13.792 -4.867 439 HH11 ARG 53 1HH1 ARG 53 -2.796 13.984 -1.497 440 HH12 ARG 53 2HH1 ARG 53 -2.627 15.709 -1.522 441 HH21 ARG 53 1HH2 ARG 53 -3.618 16.057 -4.864 442 HH22 ARG 53 2HH2 ARG 53 -3.098 16.889 -3.430 443 H ASP 54 H ASP 54 -1.123 10.279 -0.942 444 HA ASP 54 HA ASP 54 -0.530 13.109 -1.184 445 HB2 ASP 54 1HB ASP 54 -2.149 12.223 0.492 446 HB3 ASP 54 2HB ASP 54 -0.840 11.349 1.281 447 H GLU 55 H GLU 55 1.045 10.347 0.439 448 HA GLU 55 HA GLU 55 3.362 11.594 1.368 449 HB2 GLU 55 1HB GLU 55 2.760 8.682 0.714 450 HB3 GLU 55 2HB GLU 55 4.292 9.172 1.431 451 HG2 GLU 55 1HG GLU 55 1.575 9.649 2.685 452 HG3 GLU 55 2HG GLU 55 2.632 8.292 3.064 453 H MET 56 H MET 56 3.177 9.319 -1.380 454 HA MET 56 HA MET 56 5.825 10.253 -2.293 455 HB2 MET 56 1HB MET 56 6.018 7.998 -3.365 456 HB3 MET 56 2HB MET 56 5.895 7.964 -1.617 457 HG2 MET 56 1HG MET 56 3.296 7.613 -2.201 458 HG3 MET 56 2HG MET 56 4.004 6.945 -3.671 459 HE1 MET 56 3HE MET 56 5.138 5.440 0.548 460 HE2 MET 56 1HE MET 56 3.780 6.545 0.314 461 HE3 MET 56 2HE MET 56 5.419 7.075 -0.073 462 H GLY 57 H GLY 57 2.708 10.834 -3.020 463 HA2 GLY 57 1HA GLY 57 1.730 11.925 -4.761 464 HA3 GLY 57 2HA GLY 57 3.317 12.093 -5.490 465 H VAL 58 H VAL 58 1.556 9.103 -4.712 466 HA VAL 58 HA VAL 58 1.465 8.393 -7.598 467 HB VAL 58 HB VAL 58 2.100 6.500 -5.291 468 HG11 VAL 58 1HG1 VAL 58 2.018 5.937 -8.285 469 HG12 VAL 58 2HG1 VAL 58 0.874 5.341 -7.080 470 HG13 VAL 58 3HG1 VAL 58 2.552 4.798 -7.044 471 HG21 VAL 58 3HG2 VAL 58 3.962 7.589 -7.428 472 HG22 VAL 58 1HG2 VAL 58 4.375 6.338 -6.253 473 HG23 VAL 58 2HG2 VAL 58 4.003 7.974 -5.706 474 H SER 59 H SER 59 -0.625 8.358 -8.133 475 HA SER 59 HA SER 59 -2.688 7.394 -6.275 476 HB2 SER 59 1HB SER 59 -3.192 9.488 -7.461 477 HB3 SER 59 2HB SER 59 -2.939 8.703 -9.018 478 HG SER 59 HG SER 59 -4.861 7.860 -8.906 479 H ILE 60 H ILE 60 -3.689 5.470 -6.547 480 HA ILE 60 HA ILE 60 -2.713 3.646 -8.627 481 HB ILE 60 HB ILE 60 -4.301 3.002 -6.102 482 HG12 ILE 60 1HG1 ILE 60 -2.066 1.834 -5.415 483 HG13 ILE 60 2HG1 ILE 60 -1.306 2.817 -6.658 484 HG21 ILE 60 1HG2 ILE 60 -3.790 0.645 -6.612 485 HG22 ILE 60 2HG2 ILE 60 -3.004 1.138 -8.112 486 HG23 ILE 60 3HG2 ILE 60 -4.737 1.399 -7.895 487 HD11 ILE 60 3HD1 ILE 60 -1.023 3.757 -4.445 488 HD12 ILE 60 1HD1 ILE 60 -2.772 3.836 -4.233 489 HD13 ILE 60 2HD1 ILE 60 -1.983 4.837 -5.457 490 HA PRO 61 HA PRO 61 -6.794 4.418 -10.585 491 HB2 PRO 61 1HB PRO 61 -6.360 2.868 -12.833 492 HB3 PRO 61 2HB PRO 61 -5.715 4.512 -12.648 493 HG2 PRO 61 1HG PRO 61 -4.311 1.891 -12.205 494 HG3 PRO 61 2HG PRO 61 -3.727 3.352 -13.033 495 HD2 PRO 61 1HD PRO 61 -3.008 2.776 -10.481 496 HD3 PRO 61 2HD PRO 61 -3.224 4.453 -11.038 497 H SER 62 H SER 62 -8.677 3.140 -11.021 498 HA SER 62 HA SER 62 -9.052 1.061 -9.115 499 HB2 SER 62 1HB SER 62 -10.955 1.941 -11.317 500 HB3 SER 62 2HB SER 62 -11.371 1.095 -9.823 501 HG SER 62 HG SER 62 -11.070 2.906 -8.684 502 H THR 63 H THR 63 -8.475 1.059 -12.592 503 HA THR 63 HA THR 63 -9.045 -1.625 -13.222 504 HB THR 63 HB THR 63 -8.631 -0.025 -15.006 505 HG1 THR 63 HG1 THR 63 -6.729 -1.243 -16.045 506 HG21 THR 63 3HG2 THR 63 -6.985 1.452 -13.918 507 HG22 THR 63 1HG2 THR 63 -6.403 0.919 -15.496 508 HG23 THR 63 2HG2 THR 63 -5.759 0.186 -14.025 509 H HIS 64 H HIS 64 -6.327 -0.135 -11.607 510 HA HIS 64 HA HIS 64 -4.557 -2.420 -11.806 511 HB2 HIS 64 1HB HIS 64 -3.602 -0.165 -11.863 512 HB3 HIS 64 2HB HIS 64 -4.326 0.230 -10.308 513 HD1 HIS 64 HD1 HIS 64 -3.289 -0.932 -8.215 514 HD2 HIS 64 HD2 HIS 64 -1.224 -1.566 -11.748 515 HE1 HIS 64 HE1 HIS 64 -1.069 -1.834 -7.523 516 HE2 HIS 64 HE2 HIS 64 0.120 -2.314 -9.703 517 H ILE 65 H ILE 65 -7.045 -1.342 -9.618 518 HA ILE 65 HA ILE 65 -6.098 -2.525 -7.195 519 HB ILE 65 HB ILE 65 -9.029 -2.053 -7.884 520 HG12 ILE 65 1HG1 ILE 65 -7.647 0.042 -8.205 521 HG13 ILE 65 2HG1 ILE 65 -8.871 0.185 -6.953 522 HG21 ILE 65 1HG2 ILE 65 -8.677 -3.445 -5.884 523 HG22 ILE 65 2HG2 ILE 65 -9.314 -1.868 -5.417 524 HG23 ILE 65 3HG2 ILE 65 -7.599 -2.228 -5.195 525 HD11 ILE 65 3HD1 ILE 65 -6.789 1.244 -6.348 526 HD12 ILE 65 1HD1 ILE 65 -5.939 -0.293 -6.488 527 HD13 ILE 65 2HD1 ILE 65 -7.178 -0.073 -5.245 528 H THR 66 H THR 66 -5.383 -4.579 -7.689 529 HA THR 66 HA THR 66 -7.383 -6.667 -7.734 530 HB THR 66 HB THR 66 -7.050 -6.338 -10.150 531 HG1 THR 66 HG1 THR 66 -7.265 -8.494 -9.202 532 HG21 THR 66 3HG2 THR 66 -4.110 -6.956 -9.661 533 HG22 THR 66 1HG2 THR 66 -4.760 -5.395 -10.170 534 HG23 THR 66 2HG2 THR 66 -4.879 -6.794 -11.241 535 H GLY 67 H GLY 67 -6.457 -8.775 -7.269 536 HA2 GLY 67 1HA GLY 67 -4.996 -8.564 -4.896 537 HA3 GLY 67 2HA GLY 67 -5.445 -10.058 -5.699 538 H LYS 68 H LYS 68 -3.808 -9.015 -8.092 539 HA LYS 68 HA LYS 68 -1.468 -10.507 -7.662 540 HB2 LYS 68 1HB LYS 68 -1.989 -8.346 -9.751 541 HB3 LYS 68 2HB LYS 68 -0.712 -9.558 -9.826 542 HG2 LYS 68 1HG LYS 68 -2.419 -11.349 -9.980 543 HG3 LYS 68 2HG LYS 68 -3.696 -10.133 -9.908 544 HD2 LYS 68 1HD LYS 68 -3.288 -10.881 -12.225 545 HD3 LYS 68 2HD LYS 68 -2.915 -9.163 -12.043 546 HE2 LYS 68 1HE LYS 68 -0.502 -9.727 -11.874 547 HE3 LYS 68 2HE LYS 68 -0.892 -11.438 -12.060 548 HZ1 LYS 68 3HZ LYS 68 -1.468 -9.338 -14.055 549 HZ2 LYS 68 1HZ LYS 68 -1.707 -10.996 -14.251 550 HZ3 LYS 68 2HZ LYS 68 -0.140 -10.377 -14.107 551 H TYR 69 H TYR 69 -2.036 -7.018 -7.677 552 HA TYR 69 HA TYR 69 0.743 -6.406 -6.960 553 HB2 TYR 69 1HB TYR 69 -1.543 -4.509 -7.633 554 HB3 TYR 69 2HB TYR 69 0.168 -4.096 -7.517 555 HD1 TYR 69 HD1 TYR 69 1.793 -5.304 -9.182 556 HD2 TYR 69 HD2 TYR 69 -2.444 -5.150 -9.741 557 HE1 TYR 69 HE1 TYR 69 2.086 -5.836 -11.561 558 HE2 TYR 69 HE2 TYR 69 -2.147 -5.679 -12.118 559 HH TYR 69 HH TYR 69 -0.419 -5.526 -13.839 560 H PHE 70 H PHE 70 -2.213 -6.936 -5.401 561 HA PHE 70 HA PHE 70 -1.542 -5.192 -3.096 562 HB2 PHE 70 1HB PHE 70 -4.206 -6.087 -4.265 563 HB3 PHE 70 2HB PHE 70 -4.097 -5.526 -2.600 564 HD1 PHE 70 HD1 PHE 70 -3.858 -4.493 -6.149 565 HD2 PHE 70 HD2 PHE 70 -3.600 -3.179 -2.088 566 HE1 PHE 70 HE1 PHE 70 -3.906 -2.153 -6.896 567 HE2 PHE 70 HE2 PHE 70 -3.658 -0.846 -2.844 568 HZ PHE 70 HZ PHE 70 -3.807 -0.320 -5.241 569 H LYS 71 H LYS 71 -0.775 -8.103 -3.850 570 HA LYS 71 HA LYS 71 -1.929 -9.783 -1.851 571 HB2 LYS 71 1HB LYS 71 -0.145 -11.390 -2.435 572 HB3 LYS 71 2HB LYS 71 -0.930 -10.753 -3.872 573 HG2 LYS 71 1HG LYS 71 0.971 -9.288 -4.325 574 HG3 LYS 71 2HG LYS 71 1.746 -9.775 -2.817 575 HD2 LYS 71 1HD LYS 71 2.786 -10.914 -4.718 576 HD3 LYS 71 2HD LYS 71 1.965 -12.089 -3.681 577 HE2 LYS 71 1HE LYS 71 0.084 -12.194 -5.241 578 HE3 LYS 71 2HE LYS 71 0.800 -10.926 -6.236 579 HZ1 LYS 71 3HZ LYS 71 1.179 -13.083 -7.177 580 HZ2 LYS 71 1HZ LYS 71 1.930 -13.614 -5.762 581 HZ3 LYS 71 2HZ LYS 71 2.649 -12.407 -6.693 582 H ASP 72 H ASP 72 1.082 -7.889 -2.066 583 HA ASP 72 HA ASP 72 1.312 -7.663 0.802 584 HB2 ASP 72 1HB ASP 72 3.338 -8.800 1.173 585 HB3 ASP 72 2HB ASP 72 2.532 -9.894 0.070 586 H LEU 73 H LEU 73 3.501 -6.408 1.234 587 HA LEU 73 HA LEU 73 3.125 -3.898 -0.062 588 HB2 LEU 73 1HB LEU 73 5.084 -4.895 1.986 589 HB3 LEU 73 2HB LEU 73 5.159 -3.254 1.372 590 HG LEU 73 HG LEU 73 2.772 -4.438 2.812 591 HD11 LEU 73 1HD1 LEU 73 4.732 -4.242 4.260 592 HD12 LEU 73 2HD1 LEU 73 3.501 -3.062 4.697 593 HD13 LEU 73 3HD1 LEU 73 4.928 -2.554 3.787 594 HD21 LEU 73 3HD2 LEU 73 2.159 -2.651 1.217 595 HD22 LEU 73 1HD2 LEU 73 3.375 -1.585 1.929 596 HD23 LEU 73 2HD2 LEU 73 1.974 -2.092 2.881 597 H ASN 74 H ASN 74 5.486 -6.481 -0.549 598 HA ASN 74 HA ASN 74 7.331 -4.855 -2.006 599 HB2 ASN 74 1HB ASN 74 6.864 -7.866 -2.003 600 HB3 ASN 74 2HB ASN 74 8.042 -7.128 -3.079 601 HD21 ASN 74 1HD2 ASN 74 7.311 -7.981 0.203 602 HD22 ASN 74 2HD2 ASN 74 8.856 -7.568 0.873 603 H ALA 75 H ALA 75 4.507 -6.814 -2.938 604 HA ALA 75 HA ALA 75 4.645 -6.296 -5.747 605 HB1 ALA 75 3HB ALA 75 2.278 -7.135 -4.054 606 HB2 ALA 75 1HB ALA 75 3.443 -8.221 -4.816 607 HB3 ALA 75 2HB ALA 75 2.379 -7.226 -5.815 608 H ILE 76 H ILE 76 3.149 -4.620 -3.014 609 HA ILE 76 HA ILE 76 1.708 -2.627 -4.426 610 HB ILE 76 HB ILE 76 3.081 -2.436 -1.703 611 HG12 ILE 76 1HG1 ILE 76 1.264 -4.164 -1.842 612 HG13 ILE 76 2HG1 ILE 76 0.907 -2.879 -0.697 613 HG21 ILE 76 1HG2 ILE 76 2.730 -0.168 -2.564 614 HG22 ILE 76 2HG2 ILE 76 1.608 -0.476 -1.239 615 HG23 ILE 76 3HG2 ILE 76 1.034 -0.527 -2.908 616 HD11 ILE 76 3HD1 ILE 76 -0.610 -1.857 -2.309 617 HD12 ILE 76 1HD1 ILE 76 -1.041 -3.530 -1.962 618 HD13 ILE 76 2HD1 ILE 76 -0.231 -3.131 -3.474 619 H SER 77 H SER 77 5.043 -2.722 -3.175 620 HA SER 77 HA SER 77 5.649 -0.015 -3.791 621 HB2 SER 77 1HB SER 77 6.780 -1.258 -1.970 622 HB3 SER 77 2HB SER 77 7.529 -2.326 -3.155 623 HG SER 77 HG SER 77 8.086 0.195 -3.840 624 H ARG 78 H ARG 78 6.285 -3.114 -5.433 625 HA ARG 78 HA ARG 78 8.171 -2.193 -7.301 626 HB2 ARG 78 1HB ARG 78 7.829 -4.265 -8.537 627 HB3 ARG 78 2HB ARG 78 7.825 -4.610 -6.810 628 HG2 ARG 78 1HG ARG 78 5.454 -4.901 -6.772 629 HG3 ARG 78 2HG ARG 78 5.277 -4.277 -8.412 630 HD2 ARG 78 1HD ARG 78 6.745 -6.839 -7.696 631 HD3 ARG 78 2HD ARG 78 5.070 -6.765 -8.267 632 HE ARG 78 HE ARG 78 6.764 -5.381 -10.062 633 HH11 ARG 78 1HH1 ARG 78 5.956 -8.677 -9.172 634 HH12 ARG 78 2HH1 ARG 78 6.394 -9.321 -10.722 635 HH21 ARG 78 1HH2 ARG 78 7.315 -6.217 -12.067 636 HH22 ARG 78 2HH2 ARG 78 7.163 -7.925 -12.367 637 H THR 79 H THR 79 4.663 -2.298 -7.365 638 HA THR 79 HA THR 79 4.504 -1.382 -10.114 639 HB THR 79 HB THR 79 2.872 -3.080 -9.139 640 HG1 THR 79 HG1 THR 79 2.471 -1.851 -11.065 641 HG21 THR 79 3HG2 THR 79 2.415 -1.929 -6.962 642 HG22 THR 79 1HG2 THR 79 0.946 -2.265 -7.887 643 HG23 THR 79 2HG2 THR 79 1.601 -0.630 -7.851 644 H VAL 80 H VAL 80 4.369 0.007 -6.864 645 HA VAL 80 HA VAL 80 3.247 2.550 -7.551 646 HB VAL 80 HB VAL 80 4.979 1.625 -5.217 647 HG11 VAL 80 1HG1 VAL 80 5.661 3.967 -5.579 648 HG12 VAL 80 2HG1 VAL 80 4.709 3.827 -4.099 649 HG13 VAL 80 3HG1 VAL 80 3.972 4.472 -5.566 650 HG21 VAL 80 3HG2 VAL 80 2.947 2.053 -3.870 651 HG22 VAL 80 1HG2 VAL 80 2.605 0.944 -5.203 652 HG23 VAL 80 2HG2 VAL 80 2.112 2.633 -5.312 653 H GLU 81 H GLU 81 6.515 1.202 -7.657 654 HA GLU 81 HA GLU 81 7.969 3.493 -8.408 655 HB2 GLU 81 1HB GLU 81 8.381 0.579 -9.197 656 HB3 GLU 81 2HB GLU 81 9.575 1.851 -9.455 657 HG2 GLU 81 1HG GLU 81 9.732 2.204 -7.022 658 HG3 GLU 81 2HG GLU 81 8.527 0.954 -6.752 659 H GLN 82 H GLN 82 6.039 1.208 -10.278 660 HA GLN 82 HA GLN 82 6.663 2.329 -12.863 661 HB2 GLN 82 1HB GLN 82 6.096 -0.055 -12.674 662 HB3 GLN 82 2HB GLN 82 4.509 0.343 -12.023 663 HG2 GLN 82 1HG GLN 82 4.357 -0.317 -14.383 664 HG3 GLN 82 2HG GLN 82 3.860 1.363 -14.168 665 HE21 GLN 82 1HE2 GLN 82 4.296 2.020 -16.265 666 HE22 GLN 82 2HE2 GLN 82 5.883 2.121 -16.932 667 H LEU 83 H LEU 83 3.959 2.580 -10.587 668 HA LEU 83 HA LEU 83 2.198 4.065 -12.291 669 HB2 LEU 83 1HB LEU 83 2.196 3.526 -9.301 670 HB3 LEU 83 2HB LEU 83 0.938 4.468 -10.085 671 HG LEU 83 HG LEU 83 1.557 1.537 -10.635 672 HD11 LEU 83 1HD1 LEU 83 -0.570 1.038 -9.534 673 HD12 LEU 83 2HD1 LEU 83 -0.790 2.746 -9.145 674 HD13 LEU 83 3HD1 LEU 83 0.548 1.842 -8.431 675 HD21 LEU 83 3HD2 LEU 83 -0.498 1.529 -12.004 676 HD22 LEU 83 1HD2 LEU 83 0.719 2.622 -12.664 677 HD23 LEU 83 2HD2 LEU 83 -0.664 3.272 -11.779 678 H LYS 84 H LYS 84 4.751 4.906 -10.069 679 HA LYS 84 HA LYS 84 4.182 7.696 -9.843 680 HB2 LYS 84 1HB LYS 84 5.698 6.400 -8.288 681 HB3 LYS 84 2HB LYS 84 6.881 6.299 -9.586 682 HG2 LYS 84 1HG LYS 84 7.212 8.707 -9.566 683 HG3 LYS 84 2HG LYS 84 5.863 8.925 -8.450 684 HD2 LYS 84 1HD LYS 84 8.033 9.133 -7.293 685 HD3 LYS 84 2HD LYS 84 7.103 7.767 -6.673 686 HE2 LYS 84 1HE LYS 84 9.467 7.153 -6.930 687 HE3 LYS 84 2HE LYS 84 8.479 6.225 -8.057 688 HZ1 LYS 84 3HZ LYS 84 9.110 7.808 -9.801 689 HZ2 LYS 84 1HZ LYS 84 10.442 7.013 -9.142 690 HZ3 LYS 84 2HZ LYS 84 10.120 8.610 -8.714 691 H ALA 85 H ALA 85 5.976 5.665 -12.116 692 HA ALA 85 HA ALA 85 7.090 7.777 -13.709 693 HB1 ALA 85 3HB ALA 85 7.612 5.994 -15.339 694 HB2 ALA 85 1HB ALA 85 6.587 4.861 -14.444 695 HB3 ALA 85 2HB ALA 85 8.064 5.494 -13.707 696 H GLU 86 H GLU 86 4.157 5.825 -13.797 697 HA GLU 86 HA GLU 86 3.143 6.685 -16.310 698 HB2 GLU 86 1HB GLU 86 1.772 5.400 -13.909 699 HB3 GLU 86 2HB GLU 86 0.978 5.670 -15.459 700 HG2 GLU 86 1HG GLU 86 3.435 3.947 -15.029 701 HG3 GLU 86 2HG GLU 86 1.797 3.340 -15.206 702 H SER 87 H SER 87 2.757 7.867 -12.994 703 HA SER 87 HA SER 87 0.802 9.879 -13.745 704 HB2 SER 87 1HB SER 87 0.696 8.813 -11.500 705 HB3 SER 87 2HB SER 87 2.261 9.515 -11.098 706 HG SER 87 HG SER 87 0.200 11.212 -11.976 707 H ALA 88 H ALA 88 4.308 9.739 -13.214 708 HA ALA 88 HA ALA 88 4.804 12.552 -13.158 709 HB1 ALA 88 3HB ALA 88 6.500 10.906 -12.389 710 HB2 ALA 88 1HB ALA 88 7.158 11.970 -13.636 711 HB3 ALA 88 2HB ALA 88 6.681 10.320 -14.043 712 H LEU 89 H LEU 89 4.769 10.130 -15.747 713 HA LEU 89 HA LEU 89 5.255 12.036 -17.871 714 HB2 LEU 89 1HB LEU 89 4.804 9.043 -17.771 715 HB3 LEU 89 2HB LEU 89 4.686 9.889 -19.302 716 HG LEU 89 HG LEU 89 7.031 10.679 -19.061 717 HD11 LEU 89 1HD1 LEU 89 8.553 9.744 -17.381 718 HD12 LEU 89 2HD1 LEU 89 7.197 8.947 -16.580 719 HD13 LEU 89 3HD1 LEU 89 7.280 10.709 -16.628 720 HD21 LEU 89 3HD2 LEU 89 8.129 8.526 -19.521 721 HD22 LEU 89 1HD2 LEU 89 6.582 8.671 -20.355 722 HD23 LEU 89 2HD2 LEU 89 6.713 7.671 -18.904 723 H GLU 90 H GLU 90 2.507 11.288 -16.095 724 HA GLU 90 HA GLU 90 0.560 11.696 -18.230 725 HB2 GLU 90 1HB GLU 90 -0.055 10.225 -16.347 726 HB3 GLU 90 2HB GLU 90 0.220 11.522 -15.192 727 HG2 GLU 90 1HG GLU 90 -2.175 11.151 -15.566 728 HG3 GLU 90 2HG GLU 90 -1.690 12.762 -16.089 729 H282 PNS 101 2H28 PNS 142 -13.130 -2.896 -6.977 730 H281 PNS 101 3H28 PNS 142 -12.424 -2.435 -5.427 731 H303 PNS 101 2H51 PNS 142 -13.562 -4.815 -3.825 732 H302 PNS 101 3H51 PNS 142 -11.908 -4.222 -3.713 733 H301 PNS 101 1H51 PNS 142 -12.214 -5.928 -4.086 734 H313 PNS 101 2H52 PNS 142 -10.795 -5.686 -6.148 735 H312 PNS 101 3H52 PNS 142 -11.153 -4.440 -7.342 736 H311 PNS 101 1H52 PNS 142 -10.516 -3.986 -5.754 737 H32 PNS 101 H32 PNS 142 -14.527 -5.406 -6.155 738 H33 PNS 101 H33 PNS 142 -13.769 -4.395 -8.070 739 H36 PNS 101 H36 PNS 142 -11.813 -6.953 -7.750 740 H372 PNS 101 2H37 PNS 142 -11.143 -9.134 -7.903 741 H371 PNS 101 3H37 PNS 142 -12.488 -9.602 -6.868 742 H382 PNS 101 2H38 PNS 142 -10.340 -10.156 -5.795 743 H381 PNS 101 3H38 PNS 142 -11.189 -8.916 -4.872 744 H41 PNS 101 H41 PNS 142 -9.900 -7.302 -4.156 745 H422 PNS 101 2H42 PNS 142 -7.189 -6.906 -5.060 746 H421 PNS 101 3H42 PNS 142 -8.272 -5.581 -5.491 747 H431 PNS 101 2H43 PNS 142 -7.776 -6.579 -2.667 748 H432 PNS 101 3H43 PNS 142 -7.088 -5.108 -3.374 749 H44 PNS 101 H44 PNS 142 -10.427 -5.711 -2.875 Start of MODEL 15 1 H1 MET 1 1H MET 1 16.849 3.717 -5.553 2 H2 MET 1 2H MET 1 16.320 5.318 -5.633 3 H3 MET 1 3H MET 1 16.469 4.406 -7.043 4 HA MET 1 HA MET 1 14.166 4.656 -6.374 5 HB2 MET 1 1HB MET 1 15.169 1.784 -6.077 6 HB3 MET 1 2HB MET 1 13.530 2.265 -6.507 7 HG2 MET 1 1HG MET 1 16.026 2.638 -8.186 8 HG3 MET 1 2HG MET 1 14.703 1.513 -8.486 9 HE1 MET 1 3HE MET 1 11.799 4.019 -9.486 10 HE2 MET 1 1HE MET 1 12.115 3.383 -7.872 11 HE3 MET 1 2HE MET 1 12.228 2.321 -9.278 12 H ASP 2 H ASP 2 12.880 5.034 -4.676 13 HA ASP 2 HA ASP 2 13.746 4.725 -1.992 14 HB2 ASP 2 1HB ASP 2 11.321 5.471 -1.454 15 HB3 ASP 2 2HB ASP 2 12.384 6.593 -2.282 16 H GLY 3 H GLY 3 10.602 3.404 -3.137 17 HA2 GLY 3 1HA GLY 3 9.685 1.325 -3.078 18 HA3 GLY 3 2HA GLY 3 11.294 0.667 -2.830 19 H GLU 4 H GLU 4 12.132 1.041 -0.535 20 HA GLU 4 HA GLU 4 10.558 -0.304 1.351 21 HB2 GLU 4 1HB GLU 4 13.045 1.373 1.885 22 HB3 GLU 4 2HB GLU 4 12.461 0.011 2.844 23 HG2 GLU 4 1HG GLU 4 13.005 -1.539 1.072 24 HG3 GLU 4 2HG GLU 4 13.385 -0.214 -0.027 25 H GLU 5 H GLU 5 11.369 3.083 0.890 26 HA GLU 5 HA GLU 5 10.193 4.341 3.069 27 HB2 GLU 5 1HB GLU 5 10.173 5.256 0.157 28 HB3 GLU 5 2HB GLU 5 9.815 6.296 1.535 29 HG2 GLU 5 1HG GLU 5 12.473 4.899 1.084 30 HG3 GLU 5 2HG GLU 5 12.125 6.562 0.613 31 H VAL 6 H VAL 6 8.705 3.479 -0.033 32 HA VAL 6 HA VAL 6 6.044 4.183 0.384 33 HB VAL 6 HB VAL 6 7.174 1.860 -1.260 34 HG11 VAL 6 1HG1 VAL 6 4.787 1.486 -0.948 35 HG12 VAL 6 2HG1 VAL 6 5.105 1.953 -2.618 36 HG13 VAL 6 3HG1 VAL 6 4.425 3.129 -1.488 37 HG21 VAL 6 3HG2 VAL 6 8.130 4.009 -1.932 38 HG22 VAL 6 1HG2 VAL 6 6.513 4.697 -2.121 39 HG23 VAL 6 2HG2 VAL 6 7.054 3.401 -3.192 40 H LYS 7 H LYS 7 7.665 1.072 1.038 41 HA LYS 7 HA LYS 7 5.361 -0.400 1.700 42 HB2 LYS 7 1HB LYS 7 8.295 -0.865 2.335 43 HB3 LYS 7 2HB LYS 7 7.034 -2.040 2.714 44 HG2 LYS 7 1HG LYS 7 6.434 -2.128 0.297 45 HG3 LYS 7 2HG LYS 7 7.776 -1.037 -0.058 46 HD2 LYS 7 1HD LYS 7 8.107 -3.745 1.298 47 HD3 LYS 7 2HD LYS 7 8.238 -3.504 -0.445 48 HE2 LYS 7 1HE LYS 7 10.183 -2.125 -0.198 49 HE3 LYS 7 2HE LYS 7 9.958 -2.005 1.547 50 HZ1 LYS 7 3HZ LYS 7 10.637 -4.482 0.070 51 HZ2 LYS 7 1HZ LYS 7 10.414 -4.353 1.739 52 HZ3 LYS 7 2HZ LYS 7 11.696 -3.552 0.996 53 H GLU 8 H GLU 8 7.788 1.127 3.904 54 HA GLU 8 HA GLU 8 6.502 0.219 6.262 55 HB2 GLU 8 1HB GLU 8 8.841 0.655 6.426 56 HB3 GLU 8 2HB GLU 8 8.687 2.264 5.728 57 HG2 GLU 8 1HG GLU 8 7.762 3.163 7.685 58 HG3 GLU 8 2HG GLU 8 7.360 1.584 8.338 59 H LYS 9 H LYS 9 6.251 3.195 4.350 60 HA LYS 9 HA LYS 9 4.658 4.714 6.102 61 HB2 LYS 9 1HB LYS 9 4.926 4.657 3.085 62 HB3 LYS 9 2HB LYS 9 3.763 5.729 3.853 63 HG2 LYS 9 1HG LYS 9 5.578 6.817 5.115 64 HG3 LYS 9 2HG LYS 9 6.757 5.737 4.358 65 HD2 LYS 9 1HD LYS 9 6.281 6.685 2.155 66 HD3 LYS 9 2HD LYS 9 4.964 7.661 2.818 67 HE2 LYS 9 1HE LYS 9 7.917 7.952 3.477 68 HE3 LYS 9 2HE LYS 9 6.957 9.047 2.479 69 HZ1 LYS 9 3HZ LYS 9 5.555 9.455 4.467 70 HZ2 LYS 9 1HZ LYS 9 7.158 9.960 4.665 71 HZ3 LYS 9 2HZ LYS 9 6.627 8.529 5.378 72 H ILE 10 H ILE 10 3.662 2.553 3.437 73 HA ILE 10 HA ILE 10 0.878 2.905 3.748 74 HB ILE 10 HB ILE 10 2.408 0.588 2.487 75 HG12 ILE 10 1HG1 ILE 10 1.158 3.067 1.228 76 HG13 ILE 10 2HG1 ILE 10 2.878 2.832 1.512 77 HG21 ILE 10 1HG2 ILE 10 0.340 0.067 1.225 78 HG22 ILE 10 2HG2 ILE 10 -0.534 1.310 2.124 79 HG23 ILE 10 3HG2 ILE 10 0.085 -0.113 2.963 80 HD11 ILE 10 3HD1 ILE 10 2.326 2.452 -0.783 81 HD12 ILE 10 1HD1 ILE 10 1.147 1.220 -0.344 82 HD13 ILE 10 2HD1 ILE 10 2.867 0.947 -0.046 83 H ARG 11 H ARG 11 3.077 0.331 4.892 84 HA ARG 11 HA ARG 11 1.167 -1.340 6.066 85 HB2 ARG 11 1HB ARG 11 2.934 -2.560 7.048 86 HB3 ARG 11 2HB ARG 11 3.596 -1.895 5.576 87 HG2 ARG 11 1HG ARG 11 5.379 -1.517 6.909 88 HG3 ARG 11 2HG ARG 11 4.514 -0.019 7.215 89 HD2 ARG 11 1HD ARG 11 4.453 -0.484 9.426 90 HD3 ARG 11 2HD ARG 11 3.611 -1.994 9.124 91 HE ARG 11 HE ARG 11 5.577 -3.130 9.368 92 HH11 ARG 11 1HH1 ARG 11 6.342 0.267 9.221 93 HH12 ARG 11 2HH1 ARG 11 7.983 0.058 9.708 94 HH21 ARG 11 1HH2 ARG 11 7.735 -3.440 9.980 95 HH22 ARG 11 2HH2 ARG 11 8.784 -2.068 10.147 96 H ARG 12 H ARG 12 2.877 1.470 7.305 97 HA ARG 12 HA ARG 12 2.123 1.266 9.996 98 HB2 ARG 12 1HB ARG 12 3.527 3.196 8.325 99 HB3 ARG 12 2HB ARG 12 2.378 4.076 9.316 100 HG2 ARG 12 1HG ARG 12 4.587 4.003 10.341 101 HG3 ARG 12 2HG ARG 12 3.411 3.151 11.348 102 HD2 ARG 12 1HD ARG 12 4.237 1.003 10.451 103 HD3 ARG 12 2HD ARG 12 5.402 1.872 9.451 104 HE ARG 12 HE ARG 12 5.646 1.201 12.219 105 HH11 ARG 12 1HH1 ARG 12 6.635 3.710 9.911 106 HH12 ARG 12 2HH1 ARG 12 8.045 4.140 10.832 107 HH21 ARG 12 1HH2 ARG 12 7.541 1.764 13.347 108 HH22 ARG 12 2HH2 ARG 12 8.552 3.054 12.760 109 H TYR 13 H TYR 13 0.624 2.966 7.248 110 HA TYR 13 HA TYR 13 -1.485 4.167 8.710 111 HB2 TYR 13 1HB TYR 13 -0.668 4.853 6.418 112 HB3 TYR 13 2HB TYR 13 -1.481 3.430 5.755 113 HD1 TYR 13 HD1 TYR 13 -2.295 6.305 8.064 114 HD2 TYR 13 HD2 TYR 13 -3.611 3.860 4.823 115 HE1 TYR 13 HE1 TYR 13 -4.339 7.637 7.896 116 HE2 TYR 13 HE2 TYR 13 -5.660 5.186 4.660 117 HH TYR 13 HH TYR 13 -7.040 6.595 6.202 118 H ILE 14 H ILE 14 -1.193 1.043 7.059 119 HA ILE 14 HA ILE 14 -3.858 0.157 7.222 120 HB ILE 14 HB ILE 14 -1.300 -1.507 7.410 121 HG12 ILE 14 1HG1 ILE 14 -2.991 -1.071 4.912 122 HG13 ILE 14 2HG1 ILE 14 -1.659 -0.001 5.328 123 HG21 ILE 14 1HG2 ILE 14 -3.231 -2.827 8.178 124 HG22 ILE 14 2HG2 ILE 14 -2.659 -3.424 6.621 125 HG23 ILE 14 3HG2 ILE 14 -4.116 -2.430 6.701 126 HD11 ILE 14 3HD1 ILE 14 -1.449 -2.954 4.776 127 HD12 ILE 14 1HD1 ILE 14 -0.118 -1.893 5.263 128 HD13 ILE 14 2HD1 ILE 14 -0.945 -1.627 3.727 129 H MET 15 H MET 15 -1.222 0.166 9.537 130 HA MET 15 HA MET 15 -2.518 -1.404 11.565 131 HB2 MET 15 1HB MET 15 -0.042 0.373 11.651 132 HB3 MET 15 2HB MET 15 -0.511 -0.772 12.910 133 HG2 MET 15 1HG MET 15 -0.035 -2.634 11.571 134 HG3 MET 15 2HG MET 15 -0.147 -1.707 10.079 135 HE1 MET 15 3HE MET 15 3.446 -1.568 12.925 136 HE2 MET 15 1HE MET 15 1.908 -2.360 13.271 137 HE3 MET 15 2HE MET 15 2.015 -0.592 13.271 138 H GLU 16 H GLU 16 -2.297 2.024 10.848 139 HA GLU 16 HA GLU 16 -3.232 2.927 13.447 140 HB2 GLU 16 1HB GLU 16 -2.926 4.526 10.866 141 HB3 GLU 16 2HB GLU 16 -3.097 5.185 12.491 142 HG2 GLU 16 1HG GLU 16 -0.739 3.577 11.465 143 HG3 GLU 16 2HG GLU 16 -0.793 5.332 11.631 144 H ASP 17 H ASP 17 -4.456 3.475 10.154 145 HA ASP 17 HA ASP 17 -7.035 4.322 11.117 146 HB2 ASP 17 1HB ASP 17 -5.990 5.620 9.397 147 HB3 ASP 17 2HB ASP 17 -5.709 4.204 8.398 148 H LEU 18 H LEU 18 -5.804 1.622 9.112 149 HA LEU 18 HA LEU 18 -8.435 0.694 8.380 150 HB2 LEU 18 1HB LEU 18 -5.673 -0.483 7.915 151 HB3 LEU 18 2HB LEU 18 -7.142 -1.273 7.377 152 HG LEU 18 HG LEU 18 -7.628 0.651 5.861 153 HD11 LEU 18 1HD1 LEU 18 -5.952 2.354 5.359 154 HD12 LEU 18 2HD1 LEU 18 -4.924 1.751 6.664 155 HD13 LEU 18 3HD1 LEU 18 -6.491 2.471 7.036 156 HD21 LEU 18 3HD2 LEU 18 -6.434 -1.316 5.039 157 HD22 LEU 18 1HD2 LEU 18 -4.889 -0.564 5.448 158 HD23 LEU 18 2HD2 LEU 18 -5.921 0.144 4.201 159 H ILE 19 H ILE 19 -5.878 -0.486 10.601 160 HA ILE 19 HA ILE 19 -7.722 -2.520 11.705 161 HB ILE 19 HB ILE 19 -4.720 -2.309 12.195 162 HG12 ILE 19 1HG1 ILE 19 -6.104 -4.269 10.297 163 HG13 ILE 19 2HG1 ILE 19 -5.286 -2.802 9.768 164 HG21 ILE 19 1HG2 ILE 19 -6.641 -4.599 12.799 165 HG22 ILE 19 2HG2 ILE 19 -5.912 -3.514 13.984 166 HG23 ILE 19 3HG2 ILE 19 -4.892 -4.618 13.066 167 HD11 ILE 19 3HD1 ILE 19 -3.984 -5.140 11.177 168 HD12 ILE 19 1HD1 ILE 19 -3.169 -3.653 10.677 169 HD13 ILE 19 2HD1 ILE 19 -3.858 -4.734 9.465 170 H GLY 20 H GLY 20 -5.041 -1.067 13.497 171 HA2 GLY 20 1HA GLY 20 -5.403 0.740 15.110 172 HA3 GLY 20 2HA GLY 20 -6.978 0.027 15.442 173 HA PRO 21 HA PRO 21 -5.063 -2.192 18.720 174 HB2 PRO 21 1HB PRO 21 -6.885 -4.231 19.140 175 HB3 PRO 21 2HB PRO 21 -7.220 -2.522 19.467 176 HG2 PRO 21 1HG PRO 21 -8.305 -4.223 17.347 177 HG3 PRO 21 2HG PRO 21 -8.868 -2.641 17.916 178 HD2 PRO 21 1HD PRO 21 -7.239 -3.251 15.560 179 HD3 PRO 21 2HD PRO 21 -7.973 -1.703 16.020 180 H SER 22 H SER 22 -5.985 -4.688 16.271 181 HA SER 22 HA SER 22 -3.936 -6.543 17.198 182 HB2 SER 22 1HB SER 22 -6.229 -7.311 16.518 183 HB3 SER 22 2HB SER 22 -5.900 -6.779 14.871 184 HG SER 22 HG SER 22 -4.108 -8.283 14.901 185 H ALA 23 H ALA 23 -2.422 -4.582 16.595 186 HA ALA 23 HA ALA 23 -1.023 -5.198 14.137 187 HB1 ALA 23 3HB ALA 23 -2.744 -3.681 13.263 188 HB2 ALA 23 1HB ALA 23 -1.161 -2.905 13.211 189 HB3 ALA 23 2HB ALA 23 -2.325 -2.464 14.472 190 H LYS 24 H LYS 24 0.584 -5.734 15.664 191 HA LYS 24 HA LYS 24 1.835 -3.748 17.321 192 HB2 LYS 24 1HB LYS 24 2.719 -6.499 16.387 193 HB3 LYS 24 2HB LYS 24 3.794 -5.463 17.300 194 HG2 LYS 24 1HG LYS 24 2.810 -7.151 18.701 195 HG3 LYS 24 2HG LYS 24 2.318 -5.550 19.225 196 HD2 LYS 24 1HD LYS 24 0.438 -7.042 17.408 197 HD3 LYS 24 2HD LYS 24 0.612 -7.653 19.052 198 HE2 LYS 24 1HE LYS 24 -0.269 -4.857 18.257 199 HE3 LYS 24 2HE LYS 24 -1.283 -6.132 18.935 200 HZ1 LYS 24 3HZ LYS 24 0.021 -6.043 20.969 201 HZ2 LYS 24 1HZ LYS 24 -0.632 -4.524 20.621 202 HZ3 LYS 24 2HZ LYS 24 1.001 -4.828 20.322 203 H GLU 25 H GLU 25 4.001 -2.888 16.947 204 HA GLU 25 HA GLU 25 4.296 -1.599 14.512 205 HB2 GLU 25 1HB GLU 25 6.525 -0.897 15.291 206 HB3 GLU 25 2HB GLU 25 5.270 -0.691 16.503 207 HG2 GLU 25 1HG GLU 25 6.043 -2.722 17.657 208 HG3 GLU 25 2HG GLU 25 7.304 -2.936 16.441 209 H ASP 26 H ASP 26 5.334 -4.724 15.365 210 HA ASP 26 HA ASP 26 6.925 -5.006 12.885 211 HB2 ASP 26 1HB ASP 26 8.195 -6.776 14.113 212 HB3 ASP 26 2HB ASP 26 8.351 -5.186 14.856 213 H GLU 27 H GLU 27 3.916 -5.699 13.799 214 HA GLU 27 HA GLU 27 3.764 -8.505 13.168 215 HB2 GLU 27 1HB GLU 27 1.735 -6.313 13.638 216 HB3 GLU 27 2HB GLU 27 1.185 -7.709 12.718 217 HG2 GLU 27 1HG GLU 27 2.409 -7.868 15.487 218 HG3 GLU 27 2HG GLU 27 0.677 -7.797 15.162 219 H LEU 28 H LEU 28 3.038 -5.505 11.485 220 HA LEU 28 HA LEU 28 2.767 -6.778 8.905 221 HB2 LEU 28 1HB LEU 28 2.684 -3.897 9.855 222 HB3 LEU 28 2HB LEU 28 2.759 -4.274 8.148 223 HG LEU 28 HG LEU 28 0.447 -3.811 8.864 224 HD11 LEU 28 1HD1 LEU 28 0.780 -5.308 6.983 225 HD12 LEU 28 2HD1 LEU 28 -0.659 -5.744 7.895 226 HD13 LEU 28 3HD1 LEU 28 0.813 -6.705 8.064 227 HD21 LEU 28 3HD2 LEU 28 0.682 -6.240 10.666 228 HD22 LEU 28 1HD2 LEU 28 -0.799 -5.327 10.340 229 HD23 LEU 28 2HD2 LEU 28 0.542 -4.559 11.188 230 H ASP 29 H ASP 29 4.385 -7.340 7.755 231 HA ASP 29 HA ASP 29 7.072 -6.094 7.952 232 HB2 ASP 29 1HB ASP 29 6.870 -8.528 8.725 233 HB3 ASP 29 2HB ASP 29 6.398 -8.956 7.095 234 H ASP 30 H ASP 30 8.295 -6.435 5.843 235 HA ASP 30 HA ASP 30 6.952 -5.074 3.730 236 HB2 ASP 30 1HB ASP 30 9.696 -6.403 3.776 237 HB3 ASP 30 2HB ASP 30 9.128 -5.266 2.549 238 H GLN 31 H GLN 31 7.304 -8.378 4.497 239 HA GLN 31 HA GLN 31 6.591 -9.276 1.757 240 HB2 GLN 31 1HB GLN 31 7.891 -10.893 3.998 241 HB3 GLN 31 2HB GLN 31 7.628 -11.420 2.336 242 HG2 GLN 31 1HG GLN 31 9.266 -9.849 1.510 243 HG3 GLN 31 2HG GLN 31 9.434 -9.101 3.095 244 HE21 GLN 31 1HE2 GLN 31 10.493 -10.284 4.754 245 HE22 GLN 31 2HE2 GLN 31 11.623 -11.533 4.361 246 H THR 32 H THR 32 5.155 -8.548 4.625 247 HA THR 32 HA THR 32 3.622 -10.804 5.290 248 HB THR 32 HB THR 32 3.245 -7.863 5.802 249 HG1 THR 32 HG1 THR 32 4.476 -9.874 7.035 250 HG21 THR 32 3HG2 THR 32 1.353 -8.356 7.312 251 HG22 THR 32 1HG2 THR 32 1.329 -10.027 6.730 252 HG23 THR 32 2HG2 THR 32 0.949 -8.698 5.633 253 HA PRO 33 HA PRO 33 0.878 -10.702 1.689 254 HB2 PRO 33 1HB PRO 33 -0.610 -12.896 2.332 255 HB3 PRO 33 2HB PRO 33 1.050 -13.034 1.710 256 HG2 PRO 33 1HG PRO 33 0.059 -13.239 4.541 257 HG3 PRO 33 2HG PRO 33 1.287 -14.220 3.705 258 HD2 PRO 33 1HD PRO 33 1.918 -12.141 5.400 259 HD3 PRO 33 2HD PRO 33 2.964 -12.661 4.055 260 H LEU 34 H LEU 34 -0.195 -8.810 2.119 261 HA LEU 34 HA LEU 34 -1.718 -8.166 4.390 262 HB2 LEU 34 1HB LEU 34 -1.816 -6.912 1.623 263 HB3 LEU 34 2HB LEU 34 -2.313 -6.141 3.123 264 HG LEU 34 HG LEU 34 0.549 -6.958 2.445 265 HD11 LEU 34 1HD1 LEU 34 -0.179 -5.135 1.014 266 HD12 LEU 34 2HD1 LEU 34 1.030 -4.588 2.172 267 HD13 LEU 34 3HD1 LEU 34 -0.674 -4.189 2.425 268 HD21 LEU 34 3HD2 LEU 34 0.165 -7.004 4.848 269 HD22 LEU 34 1HD2 LEU 34 -0.496 -5.367 4.806 270 HD23 LEU 34 2HD2 LEU 34 1.205 -5.650 4.416 271 H LEU 35 H LEU 35 -2.705 -9.329 1.166 272 HA LEU 35 HA LEU 35 -5.540 -9.166 1.656 273 HB2 LEU 35 1HB LEU 35 -4.023 -10.740 -0.451 274 HB3 LEU 35 2HB LEU 35 -5.763 -10.471 -0.443 275 HG LEU 35 HG LEU 35 -3.609 -8.359 -0.804 276 HD11 LEU 35 1HD1 LEU 35 -3.930 -9.756 -2.762 277 HD12 LEU 35 2HD1 LEU 35 -4.502 -8.117 -3.049 278 HD13 LEU 35 3HD1 LEU 35 -5.666 -9.413 -2.753 279 HD21 LEU 35 3HD2 LEU 35 -5.422 -6.752 -1.194 280 HD22 LEU 35 1HD2 LEU 35 -5.461 -7.385 0.452 281 HD23 LEU 35 2HD2 LEU 35 -6.616 -7.973 -0.747 282 H GLU 36 H GLU 36 -3.101 -11.655 2.130 283 HA GLU 36 HA GLU 36 -4.837 -13.878 2.562 284 HB2 GLU 36 1HB GLU 36 -2.380 -14.031 2.060 285 HB3 GLU 36 2HB GLU 36 -2.034 -13.380 3.652 286 HG2 GLU 36 1HG GLU 36 -1.681 -15.740 3.724 287 HG3 GLU 36 2HG GLU 36 -3.138 -15.390 4.656 288 H TRP 37 H TRP 37 -3.408 -11.389 4.636 289 HA TRP 37 HA TRP 37 -4.537 -12.248 7.113 290 HB2 TRP 37 1HB TRP 37 -3.452 -9.563 6.172 291 HB3 TRP 37 2HB TRP 37 -4.091 -9.791 7.796 292 HD1 TRP 37 HD1 TRP 37 -1.771 -12.312 5.957 293 HE1 TRP 37 HE1 TRP 37 0.375 -12.556 7.327 294 HE3 TRP 37 HE3 TRP 37 -2.667 -8.751 9.531 295 HZ2 TRP 37 HZ2 TRP 37 1.549 -11.422 9.631 296 HZ3 TRP 37 HZ3 TRP 37 -0.968 -8.387 11.286 297 HH2 TRP 37 HH2 TRP 37 1.100 -9.700 11.332 298 H GLY 38 H GLY 38 -5.881 -10.532 4.394 299 HA2 GLY 38 1HA GLY 38 -8.040 -9.921 3.907 300 HA3 GLY 38 2HA GLY 38 -8.552 -10.690 5.402 301 H ILE 39 H ILE 39 -6.104 -8.270 5.521 302 HA ILE 39 HA ILE 39 -7.763 -6.492 7.121 303 HB ILE 39 HB ILE 39 -5.636 -5.213 7.462 304 HG12 ILE 39 1HG1 ILE 39 -4.456 -7.323 5.585 305 HG13 ILE 39 2HG1 ILE 39 -4.502 -5.587 5.329 306 HG21 ILE 39 1HG2 ILE 39 -4.488 -6.934 8.817 307 HG22 ILE 39 2HG2 ILE 39 -5.397 -8.203 7.997 308 HG23 ILE 39 3HG2 ILE 39 -6.240 -7.027 9.010 309 HD11 ILE 39 3HD1 ILE 39 -2.283 -6.307 5.902 310 HD12 ILE 39 1HD1 ILE 39 -2.865 -7.043 7.396 311 HD13 ILE 39 2HD1 ILE 39 -2.928 -5.291 7.190 312 H LEU 40 H LEU 40 -6.889 -6.800 3.823 313 HA LEU 40 HA LEU 40 -7.629 -3.995 3.213 314 HB2 LEU 40 1HB LEU 40 -6.145 -5.928 1.385 315 HB3 LEU 40 2HB LEU 40 -6.500 -4.240 1.057 316 HG LEU 40 HG LEU 40 -4.478 -5.365 3.030 317 HD11 LEU 40 1HD1 LEU 40 -3.723 -5.278 0.722 318 HD12 LEU 40 2HD1 LEU 40 -2.863 -4.087 1.693 319 HD13 LEU 40 3HD1 LEU 40 -4.154 -3.566 0.605 320 HD21 LEU 40 3HD2 LEU 40 -5.574 -3.508 4.163 321 HD22 LEU 40 1HD2 LEU 40 -5.332 -2.459 2.762 322 HD23 LEU 40 2HD2 LEU 40 -3.944 -3.045 3.688 323 H ASN 41 H ASN 41 -9.741 -3.889 2.702 324 HA ASN 41 HA ASN 41 -10.747 -5.649 0.543 325 HB2 ASN 41 1HB ASN 41 -13.033 -5.403 1.429 326 HB3 ASN 41 2HB ASN 41 -11.972 -6.144 2.617 327 HD21 ASN 41 1HD2 ASN 41 -13.171 -5.623 4.406 328 HD22 ASN 41 2HD2 ASN 41 -13.423 -4.002 4.956 329 H SER 42 H SER 42 -12.789 -4.374 -0.516 330 HA SER 42 HA SER 42 -11.469 -2.296 -1.937 331 HB2 SER 42 2HB SER 42 -13.175 -3.973 -2.858 332 HB3 SER 42 1HB SER 42 -14.424 -2.910 -2.188 333 H MET 43 H MET 43 -13.482 -2.214 0.862 334 HA MET 43 HA MET 43 -14.475 0.471 0.609 335 HB2 MET 43 1HB MET 43 -14.151 -1.206 3.148 336 HB3 MET 43 2HB MET 43 -15.087 0.280 3.003 337 HG2 MET 43 1HG MET 43 -15.677 -2.359 1.640 338 HG3 MET 43 2HG MET 43 -16.581 -1.632 2.972 339 HE1 MET 43 3HE MET 43 -18.158 1.536 1.119 340 HE2 MET 43 1HE MET 43 -16.599 1.528 1.946 341 HE3 MET 43 2HE MET 43 -17.988 0.715 2.670 342 H ASN 44 H ASN 44 -11.814 -1.036 2.486 343 HA ASN 44 HA ASN 44 -10.818 1.570 3.308 344 HB2 ASN 44 1HB ASN 44 -9.214 0.409 4.716 345 HB3 ASN 44 2HB ASN 44 -10.821 -0.262 4.955 346 HD21 ASN 44 1HD2 ASN 44 -7.749 -0.835 3.265 347 HD22 ASN 44 2HD2 ASN 44 -7.873 -2.551 3.288 348 H ILE 45 H ILE 45 -10.267 -0.382 0.571 349 HA ILE 45 HA ILE 45 -7.486 -0.026 0.198 350 HB ILE 45 HB ILE 45 -9.017 -1.597 -1.162 351 HG12 ILE 45 1HG1 ILE 45 -7.565 -1.456 -3.213 352 HG13 ILE 45 2HG1 ILE 45 -6.968 0.105 -2.660 353 HG21 ILE 45 1HG2 ILE 45 -10.699 0.060 -1.901 354 HG22 ILE 45 2HG2 ILE 45 -9.969 -0.769 -3.275 355 HG23 ILE 45 3HG2 ILE 45 -9.476 0.879 -2.876 356 HD11 ILE 45 3HD1 ILE 45 -5.404 -1.705 -2.219 357 HD12 ILE 45 1HD1 ILE 45 -6.603 -2.526 -1.225 358 HD13 ILE 45 2HD1 ILE 45 -5.955 -0.961 -0.719 359 H VAL 46 H VAL 46 -10.225 2.102 -0.439 360 HA VAL 46 HA VAL 46 -8.836 4.050 -1.999 361 HB VAL 46 HB VAL 46 -10.759 5.527 -1.655 362 HG11 VAL 46 1HG1 VAL 46 -11.649 2.655 -2.138 363 HG12 VAL 46 2HG1 VAL 46 -10.983 3.757 -3.344 364 HG13 VAL 46 3HG1 VAL 46 -12.546 4.106 -2.606 365 HG21 VAL 46 3HG2 VAL 46 -11.787 3.523 0.395 366 HG22 VAL 46 1HG2 VAL 46 -12.684 4.914 -0.213 367 HG23 VAL 46 2HG2 VAL 46 -11.217 5.157 0.735 368 H LYS 47 H LYS 47 -9.278 3.526 1.453 369 HA LYS 47 HA LYS 47 -8.358 5.983 2.487 370 HB2 LYS 47 1HB LYS 47 -7.936 3.218 3.721 371 HB3 LYS 47 2HB LYS 47 -7.942 4.757 4.577 372 HG2 LYS 47 1HG LYS 47 -10.356 3.570 3.160 373 HG3 LYS 47 2HG LYS 47 -10.021 3.381 4.882 374 HD2 LYS 47 1HD LYS 47 -10.437 6.058 3.488 375 HD3 LYS 47 2HD LYS 47 -11.697 5.178 4.355 376 HE2 LYS 47 1HE LYS 47 -10.302 5.329 6.437 377 HE3 LYS 47 2HE LYS 47 -9.136 6.306 5.550 378 HZ1 LYS 47 3HZ LYS 47 -10.621 7.660 6.851 379 HZ2 LYS 47 1HZ LYS 47 -11.967 7.020 6.060 380 HZ3 LYS 47 2HZ LYS 47 -10.854 7.963 5.212 381 H LEU 48 H LEU 48 -6.659 3.025 1.456 382 HA LEU 48 HA LEU 48 -4.022 3.969 1.991 383 HB2 LEU 48 1HB LEU 48 -5.063 1.749 0.194 384 HB3 LEU 48 2HB LEU 48 -3.348 2.099 0.359 385 HG LEU 48 HG LEU 48 -5.232 1.115 2.538 386 HD11 LEU 48 1HD1 LEU 48 -2.837 -0.222 1.238 387 HD12 LEU 48 2HD1 LEU 48 -4.538 -0.640 0.995 388 HD13 LEU 48 3HD1 LEU 48 -3.793 -0.870 2.576 389 HD21 LEU 48 3HD2 LEU 48 -3.657 2.732 3.513 390 HD22 LEU 48 1HD2 LEU 48 -2.293 1.845 2.822 391 HD23 LEU 48 2HD2 LEU 48 -3.310 1.095 4.059 392 H MET 49 H MET 49 -6.052 3.964 -0.997 393 HA MET 49 HA MET 49 -3.964 4.851 -2.689 394 HB2 MET 49 1HB MET 49 -6.975 4.966 -3.076 395 HB3 MET 49 2HB MET 49 -5.820 5.433 -4.320 396 HG2 MET 49 1HG MET 49 -4.827 3.090 -4.093 397 HG3 MET 49 2HG MET 49 -6.260 2.681 -3.148 398 HE1 MET 49 3HE MET 49 -9.106 2.892 -5.800 399 HE2 MET 49 1HE MET 49 -8.697 4.099 -4.577 400 HE3 MET 49 2HE MET 49 -8.663 2.378 -4.173 401 H VAL 50 H VAL 50 -6.161 6.684 -0.636 402 HA VAL 50 HA VAL 50 -5.403 9.275 -1.720 403 HB VAL 50 HB VAL 50 -6.721 10.297 0.040 404 HG11 VAL 50 1HG1 VAL 50 -8.184 7.842 -1.005 405 HG12 VAL 50 2HG1 VAL 50 -7.999 9.378 -1.852 406 HG13 VAL 50 3HG1 VAL 50 -8.946 9.302 -0.367 407 HG21 VAL 50 3HG2 VAL 50 -6.047 8.917 1.965 408 HG22 VAL 50 1HG2 VAL 50 -6.965 7.550 1.332 409 HG23 VAL 50 2HG2 VAL 50 -7.806 9.008 1.869 410 H TYR 51 H TYR 51 -4.272 7.107 0.766 411 HA TYR 51 HA TYR 51 -2.600 8.909 2.212 412 HB2 TYR 51 1HB TYR 51 -3.374 6.815 3.207 413 HB3 TYR 51 2HB TYR 51 -2.558 5.878 1.965 414 HD1 TYR 51 HD1 TYR 51 -1.975 8.163 4.849 415 HD2 TYR 51 HD2 TYR 51 -0.237 5.257 2.234 416 HE1 TYR 51 HE1 TYR 51 0.027 8.085 6.268 417 HE2 TYR 51 HE2 TYR 51 1.755 5.170 3.645 418 HH TYR 51 HH TYR 51 2.891 6.916 5.317 419 H ILE 52 H ILE 52 -1.887 6.486 -0.366 420 HA ILE 52 HA ILE 52 0.863 7.163 -0.691 421 HB ILE 52 HB ILE 52 -1.062 5.759 -2.620 422 HG12 ILE 52 1HG1 ILE 52 0.384 3.719 -2.101 423 HG13 ILE 52 2HG1 ILE 52 1.196 4.665 -0.867 424 HG21 ILE 52 1HG2 ILE 52 1.947 6.093 -2.984 425 HG22 ILE 52 2HG2 ILE 52 0.690 6.846 -3.967 426 HG23 ILE 52 3HG2 ILE 52 0.890 5.096 -3.994 427 HD11 ILE 52 3HD1 ILE 52 -1.705 3.876 -0.877 428 HD12 ILE 52 1HD1 ILE 52 -0.889 4.794 0.388 429 HD13 ILE 52 2HD1 ILE 52 -0.413 3.127 0.058 430 H ARG 53 H ARG 53 -2.134 8.463 -2.043 431 HA ARG 53 HA ARG 53 -1.080 10.132 -4.069 432 HB2 ARG 53 1HB ARG 53 -3.502 9.509 -3.828 433 HB3 ARG 53 2HB ARG 53 -3.616 10.571 -2.427 434 HG2 ARG 53 1HG ARG 53 -3.035 12.506 -3.882 435 HG3 ARG 53 2HG ARG 53 -2.980 11.419 -5.273 436 HD2 ARG 53 1HD ARG 53 -5.369 10.862 -4.907 437 HD3 ARG 53 2HD ARG 53 -5.410 11.998 -3.549 438 HE ARG 53 HE ARG 53 -4.469 13.254 -5.934 439 HH11 ARG 53 1HH1 ARG 53 -7.453 12.253 -4.373 440 HH12 ARG 53 2HH1 ARG 53 -8.413 13.417 -5.225 441 HH21 ARG 53 1HH2 ARG 53 -5.751 14.768 -7.030 442 HH22 ARG 53 2HH2 ARG 53 -7.460 14.836 -6.722 443 H ASP 54 H ASP 54 -1.403 10.585 -0.591 444 HA ASP 54 HA ASP 54 -0.606 13.389 -0.663 445 HB2 ASP 54 1HB ASP 54 -2.207 12.693 1.042 446 HB3 ASP 54 2HB ASP 54 -1.108 11.456 1.640 447 H GLU 55 H GLU 55 0.760 10.417 0.741 448 HA GLU 55 HA GLU 55 3.202 11.508 1.626 449 HB2 GLU 55 1HB GLU 55 2.320 8.634 1.139 450 HB3 GLU 55 2HB GLU 55 3.834 9.055 1.935 451 HG2 GLU 55 1HG GLU 55 1.223 10.116 3.020 452 HG3 GLU 55 2HG GLU 55 1.700 8.453 3.350 453 H MET 56 H MET 56 2.598 9.214 -1.075 454 HA MET 56 HA MET 56 5.292 9.578 -2.125 455 HB2 MET 56 1HB MET 56 3.020 7.689 -2.743 456 HB3 MET 56 2HB MET 56 4.289 7.901 -3.936 457 HG2 MET 56 1HG MET 56 5.657 6.520 -2.827 458 HG3 MET 56 2HG MET 56 5.450 7.401 -1.321 459 HE1 MET 56 3HE MET 56 4.225 6.428 0.718 460 HE2 MET 56 1HE MET 56 2.734 5.498 0.552 461 HE3 MET 56 2HE MET 56 2.843 7.127 -0.127 462 H GLY 57 H GLY 57 2.128 10.856 -2.725 463 HA2 GLY 57 1HA GLY 57 1.330 12.377 -4.257 464 HA3 GLY 57 2HA GLY 57 2.947 12.525 -4.926 465 H VAL 58 H VAL 58 1.228 9.475 -4.615 466 HA VAL 58 HA VAL 58 0.975 9.252 -7.569 467 HB VAL 58 HB VAL 58 1.912 7.114 -5.595 468 HG11 VAL 58 1HG1 VAL 58 0.489 6.068 -7.313 469 HG12 VAL 58 2HG1 VAL 58 2.173 5.590 -7.519 470 HG13 VAL 58 3HG1 VAL 58 1.466 6.801 -8.592 471 HG21 VAL 58 3HG2 VAL 58 4.039 7.135 -6.851 472 HG22 VAL 58 1HG2 VAL 58 3.692 8.715 -6.140 473 HG23 VAL 58 2HG2 VAL 58 3.436 8.445 -7.867 474 H SER 59 H SER 59 -1.019 8.656 -8.227 475 HA SER 59 HA SER 59 -2.983 7.630 -6.263 476 HB2 SER 59 1HB SER 59 -3.650 9.691 -7.499 477 HB3 SER 59 2HB SER 59 -3.458 8.839 -9.031 478 HG SER 59 HG SER 59 -5.143 7.439 -8.376 479 H ILE 60 H ILE 60 -3.519 5.530 -6.372 480 HA ILE 60 HA ILE 60 -2.655 3.831 -8.576 481 HB ILE 60 HB ILE 60 -4.170 3.138 -6.014 482 HG12 ILE 60 1HG1 ILE 60 -1.969 1.844 -5.493 483 HG13 ILE 60 2HG1 ILE 60 -1.239 2.782 -6.788 484 HG21 ILE 60 1HG2 ILE 60 -3.782 0.748 -6.592 485 HG22 ILE 60 2HG2 ILE 60 -3.180 1.246 -8.173 486 HG23 ILE 60 3HG2 ILE 60 -4.860 1.567 -7.722 487 HD11 ILE 60 3HD1 ILE 60 -0.756 3.690 -4.581 488 HD12 ILE 60 1HD1 ILE 60 -2.480 3.909 -4.280 489 HD13 ILE 60 2HD1 ILE 60 -1.679 4.837 -5.551 490 HA PRO 61 HA PRO 61 -6.798 4.220 -10.505 491 HB2 PRO 61 1HB PRO 61 -6.397 2.487 -12.592 492 HB3 PRO 61 2HB PRO 61 -5.713 4.128 -12.570 493 HG2 PRO 61 1HG PRO 61 -4.371 1.531 -11.861 494 HG3 PRO 61 2HG PRO 61 -3.771 2.863 -12.876 495 HD2 PRO 61 1HD PRO 61 -3.015 2.581 -10.285 496 HD3 PRO 61 2HD PRO 61 -3.197 4.184 -11.041 497 H SER 62 H SER 62 -8.663 2.944 -10.583 498 HA SER 62 HA SER 62 -8.841 0.896 -8.618 499 HB2 SER 62 1HB SER 62 -11.316 0.855 -9.392 500 HB3 SER 62 2HB SER 62 -10.699 2.361 -8.716 501 HG SER 62 HG SER 62 -10.825 3.298 -10.618 502 H THR 63 H THR 63 -8.305 0.803 -12.016 503 HA THR 63 HA THR 63 -9.113 -1.904 -12.509 504 HB THR 63 HB THR 63 -8.891 -0.272 -14.355 505 HG1 THR 63 HG1 THR 63 -8.612 -2.538 -14.782 506 HG21 THR 63 3HG2 THR 63 -6.690 0.420 -15.217 507 HG22 THR 63 1HG2 THR 63 -5.886 -0.403 -13.879 508 HG23 THR 63 2HG2 THR 63 -6.915 0.998 -13.564 509 H HIS 64 H HIS 64 -6.245 -0.414 -11.157 510 HA HIS 64 HA HIS 64 -4.632 -2.857 -11.273 511 HB2 HIS 64 1HB HIS 64 -4.087 0.021 -10.622 512 HB3 HIS 64 2HB HIS 64 -3.107 -1.156 -9.757 513 HD1 HIS 64 HD1 HIS 64 -4.132 -1.677 -13.364 514 HD2 HIS 64 HD2 HIS 64 -0.767 -0.639 -11.146 515 HE1 HIS 64 HE1 HIS 64 -2.207 -1.771 -14.974 516 HE2 HIS 64 HE2 HIS 64 -0.209 -1.043 -13.629 517 H ILE 65 H ILE 65 -7.070 -1.732 -9.258 518 HA ILE 65 HA ILE 65 -6.078 -2.860 -6.784 519 HB ILE 65 HB ILE 65 -9.024 -2.382 -7.476 520 HG12 ILE 65 1HG1 ILE 65 -7.780 -0.271 -7.801 521 HG13 ILE 65 2HG1 ILE 65 -8.796 -0.159 -6.370 522 HG21 ILE 65 1HG2 ILE 65 -9.326 -2.263 -5.022 523 HG22 ILE 65 2HG2 ILE 65 -7.601 -2.547 -4.778 524 HG23 ILE 65 3HG2 ILE 65 -8.609 -3.806 -5.486 525 HD11 ILE 65 3HD1 ILE 65 -6.636 0.866 -6.043 526 HD12 ILE 65 1HD1 ILE 65 -5.825 -0.651 -6.405 527 HD13 ILE 65 2HD1 ILE 65 -6.835 -0.509 -4.964 528 H THR 66 H THR 66 -5.311 -4.836 -7.463 529 HA THR 66 HA THR 66 -7.210 -6.992 -7.271 530 HB THR 66 HB THR 66 -7.267 -6.781 -9.695 531 HG1 THR 66 HG1 THR 66 -7.320 -8.894 -9.214 532 HG21 THR 66 3HG2 THR 66 -5.271 -6.991 -11.117 533 HG22 THR 66 1HG2 THR 66 -4.242 -7.029 -9.685 534 HG23 THR 66 2HG2 THR 66 -5.154 -5.567 -10.077 535 H GLY 67 H GLY 67 -5.864 -9.153 -7.305 536 HA2 GLY 67 1HA GLY 67 -4.218 -8.751 -4.973 537 HA3 GLY 67 2HA GLY 67 -4.848 -10.264 -5.563 538 H LYS 68 H LYS 68 -3.114 -8.494 -7.936 539 HA LYS 68 HA LYS 68 -0.731 -10.174 -7.669 540 HB2 LYS 68 1HB LYS 68 -0.654 -7.872 -9.613 541 HB3 LYS 68 2HB LYS 68 -0.171 -9.546 -9.833 542 HG2 LYS 68 1HG LYS 68 -2.978 -8.418 -10.020 543 HG3 LYS 68 2HG LYS 68 -1.959 -8.969 -11.353 544 HD2 LYS 68 1HD LYS 68 -2.082 -11.282 -10.502 545 HD3 LYS 68 2HD LYS 68 -3.066 -10.738 -9.137 546 HE2 LYS 68 1HE LYS 68 -4.566 -11.658 -10.778 547 HE3 LYS 68 2HE LYS 68 -4.768 -9.899 -10.811 548 HZ1 LYS 68 3HZ LYS 68 -3.473 -9.760 -12.775 549 HZ2 LYS 68 1HZ LYS 68 -4.636 -10.957 -13.027 550 HZ3 LYS 68 2HZ LYS 68 -3.037 -11.391 -12.708 551 H TYR 69 H TYR 69 -1.757 -6.854 -7.348 552 HA TYR 69 HA TYR 69 0.909 -5.799 -6.828 553 HB2 TYR 69 1HB TYR 69 -1.753 -4.305 -6.957 554 HB3 TYR 69 2HB TYR 69 -0.136 -3.618 -7.097 555 HD1 TYR 69 HD1 TYR 69 1.178 -3.937 -9.195 556 HD2 TYR 69 HD2 TYR 69 -2.815 -5.399 -8.880 557 HE1 TYR 69 HE1 TYR 69 1.079 -4.170 -11.636 558 HE2 TYR 69 HE2 TYR 69 -2.921 -5.659 -11.319 559 HH TYR 69 HH TYR 69 -0.191 -5.474 -13.325 560 H PHE 70 H PHE 70 -2.308 -5.789 -5.215 561 HA PHE 70 HA PHE 70 -1.160 -4.705 -2.766 562 HB2 PHE 70 1HB PHE 70 -4.012 -5.338 -3.603 563 HB3 PHE 70 2HB PHE 70 -3.594 -4.726 -1.999 564 HD1 PHE 70 HD2 PHE 70 -2.598 -2.467 -1.725 565 HD2 PHE 70 HD1 PHE 70 -3.958 -3.852 -5.547 566 HE1 PHE 70 HE2 PHE 70 -2.509 -0.171 -2.592 567 HE2 PHE 70 HE1 PHE 70 -3.852 -1.551 -6.404 568 HZ PHE 70 HZ PHE 70 -3.130 0.286 -4.925 569 H LYS 71 H LYS 71 -0.880 -7.601 -3.863 570 HA LYS 71 HA LYS 71 -1.851 -9.519 -2.104 571 HB2 LYS 71 1HB LYS 71 -0.691 -9.953 -4.269 572 HB3 LYS 71 2HB LYS 71 0.832 -9.424 -3.559 573 HG2 LYS 71 1HG LYS 71 0.637 -11.332 -1.914 574 HG3 LYS 71 2HG LYS 71 -0.785 -11.876 -2.806 575 HD2 LYS 71 1HD LYS 71 2.031 -11.624 -3.938 576 HD3 LYS 71 2HD LYS 71 1.243 -13.129 -3.460 577 HE2 LYS 71 1HE LYS 71 -0.436 -12.851 -5.222 578 HE3 LYS 71 2HE LYS 71 0.244 -11.284 -5.662 579 HZ1 LYS 71 3HZ LYS 71 0.978 -13.002 -7.156 580 HZ2 LYS 71 1HZ LYS 71 1.636 -13.893 -5.879 581 HZ3 LYS 71 2HZ LYS 71 2.289 -12.391 -6.288 582 H ASP 72 H ASP 72 1.211 -7.781 -2.066 583 HA ASP 72 HA ASP 72 1.383 -7.697 0.824 584 HB2 ASP 72 1HB ASP 72 3.657 -8.690 0.908 585 HB3 ASP 72 2HB ASP 72 2.482 -9.867 0.337 586 H LEU 73 H LEU 73 3.574 -6.468 1.340 587 HA LEU 73 HA LEU 73 3.298 -3.886 0.202 588 HB2 LEU 73 1HB LEU 73 5.355 -5.136 2.027 589 HB3 LEU 73 2HB LEU 73 5.490 -3.460 1.528 590 HG LEU 73 HG LEU 73 3.207 -4.645 3.145 591 HD11 LEU 73 1HD1 LEU 73 4.133 -3.379 4.981 592 HD12 LEU 73 2HD1 LEU 73 5.411 -2.726 3.959 593 HD13 LEU 73 3HD1 LEU 73 5.373 -4.450 4.339 594 HD21 LEU 73 3HD2 LEU 73 3.699 -1.769 2.268 595 HD22 LEU 73 1HD2 LEU 73 2.421 -2.315 3.361 596 HD23 LEU 73 2HD2 LEU 73 2.419 -2.830 1.671 597 H ASN 74 H ASN 74 5.740 -6.442 -0.375 598 HA ASN 74 HA ASN 74 7.535 -4.811 -1.858 599 HB2 ASN 74 1HB ASN 74 7.117 -7.815 -1.714 600 HB3 ASN 74 2HB ASN 74 8.290 -7.137 -2.836 601 HD21 ASN 74 1HD2 ASN 74 8.568 -8.838 -0.353 602 HD22 ASN 74 2HD2 ASN 74 9.730 -7.999 0.616 603 H ALA 75 H ALA 75 4.764 -6.776 -2.739 604 HA ALA 75 HA ALA 75 4.865 -6.442 -5.574 605 HB1 ALA 75 3HB ALA 75 2.604 -7.405 -5.518 606 HB2 ALA 75 1HB ALA 75 2.531 -7.166 -3.767 607 HB3 ALA 75 2HB ALA 75 3.693 -8.304 -4.456 608 H ILE 76 H ILE 76 3.263 -4.645 -2.948 609 HA ILE 76 HA ILE 76 1.833 -2.799 -4.578 610 HB ILE 76 HB ILE 76 2.875 -2.515 -1.720 611 HG12 ILE 76 1HG1 ILE 76 0.089 -3.149 -2.792 612 HG13 ILE 76 2HG1 ILE 76 1.163 -4.261 -1.953 613 HG21 ILE 76 1HG2 ILE 76 2.594 -0.270 -2.672 614 HG22 ILE 76 2HG2 ILE 76 1.373 -0.587 -1.445 615 HG23 ILE 76 3HG2 ILE 76 0.938 -0.659 -3.155 616 HD11 ILE 76 3HD1 ILE 76 -0.169 -1.826 -0.767 617 HD12 ILE 76 1HD1 ILE 76 0.953 -2.893 0.084 618 HD13 ILE 76 2HD1 ILE 76 -0.592 -3.515 -0.490 619 H SER 77 H SER 77 5.038 -2.696 -3.074 620 HA SER 77 HA SER 77 5.701 -0.036 -3.605 621 HB2 SER 77 1HB SER 77 6.915 -1.268 -1.931 622 HB3 SER 77 2HB SER 77 7.424 -2.488 -3.095 623 HG SER 77 HG SER 77 8.149 0.152 -3.617 624 H ARG 78 H ARG 78 6.232 -3.032 -5.446 625 HA ARG 78 HA ARG 78 8.090 -1.975 -7.278 626 HB2 ARG 78 1HB ARG 78 7.987 -4.042 -8.436 627 HB3 ARG 78 2HB ARG 78 7.712 -4.438 -6.742 628 HG2 ARG 78 1HG ARG 78 5.265 -4.564 -7.208 629 HG3 ARG 78 2HG ARG 78 5.602 -4.267 -8.915 630 HD2 ARG 78 1HD ARG 78 6.534 -6.635 -7.268 631 HD3 ARG 78 2HD ARG 78 5.294 -6.652 -8.526 632 HE ARG 78 HE ARG 78 7.596 -5.698 -9.738 633 HH11 ARG 78 1HH1 ARG 78 6.645 -8.692 -8.169 634 HH12 ARG 78 2HH1 ARG 78 7.738 -9.665 -9.098 635 HH21 ARG 78 1HH2 ARG 78 9.059 -6.990 -10.917 636 HH22 ARG 78 2HH2 ARG 78 9.097 -8.707 -10.645 637 H THR 79 H THR 79 4.559 -2.177 -7.304 638 HA THR 79 HA THR 79 4.346 -1.131 -10.001 639 HB THR 79 HB THR 79 2.640 -2.748 -9.043 640 HG1 THR 79 HG1 THR 79 2.216 -1.520 -10.909 641 HG21 THR 79 3HG2 THR 79 1.590 -0.294 -7.580 642 HG22 THR 79 1HG2 THR 79 2.236 -1.761 -6.828 643 HG23 THR 79 2HG2 THR 79 0.741 -1.831 -7.759 644 H VAL 80 H VAL 80 4.335 0.197 -6.703 645 HA VAL 80 HA VAL 80 3.247 2.763 -7.370 646 HB VAL 80 HB VAL 80 4.959 1.894 -4.982 647 HG11 VAL 80 1HG1 VAL 80 4.372 4.043 -3.875 648 HG12 VAL 80 2HG1 VAL 80 3.591 4.602 -5.357 649 HG13 VAL 80 3HG1 VAL 80 5.331 4.316 -5.334 650 HG21 VAL 80 3HG2 VAL 80 2.851 2.031 -3.704 651 HG22 VAL 80 1HG2 VAL 80 2.681 0.923 -5.065 652 HG23 VAL 80 2HG2 VAL 80 1.982 2.539 -5.156 653 H GLU 81 H GLU 81 6.473 1.370 -7.513 654 HA GLU 81 HA GLU 81 7.938 3.778 -8.026 655 HB2 GLU 81 1HB GLU 81 8.558 0.884 -8.770 656 HB3 GLU 81 2HB GLU 81 9.707 2.218 -8.873 657 HG2 GLU 81 1HG GLU 81 9.607 2.520 -6.451 658 HG3 GLU 81 2HG GLU 81 8.409 1.241 -6.316 659 H GLN 82 H GLN 82 6.360 1.357 -10.113 660 HA GLN 82 HA GLN 82 7.127 2.546 -12.606 661 HB2 GLN 82 1HB GLN 82 6.387 0.219 -12.561 662 HB3 GLN 82 2HB GLN 82 4.813 0.682 -11.927 663 HG2 GLN 82 1HG GLN 82 4.739 0.093 -14.331 664 HG3 GLN 82 2HG GLN 82 4.216 1.750 -14.033 665 HE21 GLN 82 1HE2 GLN 82 4.637 2.363 -16.188 666 HE22 GLN 82 2HE2 GLN 82 6.237 2.551 -16.813 667 H LEU 83 H LEU 83 4.162 2.671 -10.696 668 HA LEU 83 HA LEU 83 2.761 4.630 -12.136 669 HB2 LEU 83 1HB LEU 83 2.519 3.409 -9.395 670 HB3 LEU 83 2HB LEU 83 1.615 4.868 -9.726 671 HG LEU 83 HG LEU 83 0.314 3.781 -11.469 672 HD11 LEU 83 1HD1 LEU 83 1.928 1.252 -11.040 673 HD12 LEU 83 2HD1 LEU 83 1.993 2.298 -12.460 674 HD13 LEU 83 3HD1 LEU 83 0.508 1.429 -12.077 675 HD21 LEU 83 3HD2 LEU 83 -0.891 2.102 -10.113 676 HD22 LEU 83 1HD2 LEU 83 -0.494 3.549 -9.186 677 HD23 LEU 83 2HD2 LEU 83 0.451 2.073 -8.964 678 H LYS 84 H LYS 84 5.377 4.918 -9.852 679 HA LYS 84 HA LYS 84 5.115 7.674 -9.150 680 HB2 LYS 84 1HB LYS 84 6.672 5.980 -8.023 681 HB3 LYS 84 2HB LYS 84 7.700 6.070 -9.437 682 HG2 LYS 84 1HG LYS 84 8.765 7.533 -7.971 683 HG3 LYS 84 2HG LYS 84 7.786 8.632 -8.947 684 HD2 LYS 84 1HD LYS 84 7.568 9.262 -6.623 685 HD3 LYS 84 2HD LYS 84 6.032 8.583 -7.164 686 HE2 LYS 84 1HE LYS 84 6.672 7.772 -4.901 687 HE3 LYS 84 2HE LYS 84 6.556 6.451 -6.066 688 HZ1 LYS 84 3HZ LYS 84 8.523 6.241 -4.699 689 HZ2 LYS 84 1HZ LYS 84 9.070 7.767 -5.184 690 HZ3 LYS 84 2HZ LYS 84 8.963 6.511 -6.301 691 H ALA 85 H ALA 85 6.799 5.870 -11.675 692 HA ALA 85 HA ALA 85 7.982 8.045 -13.066 693 HB1 ALA 85 3HB ALA 85 8.316 6.436 -14.913 694 HB2 ALA 85 1HB ALA 85 7.230 5.286 -14.122 695 HB3 ALA 85 2HB ALA 85 8.766 5.716 -13.366 696 H GLU 86 H GLU 86 4.954 6.245 -13.451 697 HA GLU 86 HA GLU 86 3.971 7.474 -15.789 698 HB2 GLU 86 1HB GLU 86 2.409 6.122 -13.536 699 HB3 GLU 86 2HB GLU 86 1.776 6.475 -15.143 700 HG2 GLU 86 1HG GLU 86 4.079 4.597 -14.533 701 HG3 GLU 86 2HG GLU 86 2.429 4.092 -14.857 702 H SER 87 H SER 87 3.407 8.165 -12.328 703 HA SER 87 HA SER 87 1.595 10.313 -12.622 704 HB2 SER 87 1HB SER 87 1.881 9.116 -10.476 705 HB3 SER 87 2HB SER 87 3.534 9.707 -10.336 706 HG SER 87 HG SER 87 2.351 11.064 -9.115 707 H ALA 88 H ALA 88 5.115 10.144 -12.622 708 HA ALA 88 HA ALA 88 5.605 12.977 -12.451 709 HB1 ALA 88 3HB ALA 88 7.225 11.336 -11.575 710 HB2 ALA 88 1HB ALA 88 7.965 12.359 -12.806 711 HB3 ALA 88 2HB ALA 88 7.486 10.705 -13.203 712 H LEU 89 H LEU 89 5.332 10.606 -15.065 713 HA LEU 89 HA LEU 89 6.266 12.393 -17.152 714 HB2 LEU 89 1HB LEU 89 4.956 9.643 -17.314 715 HB3 LEU 89 2HB LEU 89 5.570 10.527 -18.699 716 HG LEU 89 HG LEU 89 7.249 9.488 -16.395 717 HD11 LEU 89 1HD1 LEU 89 8.170 7.890 -17.996 718 HD12 LEU 89 2HD1 LEU 89 7.054 8.468 -19.237 719 HD13 LEU 89 3HD1 LEU 89 6.433 7.670 -17.788 720 HD21 LEU 89 3HD2 LEU 89 9.204 10.133 -17.747 721 HD22 LEU 89 1HD2 LEU 89 8.235 11.526 -17.275 722 HD23 LEU 89 2HD2 LEU 89 8.139 10.903 -18.922 723 H GLU 90 H GLU 90 3.223 11.510 -15.704 724 HA GLU 90 HA GLU 90 1.516 12.240 -17.907 725 HB2 GLU 90 1HB GLU 90 0.977 10.525 -16.121 726 HB3 GLU 90 2HB GLU 90 0.793 11.837 -14.969 727 HG2 GLU 90 1HG GLU 90 -1.379 11.106 -15.715 728 HG3 GLU 90 2HG GLU 90 -1.079 12.735 -16.327 729 H282 PNS 101 2H28 PNS 142 -11.925 -3.629 -6.699 730 H281 PNS 101 3H28 PNS 142 -11.571 -3.506 -4.972 731 H303 PNS 101 2H51 PNS 142 -11.678 -5.581 -3.521 732 H302 PNS 101 3H51 PNS 142 -11.995 -7.150 -4.253 733 H301 PNS 101 1H51 PNS 142 -13.292 -5.949 -4.140 734 H313 PNS 101 2H52 PNS 142 -10.037 -5.311 -6.853 735 H312 PNS 101 3H52 PNS 142 -9.774 -5.196 -5.117 736 H311 PNS 101 1H52 PNS 142 -10.062 -6.775 -5.860 737 H32 PNS 101 H32 PNS 142 -13.686 -6.090 -6.638 738 H33 PNS 101 H33 PNS 142 -12.523 -4.773 -8.120 739 H36 PNS 101 H36 PNS 142 -10.864 -7.466 -8.101 740 H372 PNS 101 2H37 PNS 142 -10.190 -9.556 -8.649 741 H371 PNS 101 3H37 PNS 142 -11.739 -10.167 -8.084 742 H382 PNS 101 2H38 PNS 142 -9.888 -11.194 -6.841 743 H381 PNS 101 3H38 PNS 142 -10.896 -10.219 -5.774 744 H41 PNS 101 H41 PNS 142 -9.878 -8.835 -4.474 745 H422 PNS 101 2H42 PNS 142 -7.092 -8.616 -4.215 746 H421 PNS 101 3H42 PNS 142 -7.709 -7.158 -5.000 747 H431 PNS 101 2H43 PNS 142 -7.578 -6.869 -2.545 748 H432 PNS 101 3H43 PNS 142 -9.261 -6.797 -3.101 749 H44 PNS 101 H44 PNS 142 -7.743 -9.558 -1.737 Start of MODEL 16 1 H1 MET 1 1H MET 1 14.097 4.208 -8.415 2 H2 MET 1 2H MET 1 15.159 4.248 -7.103 3 H3 MET 1 3H MET 1 13.872 5.338 -7.180 4 HA MET 1 HA MET 1 12.288 3.611 -6.978 5 HB2 MET 1 1HB MET 1 14.748 1.855 -7.121 6 HB3 MET 1 2HB MET 1 13.312 1.271 -6.285 7 HG2 MET 1 1HG MET 1 13.459 0.502 -8.647 8 HG3 MET 1 2HG MET 1 11.995 1.434 -8.319 9 HE1 MET 1 3HE MET 1 12.774 0.911 -11.304 10 HE2 MET 1 1HE MET 1 12.615 2.532 -11.989 11 HE3 MET 1 2HE MET 1 11.438 1.953 -10.813 12 H ASP 2 H ASP 2 11.435 3.916 -5.045 13 HA ASP 2 HA ASP 2 13.187 4.513 -2.720 14 HB2 ASP 2 1HB ASP 2 10.523 5.851 -3.373 15 HB3 ASP 2 2HB ASP 2 11.652 6.292 -2.092 16 H GLY 3 H GLY 3 12.645 2.050 -2.795 17 HA2 GLY 3 1HA GLY 3 10.114 1.000 -2.317 18 HA3 GLY 3 2HA GLY 3 11.633 0.223 -1.890 19 H GLU 4 H GLU 4 12.617 2.003 0.007 20 HA GLU 4 HA GLU 4 11.396 0.895 2.315 21 HB2 GLU 4 1HB GLU 4 13.057 2.197 3.578 22 HB3 GLU 4 2HB GLU 4 13.804 1.423 2.185 23 HG2 GLU 4 1HG GLU 4 13.547 3.632 0.948 24 HG3 GLU 4 2HG GLU 4 13.077 4.357 2.482 25 H GLU 5 H GLU 5 11.059 3.923 0.670 26 HA GLU 5 HA GLU 5 9.766 5.431 2.706 27 HB2 GLU 5 1HB GLU 5 9.907 5.785 -0.319 28 HB3 GLU 5 2HB GLU 5 9.207 6.974 0.776 29 HG2 GLU 5 1HG GLU 5 12.093 6.030 0.849 30 HG3 GLU 5 2HG GLU 5 11.530 7.535 0.113 31 H VAL 6 H VAL 6 8.590 3.892 -0.287 32 HA VAL 6 HA VAL 6 5.844 4.459 0.222 33 HB VAL 6 HB VAL 6 6.538 4.193 -2.082 34 HG11 VAL 6 1HG1 VAL 6 7.338 1.330 -1.470 35 HG12 VAL 6 2HG1 VAL 6 8.438 2.666 -1.802 36 HG13 VAL 6 3HG1 VAL 6 7.354 2.083 -3.066 37 HG21 VAL 6 3HG2 VAL 6 4.745 1.854 -1.340 38 HG22 VAL 6 1HG2 VAL 6 4.893 2.563 -2.947 39 HG23 VAL 6 2HG2 VAL 6 4.222 3.516 -1.623 40 H LYS 7 H LYS 7 7.914 1.695 0.954 41 HA LYS 7 HA LYS 7 5.862 -0.146 1.599 42 HB2 LYS 7 1HB LYS 7 8.801 -0.047 2.399 43 HB3 LYS 7 2HB LYS 7 7.713 -1.340 2.922 44 HG2 LYS 7 1HG LYS 7 7.274 -1.905 0.528 45 HG3 LYS 7 2HG LYS 7 8.459 -0.685 0.049 46 HD2 LYS 7 1HD LYS 7 8.979 -3.189 1.683 47 HD3 LYS 7 2HD LYS 7 9.487 -2.904 0.026 48 HE2 LYS 7 1HE LYS 7 11.092 -1.250 0.723 49 HE3 LYS 7 2HE LYS 7 10.446 -1.227 2.366 50 HZ1 LYS 7 3HZ LYS 7 12.496 -2.498 2.170 51 HZ2 LYS 7 1HZ LYS 7 11.744 -3.568 1.095 52 HZ3 LYS 7 2HZ LYS 7 11.210 -3.455 2.694 53 H GLU 8 H GLU 8 8.020 1.734 3.816 54 HA GLU 8 HA GLU 8 6.713 0.771 6.120 55 HB2 GLU 8 1HB GLU 8 8.984 1.340 6.408 56 HB3 GLU 8 2HB GLU 8 8.819 2.890 5.596 57 HG2 GLU 8 1HG GLU 8 8.122 3.970 7.481 58 HG3 GLU 8 2HG GLU 8 7.248 2.577 8.094 59 H LYS 9 H LYS 9 6.337 3.751 4.221 60 HA LYS 9 HA LYS 9 4.675 5.196 5.965 61 HB2 LYS 9 1HB LYS 9 4.953 5.212 2.941 62 HB3 LYS 9 2HB LYS 9 3.812 6.283 3.752 63 HG2 LYS 9 1HG LYS 9 5.674 7.249 5.074 64 HG3 LYS 9 2HG LYS 9 6.807 6.194 4.228 65 HD2 LYS 9 1HD LYS 9 6.242 7.313 2.085 66 HD3 LYS 9 2HD LYS 9 5.111 8.374 2.936 67 HE2 LYS 9 1HE LYS 9 6.983 9.258 4.292 68 HE3 LYS 9 2HE LYS 9 8.100 8.206 3.426 69 HZ1 LYS 9 3HZ LYS 9 6.466 10.303 2.141 70 HZ2 LYS 9 1HZ LYS 9 7.712 9.402 1.441 71 HZ3 LYS 9 2HZ LYS 9 8.059 10.525 2.658 72 H ILE 10 H ILE 10 3.755 2.961 3.303 73 HA ILE 10 HA ILE 10 0.954 3.183 3.715 74 HB ILE 10 HB ILE 10 2.565 0.983 2.367 75 HG12 ILE 10 1HG1 ILE 10 0.956 3.277 1.163 76 HG13 ILE 10 2HG1 ILE 10 2.707 3.271 1.349 77 HG21 ILE 10 1HG2 ILE 10 0.461 0.230 1.286 78 HG22 ILE 10 2HG2 ILE 10 -0.452 1.388 2.253 79 HG23 ILE 10 3HG2 ILE 10 0.379 0.047 3.039 80 HD11 ILE 10 3HD1 ILE 10 1.100 1.396 -0.377 81 HD12 ILE 10 1HD1 ILE 10 2.854 1.356 -0.168 82 HD13 ILE 10 2HD1 ILE 10 2.085 2.756 -0.912 83 H ARG 11 H ARG 11 3.339 0.738 4.819 84 HA ARG 11 HA ARG 11 1.484 -0.994 6.076 85 HB2 ARG 11 1HB ARG 11 3.311 -2.288 6.767 86 HB3 ARG 11 2HB ARG 11 3.914 -1.473 5.344 87 HG2 ARG 11 1HG ARG 11 5.745 -1.236 6.662 88 HG3 ARG 11 2HG ARG 11 4.899 0.235 7.119 89 HD2 ARG 11 1HD ARG 11 4.728 -0.443 9.288 90 HD3 ARG 11 2HD ARG 11 4.107 -2.021 8.818 91 HE ARG 11 HE ARG 11 6.187 -2.917 9.043 92 HH11 ARG 11 1HH1 ARG 11 6.548 0.559 9.054 93 HH12 ARG 11 2HH1 ARG 11 8.208 0.513 9.504 94 HH21 ARG 11 1HH2 ARG 11 8.349 -3.009 9.574 95 HH22 ARG 11 2HH2 ARG 11 9.259 -1.544 9.805 96 H ARG 12 H ARG 12 3.082 1.893 7.139 97 HA ARG 12 HA ARG 12 2.456 1.710 9.900 98 HB2 ARG 12 1HB ARG 12 3.702 3.678 8.119 99 HB3 ARG 12 2HB ARG 12 2.583 4.491 9.204 100 HG2 ARG 12 1HG ARG 12 4.908 4.472 10.028 101 HG3 ARG 12 2HG ARG 12 3.797 3.658 11.133 102 HD2 ARG 12 1HD ARG 12 4.580 1.480 10.418 103 HD3 ARG 12 2HD ARG 12 5.505 2.200 9.099 104 HE ARG 12 HE ARG 12 7.093 2.980 10.608 105 HH11 ARG 12 1HH1 ARG 12 4.628 1.135 12.360 106 HH12 ARG 12 2HH1 ARG 12 5.636 0.943 13.762 107 HH21 ARG 12 1HH2 ARG 12 8.353 2.712 12.438 108 HH22 ARG 12 2HH2 ARG 12 7.735 1.831 13.801 109 H TYR 13 H TYR 13 0.904 3.323 7.109 110 HA TYR 13 HA TYR 13 -1.218 4.520 8.537 111 HB2 TYR 13 1HB TYR 13 -0.467 5.157 6.219 112 HB3 TYR 13 2HB TYR 13 -1.224 3.682 5.607 113 HD1 TYR 13 HD1 TYR 13 -2.159 6.603 7.819 114 HD2 TYR 13 HD2 TYR 13 -3.384 3.990 4.669 115 HE1 TYR 13 HE1 TYR 13 -4.271 7.825 7.615 116 HE2 TYR 13 HE2 TYR 13 -5.493 5.214 4.477 117 HH TYR 13 HH TYR 13 -6.928 6.656 5.885 118 H ILE 14 H ILE 14 -0.846 1.298 7.186 119 HA ILE 14 HA ILE 14 -3.535 0.434 7.398 120 HB ILE 14 HB ILE 14 -0.978 -1.223 7.602 121 HG12 ILE 14 1HG1 ILE 14 -2.699 -0.870 5.110 122 HG13 ILE 14 2HG1 ILE 14 -1.356 0.207 5.462 123 HG21 ILE 14 1HG2 ILE 14 -3.815 -2.132 6.962 124 HG22 ILE 14 2HG2 ILE 14 -2.921 -2.486 8.441 125 HG23 ILE 14 3HG2 ILE 14 -2.373 -3.152 6.904 126 HD11 ILE 14 3HD1 ILE 14 -1.167 -2.769 5.028 127 HD12 ILE 14 1HD1 ILE 14 0.175 -1.686 5.428 128 HD13 ILE 14 2HD1 ILE 14 -0.693 -1.491 3.905 129 H MET 15 H MET 15 -0.863 0.613 9.740 130 HA MET 15 HA MET 15 -2.302 -0.648 11.895 131 HB2 MET 15 1HB MET 15 0.145 1.164 11.998 132 HB3 MET 15 2HB MET 15 -0.470 0.217 13.344 133 HG2 MET 15 1HG MET 15 -0.009 -1.849 12.009 134 HG3 MET 15 2HG MET 15 0.772 -0.825 10.798 135 HE1 MET 15 3HE MET 15 2.958 -2.449 11.193 136 HE2 MET 15 1HE MET 15 2.072 -3.299 12.464 137 HE3 MET 15 2HE MET 15 3.693 -2.671 12.782 138 H GLU 16 H GLU 16 -1.834 2.675 10.766 139 HA GLU 16 HA GLU 16 -2.686 4.008 13.152 140 HB2 GLU 16 1HB GLU 16 -2.656 5.224 10.356 141 HB3 GLU 16 2HB GLU 16 -2.576 6.078 11.889 142 HG2 GLU 16 1HG GLU 16 -0.427 4.395 10.605 143 HG3 GLU 16 2HG GLU 16 -0.420 6.131 10.836 144 H ASP 17 H ASP 17 -4.227 3.454 9.996 145 HA ASP 17 HA ASP 17 -6.735 4.689 10.921 146 HB2 ASP 17 1HB ASP 17 -5.552 5.591 8.915 147 HB3 ASP 17 2HB ASP 17 -5.767 4.045 8.109 148 H LEU 18 H LEU 18 -5.569 1.740 9.197 149 HA LEU 18 HA LEU 18 -8.258 0.788 8.717 150 HB2 LEU 18 1HB LEU 18 -5.672 -0.742 8.231 151 HB3 LEU 18 2HB LEU 18 -7.241 -1.048 7.502 152 HG LEU 18 HG LEU 18 -5.398 1.308 6.948 153 HD11 LEU 18 1HD1 LEU 18 -4.717 -0.735 5.827 154 HD12 LEU 18 2HD1 LEU 18 -5.313 0.442 4.663 155 HD13 LEU 18 3HD1 LEU 18 -6.329 -0.926 5.127 156 HD21 LEU 18 3HD2 LEU 18 -7.671 2.160 6.941 157 HD22 LEU 18 1HD2 LEU 18 -8.191 0.870 5.853 158 HD23 LEU 18 2HD2 LEU 18 -7.046 2.093 5.298 159 H ILE 19 H ILE 19 -5.536 -0.965 10.217 160 HA ILE 19 HA ILE 19 -7.285 -2.635 11.827 161 HB ILE 19 HB ILE 19 -4.227 -2.578 11.870 162 HG12 ILE 19 1HG1 ILE 19 -5.954 -4.255 9.993 163 HG13 ILE 19 2HG1 ILE 19 -4.988 -2.864 9.509 164 HG21 ILE 19 1HG2 ILE 19 -4.382 -4.928 12.590 165 HG22 ILE 19 2HG2 ILE 19 -6.143 -4.857 12.507 166 HG23 ILE 19 3HG2 ILE 19 -5.277 -3.882 13.697 167 HD11 ILE 19 3HD1 ILE 19 -3.844 -4.902 8.944 168 HD12 ILE 19 1HD1 ILE 19 -3.931 -5.469 10.612 169 HD13 ILE 19 2HD1 ILE 19 -2.950 -4.056 10.206 170 H GLY 20 H GLY 20 -6.881 -2.850 14.183 171 HA2 GLY 20 1HA GLY 20 -5.901 -0.372 15.504 172 HA3 GLY 20 2HA GLY 20 -7.301 -1.272 16.057 173 HA PRO 21 HA PRO 21 -4.620 -3.235 18.918 174 HB2 PRO 21 1HB PRO 21 -6.024 -5.450 19.657 175 HB3 PRO 21 2HB PRO 21 -6.620 -3.812 19.993 176 HG2 PRO 21 1HG PRO 21 -7.396 -5.664 17.752 177 HG3 PRO 21 2HG PRO 21 -8.445 -4.697 18.816 178 HD2 PRO 21 1HD PRO 21 -7.752 -3.874 16.300 179 HD3 PRO 21 2HD PRO 21 -8.070 -2.729 17.622 180 H SER 22 H SER 22 -5.444 -5.141 16.076 181 HA SER 22 HA SER 22 -3.444 -7.223 16.657 182 HB2 SER 22 1HB SER 22 -5.799 -7.822 15.944 183 HB3 SER 22 2HB SER 22 -5.468 -7.086 14.376 184 HG SER 22 HG SER 22 -4.526 -8.867 13.832 185 H ALA 23 H ALA 23 -2.381 -4.703 16.191 186 HA ALA 23 HA ALA 23 -0.859 -5.106 13.706 187 HB1 ALA 23 3HB ALA 23 -2.018 -2.431 14.570 188 HB2 ALA 23 1HB ALA 23 -2.559 -3.394 13.191 189 HB3 ALA 23 2HB ALA 23 -0.928 -2.710 13.203 190 H LYS 24 H LYS 24 0.343 -6.100 15.489 191 HA LYS 24 HA LYS 24 1.865 -4.512 17.311 192 HB2 LYS 24 1HB LYS 24 1.296 -7.027 17.458 193 HB3 LYS 24 2HB LYS 24 2.621 -7.265 16.324 194 HG2 LYS 24 1HG LYS 24 4.158 -6.179 17.952 195 HG3 LYS 24 2HG LYS 24 2.806 -6.029 19.081 196 HD2 LYS 24 1HD LYS 24 2.549 -8.529 19.005 197 HD3 LYS 24 2HD LYS 24 4.016 -8.608 18.026 198 HE2 LYS 24 1HE LYS 24 4.658 -9.054 20.302 199 HE3 LYS 24 2HE LYS 24 5.212 -7.423 19.917 200 HZ1 LYS 24 3HZ LYS 24 4.146 -7.573 22.098 201 HZ2 LYS 24 1HZ LYS 24 2.706 -8.060 21.360 202 HZ3 LYS 24 2HZ LYS 24 3.323 -6.515 21.060 203 H GLU 25 H GLU 25 4.376 -4.524 17.125 204 HA GLU 25 HA GLU 25 5.032 -2.701 15.162 205 HB2 GLU 25 1HB GLU 25 7.040 -4.500 16.577 206 HB3 GLU 25 2HB GLU 25 7.356 -2.911 15.891 207 HG2 GLU 25 1HG GLU 25 5.623 -3.523 18.305 208 HG3 GLU 25 2HG GLU 25 7.217 -2.772 18.320 209 H ASP 26 H ASP 26 5.541 -6.196 15.085 210 HA ASP 26 HA ASP 26 6.726 -6.014 12.366 211 HB2 ASP 26 1HB ASP 26 7.109 -8.192 14.474 212 HB3 ASP 26 2HB ASP 26 7.814 -8.215 12.859 213 H GLU 27 H GLU 27 3.790 -6.266 13.329 214 HA GLU 27 HA GLU 27 2.938 -8.740 12.108 215 HB2 GLU 27 1HB GLU 27 1.464 -6.272 13.107 216 HB3 GLU 27 2HB GLU 27 0.619 -7.513 12.175 217 HG2 GLU 27 1HG GLU 27 2.052 -7.908 14.807 218 HG3 GLU 27 2HG GLU 27 0.310 -7.814 14.582 219 H LEU 28 H LEU 28 2.640 -5.288 11.174 220 HA LEU 28 HA LEU 28 2.193 -5.982 8.383 221 HB2 LEU 28 1HB LEU 28 2.291 -3.330 9.867 222 HB3 LEU 28 2HB LEU 28 2.265 -3.392 8.122 223 HG LEU 28 HG LEU 28 0.024 -2.962 8.986 224 HD11 LEU 28 1HD1 LEU 28 0.222 -5.738 7.791 225 HD12 LEU 28 2HD1 LEU 28 0.236 -4.210 6.902 226 HD13 LEU 28 3HD1 LEU 28 -1.200 -4.690 7.799 227 HD21 LEU 28 3HD2 LEU 28 -1.219 -4.600 10.316 228 HD22 LEU 28 1HD2 LEU 28 0.212 -4.045 11.182 229 HD23 LEU 28 2HD2 LEU 28 0.212 -5.635 10.409 230 H ASP 29 H ASP 29 3.758 -6.325 7.067 231 HA ASP 29 HA ASP 29 6.283 -4.836 7.120 232 HB2 ASP 29 1HB ASP 29 6.093 -7.879 7.292 233 HB3 ASP 29 2HB ASP 29 7.538 -7.075 6.687 234 H ASP 30 H ASP 30 7.643 -5.742 5.202 235 HA ASP 30 HA ASP 30 6.250 -5.069 2.816 236 HB2 ASP 30 1HB ASP 30 8.422 -5.273 1.731 237 HB3 ASP 30 2HB ASP 30 8.557 -4.365 3.225 238 H GLN 31 H GLN 31 6.969 -8.042 4.368 239 HA GLN 31 HA GLN 31 6.389 -9.662 1.948 240 HB2 GLN 31 1HB GLN 31 7.900 -10.443 4.484 241 HB3 GLN 31 2HB GLN 31 7.673 -11.466 3.065 242 HG2 GLN 31 1HG GLN 31 9.133 -10.158 1.745 243 HG3 GLN 31 2HG GLN 31 9.070 -8.799 2.864 244 HE21 GLN 31 1HE2 GLN 31 11.223 -8.609 3.211 245 HE22 GLN 31 2HE2 GLN 31 12.196 -9.813 3.983 246 H THR 32 H THR 32 4.792 -8.414 4.447 247 HA THR 32 HA THR 32 3.437 -10.649 5.591 248 HB THR 32 HB THR 32 2.779 -7.686 5.550 249 HG1 THR 32 HG1 THR 32 3.484 -8.915 7.908 250 HG21 THR 32 3HG2 THR 32 1.472 -9.886 7.198 251 HG22 THR 32 1HG2 THR 32 0.689 -8.943 5.931 252 HG23 THR 32 2HG2 THR 32 1.211 -8.155 7.420 253 HA PRO 33 HA PRO 33 0.630 -11.208 2.042 254 HB2 PRO 33 1HB PRO 33 -0.830 -13.268 3.074 255 HB3 PRO 33 2HB PRO 33 0.839 -13.498 2.517 256 HG2 PRO 33 1HG PRO 33 -0.169 -13.121 5.326 257 HG3 PRO 33 2HG PRO 33 1.023 -14.292 4.712 258 HD2 PRO 33 1HD PRO 33 1.755 -11.963 5.942 259 HD3 PRO 33 2HD PRO 33 2.740 -12.729 4.675 260 H LEU 34 H LEU 34 -0.298 -9.150 2.299 261 HA LEU 34 HA LEU 34 -1.921 -8.270 4.420 262 HB2 LEU 34 1HB LEU 34 -1.730 -7.187 1.581 263 HB3 LEU 34 2HB LEU 34 -2.338 -6.309 2.982 264 HG LEU 34 HG LEU 34 0.543 -7.243 2.611 265 HD11 LEU 34 1HD1 LEU 34 0.023 -5.416 1.106 266 HD12 LEU 34 2HD1 LEU 34 1.123 -4.886 2.375 267 HD13 LEU 34 3HD1 LEU 34 -0.586 -4.442 2.451 268 HD21 LEU 34 3HD2 LEU 34 1.070 -5.954 4.628 269 HD22 LEU 34 1HD2 LEU 34 -0.075 -7.248 4.975 270 HD23 LEU 34 2HD2 LEU 34 -0.642 -5.581 4.854 271 H LEU 35 H LEU 35 -2.821 -9.269 1.085 272 HA LEU 35 HA LEU 35 -5.627 -8.953 1.568 273 HB2 LEU 35 1HB LEU 35 -4.035 -9.290 -0.757 274 HB3 LEU 35 2HB LEU 35 -5.093 -10.686 -0.735 275 HG LEU 35 HG LEU 35 -7.047 -9.017 -0.410 276 HD11 LEU 35 1HD1 LEU 35 -4.954 -7.027 -1.313 277 HD12 LEU 35 2HD1 LEU 35 -5.746 -7.078 0.263 278 HD13 LEU 35 3HD1 LEU 35 -6.690 -6.721 -1.179 279 HD21 LEU 35 3HD2 LEU 35 -7.262 -8.554 -2.796 280 HD22 LEU 35 1HD2 LEU 35 -6.680 -10.196 -2.519 281 HD23 LEU 35 2HD2 LEU 35 -5.556 -8.937 -3.038 282 H GLU 36 H GLU 36 -3.411 -11.559 2.107 283 HA GLU 36 HA GLU 36 -5.348 -13.681 2.293 284 HB2 GLU 36 1HB GLU 36 -2.540 -13.485 3.463 285 HB3 GLU 36 2HB GLU 36 -3.514 -14.951 3.412 286 HG2 GLU 36 1HG GLU 36 -2.437 -13.430 1.019 287 HG3 GLU 36 2HG GLU 36 -1.828 -14.961 1.648 288 H TRP 37 H TRP 37 -3.819 -11.413 4.542 289 HA TRP 37 HA TRP 37 -5.226 -12.227 6.894 290 HB2 TRP 37 1HB TRP 37 -3.812 -9.634 6.126 291 HB3 TRP 37 2HB TRP 37 -4.576 -9.864 7.694 292 HD1 TRP 37 HD1 TRP 37 -2.757 -12.930 6.408 293 HE1 TRP 37 HE1 TRP 37 -0.591 -13.250 7.745 294 HE3 TRP 37 HE3 TRP 37 -2.629 -8.435 8.861 295 HZ2 TRP 37 HZ2 TRP 37 0.968 -11.824 9.585 296 HZ3 TRP 37 HZ3 TRP 37 -0.748 -7.992 10.399 297 HH2 TRP 37 HH2 TRP 37 1.013 -9.658 10.749 298 H GLY 38 H GLY 38 -6.046 -10.355 4.097 299 HA2 GLY 38 1HA GLY 38 -8.093 -9.688 3.307 300 HA3 GLY 38 2HA GLY 38 -8.837 -10.244 4.798 301 H ILE 39 H ILE 39 -6.229 -8.216 5.378 302 HA ILE 39 HA ILE 39 -7.832 -6.287 6.723 303 HB ILE 39 HB ILE 39 -5.653 -5.180 7.256 304 HG12 ILE 39 1HG1 ILE 39 -4.445 -7.298 5.404 305 HG13 ILE 39 2HG1 ILE 39 -4.466 -5.567 5.115 306 HG21 ILE 39 1HG2 ILE 39 -5.623 -8.201 7.629 307 HG22 ILE 39 2HG2 ILE 39 -6.430 -7.030 8.671 308 HG23 ILE 39 3HG2 ILE 39 -4.672 -7.043 8.564 309 HD11 ILE 39 3HD1 ILE 39 -3.002 -5.237 7.042 310 HD12 ILE 39 1HD1 ILE 39 -2.294 -6.297 5.825 311 HD13 ILE 39 2HD1 ILE 39 -2.966 -6.985 7.302 312 H LEU 40 H LEU 40 -6.718 -6.506 3.473 313 HA LEU 40 HA LEU 40 -7.317 -3.647 2.956 314 HB2 LEU 40 1HB LEU 40 -5.838 -5.523 1.080 315 HB3 LEU 40 2HB LEU 40 -6.038 -3.790 0.916 316 HG LEU 40 HG LEU 40 -4.238 -5.273 2.859 317 HD11 LEU 40 1HD1 LEU 40 -3.340 -5.066 0.623 318 HD12 LEU 40 2HD1 LEU 40 -2.440 -4.035 1.731 319 HD13 LEU 40 3HD1 LEU 40 -3.619 -3.319 0.625 320 HD21 LEU 40 3HD2 LEU 40 -4.849 -2.299 2.848 321 HD22 LEU 40 1HD2 LEU 40 -3.530 -3.060 3.744 322 HD23 LEU 40 2HD2 LEU 40 -5.200 -3.453 4.135 323 H ASN 41 H ASN 41 -9.564 -4.290 3.151 324 HA ASN 41 HA ASN 41 -10.745 -5.649 0.819 325 HB2 ASN 41 1HB ASN 41 -11.716 -6.217 2.990 326 HB3 ASN 41 2HB ASN 41 -11.981 -4.519 3.374 327 HD21 ASN 41 1HD2 ASN 41 -13.058 -7.211 1.376 328 HD22 ASN 41 2HD2 ASN 41 -14.600 -6.540 0.967 329 H SER 42 H SER 42 -12.439 -4.542 -0.381 330 HA SER 42 HA SER 42 -11.769 -2.427 -1.871 331 HB2 SER 42 2HB SER 42 -13.628 -3.956 -2.297 332 HB3 SER 42 1HB SER 42 -14.557 -3.261 -0.981 333 H MET 43 H MET 43 -13.771 -2.097 1.099 334 HA MET 43 HA MET 43 -14.303 0.682 0.701 335 HB2 MET 43 1HB MET 43 -14.613 -1.043 3.189 336 HB3 MET 43 2HB MET 43 -15.211 0.599 3.048 337 HG2 MET 43 1HG MET 43 -16.129 -1.497 1.096 338 HG3 MET 43 2HG MET 43 -16.840 -1.404 2.702 339 HE1 MET 43 3HE MET 43 -16.823 0.118 -0.905 340 HE2 MET 43 1HE MET 43 -15.817 1.343 -0.137 341 HE3 MET 43 2HE MET 43 -17.458 1.742 -0.654 342 H ASN 44 H ASN 44 -11.886 -1.085 2.670 343 HA ASN 44 HA ASN 44 -10.880 1.443 3.780 344 HB2 ASN 44 1HB ASN 44 -9.613 0.177 5.353 345 HB3 ASN 44 2HB ASN 44 -11.200 -0.577 5.259 346 HD21 ASN 44 1HD2 ASN 44 -7.833 -0.888 4.263 347 HD22 ASN 44 2HD2 ASN 44 -7.875 -2.592 4.021 348 H ILE 45 H ILE 45 -10.126 -0.524 1.071 349 HA ILE 45 HA ILE 45 -7.254 -0.156 1.096 350 HB ILE 45 HB ILE 45 -8.501 -2.078 -0.064 351 HG12 ILE 45 1HG1 ILE 45 -6.532 -0.639 -1.889 352 HG13 ILE 45 2HG1 ILE 45 -6.034 -1.456 -0.410 353 HG21 ILE 45 1HG2 ILE 45 -8.961 -0.006 -2.251 354 HG22 ILE 45 2HG2 ILE 45 -10.207 -0.760 -1.261 355 HG23 ILE 45 3HG2 ILE 45 -9.275 -1.740 -2.393 356 HD11 ILE 45 3HD1 ILE 45 -6.786 -3.580 -1.286 357 HD12 ILE 45 1HD1 ILE 45 -5.672 -2.810 -2.411 358 HD13 ILE 45 2HD1 ILE 45 -7.400 -2.793 -2.740 359 H VAL 46 H VAL 46 -9.983 1.596 -0.139 360 HA VAL 46 HA VAL 46 -8.637 3.372 -1.903 361 HB VAL 46 HB VAL 46 -10.673 4.730 -1.839 362 HG11 VAL 46 1HG1 VAL 46 -12.327 3.027 -2.579 363 HG12 VAL 46 2HG1 VAL 46 -11.313 1.753 -1.891 364 HG13 VAL 46 3HG1 VAL 46 -10.721 2.716 -3.244 365 HG21 VAL 46 3HG2 VAL 46 -12.589 4.176 -0.352 366 HG22 VAL 46 1HG2 VAL 46 -11.171 4.693 0.566 367 HG23 VAL 46 2HG2 VAL 46 -11.584 2.980 0.473 368 H LYS 47 H LYS 47 -9.037 3.278 1.564 369 HA LYS 47 HA LYS 47 -8.327 5.921 2.288 370 HB2 LYS 47 1HB LYS 47 -7.665 3.378 3.841 371 HB3 LYS 47 2HB LYS 47 -7.829 4.999 4.502 372 HG2 LYS 47 1HG LYS 47 -10.099 3.375 3.296 373 HG3 LYS 47 2HG LYS 47 -9.761 3.505 5.021 374 HD2 LYS 47 1HD LYS 47 -10.492 5.830 3.199 375 HD3 LYS 47 2HD LYS 47 -11.606 4.999 4.287 376 HE2 LYS 47 1HE LYS 47 -10.257 5.712 6.233 377 HE3 LYS 47 2HE LYS 47 -9.115 6.517 5.156 378 HZ1 LYS 47 3HZ LYS 47 -10.889 8.004 4.462 379 HZ2 LYS 47 1HZ LYS 47 -10.649 8.072 6.134 380 HZ3 LYS 47 2HZ LYS 47 -11.973 7.232 5.507 381 H LEU 48 H LEU 48 -6.446 2.982 1.599 382 HA LEU 48 HA LEU 48 -3.863 4.061 2.015 383 HB2 LEU 48 1HB LEU 48 -4.825 1.743 0.310 384 HB3 LEU 48 2HB LEU 48 -3.128 2.167 0.436 385 HG LEU 48 HG LEU 48 -4.924 1.187 2.678 386 HD11 LEU 48 1HD1 LEU 48 -2.509 -0.092 1.366 387 HD12 LEU 48 2HD1 LEU 48 -4.193 -0.584 1.162 388 HD13 LEU 48 3HD1 LEU 48 -3.416 -0.743 2.734 389 HD21 LEU 48 3HD2 LEU 48 -2.012 2.036 2.865 390 HD22 LEU 48 1HD2 LEU 48 -2.962 1.283 4.151 391 HD23 LEU 48 2HD2 LEU 48 -3.388 2.887 3.566 392 H MET 49 H MET 49 -5.953 3.875 -0.911 393 HA MET 49 HA MET 49 -3.929 4.741 -2.697 394 HB2 MET 49 1HB MET 49 -6.946 4.693 -2.965 395 HB3 MET 49 2HB MET 49 -5.891 5.236 -4.267 396 HG2 MET 49 1HG MET 49 -4.722 2.990 -4.114 397 HG3 MET 49 2HG MET 49 -6.035 2.469 -3.055 398 HE1 MET 49 3HE MET 49 -9.060 2.234 -5.385 399 HE2 MET 49 1HE MET 49 -8.712 3.387 -4.097 400 HE3 MET 49 2HE MET 49 -8.319 1.676 -3.889 401 H VAL 50 H VAL 50 -6.295 6.618 -0.823 402 HA VAL 50 HA VAL 50 -5.634 9.151 -2.038 403 HB VAL 50 HB VAL 50 -6.982 10.216 -0.302 404 HG11 VAL 50 1HG1 VAL 50 -8.207 9.166 -2.165 405 HG12 VAL 50 2HG1 VAL 50 -9.157 9.093 -0.681 406 HG13 VAL 50 3HG1 VAL 50 -8.319 7.651 -1.258 407 HG21 VAL 50 3HG2 VAL 50 -8.011 8.955 1.576 408 HG22 VAL 50 1HG2 VAL 50 -6.248 8.926 1.675 409 HG23 VAL 50 2HG2 VAL 50 -7.119 7.509 1.093 410 H TYR 51 H TYR 51 -4.481 7.280 0.684 411 HA TYR 51 HA TYR 51 -2.826 9.147 1.998 412 HB2 TYR 51 1HB TYR 51 -3.436 6.937 2.946 413 HB3 TYR 51 2HB TYR 51 -2.555 6.127 1.678 414 HD1 TYR 51 HD1 TYR 51 -2.075 8.506 4.524 415 HD2 TYR 51 HD2 TYR 51 -0.257 5.562 2.000 416 HE1 TYR 51 HE1 TYR 51 -0.056 8.556 5.916 417 HE2 TYR 51 HE2 TYR 51 1.756 5.606 3.393 418 HH TYR 51 HH TYR 51 2.861 7.312 4.959 419 H ILE 52 H ILE 52 -2.086 6.687 -0.412 420 HA ILE 52 HA ILE 52 0.637 7.252 -0.874 421 HB ILE 52 HB ILE 52 -1.463 5.832 -2.570 422 HG12 ILE 52 1HG1 ILE 52 0.641 4.463 -0.863 423 HG13 ILE 52 2HG1 ILE 52 -0.862 5.020 -0.137 424 HG21 ILE 52 1HG2 ILE 52 0.381 4.673 -3.732 425 HG22 ILE 52 2HG2 ILE 52 1.557 5.659 -2.862 426 HG23 ILE 52 3HG2 ILE 52 0.446 6.416 -4.005 427 HD11 ILE 52 3HD1 ILE 52 -0.959 2.683 -0.692 428 HD12 ILE 52 1HD1 ILE 52 -0.633 3.039 -2.391 429 HD13 ILE 52 2HD1 ILE 52 -2.127 3.610 -1.632 430 H ARG 53 H ARG 53 -2.374 8.377 -2.405 431 HA ARG 53 HA ARG 53 -1.290 9.807 -4.557 432 HB2 ARG 53 1HB ARG 53 -3.703 9.344 -4.347 433 HB3 ARG 53 2HB ARG 53 -3.817 10.455 -2.986 434 HG2 ARG 53 1HG ARG 53 -3.266 12.353 -4.448 435 HG3 ARG 53 2HG ARG 53 -3.015 11.258 -5.808 436 HD2 ARG 53 1HD ARG 53 -5.198 12.428 -5.912 437 HD3 ARG 53 2HD ARG 53 -5.371 10.673 -5.832 438 HE ARG 53 HE ARG 53 -6.174 10.845 -3.637 439 HH11 ARG 53 1HH1 ARG 53 -5.603 14.061 -4.981 440 HH12 ARG 53 2HH1 ARG 53 -6.570 14.849 -3.771 441 HH21 ARG 53 1HH2 ARG 53 -7.438 11.917 -2.089 442 HH22 ARG 53 2HH2 ARG 53 -7.599 13.642 -2.147 443 H ASP 54 H ASP 54 -1.505 10.695 -1.148 444 HA ASP 54 HA ASP 54 -0.630 13.439 -1.676 445 HB2 ASP 54 1HB ASP 54 -2.340 12.925 0.096 446 HB3 ASP 54 2HB ASP 54 -1.110 12.039 0.996 447 H GLU 55 H GLU 55 0.554 10.723 0.325 448 HA GLU 55 HA GLU 55 3.062 11.725 1.032 449 HB2 GLU 55 1HB GLU 55 2.076 8.854 0.807 450 HB3 GLU 55 2HB GLU 55 3.585 9.307 1.594 451 HG2 GLU 55 1HG GLU 55 0.894 10.383 2.475 452 HG3 GLU 55 2HG GLU 55 1.581 8.887 3.101 453 H MET 56 H MET 56 2.420 9.083 -1.285 454 HA MET 56 HA MET 56 5.064 9.260 -2.454 455 HB2 MET 56 1HB MET 56 2.810 7.310 -2.516 456 HB3 MET 56 2HB MET 56 3.703 7.417 -4.023 457 HG2 MET 56 1HG MET 56 4.502 5.619 -2.530 458 HG3 MET 56 2HG MET 56 5.750 6.790 -2.944 459 HE1 MET 56 3HE MET 56 3.441 5.361 -0.057 460 HE2 MET 56 1HE MET 56 2.874 7.029 -0.185 461 HE3 MET 56 2HE MET 56 3.784 6.517 1.240 462 H GLY 57 H GLY 57 2.072 10.778 -3.020 463 HA2 GLY 57 1HA GLY 57 1.393 12.278 -4.624 464 HA3 GLY 57 2HA GLY 57 2.935 12.084 -5.439 465 H VAL 58 H VAL 58 1.112 9.212 -4.784 466 HA VAL 58 HA VAL 58 0.751 8.812 -7.700 467 HB VAL 58 HB VAL 58 1.368 6.768 -5.526 468 HG11 VAL 58 1HG1 VAL 58 -0.027 5.760 -7.297 469 HG12 VAL 58 2HG1 VAL 58 1.615 5.116 -7.346 470 HG13 VAL 58 3HG1 VAL 58 1.114 6.331 -8.523 471 HG21 VAL 58 3HG2 VAL 58 3.567 6.540 -6.626 472 HG22 VAL 58 1HG2 VAL 58 3.306 8.178 -6.020 473 HG23 VAL 58 2HG2 VAL 58 3.137 7.835 -7.743 474 H SER 59 H SER 59 -1.350 8.926 -8.192 475 HA SER 59 HA SER 59 -3.447 7.844 -6.482 476 HB2 SER 59 1HB SER 59 -3.868 9.947 -7.704 477 HB3 SER 59 2HB SER 59 -3.603 9.131 -9.242 478 HG SER 59 HG SER 59 -5.658 8.729 -9.146 479 H ILE 60 H ILE 60 -3.604 5.725 -6.510 480 HA ILE 60 HA ILE 60 -2.701 4.029 -8.662 481 HB ILE 60 HB ILE 60 -4.104 3.383 -6.039 482 HG12 ILE 60 1HG1 ILE 60 -1.164 3.163 -6.841 483 HG13 ILE 60 2HG1 ILE 60 -1.844 4.344 -5.728 484 HG21 ILE 60 1HG2 ILE 60 -2.848 1.434 -8.001 485 HG22 ILE 60 2HG2 ILE 60 -4.572 1.599 -7.650 486 HG23 ILE 60 3HG2 ILE 60 -3.476 1.025 -6.397 487 HD11 ILE 60 3HD1 ILE 60 -1.685 1.360 -5.281 488 HD12 ILE 60 1HD1 ILE 60 -2.407 2.525 -4.169 489 HD13 ILE 60 2HD1 ILE 60 -0.684 2.600 -4.527 490 HA PRO 61 HA PRO 61 -6.813 4.016 -10.694 491 HB2 PRO 61 1HB PRO 61 -6.225 2.205 -12.672 492 HB3 PRO 61 2HB PRO 61 -5.637 3.882 -12.724 493 HG2 PRO 61 1HG PRO 61 -4.166 1.409 -11.796 494 HG3 PRO 61 2HG PRO 61 -3.608 2.705 -12.894 495 HD2 PRO 61 1HD PRO 61 -2.916 2.684 -10.275 496 HD3 PRO 61 2HD PRO 61 -3.211 4.208 -11.140 497 H SER 62 H SER 62 -8.591 2.656 -10.568 498 HA SER 62 HA SER 62 -8.675 0.755 -8.494 499 HB2 SER 62 1HB SER 62 -11.066 0.421 -9.276 500 HB3 SER 62 2HB SER 62 -10.616 2.104 -9.013 501 HG SER 62 HG SER 62 -11.662 2.026 -10.936 502 H THR 63 H THR 63 -8.028 0.301 -11.881 503 HA THR 63 HA THR 63 -8.618 -2.448 -12.154 504 HB THR 63 HB THR 63 -8.234 -1.058 -14.127 505 HG1 THR 63 HG1 THR 63 -7.445 -3.435 -13.894 506 HG21 THR 63 3HG2 THR 63 -6.016 -0.266 -14.813 507 HG22 THR 63 1HG2 THR 63 -5.305 -0.873 -13.315 508 HG23 THR 63 2HG2 THR 63 -6.462 0.460 -13.267 509 H HIS 64 H HIS 64 -5.830 -0.767 -10.785 510 HA HIS 64 HA HIS 64 -4.079 -3.049 -10.714 511 HB2 HIS 64 1HB HIS 64 -3.910 -0.228 -9.636 512 HB3 HIS 64 2HB HIS 64 -2.760 -1.440 -9.077 513 HD1 HIS 64 HD1 HIS 64 -3.599 -1.943 -12.615 514 HD2 HIS 64 HD2 HIS 64 -0.882 0.323 -10.428 515 HE1 HIS 64 HE1 HIS 64 -1.829 -1.235 -14.248 516 HE2 HIS 64 HE2 HIS 64 -0.330 0.301 -12.940 517 H ILE 65 H ILE 65 -6.707 -2.048 -8.758 518 HA ILE 65 HA ILE 65 -5.730 -3.134 -6.251 519 HB ILE 65 HB ILE 65 -8.496 -2.130 -7.057 520 HG12 ILE 65 1HG1 ILE 65 -8.062 -0.321 -5.394 521 HG13 ILE 65 2HG1 ILE 65 -6.487 -1.004 -5.051 522 HG21 ILE 65 1HG2 ILE 65 -9.226 -2.415 -4.718 523 HG22 ILE 65 2HG2 ILE 65 -7.689 -3.185 -4.322 524 HG23 ILE 65 3HG2 ILE 65 -8.797 -3.966 -5.442 525 HD11 ILE 65 3HD1 ILE 65 -6.262 0.913 -6.412 526 HD12 ILE 65 1HD1 ILE 65 -7.386 0.267 -7.596 527 HD13 ILE 65 2HD1 ILE 65 -5.818 -0.499 -7.361 528 H THR 66 H THR 66 -5.133 -5.169 -6.777 529 HA THR 66 HA THR 66 -7.192 -7.196 -6.733 530 HB THR 66 HB THR 66 -6.965 -6.784 -9.179 531 HG1 THR 66 HG1 THR 66 -7.482 -8.849 -8.818 532 HG21 THR 66 3HG2 THR 66 -4.603 -6.014 -9.242 533 HG22 THR 66 1HG2 THR 66 -4.898 -7.323 -10.389 534 HG23 THR 66 2HG2 THR 66 -4.069 -7.656 -8.868 535 H GLY 67 H GLY 67 -6.079 -9.416 -6.650 536 HA2 GLY 67 1HA GLY 67 -4.411 -9.294 -4.320 537 HA3 GLY 67 2HA GLY 67 -5.082 -10.728 -5.064 538 H LYS 68 H LYS 68 -3.430 -9.231 -7.513 539 HA LYS 68 HA LYS 68 -0.970 -10.746 -7.065 540 HB2 LYS 68 1HB LYS 68 -1.982 -9.108 -9.423 541 HB3 LYS 68 2HB LYS 68 -0.324 -9.695 -9.352 542 HG2 LYS 68 1HG LYS 68 -1.538 -11.258 -10.679 543 HG3 LYS 68 2HG LYS 68 -1.233 -12.037 -9.129 544 HD2 LYS 68 1HD LYS 68 -3.498 -12.576 -9.748 545 HD3 LYS 68 2HD LYS 68 -3.606 -11.385 -8.448 546 HE2 LYS 68 1HE LYS 68 -3.963 -9.604 -10.155 547 HE3 LYS 68 2HE LYS 68 -3.911 -10.830 -11.421 548 HZ1 LYS 68 3HZ LYS 68 -5.896 -10.671 -9.233 549 HZ2 LYS 68 1HZ LYS 68 -5.843 -11.866 -10.428 550 HZ3 LYS 68 2HZ LYS 68 -6.147 -10.259 -10.853 551 H TYR 69 H TYR 69 -2.023 -7.366 -7.120 552 HA TYR 69 HA TYR 69 0.681 -6.335 -6.667 553 HB2 TYR 69 1HB TYR 69 -2.003 -4.904 -6.920 554 HB3 TYR 69 2HB TYR 69 -0.449 -4.092 -6.736 555 HD1 TYR 69 HD1 TYR 69 1.333 -4.484 -8.579 556 HD2 TYR 69 HD2 TYR 69 -2.783 -5.479 -9.096 557 HE1 TYR 69 HE1 TYR 69 1.629 -4.473 -11.014 558 HE2 TYR 69 HE2 TYR 69 -2.489 -5.471 -11.530 559 HH TYR 69 HH TYR 69 -1.018 -4.573 -13.204 560 H PHE 70 H PHE 70 -2.480 -6.371 -4.995 561 HA PHE 70 HA PHE 70 -1.277 -5.323 -2.541 562 HB2 PHE 70 1HB PHE 70 -4.164 -5.775 -3.385 563 HB3 PHE 70 2HB PHE 70 -3.706 -5.217 -1.777 564 HD1 PHE 70 HD1 PHE 70 -3.812 -4.296 -5.370 565 HD2 PHE 70 HD2 PHE 70 -2.889 -2.939 -1.413 566 HE1 PHE 70 HE1 PHE 70 -3.695 -1.973 -6.180 567 HE2 PHE 70 HE2 PHE 70 -2.784 -0.626 -2.235 568 HZ PHE 70 HZ PHE 70 -3.185 -0.140 -4.617 569 H LYS 71 H LYS 71 -0.898 -8.135 -3.607 570 HA LYS 71 HA LYS 71 -1.885 -10.005 -1.721 571 HB2 LYS 71 1HB LYS 71 -0.813 -10.641 -3.879 572 HB3 LYS 71 2HB LYS 71 0.732 -10.031 -3.300 573 HG2 LYS 71 1HG LYS 71 0.682 -11.738 -1.479 574 HG3 LYS 71 2HG LYS 71 -0.828 -12.359 -2.139 575 HD2 LYS 71 1HD LYS 71 1.859 -12.341 -3.555 576 HD3 LYS 71 2HD LYS 71 1.084 -13.746 -2.822 577 HE2 LYS 71 1HE LYS 71 -0.818 -13.476 -4.439 578 HE3 LYS 71 2HE LYS 71 0.075 -12.166 -5.215 579 HZ1 LYS 71 3HZ LYS 71 1.820 -13.690 -5.757 580 HZ2 LYS 71 1HZ LYS 71 0.355 -14.290 -6.337 581 HZ3 LYS 71 2HZ LYS 71 1.046 -14.954 -4.949 582 H ASP 72 H ASP 72 1.134 -8.212 -2.003 583 HA ASP 72 HA ASP 72 1.494 -8.031 0.875 584 HB2 ASP 72 1HB ASP 72 3.853 -8.803 0.780 585 HB3 ASP 72 2HB ASP 72 2.748 -10.094 0.334 586 H LEU 73 H LEU 73 3.449 -6.611 1.283 587 HA LEU 73 HA LEU 73 2.789 -4.105 0.062 588 HB2 LEU 73 1HB LEU 73 3.090 -4.424 2.461 589 HB3 LEU 73 2HB LEU 73 4.745 -4.936 2.210 590 HG LEU 73 HG LEU 73 5.255 -2.602 1.359 591 HD11 LEU 73 1HD1 LEU 73 2.997 -1.908 0.743 592 HD12 LEU 73 2HD1 LEU 73 3.715 -0.781 1.891 593 HD13 LEU 73 3HD1 LEU 73 2.502 -1.941 2.440 594 HD21 LEU 73 3HD2 LEU 73 5.897 -3.300 3.590 595 HD22 LEU 73 1HD2 LEU 73 4.301 -2.885 4.223 596 HD23 LEU 73 2HD2 LEU 73 5.370 -1.624 3.613 597 H ASN 74 H ASN 74 5.427 -6.400 -0.412 598 HA ASN 74 HA ASN 74 7.184 -4.573 -1.799 599 HB2 ASN 74 1HB ASN 74 7.020 -7.604 -1.683 600 HB3 ASN 74 2HB ASN 74 8.144 -6.801 -2.776 601 HD21 ASN 74 1HD2 ASN 74 8.607 -8.531 -0.412 602 HD22 ASN 74 2HD2 ASN 74 9.646 -7.615 0.624 603 H ALA 75 H ALA 75 4.564 -6.740 -2.726 604 HA ALA 75 HA ALA 75 4.767 -6.295 -5.561 605 HB1 ALA 75 3HB ALA 75 3.749 -8.323 -4.604 606 HB2 ALA 75 1HB ALA 75 2.623 -7.476 -5.670 607 HB3 ALA 75 2HB ALA 75 2.448 -7.350 -3.917 608 H ILE 76 H ILE 76 3.173 -4.653 -2.898 609 HA ILE 76 HA ILE 76 1.615 -2.847 -4.513 610 HB ILE 76 HB ILE 76 2.567 -2.577 -1.628 611 HG12 ILE 76 1HG1 ILE 76 -0.127 -3.448 -2.754 612 HG13 ILE 76 2HG1 ILE 76 1.049 -4.491 -1.965 613 HG21 ILE 76 1HG2 ILE 76 0.476 -0.886 -3.059 614 HG22 ILE 76 2HG2 ILE 76 2.073 -0.337 -2.549 615 HG23 ILE 76 3HG2 ILE 76 0.875 -0.800 -1.341 616 HD11 ILE 76 3HD1 ILE 76 -0.743 -4.004 -0.464 617 HD12 ILE 76 1HD1 ILE 76 -0.533 -2.268 -0.688 618 HD13 ILE 76 2HD1 ILE 76 0.719 -3.213 0.123 619 H SER 77 H SER 77 4.861 -2.743 -3.004 620 HA SER 77 HA SER 77 5.305 0.032 -3.432 621 HB2 SER 77 1HB SER 77 7.695 -0.495 -2.874 622 HB3 SER 77 2HB SER 77 6.558 -1.144 -1.697 623 HG SER 77 HG SER 77 7.681 -2.879 -2.045 624 H ARG 78 H ARG 78 6.070 -2.904 -5.304 625 HA ARG 78 HA ARG 78 7.836 -1.773 -7.165 626 HB2 ARG 78 1HB ARG 78 7.483 -3.749 -8.551 627 HB3 ARG 78 2HB ARG 78 7.547 -4.234 -6.860 628 HG2 ARG 78 1HG ARG 78 5.089 -4.382 -6.807 629 HG3 ARG 78 2HG ARG 78 5.023 -3.897 -8.499 630 HD2 ARG 78 1HD ARG 78 6.234 -5.946 -9.133 631 HD3 ARG 78 2HD ARG 78 6.312 -6.425 -7.429 632 HE ARG 78 HE ARG 78 3.635 -5.900 -8.378 633 HH11 ARG 78 1HH1 ARG 78 6.088 -8.387 -8.113 634 HH12 ARG 78 2HH1 ARG 78 4.946 -9.688 -8.197 635 HH21 ARG 78 1HH2 ARG 78 2.148 -7.622 -8.452 636 HH22 ARG 78 2HH2 ARG 78 2.722 -9.255 -8.393 637 H THR 79 H THR 79 4.277 -2.023 -7.211 638 HA THR 79 HA THR 79 4.032 -1.021 -9.896 639 HB THR 79 HB THR 79 2.313 -2.586 -8.850 640 HG1 THR 79 HG1 THR 79 2.015 -0.616 -10.562 641 HG21 THR 79 3HG2 THR 79 0.465 -1.591 -7.546 642 HG22 THR 79 1HG2 THR 79 1.321 -0.051 -7.479 643 HG23 THR 79 2HG2 THR 79 1.989 -1.472 -6.661 644 H VAL 80 H VAL 80 3.908 0.359 -6.613 645 HA VAL 80 HA VAL 80 2.799 2.894 -7.390 646 HB VAL 80 HB VAL 80 4.283 2.078 -4.849 647 HG11 VAL 80 1HG1 VAL 80 2.790 4.685 -5.375 648 HG12 VAL 80 2HG1 VAL 80 4.530 4.514 -5.137 649 HG13 VAL 80 3HG1 VAL 80 3.424 4.167 -3.810 650 HG21 VAL 80 3HG2 VAL 80 2.109 0.936 -5.162 651 HG22 VAL 80 1HG2 VAL 80 1.305 2.497 -5.342 652 HG23 VAL 80 2HG2 VAL 80 2.039 2.054 -3.800 653 H GLU 81 H GLU 81 6.109 1.678 -6.932 654 HA GLU 81 HA GLU 81 7.504 4.124 -7.281 655 HB2 GLU 81 1HB GLU 81 8.349 1.238 -7.777 656 HB3 GLU 81 2HB GLU 81 9.467 2.599 -7.854 657 HG2 GLU 81 1HG GLU 81 9.145 3.075 -5.510 658 HG3 GLU 81 2HG GLU 81 7.859 1.886 -5.384 659 H GLN 82 H GLN 82 6.418 1.622 -9.531 660 HA GLN 82 HA GLN 82 7.451 2.758 -11.925 661 HB2 GLN 82 1HB GLN 82 6.708 0.425 -11.877 662 HB3 GLN 82 2HB GLN 82 5.061 0.915 -11.497 663 HG2 GLN 82 1HG GLN 82 5.272 0.255 -13.855 664 HG3 GLN 82 2HG GLN 82 4.834 1.956 -13.716 665 HE21 GLN 82 1HE2 GLN 82 5.644 2.517 -15.754 666 HE22 GLN 82 2HE2 GLN 82 7.325 2.507 -16.143 667 H LEU 83 H LEU 83 4.278 2.973 -10.354 668 HA LEU 83 HA LEU 83 3.016 4.741 -12.171 669 HB2 LEU 83 1HB LEU 83 2.477 3.670 -9.420 670 HB3 LEU 83 2HB LEU 83 1.634 5.136 -9.845 671 HG LEU 83 HG LEU 83 0.458 4.053 -11.657 672 HD11 LEU 83 1HD1 LEU 83 2.218 2.567 -12.495 673 HD12 LEU 83 2HD1 LEU 83 0.702 1.706 -12.243 674 HD13 LEU 83 3HD1 LEU 83 2.021 1.525 -11.085 675 HD21 LEU 83 3HD2 LEU 83 0.393 2.346 -9.148 676 HD22 LEU 83 1HD2 LEU 83 -0.866 2.405 -10.388 677 HD23 LEU 83 2HD2 LEU 83 -0.513 3.837 -9.425 678 H LYS 84 H LYS 84 5.244 5.294 -9.564 679 HA LYS 84 HA LYS 84 4.650 8.094 -9.191 680 HB2 LYS 84 1HB LYS 84 5.640 6.540 -7.430 681 HB3 LYS 84 2HB LYS 84 7.156 6.580 -8.320 682 HG2 LYS 84 1HG LYS 84 7.495 8.905 -7.830 683 HG3 LYS 84 2HG LYS 84 5.819 9.105 -7.303 684 HD2 LYS 84 1HD LYS 84 7.332 9.071 -5.369 685 HD3 LYS 84 2HD LYS 84 6.248 7.678 -5.334 686 HE2 LYS 84 1HE LYS 84 8.479 6.952 -4.708 687 HE3 LYS 84 2HE LYS 84 8.115 6.289 -6.302 688 HZ1 LYS 84 3HZ LYS 84 9.401 8.083 -7.291 689 HZ2 LYS 84 1HZ LYS 84 10.335 7.183 -6.204 690 HZ3 LYS 84 2HZ LYS 84 9.754 8.702 -5.753 691 H ALA 85 H ALA 85 6.963 6.116 -10.976 692 HA ALA 85 HA ALA 85 8.510 8.172 -12.172 693 HB1 ALA 85 3HB ALA 85 9.237 5.805 -12.132 694 HB2 ALA 85 1HB ALA 85 9.203 6.432 -13.784 695 HB3 ALA 85 2HB ALA 85 7.907 5.377 -13.213 696 H GLU 86 H GLU 86 5.536 6.483 -13.110 697 HA GLU 86 HA GLU 86 5.153 7.656 -15.667 698 HB2 GLU 86 1HB GLU 86 3.117 6.391 -13.772 699 HB3 GLU 86 2HB GLU 86 2.824 6.756 -15.470 700 HG2 GLU 86 1HG GLU 86 4.882 4.794 -14.426 701 HG3 GLU 86 2HG GLU 86 3.322 4.365 -15.105 702 H SER 87 H SER 87 4.004 8.503 -12.403 703 HA SER 87 HA SER 87 2.383 10.727 -13.195 704 HB2 SER 87 1HB SER 87 2.064 9.515 -11.036 705 HB3 SER 87 2HB SER 87 3.616 10.127 -10.461 706 HG SER 87 HG SER 87 1.515 11.833 -11.316 707 H ALA 88 H ALA 88 5.810 10.330 -12.726 708 HA ALA 88 HA ALA 88 6.480 13.143 -12.547 709 HB1 ALA 88 3HB ALA 88 8.239 10.741 -13.177 710 HB2 ALA 88 1HB ALA 88 7.972 11.431 -11.574 711 HB3 ALA 88 2HB ALA 88 8.817 12.369 -12.808 712 H LEU 89 H LEU 89 6.201 10.678 -15.062 713 HA LEU 89 HA LEU 89 7.186 12.309 -17.238 714 HB2 LEU 89 1HB LEU 89 5.674 9.663 -17.260 715 HB3 LEU 89 2HB LEU 89 6.443 10.395 -18.658 716 HG LEU 89 HG LEU 89 7.886 9.396 -16.185 717 HD11 LEU 89 1HD1 LEU 89 7.808 8.176 -18.950 718 HD12 LEU 89 2HD1 LEU 89 7.012 7.546 -17.504 719 HD13 LEU 89 3HD1 LEU 89 8.771 7.608 -17.581 720 HD21 LEU 89 3HD2 LEU 89 9.054 10.567 -18.730 721 HD22 LEU 89 1HD2 LEU 89 9.979 9.807 -17.431 722 HD23 LEU 89 2HD2 LEU 89 9.089 11.293 -17.122 723 H GLU 90 H GLU 90 4.116 11.732 -15.726 724 HA GLU 90 HA GLU 90 2.629 13.164 -17.861 725 HB2 GLU 90 1HB GLU 90 1.605 10.929 -16.039 726 HB3 GLU 90 2HB GLU 90 0.671 11.768 -17.277 727 HG2 GLU 90 1HG GLU 90 2.058 10.819 -19.041 728 HG3 GLU 90 2HG GLU 90 3.131 10.090 -17.850 729 H282 PNS 101 2H28 PNS 142 -11.679 -3.061 -5.814 730 H281 PNS 101 3H28 PNS 142 -11.603 -3.296 -4.067 731 H303 PNS 101 2H51 PNS 142 -12.326 -5.481 -3.056 732 H302 PNS 101 3H51 PNS 142 -12.886 -6.786 -4.095 733 H301 PNS 101 1H51 PNS 142 -13.884 -5.341 -3.878 734 H313 PNS 101 2H52 PNS 142 -10.745 -6.649 -5.407 735 H312 PNS 101 3H52 PNS 142 -10.229 -5.114 -6.098 736 H311 PNS 101 1H52 PNS 142 -10.203 -5.344 -4.343 737 H32 PNS 101 H32 PNS 142 -13.965 -5.063 -6.394 738 H33 PNS 101 H33 PNS 142 -11.471 -5.160 -7.769 739 H36 PNS 101 H36 PNS 142 -14.565 -7.210 -5.579 740 H372 PNS 101 2H37 PNS 142 -13.228 -9.541 -6.866 741 H371 PNS 101 3H37 PNS 142 -14.975 -9.378 -6.672 742 H382 PNS 101 2H38 PNS 142 -13.966 -10.887 -4.964 743 H381 PNS 101 3H38 PNS 142 -14.761 -9.489 -4.241 744 H41 PNS 101 H41 PNS 142 -11.523 -9.582 -5.776 745 H422 PNS 101 2H42 PNS 142 -10.128 -8.007 -4.029 746 H421 PNS 101 3H42 PNS 142 -9.989 -9.630 -3.350 747 H431 PNS 101 2H43 PNS 142 -8.073 -9.045 -4.821 748 H432 PNS 101 3H43 PNS 142 -8.980 -10.439 -5.444 749 H44 PNS 101 H44 PNS 142 -9.258 -7.200 -6.559 Start of MODEL 17 1 H1 MET 1 1H MET 1 13.239 10.448 -3.918 2 H2 MET 1 2H MET 1 11.736 9.851 -3.437 3 H3 MET 1 3H MET 1 11.958 10.397 -5.017 4 HA MET 1 HA MET 1 11.909 7.999 -4.870 5 HB2 MET 1 1HB MET 1 14.564 9.254 -5.701 6 HB3 MET 1 2HB MET 1 14.060 7.630 -6.153 7 HG2 MET 1 1HG MET 1 12.169 8.534 -7.419 8 HG3 MET 1 2HG MET 1 12.584 10.173 -6.917 9 HE1 MET 1 3HE MET 1 15.938 10.809 -8.866 10 HE2 MET 1 1HE MET 1 15.749 10.314 -7.185 11 HE3 MET 1 2HE MET 1 14.682 11.542 -7.871 12 H ASP 2 H ASP 2 11.722 7.364 -2.690 13 HA ASP 2 HA ASP 2 14.211 6.313 -1.473 14 HB2 ASP 2 1HB ASP 2 11.780 7.471 -0.030 15 HB3 ASP 2 2HB ASP 2 13.055 6.566 0.778 16 H GLY 3 H GLY 3 14.030 4.209 -2.033 17 HA2 GLY 3 1HA GLY 3 11.692 2.843 -2.765 18 HA3 GLY 3 2HA GLY 3 13.230 2.100 -2.359 19 H GLU 4 H GLU 4 13.716 2.276 0.150 20 HA GLU 4 HA GLU 4 12.013 0.403 1.377 21 HB2 GLU 4 1HB GLU 4 13.438 0.639 3.353 22 HB3 GLU 4 2HB GLU 4 14.441 0.648 1.904 23 HG2 GLU 4 1HG GLU 4 14.687 3.082 2.044 24 HG3 GLU 4 2HG GLU 4 13.607 3.141 3.435 25 H GLU 5 H GLU 5 12.046 3.937 1.591 26 HA GLU 5 HA GLU 5 10.420 4.057 3.930 27 HB2 GLU 5 1HB GLU 5 11.042 6.199 1.883 28 HB3 GLU 5 2HB GLU 5 10.148 6.485 3.377 29 HG2 GLU 5 1HG GLU 5 12.262 5.459 4.537 30 HG3 GLU 5 2HG GLU 5 13.068 5.813 3.010 31 H VAL 6 H VAL 6 9.663 4.177 0.393 32 HA VAL 6 HA VAL 6 6.918 4.762 0.592 33 HB VAL 6 HB VAL 6 8.363 2.966 -1.399 34 HG11 VAL 6 1HG1 VAL 6 6.390 3.162 -2.897 35 HG12 VAL 6 2HG1 VAL 6 5.493 3.970 -1.609 36 HG13 VAL 6 3HG1 VAL 6 5.996 2.288 -1.414 37 HG21 VAL 6 3HG2 VAL 6 8.182 4.888 -2.936 38 HG22 VAL 6 1HG2 VAL 6 9.057 5.327 -1.469 39 HG23 VAL 6 2HG2 VAL 6 7.378 5.832 -1.679 40 H LYS 7 H LYS 7 8.585 1.630 0.863 41 HA LYS 7 HA LYS 7 6.330 0.016 1.299 42 HB2 LYS 7 1HB LYS 7 9.256 -0.328 1.967 43 HB3 LYS 7 2HB LYS 7 8.101 -1.462 2.635 44 HG2 LYS 7 1HG LYS 7 8.780 -2.562 0.700 45 HG3 LYS 7 2HG LYS 7 7.292 -1.770 0.177 46 HD2 LYS 7 1HD LYS 7 8.805 -1.349 -1.593 47 HD3 LYS 7 2HD LYS 7 8.815 0.155 -0.671 48 HE2 LYS 7 1HE LYS 7 11.096 -0.373 -1.235 49 HE3 LYS 7 2HE LYS 7 10.893 -0.673 0.490 50 HZ1 LYS 7 3HZ LYS 7 12.130 -2.416 -0.587 51 HZ2 LYS 7 1HZ LYS 7 10.835 -2.736 -1.624 52 HZ3 LYS 7 2HZ LYS 7 10.678 -2.999 0.032 53 H GLU 8 H GLU 8 8.550 1.434 3.769 54 HA GLU 8 HA GLU 8 7.030 0.389 5.957 55 HB2 GLU 8 1HB GLU 8 8.617 1.450 7.398 56 HB3 GLU 8 2HB GLU 8 9.495 0.831 6.015 57 HG2 GLU 8 1HG GLU 8 10.520 2.894 6.381 58 HG3 GLU 8 2HG GLU 8 9.359 3.264 5.105 59 H LYS 9 H LYS 9 6.671 3.297 4.162 60 HA LYS 9 HA LYS 9 5.075 4.754 6.053 61 HB2 LYS 9 1HB LYS 9 5.470 4.996 3.062 62 HB3 LYS 9 2HB LYS 9 4.334 6.026 3.922 63 HG2 LYS 9 1HG LYS 9 6.150 6.943 5.279 64 HG3 LYS 9 2HG LYS 9 7.310 5.870 4.489 65 HD2 LYS 9 1HD LYS 9 6.862 6.989 2.320 66 HD3 LYS 9 2HD LYS 9 5.693 8.055 3.115 67 HE2 LYS 9 1HE LYS 9 8.658 7.899 3.743 68 HE3 LYS 9 2HE LYS 9 7.875 9.177 2.809 69 HZ1 LYS 9 3HZ LYS 9 6.492 9.581 4.865 70 HZ2 LYS 9 1HZ LYS 9 8.124 9.983 4.980 71 HZ3 LYS 9 2HZ LYS 9 7.560 8.570 5.690 72 H ILE 10 H ILE 10 4.309 2.734 3.198 73 HA ILE 10 HA ILE 10 1.487 3.002 3.386 74 HB ILE 10 HB ILE 10 3.169 0.860 2.025 75 HG12 ILE 10 1HG1 ILE 10 1.732 3.283 0.835 76 HG13 ILE 10 2HG1 ILE 10 3.456 3.223 1.185 77 HG21 ILE 10 1HG2 ILE 10 1.139 0.266 0.714 78 HG22 ILE 10 2HG2 ILE 10 0.185 1.376 1.698 79 HG23 ILE 10 3HG2 ILE 10 0.916 -0.050 2.437 80 HD11 ILE 10 3HD1 ILE 10 3.012 2.898 -1.171 81 HD12 ILE 10 1HD1 ILE 10 1.998 1.500 -0.815 82 HD13 ILE 10 2HD1 ILE 10 3.731 1.446 -0.475 83 H ARG 11 H ARG 11 3.787 0.551 4.632 84 HA ARG 11 HA ARG 11 1.821 -1.183 5.727 85 HB2 ARG 11 1HB ARG 11 3.533 -2.510 6.618 86 HB3 ARG 11 2HB ARG 11 4.224 -1.826 5.168 87 HG2 ARG 11 1HG ARG 11 5.995 -1.772 6.651 88 HG3 ARG 11 2HG ARG 11 5.386 -0.123 6.724 89 HD2 ARG 11 1HD ARG 11 4.584 -0.385 8.910 90 HD3 ARG 11 2HD ARG 11 4.402 -2.126 8.739 91 HE ARG 11 HE ARG 11 6.501 -2.414 9.503 92 HH11 ARG 11 1HH1 ARG 11 6.327 0.951 8.493 93 HH12 ARG 11 2HH1 ARG 11 7.896 1.332 9.121 94 HH21 ARG 11 1HH2 ARG 11 8.550 -1.915 10.286 95 HH22 ARG 11 2HH2 ARG 11 9.164 -0.295 10.141 96 H ARG 12 H ARG 12 3.409 1.653 6.832 97 HA ARG 12 HA ARG 12 2.864 1.475 9.587 98 HB2 ARG 12 1HB ARG 12 4.214 3.273 7.933 99 HB3 ARG 12 2HB ARG 12 2.834 4.223 8.424 100 HG2 ARG 12 1HG ARG 12 4.665 4.690 9.877 101 HG3 ARG 12 2HG ARG 12 3.444 3.812 10.792 102 HD2 ARG 12 1HD ARG 12 5.048 2.334 11.414 103 HD3 ARG 12 2HD ARG 12 5.201 1.833 9.721 104 HE ARG 12 HE ARG 12 7.122 3.109 9.521 105 HH11 ARG 12 1HH1 ARG 12 5.628 3.909 12.607 106 HH12 ARG 12 2HH1 ARG 12 7.009 4.806 13.164 107 HH21 ARG 12 1HH2 ARG 12 8.877 4.334 10.257 108 HH22 ARG 12 2HH2 ARG 12 8.834 5.047 11.849 109 H TYR 13 H TYR 13 1.182 3.040 6.878 110 HA TYR 13 HA TYR 13 -0.938 4.185 8.345 111 HB2 TYR 13 1HB TYR 13 -0.175 4.829 6.035 112 HB3 TYR 13 2HB TYR 13 -0.940 3.360 5.421 113 HD1 TYR 13 HD1 TYR 13 -1.808 6.333 7.578 114 HD2 TYR 13 HD2 TYR 13 -3.130 3.605 4.559 115 HE1 TYR 13 HE1 TYR 13 -3.904 7.575 7.375 116 HE2 TYR 13 HE2 TYR 13 -5.227 4.849 4.372 117 HH TYR 13 HH TYR 13 -6.621 6.337 5.795 118 H ILE 14 H ILE 14 -0.495 0.969 7.013 119 HA ILE 14 HA ILE 14 -3.184 0.079 7.191 120 HB ILE 14 HB ILE 14 -0.633 -1.576 7.412 121 HG12 ILE 14 1HG1 ILE 14 -2.289 -1.146 4.890 122 HG13 ILE 14 2HG1 ILE 14 -0.946 -0.091 5.301 123 HG21 ILE 14 1HG2 ILE 14 -2.595 -2.854 8.180 124 HG22 ILE 14 2HG2 ILE 14 -2.027 -3.483 6.633 125 HG23 ILE 14 3HG2 ILE 14 -3.461 -2.457 6.692 126 HD11 ILE 14 3HD1 ILE 14 0.564 -2.010 5.248 127 HD12 ILE 14 1HD1 ILE 14 -0.259 -1.735 3.711 128 HD13 ILE 14 2HD1 ILE 14 -0.791 -3.045 4.771 129 H MET 15 H MET 15 -0.521 0.268 9.500 130 HA MET 15 HA MET 15 -1.929 -0.975 11.685 131 HB2 MET 15 1HB MET 15 0.602 0.721 11.752 132 HB3 MET 15 2HB MET 15 0.057 -0.402 12.997 133 HG2 MET 15 1HG MET 15 0.386 -2.281 11.443 134 HG3 MET 15 2HG MET 15 0.910 -1.162 10.190 135 HE1 MET 15 3HE MET 15 3.295 -2.132 14.013 136 HE2 MET 15 1HE MET 15 1.738 -2.851 13.591 137 HE3 MET 15 2HE MET 15 1.828 -1.151 14.070 138 H GLU 16 H GLU 16 -1.419 2.313 10.520 139 HA GLU 16 HA GLU 16 -2.104 3.700 12.939 140 HB2 GLU 16 1HB GLU 16 -1.959 4.786 10.091 141 HB3 GLU 16 2HB GLU 16 -2.072 5.769 11.544 142 HG2 GLU 16 1HG GLU 16 0.263 4.150 10.535 143 HG3 GLU 16 2HG GLU 16 0.190 5.873 10.867 144 H ASP 17 H ASP 17 -3.756 3.302 9.825 145 HA ASP 17 HA ASP 17 -6.229 4.465 10.943 146 HB2 ASP 17 1HB ASP 17 -5.232 5.704 9.109 147 HB3 ASP 17 2HB ASP 17 -5.164 4.259 8.112 148 H LEU 18 H LEU 18 -5.157 1.865 8.696 149 HA LEU 18 HA LEU 18 -7.752 0.919 8.096 150 HB2 LEU 18 1HB LEU 18 -5.143 -0.628 7.863 151 HB3 LEU 18 2HB LEU 18 -6.651 -0.994 7.035 152 HG LEU 18 HG LEU 18 -4.797 1.365 6.534 153 HD11 LEU 18 1HD1 LEU 18 -4.135 -0.748 5.492 154 HD12 LEU 18 2HD1 LEU 18 -4.589 0.460 4.302 155 HD13 LEU 18 3HD1 LEU 18 -5.701 -0.855 4.684 156 HD21 LEU 18 3HD2 LEU 18 -7.552 0.924 5.323 157 HD22 LEU 18 1HD2 LEU 18 -6.377 2.144 4.810 158 HD23 LEU 18 2HD2 LEU 18 -7.079 2.227 6.420 159 H ILE 19 H ILE 19 -5.296 -0.401 10.309 160 HA ILE 19 HA ILE 19 -7.366 -2.075 11.640 161 HB ILE 19 HB ILE 19 -4.368 -2.596 11.748 162 HG12 ILE 19 1HG1 ILE 19 -6.213 -3.950 9.734 163 HG13 ILE 19 2HG1 ILE 19 -5.106 -2.643 9.321 164 HG21 ILE 19 1HG2 ILE 19 -6.712 -4.479 12.204 165 HG22 ILE 19 2HG2 ILE 19 -5.729 -3.728 13.463 166 HG23 ILE 19 3HG2 ILE 19 -5.003 -4.897 12.358 167 HD11 ILE 19 3HD1 ILE 19 -4.325 -5.354 10.400 168 HD12 ILE 19 1HD1 ILE 19 -3.212 -4.035 10.022 169 HD13 ILE 19 2HD1 ILE 19 -4.156 -4.788 8.739 170 H GLY 20 H GLY 20 -6.995 -2.323 13.994 171 HA2 GLY 20 1HA GLY 20 -5.556 -0.051 15.267 172 HA3 GLY 20 2HA GLY 20 -7.036 -0.760 15.895 173 HA PRO 21 HA PRO 21 -4.307 -3.103 18.511 174 HB2 PRO 21 1HB PRO 21 -6.011 -4.891 19.654 175 HB3 PRO 21 2HB PRO 21 -6.189 -3.143 19.924 176 HG2 PRO 21 1HG PRO 21 -7.711 -4.910 18.023 177 HG3 PRO 21 2HG PRO 21 -8.328 -3.648 19.114 178 HD2 PRO 21 1HD PRO 21 -7.858 -3.224 16.427 179 HD3 PRO 21 2HD PRO 21 -7.799 -1.928 17.637 180 H SER 22 H SER 22 -5.886 -4.740 15.873 181 HA SER 22 HA SER 22 -4.513 -7.290 16.190 182 HB2 SER 22 1HB SER 22 -6.840 -7.112 15.278 183 HB3 SER 22 2HB SER 22 -6.202 -6.263 13.876 184 HG SER 22 HG SER 22 -4.983 -8.159 13.403 185 H ALA 23 H ALA 23 -3.459 -4.356 15.217 186 HA ALA 23 HA ALA 23 -1.506 -5.388 13.253 187 HB1 ALA 23 3HB ALA 23 -2.848 -3.562 12.336 188 HB2 ALA 23 1HB ALA 23 -1.185 -3.031 12.593 189 HB3 ALA 23 2HB ALA 23 -2.455 -2.547 13.724 190 H LYS 24 H LYS 24 -0.602 -6.334 15.200 191 HA LYS 24 HA LYS 24 0.518 -4.791 17.289 192 HB2 LYS 24 1HB LYS 24 -0.062 -7.167 17.518 193 HB3 LYS 24 2HB LYS 24 1.104 -7.606 16.282 194 HG2 LYS 24 1HG LYS 24 1.925 -8.195 18.496 195 HG3 LYS 24 2HG LYS 24 2.949 -6.952 17.763 196 HD2 LYS 24 1HD LYS 24 1.796 -5.220 19.114 197 HD3 LYS 24 2HD LYS 24 0.787 -6.465 19.856 198 HE2 LYS 24 1HE LYS 24 2.822 -7.515 20.816 199 HE3 LYS 24 2HE LYS 24 3.813 -6.261 20.079 200 HZ1 LYS 24 3HZ LYS 24 1.707 -5.801 22.095 201 HZ2 LYS 24 1HZ LYS 24 2.737 -4.639 21.433 202 HZ3 LYS 24 2HZ LYS 24 3.365 -5.865 22.405 203 H GLU 25 H GLU 25 3.014 -4.769 17.662 204 HA GLU 25 HA GLU 25 3.902 -2.746 16.021 205 HB2 GLU 25 1HB GLU 25 5.558 -4.488 17.872 206 HB3 GLU 25 2HB GLU 25 5.996 -2.873 17.317 207 HG2 GLU 25 1HG GLU 25 4.089 -1.915 18.493 208 HG3 GLU 25 2HG GLU 25 3.542 -3.520 18.973 209 H ASP 26 H ASP 26 4.557 -6.170 15.603 210 HA ASP 26 HA ASP 26 6.550 -5.566 13.468 211 HB2 ASP 26 1HB ASP 26 6.411 -7.913 15.405 212 HB3 ASP 26 2HB ASP 26 7.539 -7.839 14.057 213 H GLU 27 H GLU 27 3.478 -6.247 13.632 214 HA GLU 27 HA GLU 27 3.210 -8.741 12.250 215 HB2 GLU 27 1HB GLU 27 1.375 -6.639 13.338 216 HB3 GLU 27 2HB GLU 27 0.719 -7.650 12.057 217 HG2 GLU 27 1HG GLU 27 0.480 -8.266 14.657 218 HG3 GLU 27 2HG GLU 27 0.565 -9.490 13.389 219 H LEU 28 H LEU 28 2.711 -5.331 11.270 220 HA LEU 28 HA LEU 28 2.443 -6.152 8.490 221 HB2 LEU 28 1HB LEU 28 2.218 -3.499 9.906 222 HB3 LEU 28 2HB LEU 28 2.414 -3.541 8.167 223 HG LEU 28 HG LEU 28 0.055 -3.331 8.697 224 HD11 LEU 28 1HD1 LEU 28 0.643 -6.119 7.643 225 HD12 LEU 28 2HD1 LEU 28 0.613 -4.624 6.701 226 HD13 LEU 28 3HD1 LEU 28 -0.867 -5.221 7.446 227 HD21 LEU 28 3HD2 LEU 28 -1.211 -5.041 9.925 228 HD22 LEU 28 1HD2 LEU 28 0.027 -4.304 10.943 229 HD23 LEU 28 2HD2 LEU 28 0.285 -5.917 10.270 230 H ASP 29 H ASP 29 4.025 -6.486 7.260 231 HA ASP 29 HA ASP 29 6.633 -5.141 7.445 232 HB2 ASP 29 1HB ASP 29 6.598 -7.319 8.786 233 HB3 ASP 29 2HB ASP 29 6.279 -8.180 7.291 234 H ASP 30 H ASP 30 7.967 -6.253 5.390 235 HA ASP 30 HA ASP 30 6.551 -5.190 3.143 236 HB2 ASP 30 1HB ASP 30 8.580 -5.335 1.923 237 HB3 ASP 30 2HB ASP 30 9.040 -4.916 3.566 238 H GLN 31 H GLN 31 7.230 -8.394 4.294 239 HA GLN 31 HA GLN 31 6.212 -9.638 1.800 240 HB2 GLN 31 1HB GLN 31 8.352 -10.534 3.764 241 HB3 GLN 31 2HB GLN 31 7.549 -11.706 2.724 242 HG2 GLN 31 1HG GLN 31 8.403 -10.695 0.744 243 HG3 GLN 31 2HG GLN 31 8.931 -9.253 1.605 244 HE21 GLN 31 1HE2 GLN 31 10.868 -9.268 2.662 245 HE22 GLN 31 2HE2 GLN 31 12.030 -10.548 2.527 246 H THR 32 H THR 32 5.134 -8.771 4.697 247 HA THR 32 HA THR 32 3.642 -10.893 5.711 248 HB THR 32 HB THR 32 3.010 -7.935 5.490 249 HG1 THR 32 HG1 THR 32 4.270 -9.554 7.438 250 HG21 THR 32 3HG2 THR 32 0.887 -9.122 5.921 251 HG22 THR 32 1HG2 THR 32 1.408 -8.252 7.366 252 HG23 THR 32 2HG2 THR 32 1.636 -9.998 7.258 253 HA PRO 33 HA PRO 33 0.695 -11.425 2.241 254 HB2 PRO 33 1HB PRO 33 -0.746 -13.487 3.273 255 HB3 PRO 33 2HB PRO 33 0.914 -13.721 2.684 256 HG2 PRO 33 1HG PRO 33 -0.052 -13.422 5.516 257 HG3 PRO 33 2HG PRO 33 1.167 -14.540 4.858 258 HD2 PRO 33 1HD PRO 33 1.801 -12.162 6.138 259 HD3 PRO 33 2HD PRO 33 2.855 -12.959 4.948 260 H LEU 34 H LEU 34 -0.309 -9.380 2.480 261 HA LEU 34 HA LEU 34 -1.932 -8.527 4.594 262 HB2 LEU 34 1HB LEU 34 -1.532 -7.600 1.748 263 HB3 LEU 34 2HB LEU 34 -2.771 -6.850 2.733 264 HG LEU 34 HG LEU 34 -1.031 -6.122 4.360 265 HD11 LEU 34 1HD1 LEU 34 0.661 -7.832 4.031 266 HD12 LEU 34 2HD1 LEU 34 1.337 -6.212 3.884 267 HD13 LEU 34 3HD1 LEU 34 1.021 -7.172 2.436 268 HD21 LEU 34 3HD2 LEU 34 -0.017 -4.358 2.980 269 HD22 LEU 34 1HD2 LEU 34 -1.729 -4.583 2.620 270 HD23 LEU 34 2HD2 LEU 34 -0.506 -5.237 1.525 271 H LEU 35 H LEU 35 -2.895 -9.897 1.414 272 HA LEU 35 HA LEU 35 -5.711 -9.653 1.912 273 HB2 LEU 35 1HB LEU 35 -4.184 -11.230 -0.175 274 HB3 LEU 35 2HB LEU 35 -5.942 -11.168 -0.113 275 HG LEU 35 HG LEU 35 -4.101 -8.794 -0.592 276 HD11 LEU 35 1HD1 LEU 35 -4.176 -10.318 -2.490 277 HD12 LEU 35 2HD1 LEU 35 -4.987 -8.799 -2.856 278 HD13 LEU 35 3HD1 LEU 35 -5.942 -10.243 -2.504 279 HD21 LEU 35 3HD2 LEU 35 -7.141 -8.889 -0.573 280 HD22 LEU 35 1HD2 LEU 35 -6.154 -7.508 -1.065 281 HD23 LEU 35 2HD2 LEU 35 -6.115 -8.065 0.607 282 H GLU 36 H GLU 36 -3.347 -12.210 2.492 283 HA GLU 36 HA GLU 36 -5.160 -14.360 2.972 284 HB2 GLU 36 1HB GLU 36 -2.685 -14.594 2.566 285 HB3 GLU 36 2HB GLU 36 -2.386 -13.915 4.160 286 HG2 GLU 36 1HG GLU 36 -2.155 -16.318 4.256 287 HG3 GLU 36 2HG GLU 36 -3.585 -15.841 5.179 288 H TRP 37 H TRP 37 -3.772 -11.823 4.976 289 HA TRP 37 HA TRP 37 -5.041 -12.558 7.441 290 HB2 TRP 37 1HB TRP 37 -3.693 -10.012 6.471 291 HB3 TRP 37 2HB TRP 37 -4.397 -10.150 8.080 292 HD1 TRP 37 HD1 TRP 37 -2.609 -13.281 6.874 293 HE1 TRP 37 HE1 TRP 37 -0.392 -13.518 8.140 294 HE3 TRP 37 HE3 TRP 37 -2.444 -8.675 9.133 295 HZ2 TRP 37 HZ2 TRP 37 1.205 -12.004 9.864 296 HZ3 TRP 37 HZ3 TRP 37 -0.511 -8.154 10.579 297 HH2 TRP 37 HH2 TRP 37 1.277 -9.796 10.932 298 H GLY 38 H GLY 38 -6.094 -10.897 4.590 299 HA2 GLY 38 1HA GLY 38 -8.167 -10.203 3.923 300 HA3 GLY 38 2HA GLY 38 -8.830 -10.855 5.413 301 H ILE 39 H ILE 39 -6.294 -8.472 5.357 302 HA ILE 39 HA ILE 39 -7.854 -6.708 7.054 303 HB ILE 39 HB ILE 39 -5.747 -5.457 7.362 304 HG12 ILE 39 1HG1 ILE 39 -4.571 -7.419 5.330 305 HG13 ILE 39 2HG1 ILE 39 -4.741 -5.683 5.122 306 HG21 ILE 39 1HG2 ILE 39 -6.201 -7.369 8.822 307 HG22 ILE 39 2HG2 ILE 39 -4.470 -7.236 8.524 308 HG23 ILE 39 3HG2 ILE 39 -5.415 -8.466 7.683 309 HD11 ILE 39 3HD1 ILE 39 -2.454 -6.282 5.581 310 HD12 ILE 39 1HD1 ILE 39 -2.926 -7.070 7.085 311 HD13 ILE 39 2HD1 ILE 39 -3.102 -5.322 6.908 312 H LEU 40 H LEU 40 -7.330 -6.945 3.702 313 HA LEU 40 HA LEU 40 -7.695 -4.032 3.258 314 HB2 LEU 40 1HB LEU 40 -6.644 -6.123 1.319 315 HB3 LEU 40 2HB LEU 40 -6.813 -4.405 0.986 316 HG LEU 40 HG LEU 40 -4.877 -5.681 2.959 317 HD11 LEU 40 1HD1 LEU 40 -4.373 -4.266 0.325 318 HD12 LEU 40 2HD1 LEU 40 -4.206 -5.997 0.651 319 HD13 LEU 40 3HD1 LEU 40 -3.140 -4.847 1.449 320 HD21 LEU 40 3HD2 LEU 40 -3.970 -3.410 3.320 321 HD22 LEU 40 1HD2 LEU 40 -5.643 -3.538 3.863 322 HD23 LEU 40 2HD2 LEU 40 -5.271 -2.726 2.338 323 H ASN 41 H ASN 41 -10.012 -4.448 3.773 324 HA ASN 41 HA ASN 41 -11.773 -5.510 1.779 325 HB2 ASN 41 1HB ASN 41 -12.451 -4.955 4.139 326 HB3 ASN 41 2HB ASN 41 -12.213 -3.248 3.801 327 HD21 ASN 41 1HD2 ASN 41 -14.260 -6.037 3.254 328 HD22 ASN 41 2HD2 ASN 41 -15.619 -5.168 2.629 329 H SER 42 H SER 42 -13.176 -3.989 0.361 330 HA SER 42 HA SER 42 -11.452 -2.373 -1.272 331 HB2 SER 42 2HB SER 42 -13.298 -3.732 -2.201 332 HB3 SER 42 1HB SER 42 -14.466 -2.706 -1.368 333 H MET 43 H MET 43 -14.000 -1.616 1.113 334 HA MET 43 HA MET 43 -13.828 1.226 0.794 335 HB2 MET 43 1HB MET 43 -14.880 -0.437 3.136 336 HB3 MET 43 2HB MET 43 -15.039 1.319 3.002 337 HG2 MET 43 1HG MET 43 -16.203 -0.707 1.075 338 HG3 MET 43 2HG MET 43 -17.102 0.214 2.291 339 HE1 MET 43 3HE MET 43 -18.450 0.609 -0.372 340 HE2 MET 43 1HE MET 43 -17.018 0.012 -1.224 341 HE3 MET 43 2HE MET 43 -17.659 1.613 -1.589 342 H ASN 44 H ASN 44 -11.845 -1.117 2.294 343 HA ASN 44 HA ASN 44 -10.414 0.706 4.059 344 HB2 ASN 44 1HB ASN 44 -10.842 -1.639 4.697 345 HB3 ASN 44 2HB ASN 44 -9.954 -2.205 3.298 346 HD21 ASN 44 1HD2 ASN 44 -7.693 -2.161 3.357 347 HD22 ASN 44 2HD2 ASN 44 -6.834 -1.942 4.836 348 H ILE 45 H ILE 45 -10.108 -0.709 0.828 349 HA ILE 45 HA ILE 45 -7.288 -0.423 0.485 350 HB ILE 45 HB ILE 45 -8.977 -1.956 -0.857 351 HG12 ILE 45 1HG1 ILE 45 -7.403 -1.876 -2.925 352 HG13 ILE 45 2HG1 ILE 45 -6.571 -0.576 -2.084 353 HG21 ILE 45 1HG2 ILE 45 -9.702 -1.141 -3.050 354 HG22 ILE 45 2HG2 ILE 45 -9.044 0.453 -2.699 355 HG23 ILE 45 3HG2 ILE 45 -10.405 -0.156 -1.768 356 HD11 ILE 45 3HD1 ILE 45 -6.924 -3.399 -1.115 357 HD12 ILE 45 1HD1 ILE 45 -6.095 -2.104 -0.238 358 HD13 ILE 45 2HD1 ILE 45 -5.462 -2.673 -1.779 359 H VAL 46 H VAL 46 -10.010 1.671 -0.083 360 HA VAL 46 HA VAL 46 -8.842 3.506 -1.890 361 HB VAL 46 HB VAL 46 -10.767 4.986 -1.359 362 HG11 VAL 46 1HG1 VAL 46 -12.568 3.444 -2.122 363 HG12 VAL 46 2HG1 VAL 46 -11.537 2.059 -1.747 364 HG13 VAL 46 3HG1 VAL 46 -11.066 3.190 -3.017 365 HG21 VAL 46 3HG2 VAL 46 -11.494 2.932 0.783 366 HG22 VAL 46 1HG2 VAL 46 -12.507 4.289 0.276 367 HG23 VAL 46 2HG2 VAL 46 -10.965 4.588 1.082 368 H LYS 47 H LYS 47 -8.793 3.291 1.649 369 HA LYS 47 HA LYS 47 -7.798 5.912 2.120 370 HB2 LYS 47 1HB LYS 47 -7.773 3.434 3.864 371 HB3 LYS 47 2HB LYS 47 -7.046 4.951 4.378 372 HG2 LYS 47 1HG LYS 47 -9.083 5.379 5.276 373 HG3 LYS 47 2HG LYS 47 -9.506 5.856 3.637 374 HD2 LYS 47 1HD LYS 47 -11.266 4.448 4.308 375 HD3 LYS 47 2HD LYS 47 -10.269 3.409 3.292 376 HE2 LYS 47 1HE LYS 47 -11.013 2.246 5.336 377 HE3 LYS 47 2HE LYS 47 -9.259 2.401 5.281 378 HZ1 LYS 47 3HZ LYS 47 -11.093 4.113 6.864 379 HZ2 LYS 47 1HZ LYS 47 -9.414 4.274 6.788 380 HZ3 LYS 47 2HZ LYS 47 -10.098 2.890 7.462 381 H LEU 48 H LEU 48 -6.225 2.788 1.440 382 HA LEU 48 HA LEU 48 -3.550 3.657 1.741 383 HB2 LEU 48 1HB LEU 48 -4.820 1.446 0.103 384 HB3 LEU 48 2HB LEU 48 -3.102 1.778 -0.042 385 HG LEU 48 HG LEU 48 -4.556 0.923 2.481 386 HD11 LEU 48 1HD1 LEU 48 -2.554 -0.618 0.801 387 HD12 LEU 48 2HD1 LEU 48 -4.292 -0.925 0.889 388 HD13 LEU 48 3HD1 LEU 48 -3.283 -1.155 2.318 389 HD21 LEU 48 3HD2 LEU 48 -2.341 0.829 3.559 390 HD22 LEU 48 1HD2 LEU 48 -2.745 2.470 3.055 391 HD23 LEU 48 2HD2 LEU 48 -1.599 1.514 2.112 392 H MET 49 H MET 49 -5.788 3.730 -1.043 393 HA MET 49 HA MET 49 -3.906 4.653 -2.938 394 HB2 MET 49 1HB MET 49 -6.939 4.739 -2.881 395 HB3 MET 49 2HB MET 49 -6.016 5.368 -4.244 396 HG2 MET 49 1HG MET 49 -4.951 3.080 -4.445 397 HG3 MET 49 2HG MET 49 -6.136 2.503 -3.273 398 HE1 MET 49 3HE MET 49 -8.528 1.823 -3.877 399 HE2 MET 49 1HE MET 49 -9.446 2.533 -5.210 400 HE3 MET 49 2HE MET 49 -8.895 3.556 -3.883 401 H VAL 50 H VAL 50 -6.036 6.440 -0.725 402 HA VAL 50 HA VAL 50 -5.418 9.047 -1.834 403 HB VAL 50 HB VAL 50 -6.681 10.038 -0.009 404 HG11 VAL 50 1HG1 VAL 50 -8.120 7.564 -1.043 405 HG12 VAL 50 2HG1 VAL 50 -8.001 9.120 -1.867 406 HG13 VAL 50 3HG1 VAL 50 -8.898 8.993 -0.352 407 HG21 VAL 50 3HG2 VAL 50 -6.806 7.278 1.272 408 HG22 VAL 50 1HG2 VAL 50 -7.662 8.708 1.857 409 HG23 VAL 50 2HG2 VAL 50 -5.896 8.655 1.882 410 H TYR 51 H TYR 51 -4.126 6.975 0.670 411 HA TYR 51 HA TYR 51 -2.460 8.816 2.030 412 HB2 TYR 51 1HB TYR 51 -3.008 6.557 2.884 413 HB3 TYR 51 2HB TYR 51 -2.127 5.823 1.563 414 HD1 TYR 51 HD1 TYR 51 -1.678 8.084 4.517 415 HD2 TYR 51 HD2 TYR 51 0.232 5.355 1.825 416 HE1 TYR 51 HE1 TYR 51 0.365 8.163 5.884 417 HE2 TYR 51 HE2 TYR 51 2.266 5.436 3.190 418 HH TYR 51 HH TYR 51 3.321 7.127 4.827 419 H ILE 52 H ILE 52 -1.682 6.436 -0.444 420 HA ILE 52 HA ILE 52 0.928 7.182 -1.072 421 HB ILE 52 HB ILE 52 -1.201 5.716 -2.677 422 HG12 ILE 52 1HG1 ILE 52 1.100 4.367 -1.232 423 HG13 ILE 52 2HG1 ILE 52 -0.316 4.863 -0.314 424 HG21 ILE 52 1HG2 ILE 52 0.546 6.448 -4.237 425 HG22 ILE 52 2HG2 ILE 52 0.600 4.697 -4.022 426 HG23 ILE 52 3HG2 ILE 52 1.787 5.722 -3.213 427 HD11 ILE 52 3HD1 ILE 52 -1.726 3.469 -1.687 428 HD12 ILE 52 1HD1 ILE 52 -0.416 2.536 -0.958 429 HD13 ILE 52 2HD1 ILE 52 -0.326 2.987 -2.662 430 H ARG 53 H ARG 53 -2.162 8.240 -2.391 431 HA ARG 53 HA ARG 53 -1.494 9.810 -4.564 432 HB2 ARG 53 1HB ARG 53 -3.795 9.316 -3.843 433 HB3 ARG 53 2HB ARG 53 -3.585 10.327 -2.423 434 HG2 ARG 53 1HG ARG 53 -3.202 12.259 -4.143 435 HG3 ARG 53 2HG ARG 53 -3.930 11.145 -5.308 436 HD2 ARG 53 1HD ARG 53 -5.642 12.636 -4.359 437 HD3 ARG 53 2HD ARG 53 -5.941 10.964 -3.860 438 HE ARG 53 HE ARG 53 -4.331 12.446 -1.980 439 HH11 ARG 53 1HH1 ARG 53 -7.662 11.743 -2.822 440 HH12 ARG 53 2HH1 ARG 53 -8.251 12.131 -1.235 441 HH21 ARG 53 1HH2 ARG 53 -5.098 12.935 0.036 442 HH22 ARG 53 2HH2 ARG 53 -6.803 12.804 0.389 443 H ASP 54 H ASP 54 -1.305 10.694 -1.117 444 HA ASP 54 HA ASP 54 -0.469 13.447 -1.697 445 HB2 ASP 54 1HB ASP 54 -0.961 12.057 0.968 446 HB3 ASP 54 2HB ASP 54 -0.673 13.780 0.745 447 H GLU 55 H GLU 55 0.704 10.638 0.119 448 HA GLU 55 HA GLU 55 3.114 11.826 1.036 449 HB2 GLU 55 1HB GLU 55 2.282 8.902 0.957 450 HB3 GLU 55 2HB GLU 55 3.579 9.577 1.945 451 HG2 GLU 55 1HG GLU 55 0.635 10.314 2.216 452 HG3 GLU 55 2HG GLU 55 1.468 9.110 3.199 453 H MET 56 H MET 56 2.500 9.206 -1.331 454 HA MET 56 HA MET 56 5.229 9.294 -2.317 455 HB2 MET 56 1HB MET 56 2.831 7.674 -3.248 456 HB3 MET 56 2HB MET 56 4.446 7.536 -3.935 457 HG2 MET 56 1HG MET 56 4.138 5.743 -2.423 458 HG3 MET 56 2HG MET 56 5.255 6.885 -1.662 459 HE1 MET 56 3HE MET 56 3.676 6.227 1.628 460 HE2 MET 56 1HE MET 56 5.068 6.842 0.733 461 HE3 MET 56 2HE MET 56 4.480 5.198 0.438 462 H GLY 57 H GLY 57 2.164 10.713 -3.077 463 HA2 GLY 57 1HA GLY 57 1.476 12.223 -4.676 464 HA3 GLY 57 2HA GLY 57 3.129 12.303 -5.282 465 H VAL 58 H VAL 58 1.142 9.399 -4.945 466 HA VAL 58 HA VAL 58 1.193 8.957 -7.881 467 HB VAL 58 HB VAL 58 1.749 6.870 -5.724 468 HG11 VAL 58 1HG1 VAL 58 0.599 5.863 -7.661 469 HG12 VAL 58 2HG1 VAL 58 2.274 5.315 -7.588 470 HG13 VAL 58 3HG1 VAL 58 1.804 6.552 -8.755 471 HG21 VAL 58 3HG2 VAL 58 4.060 6.779 -6.599 472 HG22 VAL 58 1HG2 VAL 58 3.668 8.371 -5.941 473 HG23 VAL 58 2HG2 VAL 58 3.699 8.119 -7.688 474 H SER 59 H SER 59 -0.843 8.673 -8.600 475 HA SER 59 HA SER 59 -3.016 7.879 -6.796 476 HB2 SER 59 1HB SER 59 -3.376 9.852 -8.264 477 HB3 SER 59 2HB SER 59 -3.126 8.846 -9.692 478 HG SER 59 HG SER 59 -5.169 8.396 -9.554 479 H ILE 60 H ILE 60 -3.827 5.832 -6.804 480 HA ILE 60 HA ILE 60 -2.918 3.888 -8.817 481 HB ILE 60 HB ILE 60 -4.177 3.530 -6.073 482 HG12 ILE 60 1HG1 ILE 60 -1.374 2.860 -7.083 483 HG13 ILE 60 2HG1 ILE 60 -1.782 4.220 -6.044 484 HG21 ILE 60 1HG2 ILE 60 -5.012 1.730 -7.496 485 HG22 ILE 60 2HG2 ILE 60 -3.839 1.089 -6.345 486 HG23 ILE 60 3HG2 ILE 60 -3.367 1.349 -8.026 487 HD11 ILE 60 3HD1 ILE 60 -2.436 2.623 -4.267 488 HD12 ILE 60 1HD1 ILE 60 -0.752 2.445 -4.767 489 HD13 ILE 60 2HD1 ILE 60 -1.961 1.288 -5.321 490 HA PRO 61 HA PRO 61 -7.171 4.095 -10.456 491 HB2 PRO 61 1HB PRO 61 -6.829 2.345 -12.537 492 HB3 PRO 61 2HB PRO 61 -6.233 4.018 -12.585 493 HG2 PRO 61 1HG PRO 61 -4.701 1.501 -11.975 494 HG3 PRO 61 2HG PRO 61 -4.242 2.875 -13.008 495 HD2 PRO 61 1HD PRO 61 -3.329 2.596 -10.452 496 HD3 PRO 61 2HD PRO 61 -3.585 4.186 -11.209 497 H SER 62 H SER 62 -8.978 2.673 -10.631 498 HA SER 62 HA SER 62 -9.111 0.760 -8.527 499 HB2 SER 62 1HB SER 62 -11.517 0.501 -9.308 500 HB3 SER 62 2HB SER 62 -11.029 2.151 -8.931 501 HG SER 62 HG SER 62 -11.441 2.685 -10.893 502 H THR 63 H THR 63 -8.592 0.474 -11.969 503 HA THR 63 HA THR 63 -9.133 -2.289 -12.268 504 HB THR 63 HB THR 63 -8.889 -0.807 -14.234 505 HG1 THR 63 HG1 THR 63 -7.917 -3.238 -14.005 506 HG21 THR 63 3HG2 THR 63 -6.675 -0.098 -15.060 507 HG22 THR 63 1HG2 THR 63 -5.919 -0.718 -13.592 508 HG23 THR 63 2HG2 THR 63 -7.034 0.650 -13.500 509 H HIS 64 H HIS 64 -6.366 -0.521 -11.000 510 HA HIS 64 HA HIS 64 -4.558 -2.786 -10.944 511 HB2 HIS 64 1HB HIS 64 -4.421 0.095 -10.054 512 HB3 HIS 64 2HB HIS 64 -3.247 -1.046 -9.396 513 HD1 HIS 64 HD1 HIS 64 -4.241 -1.642 -12.936 514 HD2 HIS 64 HD2 HIS 64 -1.238 0.356 -10.872 515 HE1 HIS 64 HE1 HIS 64 -2.429 -1.219 -14.618 516 HE2 HIS 64 HE2 HIS 64 -0.571 -0.146 -13.305 517 H ILE 65 H ILE 65 -7.142 -1.720 -8.966 518 HA ILE 65 HA ILE 65 -6.225 -2.852 -6.474 519 HB ILE 65 HB ILE 65 -9.113 -2.327 -7.307 520 HG12 ILE 65 1HG1 ILE 65 -7.882 -0.230 -7.512 521 HG13 ILE 65 2HG1 ILE 65 -8.877 -0.145 -6.066 522 HG21 ILE 65 1HG2 ILE 65 -9.575 -2.241 -4.868 523 HG22 ILE 65 2HG2 ILE 65 -7.891 -2.649 -4.535 524 HG23 ILE 65 3HG2 ILE 65 -8.934 -3.815 -5.355 525 HD11 ILE 65 3HD1 ILE 65 -6.908 -0.536 -4.685 526 HD12 ILE 65 1HD1 ILE 65 -6.682 0.841 -5.759 527 HD13 ILE 65 2HD1 ILE 65 -5.912 -0.692 -6.134 528 H THR 66 H THR 66 -5.462 -4.843 -6.995 529 HA THR 66 HA THR 66 -7.383 -6.970 -7.513 530 HB THR 66 HB THR 66 -6.625 -6.431 -9.783 531 HG1 THR 66 HG1 THR 66 -6.772 -8.539 -9.949 532 HG21 THR 66 3HG2 THR 66 -4.445 -5.389 -9.268 533 HG22 THR 66 1HG2 THR 66 -4.266 -6.681 -10.462 534 HG23 THR 66 2HG2 THR 66 -3.803 -6.960 -8.780 535 H GLY 67 H GLY 67 -6.442 -9.098 -7.158 536 HA2 GLY 67 1HA GLY 67 -5.082 -9.179 -4.675 537 HA3 GLY 67 2HA GLY 67 -5.515 -10.557 -5.663 538 H LYS 68 H LYS 68 -3.976 -9.414 -7.973 539 HA LYS 68 HA LYS 68 -1.466 -10.684 -7.525 540 HB2 LYS 68 1HB LYS 68 -2.248 -8.791 -9.791 541 HB3 LYS 68 2HB LYS 68 -0.927 -9.955 -9.814 542 HG2 LYS 68 1HG LYS 68 -2.518 -11.818 -9.729 543 HG3 LYS 68 2HG LYS 68 -3.872 -10.695 -9.602 544 HD2 LYS 68 1HD LYS 68 -3.743 -11.505 -11.884 545 HD3 LYS 68 2HD LYS 68 -3.276 -9.802 -11.878 546 HE2 LYS 68 1HE LYS 68 -0.894 -10.463 -11.982 547 HE3 LYS 68 2HE LYS 68 -1.356 -12.164 -11.954 548 HZ1 LYS 68 3HZ LYS 68 -2.046 -10.205 -14.046 549 HZ2 LYS 68 1HZ LYS 68 -2.509 -11.824 -14.043 550 HZ3 LYS 68 2HZ LYS 68 -0.879 -11.410 -14.169 551 H TYR 69 H TYR 69 -2.558 -7.478 -7.007 552 HA TYR 69 HA TYR 69 0.136 -6.292 -6.879 553 HB2 TYR 69 1HB TYR 69 -2.614 -5.032 -7.159 554 HB3 TYR 69 2HB TYR 69 -1.185 -4.082 -6.766 555 HD1 TYR 69 HD2 TYR 69 -1.134 -6.921 -9.219 556 HD2 TYR 69 HD1 TYR 69 -1.259 -2.683 -8.744 557 HE1 TYR 69 HE2 TYR 69 -0.672 -6.650 -11.602 558 HE2 TYR 69 HE1 TYR 69 -0.795 -2.416 -11.143 559 HH TYR 69 HH TYR 69 -0.980 -4.971 -13.368 560 H PHE 70 H PHE 70 -2.905 -6.467 -4.946 561 HA PHE 70 HA PHE 70 -1.523 -5.178 -2.680 562 HB2 PHE 70 1HB PHE 70 -4.469 -5.597 -3.308 563 HB3 PHE 70 2HB PHE 70 -3.899 -4.925 -1.777 564 HD1 PHE 70 HD2 PHE 70 -2.801 -2.702 -1.695 565 HD2 PHE 70 HD1 PHE 70 -4.326 -4.274 -5.376 566 HE1 PHE 70 HE2 PHE 70 -2.606 -0.483 -2.729 567 HE2 PHE 70 HE1 PHE 70 -4.111 -2.049 -6.395 568 HZ PHE 70 HZ PHE 70 -3.256 -0.158 -5.078 569 H LYS 71 H LYS 71 -1.374 -8.083 -3.522 570 HA LYS 71 HA LYS 71 -2.319 -9.740 -1.444 571 HB2 LYS 71 1HB LYS 71 -0.513 -11.316 -2.293 572 HB3 LYS 71 2HB LYS 71 -1.648 -10.738 -3.507 573 HG2 LYS 71 1HG LYS 71 0.123 -8.947 -4.088 574 HG3 LYS 71 2HG LYS 71 1.243 -9.903 -3.115 575 HD2 LYS 71 1HD LYS 71 -0.211 -10.751 -5.640 576 HD3 LYS 71 2HD LYS 71 1.525 -10.502 -5.438 577 HE2 LYS 71 1HE LYS 71 -0.142 -12.676 -4.149 578 HE3 LYS 71 2HE LYS 71 0.995 -12.878 -5.484 579 HZ1 LYS 71 3HZ LYS 71 1.694 -12.008 -2.729 580 HZ2 LYS 71 1HZ LYS 71 2.786 -12.173 -4.005 581 HZ3 LYS 71 2HZ LYS 71 1.997 -13.530 -3.391 582 H ASP 72 H ASP 72 0.709 -7.945 -1.875 583 HA ASP 72 HA ASP 72 1.214 -7.911 0.976 584 HB2 ASP 72 1HB ASP 72 3.536 -8.840 0.775 585 HB3 ASP 72 2HB ASP 72 2.302 -10.043 0.415 586 H LEU 73 H LEU 73 3.346 -6.687 1.315 587 HA LEU 73 HA LEU 73 2.820 -4.096 0.257 588 HB2 LEU 73 1HB LEU 73 3.483 -4.591 2.598 589 HB3 LEU 73 2HB LEU 73 5.062 -5.102 2.032 590 HG LEU 73 HG LEU 73 5.454 -2.751 1.184 591 HD11 LEU 73 1HD1 LEU 73 2.905 -2.113 2.694 592 HD12 LEU 73 2HD1 LEU 73 3.144 -2.035 0.946 593 HD13 LEU 73 3HD1 LEU 73 4.027 -0.934 2.002 594 HD21 LEU 73 3HD2 LEU 73 4.991 -3.086 4.163 595 HD22 LEU 73 1HD2 LEU 73 5.909 -1.780 3.414 596 HD23 LEU 73 2HD2 LEU 73 6.469 -3.437 3.264 597 H ASN 74 H ASN 74 5.269 -6.559 -0.556 598 HA ASN 74 HA ASN 74 7.072 -4.912 -2.029 599 HB2 ASN 74 1HB ASN 74 6.432 -7.882 -2.165 600 HB3 ASN 74 2HB ASN 74 7.520 -7.157 -3.337 601 HD21 ASN 74 1HD2 ASN 74 7.084 -8.009 0.024 602 HD22 ASN 74 2HD2 ASN 74 8.751 -7.853 0.469 603 H ALA 75 H ALA 75 4.241 -6.821 -3.003 604 HA ALA 75 HA ALA 75 4.305 -6.132 -5.774 605 HB1 ALA 75 3HB ALA 75 2.060 -7.307 -4.120 606 HB2 ALA 75 1HB ALA 75 3.336 -8.231 -4.920 607 HB3 ALA 75 2HB ALA 75 2.168 -7.317 -5.883 608 H ILE 76 H ILE 76 2.680 -4.733 -2.935 609 HA ILE 76 HA ILE 76 1.040 -2.842 -4.303 610 HB ILE 76 HB ILE 76 2.273 -2.704 -1.518 611 HG12 ILE 76 1HG1 ILE 76 -0.523 -3.464 -2.447 612 HG13 ILE 76 2HG1 ILE 76 0.688 -4.556 -1.786 613 HG21 ILE 76 1HG2 ILE 76 0.109 -0.867 -2.631 614 HG22 ILE 76 2HG2 ILE 76 1.764 -0.395 -2.233 615 HG23 ILE 76 3HG2 ILE 76 0.666 -0.912 -0.955 616 HD11 ILE 76 3HD1 ILE 76 -1.017 -4.054 -0.157 617 HD12 ILE 76 1HD1 ILE 76 -0.699 -2.327 -0.304 618 HD13 ILE 76 2HD1 ILE 76 0.533 -3.400 0.368 619 H SER 77 H SER 77 4.347 -2.635 -2.996 620 HA SER 77 HA SER 77 4.630 0.163 -3.546 621 HB2 SER 77 1HB SER 77 7.008 -0.177 -2.878 622 HB3 SER 77 2HB SER 77 5.884 -0.862 -1.704 623 HG SER 77 HG SER 77 6.495 -2.828 -2.223 624 H ARG 78 H ARG 78 5.346 -2.805 -5.294 625 HA ARG 78 HA ARG 78 7.211 -1.805 -7.155 626 HB2 ARG 78 1HB ARG 78 7.052 -3.849 -8.300 627 HB3 ARG 78 2HB ARG 78 6.540 -4.308 -6.681 628 HG2 ARG 78 1HG ARG 78 4.185 -4.217 -7.400 629 HG3 ARG 78 2HG ARG 78 4.686 -3.732 -9.013 630 HD2 ARG 78 1HD ARG 78 5.911 -5.929 -9.203 631 HD3 ARG 78 2HD ARG 78 5.170 -6.398 -7.660 632 HE ARG 78 HE ARG 78 3.417 -5.507 -9.844 633 HH11 ARG 78 1HH1 ARG 78 4.534 -8.198 -7.907 634 HH12 ARG 78 2HH1 ARG 78 3.248 -9.244 -8.420 635 HH21 ARG 78 1HH2 ARG 78 1.790 -6.897 -10.554 636 HH22 ARG 78 2HH2 ARG 78 1.697 -8.511 -9.919 637 H THR 79 H THR 79 3.650 -1.890 -7.146 638 HA THR 79 HA THR 79 3.422 -0.830 -9.812 639 HB THR 79 HB THR 79 1.637 -2.316 -8.735 640 HG1 THR 79 HG1 THR 79 1.333 -0.985 -10.648 641 HG21 THR 79 3HG2 THR 79 0.818 0.282 -7.378 642 HG22 THR 79 1HG2 THR 79 1.345 -1.201 -6.567 643 HG23 THR 79 2HG2 THR 79 -0.165 -1.181 -7.470 644 H VAL 80 H VAL 80 3.622 0.472 -6.537 645 HA VAL 80 HA VAL 80 2.824 3.142 -7.177 646 HB VAL 80 HB VAL 80 4.597 2.099 -4.927 647 HG11 VAL 80 1HG1 VAL 80 3.418 4.893 -5.215 648 HG12 VAL 80 2HG1 VAL 80 5.132 4.471 -5.280 649 HG13 VAL 80 3HG1 VAL 80 4.233 4.273 -3.773 650 HG21 VAL 80 3HG2 VAL 80 2.592 2.367 -3.494 651 HG22 VAL 80 1HG2 VAL 80 2.282 1.254 -4.830 652 HG23 VAL 80 2HG2 VAL 80 1.661 2.903 -4.894 653 H GLU 81 H GLU 81 5.884 1.366 -7.397 654 HA GLU 81 HA GLU 81 7.549 3.618 -8.006 655 HB2 GLU 81 1HB GLU 81 8.038 0.672 -8.625 656 HB3 GLU 81 2HB GLU 81 9.246 1.952 -8.677 657 HG2 GLU 81 1HG GLU 81 7.913 0.738 -6.248 658 HG3 GLU 81 2HG GLU 81 9.617 0.783 -6.652 659 H GLN 82 H GLN 82 5.866 1.170 -9.944 660 HA GLN 82 HA GLN 82 6.798 2.034 -12.496 661 HB2 GLN 82 1HB GLN 82 5.902 -0.233 -12.174 662 HB3 GLN 82 2HB GLN 82 4.316 0.416 -11.765 663 HG2 GLN 82 1HG GLN 82 4.346 -0.451 -14.057 664 HG3 GLN 82 2HG GLN 82 4.064 1.290 -14.051 665 HE21 GLN 82 1HE2 GLN 82 4.820 1.750 -16.075 666 HE22 GLN 82 2HE2 GLN 82 6.456 1.516 -16.596 667 H LEU 83 H LEU 83 3.877 2.701 -10.649 668 HA LEU 83 HA LEU 83 2.642 4.379 -12.599 669 HB2 LEU 83 1HB LEU 83 2.091 3.652 -9.742 670 HB3 LEU 83 2HB LEU 83 1.324 5.092 -10.361 671 HG LEU 83 HG LEU 83 0.035 3.873 -11.963 672 HD11 LEU 83 1HD1 LEU 83 1.593 1.361 -11.281 673 HD12 LEU 83 2HD1 LEU 83 1.688 2.279 -12.786 674 HD13 LEU 83 3HD1 LEU 83 0.190 1.459 -12.354 675 HD21 LEU 83 3HD2 LEU 83 -1.284 2.365 -10.521 676 HD22 LEU 83 1HD2 LEU 83 -0.843 3.851 -9.678 677 HD23 LEU 83 2HD2 LEU 83 0.023 2.350 -9.333 678 H LYS 84 H LYS 84 4.857 4.985 -9.881 679 HA LYS 84 HA LYS 84 4.690 7.839 -9.921 680 HB2 LYS 84 1HB LYS 84 5.627 6.665 -7.970 681 HB3 LYS 84 2HB LYS 84 6.929 6.004 -8.948 682 HG2 LYS 84 1HG LYS 84 7.957 8.153 -9.186 683 HG3 LYS 84 2HG LYS 84 6.542 8.972 -8.537 684 HD2 LYS 84 1HD LYS 84 8.481 8.873 -6.965 685 HD3 LYS 84 2HD LYS 84 6.990 8.191 -6.320 686 HE2 LYS 84 1HE LYS 84 9.041 6.370 -7.587 687 HE3 LYS 84 2HE LYS 84 9.278 6.945 -5.936 688 HZ1 LYS 84 3HZ LYS 84 7.004 5.343 -6.957 689 HZ2 LYS 84 1HZ LYS 84 7.084 5.985 -5.396 690 HZ3 LYS 84 2HZ LYS 84 8.215 4.838 -5.899 691 H ALA 85 H ALA 85 6.640 5.427 -11.620 692 HA ALA 85 HA ALA 85 8.494 7.114 -12.900 693 HB1 ALA 85 3HB ALA 85 8.871 5.209 -14.431 694 HB2 ALA 85 1HB ALA 85 7.392 4.435 -13.848 695 HB3 ALA 85 2HB ALA 85 8.765 4.657 -12.759 696 H GLU 86 H GLU 86 5.321 5.889 -13.902 697 HA GLU 86 HA GLU 86 5.147 7.223 -16.405 698 HB2 GLU 86 1HB GLU 86 2.934 6.112 -14.617 699 HB3 GLU 86 2HB GLU 86 2.732 6.598 -16.300 700 HG2 GLU 86 1HG GLU 86 4.466 4.318 -15.290 701 HG3 GLU 86 2HG GLU 86 2.920 4.164 -16.124 702 H SER 87 H SER 87 4.020 8.030 -13.137 703 HA SER 87 HA SER 87 2.503 10.356 -13.857 704 HB2 SER 87 1HB SER 87 3.458 9.334 -11.144 705 HB3 SER 87 2HB SER 87 2.354 10.698 -11.360 706 HG SER 87 HG SER 87 0.798 9.363 -12.053 707 H ALA 88 H ALA 88 5.866 9.795 -13.166 708 HA ALA 88 HA ALA 88 6.616 12.401 -12.296 709 HB1 ALA 88 3HB ALA 88 8.917 11.678 -12.837 710 HB2 ALA 88 1HB ALA 88 8.273 10.263 -13.682 711 HB3 ALA 88 2HB ALA 88 8.050 10.428 -11.940 712 H LEU 89 H LEU 89 6.493 10.772 -15.453 713 HA LEU 89 HA LEU 89 7.276 13.155 -16.918 714 HB2 LEU 89 1HB LEU 89 6.532 10.344 -17.809 715 HB3 LEU 89 2HB LEU 89 6.846 11.638 -18.949 716 HG LEU 89 HG LEU 89 8.839 10.312 -18.804 717 HD11 LEU 89 1HD1 LEU 89 9.208 12.720 -18.961 718 HD12 LEU 89 2HD1 LEU 89 10.521 11.906 -18.117 719 HD13 LEU 89 3HD1 LEU 89 9.324 12.827 -17.201 720 HD21 LEU 89 3HD2 LEU 89 8.457 9.178 -16.683 721 HD22 LEU 89 1HD2 LEU 89 8.805 10.663 -15.797 722 HD23 LEU 89 2HD2 LEU 89 10.078 9.869 -16.733 723 H GLU 90 H GLU 90 4.318 11.572 -15.960 724 HA GLU 90 HA GLU 90 2.712 13.382 -17.687 725 HB2 GLU 90 1HB GLU 90 2.291 10.936 -18.031 726 HB3 GLU 90 2HB GLU 90 1.892 10.772 -16.324 727 HG2 GLU 90 1HG GLU 90 -0.152 10.838 -17.642 728 HG3 GLU 90 2HG GLU 90 -0.044 12.278 -16.630 729 H282 PNS 101 2H28 PNS 142 -13.958 -2.195 -6.754 730 H281 PNS 101 3H28 PNS 142 -12.460 -2.315 -5.846 731 H303 PNS 101 2H51 PNS 142 -15.029 -4.285 -7.734 732 H302 PNS 101 3H51 PNS 142 -14.943 -5.076 -6.163 733 H301 PNS 101 1H51 PNS 142 -14.196 -5.844 -7.583 734 H313 PNS 101 2H52 PNS 142 -12.765 -5.150 -4.899 735 H312 PNS 101 3H52 PNS 142 -12.002 -5.950 -6.272 736 H311 PNS 101 1H52 PNS 142 -11.294 -4.462 -5.619 737 H32 PNS 101 H32 PNS 142 -12.897 -3.209 -8.722 738 H33 PNS 101 H33 PNS 142 -10.613 -3.157 -8.661 739 H36 PNS 101 H36 PNS 142 -10.472 -5.589 -7.890 740 H372 PNS 101 2H37 PNS 142 -10.424 -7.126 -10.169 741 H371 PNS 101 3H37 PNS 142 -11.615 -7.910 -9.125 742 H382 PNS 101 2H38 PNS 142 -8.713 -7.345 -8.473 743 H381 PNS 101 3H38 PNS 142 -9.426 -8.918 -8.791 744 H41 PNS 101 H41 PNS 142 -9.017 -6.351 -6.492 745 H422 PNS 101 2H42 PNS 142 -10.552 -6.477 -4.409 746 H421 PNS 101 3H42 PNS 142 -9.776 -8.054 -4.213 747 H431 PNS 101 2H43 PNS 142 -7.562 -6.932 -4.074 748 H432 PNS 101 3H43 PNS 142 -8.356 -5.360 -4.261 749 H44 PNS 101 H44 PNS 142 -7.709 -5.682 -1.550 Start of MODEL 18 1 H1 MET 1 1H MET 1 15.745 6.689 -5.498 2 H2 MET 1 2H MET 1 14.561 7.463 -4.575 3 H3 MET 1 3H MET 1 14.370 7.328 -6.248 4 HA MET 1 HA MET 1 12.968 5.778 -5.118 5 HB2 MET 1 1HB MET 1 13.909 5.152 -7.326 6 HB3 MET 1 2HB MET 1 15.316 4.446 -6.544 7 HG2 MET 1 1HG MET 1 13.821 2.770 -5.458 8 HG3 MET 1 2HG MET 1 12.459 3.437 -6.360 9 HE1 MET 1 3HE MET 1 13.635 2.660 -10.082 10 HE2 MET 1 1HE MET 1 13.940 4.137 -9.164 11 HE3 MET 1 2HE MET 1 12.354 3.365 -9.105 12 H ASP 2 H ASP 2 12.975 5.674 -2.913 13 HA ASP 2 HA ASP 2 15.095 4.306 -1.451 14 HB2 ASP 2 1HB ASP 2 13.636 4.787 0.555 15 HB3 ASP 2 2HB ASP 2 14.133 6.214 -0.341 16 H GLY 3 H GLY 3 11.590 3.795 -2.033 17 HA2 GLY 3 1HA GLY 3 10.419 1.870 -2.497 18 HA3 GLY 3 2HA GLY 3 11.887 0.925 -2.307 19 H GLU 4 H GLU 4 12.700 1.400 0.219 20 HA GLU 4 HA GLU 4 10.968 -0.335 1.689 21 HB2 GLU 4 1HB GLU 4 13.374 1.098 2.870 22 HB3 GLU 4 2HB GLU 4 12.721 -0.475 3.304 23 HG2 GLU 4 1HG GLU 4 14.249 0.244 0.794 24 HG3 GLU 4 2HG GLU 4 14.809 -0.765 2.123 25 H GLU 5 H GLU 5 11.789 3.080 1.876 26 HA GLU 5 HA GLU 5 10.459 3.587 4.378 27 HB2 GLU 5 1HB GLU 5 12.414 4.920 3.207 28 HB3 GLU 5 2HB GLU 5 11.133 5.738 2.338 29 HG2 GLU 5 1HG GLU 5 11.105 5.664 5.351 30 HG3 GLU 5 2HG GLU 5 12.163 6.788 4.514 31 H VAL 6 H VAL 6 9.646 3.979 0.943 32 HA VAL 6 HA VAL 6 7.033 4.942 1.012 33 HB VAL 6 HB VAL 6 8.437 2.969 -0.835 34 HG11 VAL 6 1HG1 VAL 6 5.565 3.897 -1.213 35 HG12 VAL 6 2HG1 VAL 6 6.109 2.242 -0.953 36 HG13 VAL 6 3HG1 VAL 6 6.529 3.082 -2.446 37 HG21 VAL 6 3HG2 VAL 6 9.137 5.319 -0.971 38 HG22 VAL 6 1HG2 VAL 6 7.474 5.814 -1.296 39 HG23 VAL 6 2HG2 VAL 6 8.345 4.821 -2.466 40 H LYS 7 H LYS 7 8.122 1.559 1.200 41 HA LYS 7 HA LYS 7 5.581 0.393 1.532 42 HB2 LYS 7 1HB LYS 7 8.365 -0.568 2.292 43 HB3 LYS 7 2HB LYS 7 6.934 -1.574 2.502 44 HG2 LYS 7 1HG LYS 7 6.487 -1.397 0.055 45 HG3 LYS 7 2HG LYS 7 7.969 -0.464 -0.135 46 HD2 LYS 7 1HD LYS 7 7.798 -3.342 0.846 47 HD3 LYS 7 2HD LYS 7 8.268 -2.842 -0.777 48 HE2 LYS 7 1HE LYS 7 10.246 -1.696 0.128 49 HE3 LYS 7 2HE LYS 7 9.767 -2.137 1.768 50 HZ1 LYS 7 3HZ LYS 7 10.484 -4.039 -0.389 51 HZ2 LYS 7 1HZ LYS 7 10.045 -4.451 1.190 52 HZ3 LYS 7 2HZ LYS 7 11.470 -3.589 0.910 53 H GLU 8 H GLU 8 7.971 1.433 3.948 54 HA GLU 8 HA GLU 8 6.623 0.458 6.200 55 HB2 GLU 8 1HB GLU 8 8.945 0.831 6.415 56 HB3 GLU 8 2HB GLU 8 8.861 2.461 5.753 57 HG2 GLU 8 1HG GLU 8 7.996 3.354 7.750 58 HG3 GLU 8 2HG GLU 8 7.569 1.769 8.384 59 H LYS 9 H LYS 9 6.441 3.578 4.520 60 HA LYS 9 HA LYS 9 4.785 5.097 6.148 61 HB2 LYS 9 1HB LYS 9 4.796 4.727 3.135 62 HB3 LYS 9 2HB LYS 9 3.759 5.904 3.917 63 HG2 LYS 9 1HG LYS 9 5.689 7.127 4.744 64 HG3 LYS 9 2HG LYS 9 6.780 5.905 4.077 65 HD2 LYS 9 1HD LYS 9 5.857 6.420 1.785 66 HD3 LYS 9 2HD LYS 9 4.913 7.725 2.510 67 HE2 LYS 9 1HE LYS 9 7.927 7.506 2.424 68 HE3 LYS 9 2HE LYS 9 6.928 8.632 1.501 69 HZ1 LYS 9 3HZ LYS 9 7.552 8.622 4.379 70 HZ2 LYS 9 1HZ LYS 9 6.158 9.410 3.812 71 HZ3 LYS 9 2HZ LYS 9 7.679 9.887 3.258 72 H ILE 10 H ILE 10 3.884 2.735 3.665 73 HA ILE 10 HA ILE 10 1.077 3.015 3.962 74 HB ILE 10 HB ILE 10 2.612 0.729 2.652 75 HG12 ILE 10 1HG1 ILE 10 1.626 3.281 1.290 76 HG13 ILE 10 2HG1 ILE 10 3.270 3.096 1.891 77 HG21 ILE 10 1HG2 ILE 10 -0.211 1.751 2.123 78 HG22 ILE 10 2HG2 ILE 10 0.200 0.240 2.937 79 HG23 ILE 10 3HG2 ILE 10 0.597 0.458 1.232 80 HD11 ILE 10 3HD1 ILE 10 3.608 1.214 0.351 81 HD12 ILE 10 1HD1 ILE 10 3.186 2.718 -0.469 82 HD13 ILE 10 2HD1 ILE 10 1.971 1.454 -0.275 83 H ARG 11 H ARG 11 3.395 0.506 5.070 84 HA ARG 11 HA ARG 11 1.460 -1.259 6.155 85 HB2 ARG 11 1HB ARG 11 3.242 -2.600 6.957 86 HB3 ARG 11 2HB ARG 11 3.812 -1.874 5.487 87 HG2 ARG 11 1HG ARG 11 5.707 -1.612 6.672 88 HG3 ARG 11 2HG ARG 11 4.906 -0.122 7.157 89 HD2 ARG 11 1HD ARG 11 4.779 -0.786 9.328 90 HD3 ARG 11 2HD ARG 11 4.180 -2.378 8.888 91 HE ARG 11 HE ARG 11 6.296 -3.231 9.008 92 HH11 ARG 11 1HH1 ARG 11 6.573 0.247 9.135 93 HH12 ARG 11 2HH1 ARG 11 8.247 0.214 9.572 94 HH21 ARG 11 1HH2 ARG 11 8.484 -3.258 9.562 95 HH22 ARG 11 2HH2 ARG 11 9.331 -1.768 9.816 96 H ARG 12 H ARG 12 3.214 1.476 7.465 97 HA ARG 12 HA ARG 12 2.466 1.089 10.173 98 HB2 ARG 12 1HB ARG 12 3.935 3.103 8.649 99 HB3 ARG 12 2HB ARG 12 2.817 3.913 9.723 100 HG2 ARG 12 1HG ARG 12 5.211 3.509 10.556 101 HG3 ARG 12 2HG ARG 12 3.889 3.108 11.652 102 HD2 ARG 12 1HD ARG 12 4.122 0.740 11.147 103 HD3 ARG 12 2HD ARG 12 5.322 1.090 9.894 104 HE ARG 12 HE ARG 12 6.464 2.162 12.074 105 HH11 ARG 12 1HH1 ARG 12 5.058 -1.043 11.593 106 HH12 ARG 12 2HH1 ARG 12 6.145 -1.809 12.706 107 HH21 ARG 12 1HH2 ARG 12 7.924 1.118 13.444 108 HH22 ARG 12 2HH2 ARG 12 7.769 -0.583 13.752 109 H TYR 13 H TYR 13 1.062 2.892 7.458 110 HA TYR 13 HA TYR 13 -1.084 4.089 8.871 111 HB2 TYR 13 1HB TYR 13 -0.265 4.832 6.638 112 HB3 TYR 13 2HB TYR 13 -0.898 3.348 5.920 113 HD1 TYR 13 HD1 TYR 13 -2.250 6.013 8.248 114 HD2 TYR 13 HD2 TYR 13 -2.860 3.730 4.684 115 HE1 TYR 13 HE1 TYR 13 -4.383 7.159 7.864 116 HE2 TYR 13 HE2 TYR 13 -4.989 4.877 4.317 117 HH TYR 13 HH TYR 13 -6.688 6.057 5.639 118 H ILE 14 H ILE 14 -0.681 0.900 7.419 119 HA ILE 14 HA ILE 14 -3.372 0.008 7.617 120 HB ILE 14 HB ILE 14 -0.797 -1.630 7.670 121 HG12 ILE 14 1HG1 ILE 14 -2.611 -1.169 5.262 122 HG13 ILE 14 2HG1 ILE 14 -1.259 -0.106 5.618 123 HG21 ILE 14 1HG2 ILE 14 -2.183 -3.549 6.927 124 HG22 ILE 14 2HG2 ILE 14 -3.639 -2.563 7.081 125 HG23 ILE 14 3HG2 ILE 14 -2.693 -2.969 8.515 126 HD11 ILE 14 3HD1 ILE 14 0.269 -1.997 5.435 127 HD12 ILE 14 1HD1 ILE 14 -0.646 -1.709 3.953 128 HD13 ILE 14 2HD1 ILE 14 -1.093 -3.048 5.013 129 H MET 15 H MET 15 -0.681 0.152 9.885 130 HA MET 15 HA MET 15 -2.002 -1.271 12.029 131 HB2 MET 15 1HB MET 15 0.467 0.512 12.101 132 HB3 MET 15 2HB MET 15 -0.036 -0.604 13.366 133 HG2 MET 15 1HG MET 15 0.408 -2.499 11.953 134 HG3 MET 15 2HG MET 15 0.709 -1.454 10.568 135 HE1 MET 15 3HE MET 15 3.470 -1.713 14.235 136 HE2 MET 15 1HE MET 15 1.966 -2.619 14.061 137 HE3 MET 15 2HE MET 15 1.924 -0.864 14.275 138 H GLU 16 H GLU 16 -1.690 2.083 11.011 139 HA GLU 16 HA GLU 16 -2.417 3.308 13.513 140 HB2 GLU 16 1HB GLU 16 -2.332 4.509 10.709 141 HB3 GLU 16 2HB GLU 16 -2.507 5.431 12.196 142 HG2 GLU 16 1HG GLU 16 -0.084 3.731 11.569 143 HG3 GLU 16 2HG GLU 16 -0.206 5.425 11.135 144 H ASP 17 H ASP 17 -4.042 3.074 10.337 145 HA ASP 17 HA ASP 17 -6.561 4.015 11.531 146 HB2 ASP 17 1HB ASP 17 -5.661 5.258 9.592 147 HB3 ASP 17 2HB ASP 17 -5.693 3.791 8.620 148 H LEU 18 H LEU 18 -5.352 1.390 9.404 149 HA LEU 18 HA LEU 18 -7.988 0.445 8.800 150 HB2 LEU 18 1HB LEU 18 -5.349 -0.962 8.265 151 HB3 LEU 18 2HB LEU 18 -6.876 -1.218 7.432 152 HG LEU 18 HG LEU 18 -5.137 1.282 7.288 153 HD11 LEU 18 1HD1 LEU 18 -4.272 -0.596 5.990 154 HD12 LEU 18 2HD1 LEU 18 -4.795 0.727 4.960 155 HD13 LEU 18 3HD1 LEU 18 -5.801 -0.715 5.116 156 HD21 LEU 18 3HD2 LEU 18 -6.721 2.186 5.650 157 HD22 LEU 18 1HD2 LEU 18 -7.488 1.958 7.219 158 HD23 LEU 18 2HD2 LEU 18 -7.804 0.814 5.910 159 H ILE 19 H ILE 19 -5.356 -0.860 10.806 160 HA ILE 19 HA ILE 19 -7.251 -2.724 12.141 161 HB ILE 19 HB ILE 19 -4.202 -2.934 12.203 162 HG12 ILE 19 1HG1 ILE 19 -6.014 -4.466 10.279 163 HG13 ILE 19 2HG1 ILE 19 -5.009 -3.096 9.812 164 HG21 ILE 19 1HG2 ILE 19 -6.343 -5.029 12.768 165 HG22 ILE 19 2HG2 ILE 19 -5.400 -4.168 13.985 166 HG23 ILE 19 3HG2 ILE 19 -4.597 -5.279 12.876 167 HD11 ILE 19 3HD1 ILE 19 -4.016 -5.735 10.890 168 HD12 ILE 19 1HD1 ILE 19 -3.006 -4.351 10.457 169 HD13 ILE 19 2HD1 ILE 19 -3.945 -5.179 9.218 170 H GLY 20 H GLY 20 -6.899 -2.940 14.505 171 HA2 GLY 20 1HA GLY 20 -5.968 -0.408 15.770 172 HA3 GLY 20 2HA GLY 20 -7.339 -1.351 16.324 173 HA PRO 21 HA PRO 21 -4.428 -3.046 19.249 174 HB2 PRO 21 1HB PRO 21 -5.981 -4.858 20.526 175 HB3 PRO 21 2HB PRO 21 -6.383 -3.125 20.563 176 HG2 PRO 21 1HG PRO 21 -7.577 -5.286 18.848 177 HG3 PRO 21 2HG PRO 21 -8.396 -3.982 19.736 178 HD2 PRO 21 1HD PRO 21 -7.797 -3.862 17.030 179 HD3 PRO 21 2HD PRO 21 -8.022 -2.429 18.052 180 H SER 22 H SER 22 -5.540 -4.928 16.635 181 HA SER 22 HA SER 22 -3.931 -7.302 17.256 182 HB2 SER 22 1HB SER 22 -6.271 -7.458 16.272 183 HB3 SER 22 2HB SER 22 -5.637 -6.741 14.796 184 HG SER 22 HG SER 22 -4.188 -8.552 14.680 185 H ALA 23 H ALA 23 -3.046 -4.401 16.363 186 HA ALA 23 HA ALA 23 -1.321 -5.135 14.074 187 HB1 ALA 23 3HB ALA 23 -2.871 -3.335 13.507 188 HB2 ALA 23 1HB ALA 23 -1.224 -2.707 13.601 189 HB3 ALA 23 2HB ALA 23 -2.365 -2.410 14.921 190 H LYS 24 H LYS 24 -0.158 -6.185 15.885 191 HA LYS 24 HA LYS 24 1.211 -4.721 17.858 192 HB2 LYS 24 1HB LYS 24 0.945 -7.184 17.941 193 HB3 LYS 24 2HB LYS 24 1.946 -7.357 16.511 194 HG2 LYS 24 1HG LYS 24 3.182 -7.993 18.503 195 HG3 LYS 24 2HG LYS 24 3.905 -6.555 17.771 196 HD2 LYS 24 1HD LYS 24 2.897 -5.122 19.467 197 HD3 LYS 24 2HD LYS 24 1.978 -6.475 20.131 198 HE2 LYS 24 1HE LYS 24 5.011 -6.237 20.156 199 HE3 LYS 24 2HE LYS 24 3.948 -5.925 21.531 200 HZ1 LYS 24 3HZ LYS 24 4.365 -8.518 20.146 201 HZ2 LYS 24 1HZ LYS 24 3.181 -8.264 21.326 202 HZ3 LYS 24 2HZ LYS 24 4.817 -8.118 21.721 203 H GLU 25 H GLU 25 3.544 -4.191 17.878 204 HA GLU 25 HA GLU 25 4.210 -2.327 15.984 205 HB2 GLU 25 1HB GLU 25 6.150 -3.831 17.773 206 HB3 GLU 25 2HB GLU 25 6.448 -2.265 17.021 207 HG2 GLU 25 1HG GLU 25 4.545 -1.314 18.347 208 HG3 GLU 25 2HG GLU 25 4.374 -2.876 19.150 209 H ASP 26 H ASP 26 4.857 -5.750 15.730 210 HA ASP 26 HA ASP 26 6.382 -5.325 13.232 211 HB2 ASP 26 1HB ASP 26 7.851 -5.924 15.245 212 HB3 ASP 26 2HB ASP 26 7.013 -7.470 15.294 213 H GLU 27 H GLU 27 3.494 -6.112 14.020 214 HA GLU 27 HA GLU 27 3.110 -8.743 12.927 215 HB2 GLU 27 1HB GLU 27 1.283 -6.485 13.764 216 HB3 GLU 27 2HB GLU 27 0.628 -7.592 12.561 217 HG2 GLU 27 1HG GLU 27 1.590 -8.289 15.331 218 HG3 GLU 27 2HG GLU 27 -0.075 -8.248 14.771 219 H LEU 28 H LEU 28 2.600 -5.447 11.732 220 HA LEU 28 HA LEU 28 2.327 -6.326 8.987 221 HB2 LEU 28 1HB LEU 28 2.166 -3.618 10.334 222 HB3 LEU 28 2HB LEU 28 2.272 -3.738 8.591 223 HG LEU 28 HG LEU 28 -0.059 -3.461 9.242 224 HD11 LEU 28 1HD1 LEU 28 0.374 -4.824 7.275 225 HD12 LEU 28 2HD1 LEU 28 -1.059 -5.390 8.124 226 HD13 LEU 28 3HD1 LEU 28 0.455 -6.285 8.267 227 HD21 LEU 28 3HD2 LEU 28 -1.277 -5.125 10.590 228 HD22 LEU 28 1HD2 LEU 28 0.016 -4.362 11.517 229 HD23 LEU 28 2HD2 LEU 28 0.233 -5.996 10.885 230 H ASP 29 H ASP 29 3.914 -6.670 7.789 231 HA ASP 29 HA ASP 29 6.455 -5.159 7.900 232 HB2 ASP 29 1HB ASP 29 6.635 -7.575 8.755 233 HB3 ASP 29 2HB ASP 29 6.110 -8.125 7.173 234 H ASP 30 H ASP 30 7.537 -5.604 5.613 235 HA ASP 30 HA ASP 30 5.663 -4.640 3.617 236 HB2 ASP 30 1HB ASP 30 7.675 -4.273 2.233 237 HB3 ASP 30 2HB ASP 30 7.795 -3.505 3.806 238 H GLN 31 H GLN 31 7.019 -7.611 4.536 239 HA GLN 31 HA GLN 31 6.354 -8.948 1.967 240 HB2 GLN 31 1HB GLN 31 8.128 -9.929 4.266 241 HB3 GLN 31 2HB GLN 31 7.788 -10.813 2.777 242 HG2 GLN 31 1HG GLN 31 8.902 -9.013 1.479 243 HG3 GLN 31 2HG GLN 31 9.290 -8.192 2.993 244 HE21 GLN 31 1HE2 GLN 31 9.986 -10.951 0.975 245 HE22 GLN 31 2HE2 GLN 31 11.443 -11.416 1.775 246 H THR 32 H THR 32 4.915 -8.183 4.772 247 HA THR 32 HA THR 32 3.657 -10.559 5.602 248 HB THR 32 HB THR 32 2.867 -7.638 5.851 249 HG1 THR 32 HG1 THR 32 4.276 -9.482 7.349 250 HG21 THR 32 3HG2 THR 32 0.763 -8.924 5.872 251 HG22 THR 32 1HG2 THR 32 1.135 -8.300 7.480 252 HG23 THR 32 2HG2 THR 32 1.426 -10.000 7.106 253 HA PRO 33 HA PRO 33 0.874 -11.085 2.064 254 HB2 PRO 33 1HB PRO 33 -0.574 -13.181 3.053 255 HB3 PRO 33 2HB PRO 33 1.090 -13.381 2.475 256 HG2 PRO 33 1HG PRO 33 0.091 -13.138 5.292 257 HG3 PRO 33 2HG PRO 33 1.329 -14.230 4.629 258 HD2 PRO 33 1HD PRO 33 1.940 -11.912 5.961 259 HD3 PRO 33 2HD PRO 33 2.987 -12.617 4.710 260 H LEU 34 H LEU 34 -0.035 -9.007 2.435 261 HA LEU 34 HA LEU 34 -1.620 -8.203 4.602 262 HB2 LEU 34 1HB LEU 34 -1.639 -7.050 1.784 263 HB3 LEU 34 2HB LEU 34 -2.139 -6.219 3.252 264 HG LEU 34 HG LEU 34 0.713 -7.062 2.584 265 HD11 LEU 34 1HD1 LEU 34 -0.000 -5.221 1.192 266 HD12 LEU 34 2HD1 LEU 34 1.164 -4.656 2.387 267 HD13 LEU 34 3HD1 LEU 34 -0.553 -4.313 2.605 268 HD21 LEU 34 3HD2 LEU 34 -0.313 -5.527 4.996 269 HD22 LEU 34 1HD2 LEU 34 1.387 -5.796 4.588 270 HD23 LEU 34 2HD2 LEU 34 0.353 -7.162 4.994 271 H LEU 35 H LEU 35 -2.598 -8.944 1.271 272 HA LEU 35 HA LEU 35 -5.392 -8.650 1.738 273 HB2 LEU 35 1HB LEU 35 -4.073 -8.385 -0.459 274 HB3 LEU 35 2HB LEU 35 -4.126 -10.135 -0.576 275 HG LEU 35 HG LEU 35 -6.698 -9.900 -0.395 276 HD11 LEU 35 1HD1 LEU 35 -6.079 -7.016 -1.079 277 HD12 LEU 35 2HD1 LEU 35 -6.735 -7.598 0.454 278 HD13 LEU 35 3HD1 LEU 35 -7.676 -7.771 -1.023 279 HD21 LEU 35 3HD2 LEU 35 -5.562 -10.513 -2.463 280 HD22 LEU 35 1HD2 LEU 35 -5.319 -8.809 -2.853 281 HD23 LEU 35 2HD2 LEU 35 -6.954 -9.479 -2.783 282 H GLU 36 H GLU 36 -3.170 -11.330 1.913 283 HA GLU 36 HA GLU 36 -4.988 -13.509 1.866 284 HB2 GLU 36 1HB GLU 36 -2.559 -13.776 1.488 285 HB3 GLU 36 2HB GLU 36 -2.228 -13.241 3.131 286 HG2 GLU 36 1HG GLU 36 -1.995 -15.664 2.958 287 HG3 GLU 36 2HG GLU 36 -3.349 -15.258 4.016 288 H TRP 37 H TRP 37 -3.691 -11.464 4.468 289 HA TRP 37 HA TRP 37 -5.119 -12.696 6.625 290 HB2 TRP 37 1HB TRP 37 -3.886 -9.922 6.312 291 HB3 TRP 37 2HB TRP 37 -4.638 -10.474 7.804 292 HD1 TRP 37 HD1 TRP 37 -2.648 -13.250 6.239 293 HE1 TRP 37 HE1 TRP 37 -0.413 -13.525 7.479 294 HE3 TRP 37 HE3 TRP 37 -2.701 -8.927 8.999 295 HZ2 TRP 37 HZ2 TRP 37 1.122 -12.121 9.372 296 HZ3 TRP 37 HZ3 TRP 37 -0.799 -8.469 10.508 297 HH2 TRP 37 HH2 TRP 37 1.071 -10.039 10.686 298 H GLY 38 H GLY 38 -6.021 -10.480 4.099 299 HA2 GLY 38 1HA GLY 38 -8.076 -9.675 3.459 300 HA3 GLY 38 2HA GLY 38 -8.810 -10.494 4.829 301 H ILE 39 H ILE 39 -6.155 -8.443 5.524 302 HA ILE 39 HA ILE 39 -7.701 -6.578 7.082 303 HB ILE 39 HB ILE 39 -5.530 -5.480 7.548 304 HG12 ILE 39 1HG1 ILE 39 -4.392 -7.415 5.472 305 HG13 ILE 39 2HG1 ILE 39 -4.480 -5.670 5.317 306 HG21 ILE 39 1HG2 ILE 39 -4.397 -7.385 8.658 307 HG22 ILE 39 2HG2 ILE 39 -5.374 -8.512 7.718 308 HG23 ILE 39 3HG2 ILE 39 -6.145 -7.440 8.889 309 HD11 ILE 39 3HD1 ILE 39 -2.880 -5.450 7.159 310 HD12 ILE 39 1HD1 ILE 39 -2.244 -6.369 5.796 311 HD13 ILE 39 2HD1 ILE 39 -2.773 -7.210 7.252 312 H LEU 40 H LEU 40 -6.636 -6.733 3.802 313 HA LEU 40 HA LEU 40 -7.378 -3.915 3.288 314 HB2 LEU 40 1HB LEU 40 -5.915 -5.816 1.402 315 HB3 LEU 40 2HB LEU 40 -6.200 -4.102 1.155 316 HG LEU 40 HG LEU 40 -4.234 -5.405 3.072 317 HD11 LEU 40 1HD1 LEU 40 -2.558 -4.142 1.807 318 HD12 LEU 40 2HD1 LEU 40 -3.820 -3.484 0.760 319 HD13 LEU 40 3HD1 LEU 40 -3.484 -5.221 0.763 320 HD21 LEU 40 3HD2 LEU 40 -3.602 -3.133 3.852 321 HD22 LEU 40 1HD2 LEU 40 -5.240 -3.576 4.327 322 HD23 LEU 40 2HD2 LEU 40 -4.985 -2.457 2.985 323 H ASN 41 H ASN 41 -9.113 -3.534 1.988 324 HA ASN 41 HA ASN 41 -10.224 -5.504 0.209 325 HB2 ASN 41 1HB ASN 41 -12.506 -5.545 1.192 326 HB3 ASN 41 2HB ASN 41 -11.308 -6.241 2.275 327 HD21 ASN 41 1HD2 ASN 41 -12.597 -5.958 4.101 328 HD22 ASN 41 2HD2 ASN 41 -12.926 -4.407 4.789 329 H SER 42 H SER 42 -12.523 -4.412 -0.593 330 HA SER 42 HA SER 42 -11.663 -2.184 -2.138 331 HB2 SER 42 2HB SER 42 -13.276 -3.913 -2.921 332 HB3 SER 42 1HB SER 42 -14.467 -3.323 -1.765 333 H MET 43 H MET 43 -13.535 -2.444 0.833 334 HA MET 43 HA MET 43 -14.492 0.268 0.908 335 HB2 MET 43 1HB MET 43 -15.548 -1.566 2.216 336 HB3 MET 43 2HB MET 43 -14.086 -1.736 3.173 337 HG2 MET 43 1HG MET 43 -15.596 -0.542 4.540 338 HG3 MET 43 2HG MET 43 -14.483 0.684 3.942 339 HE1 MET 43 3HE MET 43 -16.731 2.925 1.693 340 HE2 MET 43 1HE MET 43 -15.464 1.810 1.183 341 HE3 MET 43 2HE MET 43 -15.235 2.807 2.620 342 H ASN 44 H ASN 44 -11.655 -1.405 1.947 343 HA ASN 44 HA ASN 44 -10.535 0.675 3.601 344 HB2 ASN 44 1HB ASN 44 -10.244 -1.660 4.207 345 HB3 ASN 44 2HB ASN 44 -9.569 -2.050 2.636 346 HD21 ASN 44 1HD2 ASN 44 -8.605 -2.384 5.424 347 HD22 ASN 44 2HD2 ASN 44 -7.022 -1.709 5.434 348 H ILE 45 H ILE 45 -10.324 -0.359 0.277 349 HA ILE 45 HA ILE 45 -7.637 0.077 -0.274 350 HB ILE 45 HB ILE 45 -9.355 -1.198 -1.708 351 HG12 ILE 45 1HG1 ILE 45 -8.117 -0.711 -3.869 352 HG13 ILE 45 2HG1 ILE 45 -7.355 0.658 -3.064 353 HG21 ILE 45 1HG2 ILE 45 -9.894 1.519 -2.961 354 HG22 ILE 45 2HG2 ILE 45 -11.037 0.605 -1.980 355 HG23 ILE 45 3HG2 ILE 45 -10.505 -0.034 -3.534 356 HD11 ILE 45 3HD1 ILE 45 -5.904 -1.278 -3.133 357 HD12 ILE 45 1HD1 ILE 45 -7.100 -2.236 -2.261 358 HD13 ILE 45 2HD1 ILE 45 -6.309 -0.866 -1.468 359 H VAL 46 H VAL 46 -10.315 2.340 -0.345 360 HA VAL 46 HA VAL 46 -9.155 4.369 -1.931 361 HB VAL 46 HB VAL 46 -10.981 5.846 -0.944 362 HG11 VAL 46 1HG1 VAL 46 -11.905 3.138 -1.986 363 HG12 VAL 46 2HG1 VAL 46 -11.408 4.515 -2.969 364 HG13 VAL 46 3HG1 VAL 46 -12.864 4.623 -1.982 365 HG21 VAL 46 3HG2 VAL 46 -11.722 3.352 0.668 366 HG22 VAL 46 1HG2 VAL 46 -12.710 4.813 0.538 367 HG23 VAL 46 2HG2 VAL 46 -11.136 4.877 1.330 368 H LYS 47 H LYS 47 -9.082 3.758 1.592 369 HA LYS 47 HA LYS 47 -7.989 6.277 2.325 370 HB2 LYS 47 1HB LYS 47 -7.922 3.640 3.838 371 HB3 LYS 47 2HB LYS 47 -7.344 5.169 4.493 372 HG2 LYS 47 1HG LYS 47 -9.449 5.330 5.350 373 HG3 LYS 47 2HG LYS 47 -9.852 5.926 3.741 374 HD2 LYS 47 1HD LYS 47 -11.487 4.293 4.219 375 HD3 LYS 47 2HD LYS 47 -10.373 3.478 3.125 376 HE2 LYS 47 1HE LYS 47 -11.029 2.026 5.015 377 HE3 LYS 47 2HE LYS 47 -9.297 2.362 5.024 378 HZ1 LYS 47 3HZ LYS 47 -10.221 2.537 7.230 379 HZ2 LYS 47 1HZ LYS 47 -11.331 3.707 6.728 380 HZ3 LYS 47 2HZ LYS 47 -9.672 4.043 6.721 381 H LEU 48 H LEU 48 -6.579 3.139 1.455 382 HA LEU 48 HA LEU 48 -3.875 3.879 1.911 383 HB2 LEU 48 1HB LEU 48 -5.153 1.681 0.266 384 HB3 LEU 48 2HB LEU 48 -3.417 1.942 0.221 385 HG LEU 48 HG LEU 48 -5.068 1.183 2.661 386 HD11 LEU 48 1HD1 LEU 48 -4.706 -0.687 1.129 387 HD12 LEU 48 2HD1 LEU 48 -3.798 -0.901 2.625 388 HD13 LEU 48 3HD1 LEU 48 -2.962 -0.393 1.153 389 HD21 LEU 48 3HD2 LEU 48 -2.080 1.719 2.499 390 HD22 LEU 48 1HD2 LEU 48 -2.940 1.074 3.902 391 HD23 LEU 48 2HD2 LEU 48 -3.273 2.709 3.342 392 H MET 49 H MET 49 -5.939 3.986 -1.033 393 HA MET 49 HA MET 49 -3.807 4.664 -2.770 394 HB2 MET 49 1HB MET 49 -6.789 5.074 -3.171 395 HB3 MET 49 2HB MET 49 -5.571 5.260 -4.429 396 HG2 MET 49 1HG MET 49 -4.931 2.797 -3.769 397 HG3 MET 49 2HG MET 49 -6.561 2.751 -3.119 398 HE1 MET 49 3HE MET 49 -8.708 3.380 -6.310 399 HE2 MET 49 1HE MET 49 -8.198 4.604 -5.144 400 HE3 MET 49 2HE MET 49 -8.737 3.015 -4.588 401 H VAL 50 H VAL 50 -5.997 6.703 -0.879 402 HA VAL 50 HA VAL 50 -5.086 9.183 -2.039 403 HB VAL 50 HB VAL 50 -6.298 10.350 -0.277 404 HG11 VAL 50 1HG1 VAL 50 -8.591 9.514 -0.691 405 HG12 VAL 50 2HG1 VAL 50 -7.931 8.001 -1.314 406 HG13 VAL 50 3HG1 VAL 50 -7.627 9.516 -2.172 407 HG21 VAL 50 3HG2 VAL 50 -5.733 8.934 1.669 408 HG22 VAL 50 1HG2 VAL 50 -6.768 7.646 1.050 409 HG23 VAL 50 2HG2 VAL 50 -7.479 9.176 1.570 410 H TYR 51 H TYR 51 -4.102 7.122 0.639 411 HA TYR 51 HA TYR 51 -2.327 8.920 1.936 412 HB2 TYR 51 1HB TYR 51 -3.214 6.893 3.041 413 HB3 TYR 51 2HB TYR 51 -2.335 5.874 1.903 414 HD1 TYR 51 HD1 TYR 51 -1.919 8.326 4.685 415 HD2 TYR 51 HD2 TYR 51 0.007 5.366 2.263 416 HE1 TYR 51 HE1 TYR 51 0.056 8.410 6.148 417 HE2 TYR 51 HE2 TYR 51 1.963 5.442 3.720 418 HH TYR 51 HH TYR 51 3.009 7.240 5.290 419 H ILE 52 H ILE 52 -1.857 6.428 -0.594 420 HA ILE 52 HA ILE 52 0.946 6.866 -0.956 421 HB ILE 52 HB ILE 52 -1.127 5.408 -2.657 422 HG12 ILE 52 1HG1 ILE 52 0.342 3.389 -2.175 423 HG13 ILE 52 2HG1 ILE 52 1.343 4.408 -1.155 424 HG21 ILE 52 1HG2 ILE 52 1.807 5.752 -3.405 425 HG22 ILE 52 2HG2 ILE 52 0.414 6.403 -4.279 426 HG23 ILE 52 3HG2 ILE 52 0.665 4.660 -4.206 427 HD11 ILE 52 3HD1 ILE 52 -0.122 2.989 0.127 428 HD12 ILE 52 1HD1 ILE 52 -1.534 3.686 -0.668 429 HD13 ILE 52 2HD1 ILE 52 -0.527 4.687 0.383 430 H ARG 53 H ARG 53 -1.986 8.201 -2.421 431 HA ARG 53 HA ARG 53 -0.796 9.736 -4.490 432 HB2 ARG 53 1HB ARG 53 -3.217 9.165 -4.386 433 HB3 ARG 53 2HB ARG 53 -3.405 10.234 -3.001 434 HG2 ARG 53 1HG ARG 53 -2.698 12.155 -4.478 435 HG3 ARG 53 2HG ARG 53 -2.703 11.038 -5.845 436 HD2 ARG 53 1HD ARG 53 -4.788 12.328 -5.753 437 HD3 ARG 53 2HD ARG 53 -5.104 10.608 -5.492 438 HE ARG 53 HE ARG 53 -4.734 11.888 -3.003 439 HH11 ARG 53 1HH1 ARG 53 -7.151 11.722 -5.558 440 HH12 ARG 53 2HH1 ARG 53 -8.462 12.082 -4.485 441 HH21 ARG 53 1HH2 ARG 53 -6.463 12.323 -1.626 442 HH22 ARG 53 2HH2 ARG 53 -8.074 12.423 -2.265 443 H ASP 54 H ASP 54 -1.128 10.265 -1.079 444 HA ASP 54 HA ASP 54 -0.512 13.110 -1.179 445 HB2 ASP 54 1HB ASP 54 -2.125 12.302 0.470 446 HB3 ASP 54 2HB ASP 54 -0.962 11.146 1.109 447 H GLU 55 H GLU 55 0.972 10.211 0.277 448 HA GLU 55 HA GLU 55 3.376 11.478 1.132 449 HB2 GLU 55 1HB GLU 55 2.522 8.569 0.915 450 HB3 GLU 55 2HB GLU 55 4.080 9.042 1.578 451 HG2 GLU 55 1HG GLU 55 1.463 10.049 2.720 452 HG3 GLU 55 2HG GLU 55 2.209 8.535 3.234 453 H MET 56 H MET 56 2.879 8.869 -1.279 454 HA MET 56 HA MET 56 5.503 9.173 -2.419 455 HB2 MET 56 1HB MET 56 3.113 7.444 -3.100 456 HB3 MET 56 2HB MET 56 4.495 7.514 -4.178 457 HG2 MET 56 1HG MET 56 5.552 5.973 -2.965 458 HG3 MET 56 2HG MET 56 5.459 6.976 -1.528 459 HE1 MET 56 3HE MET 56 4.297 6.150 0.560 460 HE2 MET 56 1HE MET 56 2.664 5.478 0.523 461 HE3 MET 56 2HE MET 56 2.983 7.073 -0.172 462 H GLY 57 H GLY 57 2.335 10.456 -3.064 463 HA2 GLY 57 1HA GLY 57 1.633 12.099 -4.516 464 HA3 GLY 57 2HA GLY 57 3.248 12.176 -5.210 465 H VAL 58 H VAL 58 1.237 9.282 -4.881 466 HA VAL 58 HA VAL 58 1.184 8.948 -7.837 467 HB VAL 58 HB VAL 58 1.528 6.770 -5.733 468 HG11 VAL 58 1HG1 VAL 58 1.974 5.239 -7.618 469 HG12 VAL 58 2HG1 VAL 58 1.630 6.539 -8.759 470 HG13 VAL 58 3HG1 VAL 58 0.349 5.925 -7.711 471 HG21 VAL 58 3HG2 VAL 58 3.844 6.530 -6.555 472 HG22 VAL 58 1HG2 VAL 58 3.550 8.121 -5.844 473 HG23 VAL 58 2HG2 VAL 58 3.610 7.934 -7.597 474 H SER 59 H SER 59 -0.913 9.118 -8.470 475 HA SER 59 HA SER 59 -3.117 8.203 -6.778 476 HB2 SER 59 1HB SER 59 -3.295 10.377 -8.012 477 HB3 SER 59 2HB SER 59 -3.219 9.504 -9.539 478 HG SER 59 HG SER 59 -5.194 8.695 -9.187 479 H ILE 60 H ILE 60 -3.518 6.130 -6.836 480 HA ILE 60 HA ILE 60 -2.600 4.362 -8.934 481 HB ILE 60 HB ILE 60 -4.169 3.762 -6.384 482 HG12 ILE 60 1HG1 ILE 60 -1.161 3.556 -6.896 483 HG13 ILE 60 2HG1 ILE 60 -1.941 4.791 -5.915 484 HG21 ILE 60 1HG2 ILE 60 -2.695 1.830 -8.219 485 HG22 ILE 60 2HG2 ILE 60 -4.445 1.953 -8.021 486 HG23 ILE 60 3HG2 ILE 60 -3.448 1.415 -6.672 487 HD11 ILE 60 3HD1 ILE 60 -0.921 3.120 -4.503 488 HD12 ILE 60 1HD1 ILE 60 -1.823 1.831 -5.300 489 HD13 ILE 60 2HD1 ILE 60 -2.673 3.038 -4.331 490 HA PRO 61 HA PRO 61 -6.724 4.559 -11.002 491 HB2 PRO 61 1HB PRO 61 -6.112 2.986 -13.159 492 HB3 PRO 61 2HB PRO 61 -5.541 4.662 -13.029 493 HG2 PRO 61 1HG PRO 61 -4.043 2.124 -12.384 494 HG3 PRO 61 2HG PRO 61 -3.504 3.534 -13.335 495 HD2 PRO 61 1HD PRO 61 -2.812 3.227 -10.730 496 HD3 PRO 61 2HD PRO 61 -3.093 4.831 -11.434 497 H SER 62 H SER 62 -8.485 3.094 -11.116 498 HA SER 62 HA SER 62 -8.553 1.181 -9.040 499 HB2 SER 62 1HB SER 62 -10.896 0.746 -9.877 500 HB3 SER 62 2HB SER 62 -10.527 2.453 -9.625 501 HG SER 62 HG SER 62 -11.061 2.724 -11.602 502 H THR 63 H THR 63 -8.106 0.747 -12.508 503 HA THR 63 HA THR 63 -8.488 -2.048 -12.638 504 HB THR 63 HB THR 63 -8.474 -0.676 -14.676 505 HG1 THR 63 HG1 THR 63 -7.636 -2.994 -14.559 506 HG21 THR 63 3HG2 THR 63 -6.415 0.241 -15.648 507 HG22 THR 63 1HG2 THR 63 -5.484 -0.308 -14.250 508 HG23 THR 63 2HG2 THR 63 -6.700 0.955 -14.060 509 H HIS 64 H HIS 64 -5.753 -0.113 -11.567 510 HA HIS 64 HA HIS 64 -3.860 -2.305 -11.619 511 HB2 HIS 64 1HB HIS 64 -3.647 0.622 -11.280 512 HB3 HIS 64 2HB HIS 64 -2.630 -0.244 -10.133 513 HD1 HIS 64 HD1 HIS 64 -2.853 0.673 -13.722 514 HD2 HIS 64 HD2 HIS 64 -0.643 -1.927 -11.358 515 HE1 HIS 64 HE1 HIS 64 -0.946 -0.092 -15.157 516 HE2 HIS 64 HE2 HIS 64 0.484 -1.493 -13.631 517 H ILE 65 H ILE 65 -6.268 -1.295 -9.427 518 HA ILE 65 HA ILE 65 -5.076 -2.683 -7.171 519 HB ILE 65 HB ILE 65 -8.013 -1.896 -7.517 520 HG12 ILE 65 1HG1 ILE 65 -7.446 -0.191 -5.678 521 HG13 ILE 65 2HG1 ILE 65 -5.761 -0.554 -5.962 522 HG21 ILE 65 1HG2 ILE 65 -6.550 -3.006 -5.072 523 HG22 ILE 65 2HG2 ILE 65 -7.775 -3.847 -6.029 524 HG23 ILE 65 3HG2 ILE 65 -8.221 -2.427 -5.086 525 HD11 ILE 65 3HD1 ILE 65 -6.118 0.193 -8.316 526 HD12 ILE 65 1HD1 ILE 65 -6.232 1.419 -7.059 527 HD13 ILE 65 2HD1 ILE 65 -7.697 0.767 -7.776 528 H THR 66 H THR 66 -4.875 -4.750 -7.172 529 HA THR 66 HA THR 66 -6.978 -6.583 -7.889 530 HB THR 66 HB THR 66 -5.996 -6.370 -10.110 531 HG1 THR 66 HG1 THR 66 -5.978 -8.452 -10.395 532 HG21 THR 66 3HG2 THR 66 -3.806 -5.423 -9.547 533 HG22 THR 66 1HG2 THR 66 -3.605 -6.847 -10.578 534 HG23 THR 66 2HG2 THR 66 -3.293 -6.961 -8.845 535 H GLY 67 H GLY 67 -6.302 -8.837 -7.318 536 HA2 GLY 67 1HA GLY 67 -5.147 -8.855 -4.696 537 HA3 GLY 67 2HA GLY 67 -5.779 -10.244 -5.570 538 H LYS 68 H LYS 68 -3.672 -8.941 -7.627 539 HA LYS 68 HA LYS 68 -1.449 -10.696 -7.034 540 HB2 LYS 68 1HB LYS 68 -2.290 -10.463 -9.298 541 HB3 LYS 68 2HB LYS 68 -2.097 -8.716 -9.256 542 HG2 LYS 68 1HG LYS 68 0.312 -8.911 -9.363 543 HG3 LYS 68 2HG LYS 68 0.230 -10.665 -9.138 544 HD2 LYS 68 1HD LYS 68 0.622 -10.038 -11.512 545 HD3 LYS 68 2HD LYS 68 -0.879 -10.940 -11.295 546 HE2 LYS 68 1HE LYS 68 -2.040 -8.618 -11.233 547 HE3 LYS 68 2HE LYS 68 -0.523 -7.983 -11.871 548 HZ1 LYS 68 3HZ LYS 68 -0.760 -9.524 -13.735 549 HZ2 LYS 68 1HZ LYS 68 -2.058 -8.447 -13.624 550 HZ3 LYS 68 2HZ LYS 68 -2.238 -10.045 -13.112 551 H TYR 69 H TYR 69 -2.037 -7.169 -7.242 552 HA TYR 69 HA TYR 69 0.673 -6.475 -6.473 553 HB2 TYR 69 1HB TYR 69 -1.791 -4.823 -7.100 554 HB3 TYR 69 2HB TYR 69 -0.321 -4.076 -6.480 555 HD1 TYR 69 HD1 TYR 69 1.880 -5.236 -7.848 556 HD2 TYR 69 HD2 TYR 69 -2.015 -4.412 -9.411 557 HE1 TYR 69 HE1 TYR 69 2.826 -5.041 -10.102 558 HE2 TYR 69 HE2 TYR 69 -1.070 -4.228 -11.666 559 HH TYR 69 HH TYR 69 2.198 -5.102 -12.387 560 H PHE 70 H PHE 70 -2.574 -6.180 -4.971 561 HA PHE 70 HA PHE 70 -1.430 -5.074 -2.532 562 HB2 PHE 70 1HB PHE 70 -4.285 -5.589 -3.434 563 HB3 PHE 70 2HB PHE 70 -3.900 -5.022 -1.807 564 HD1 PHE 70 HD1 PHE 70 -3.800 -4.111 -5.417 565 HD2 PHE 70 HD2 PHE 70 -3.139 -2.742 -1.410 566 HE1 PHE 70 HE1 PHE 70 -3.584 -1.795 -6.230 567 HE2 PHE 70 HE2 PHE 70 -2.938 -0.436 -2.239 568 HZ PHE 70 HZ PHE 70 -3.152 0.038 -4.645 569 H LYS 71 H LYS 71 -1.206 -7.979 -3.541 570 HA LYS 71 HA LYS 71 -2.127 -9.726 -1.506 571 HB2 LYS 71 1HB LYS 71 -1.511 -10.404 -3.820 572 HB3 LYS 71 2HB LYS 71 0.157 -9.947 -3.513 573 HG2 LYS 71 1HG LYS 71 0.332 -11.724 -1.807 574 HG3 LYS 71 2HG LYS 71 -1.344 -12.180 -2.118 575 HD2 LYS 71 1HD LYS 71 0.217 -13.690 -3.281 576 HD3 LYS 71 2HD LYS 71 -0.758 -12.788 -4.444 577 HE2 LYS 71 1HE LYS 71 1.116 -11.266 -4.876 578 HE3 LYS 71 2HE LYS 71 2.080 -12.056 -3.625 579 HZ1 LYS 71 3HZ LYS 71 2.735 -12.825 -5.755 580 HZ2 LYS 71 1HZ LYS 71 1.155 -13.252 -6.165 581 HZ3 LYS 71 2HZ LYS 71 1.971 -14.094 -4.950 582 H ASP 72 H ASP 72 1.025 -8.213 -2.248 583 HA ASP 72 HA ASP 72 1.819 -8.236 0.594 584 HB2 ASP 72 1HB ASP 72 3.772 -8.913 -1.679 585 HB3 ASP 72 2HB ASP 72 4.194 -8.712 0.013 586 H LEU 73 H LEU 73 3.414 -6.576 1.026 587 HA LEU 73 HA LEU 73 2.609 -4.111 -0.216 588 HB2 LEU 73 1HB LEU 73 2.897 -4.464 2.221 589 HB3 LEU 73 2HB LEU 73 4.619 -4.690 1.967 590 HG LEU 73 HG LEU 73 4.833 -2.350 1.213 591 HD11 LEU 73 1HD1 LEU 73 2.603 -2.024 0.246 592 HD12 LEU 73 2HD1 LEU 73 3.001 -0.764 1.410 593 HD13 LEU 73 3HD1 LEU 73 1.888 -2.059 1.863 594 HD21 LEU 73 3HD2 LEU 73 4.372 -1.294 3.396 595 HD22 LEU 73 1HD2 LEU 73 5.216 -2.828 3.526 596 HD23 LEU 73 2HD2 LEU 73 3.493 -2.734 3.891 597 H ASN 74 H ASN 74 5.413 -6.216 -0.505 598 HA ASN 74 HA ASN 74 7.119 -4.406 -1.909 599 HB2 ASN 74 1HB ASN 74 6.944 -7.437 -1.812 600 HB3 ASN 74 2HB ASN 74 8.059 -6.648 -2.917 601 HD21 ASN 74 1HD2 ASN 74 7.346 -7.325 0.415 602 HD22 ASN 74 2HD2 ASN 74 8.870 -6.823 1.046 603 H ALA 75 H ALA 75 4.453 -6.498 -2.904 604 HA ALA 75 HA ALA 75 4.734 -5.997 -5.730 605 HB1 ALA 75 3HB ALA 75 2.608 -7.218 -5.935 606 HB2 ALA 75 1HB ALA 75 2.398 -7.174 -4.182 607 HB3 ALA 75 2HB ALA 75 3.732 -8.087 -4.887 608 H ILE 76 H ILE 76 2.933 -4.542 -3.044 609 HA ILE 76 HA ILE 76 1.433 -2.654 -4.581 610 HB ILE 76 HB ILE 76 2.401 -2.465 -1.690 611 HG12 ILE 76 1HG1 ILE 76 -0.292 -3.338 -2.816 612 HG13 ILE 76 2HG1 ILE 76 0.907 -4.402 -2.089 613 HG21 ILE 76 1HG2 ILE 76 0.677 -0.727 -1.339 614 HG22 ILE 76 2HG2 ILE 76 0.268 -0.771 -3.055 615 HG23 ILE 76 3HG2 ILE 76 1.860 -0.208 -2.541 616 HD11 ILE 76 3HD1 ILE 76 -0.868 -4.009 -0.547 617 HD12 ILE 76 1HD1 ILE 76 -0.695 -2.259 -0.700 618 HD13 ILE 76 2HD1 ILE 76 0.585 -3.211 0.057 619 H SER 77 H SER 77 4.723 -2.681 -3.257 620 HA SER 77 HA SER 77 5.263 0.094 -3.550 621 HB2 SER 77 1HB SER 77 6.564 -1.381 -2.028 622 HB3 SER 77 2HB SER 77 7.235 -2.223 -3.420 623 HG SER 77 HG SER 77 8.083 -0.112 -4.073 624 H ARG 78 H ARG 78 5.809 -2.770 -5.596 625 HA ARG 78 HA ARG 78 7.475 -1.440 -7.478 626 HB2 ARG 78 1HB ARG 78 7.359 -3.471 -8.802 627 HB3 ARG 78 2HB ARG 78 7.601 -3.857 -7.105 628 HG2 ARG 78 1HG ARG 78 5.164 -4.373 -6.932 629 HG3 ARG 78 2HG ARG 78 5.042 -4.142 -8.679 630 HD2 ARG 78 1HD ARG 78 5.299 -6.545 -7.985 631 HD3 ARG 78 2HD ARG 78 6.566 -5.988 -9.086 632 HE ARG 78 HE ARG 78 7.343 -5.658 -6.349 633 HH11 ARG 78 1HH1 ARG 78 7.091 -8.147 -8.832 634 HH12 ARG 78 2HH1 ARG 78 8.326 -9.135 -8.124 635 HH21 ARG 78 1HH2 ARG 78 9.006 -6.935 -5.484 636 HH22 ARG 78 2HH2 ARG 78 9.411 -8.450 -6.232 637 H THR 79 H THR 79 3.972 -1.989 -7.304 638 HA THR 79 HA THR 79 3.482 -0.923 -9.930 639 HB THR 79 HB THR 79 1.817 -2.450 -8.771 640 HG1 THR 79 HG1 THR 79 0.923 0.083 -9.701 641 HG21 THR 79 3HG2 THR 79 1.779 -1.418 -6.529 642 HG22 THR 79 1HG2 THR 79 0.162 -1.455 -7.240 643 HG23 THR 79 2HG2 THR 79 1.084 0.053 -7.220 644 H VAL 80 H VAL 80 3.725 0.418 -6.621 645 HA VAL 80 HA VAL 80 2.843 3.061 -7.260 646 HB VAL 80 HB VAL 80 4.582 1.984 -4.996 647 HG11 VAL 80 1HG1 VAL 80 4.425 4.200 -3.873 648 HG12 VAL 80 2HG1 VAL 80 3.677 4.877 -5.320 649 HG13 VAL 80 3HG1 VAL 80 5.345 4.304 -5.379 650 HG21 VAL 80 3HG2 VAL 80 2.591 2.467 -3.600 651 HG22 VAL 80 1HG2 VAL 80 2.189 1.381 -4.935 652 HG23 VAL 80 2HG2 VAL 80 1.742 3.086 -5.017 653 H GLU 81 H GLU 81 5.960 1.430 -7.469 654 HA GLU 81 HA GLU 81 7.618 3.662 -7.989 655 HB2 GLU 81 1HB GLU 81 7.869 0.697 -8.605 656 HB3 GLU 81 2HB GLU 81 9.138 1.841 -9.041 657 HG2 GLU 81 1HG GLU 81 9.509 2.423 -6.737 658 HG3 GLU 81 2HG GLU 81 8.108 1.501 -6.208 659 H GLN 82 H GLN 82 5.906 1.421 -10.101 660 HA GLN 82 HA GLN 82 6.792 2.635 -12.550 661 HB2 GLN 82 1HB GLN 82 6.194 0.243 -12.424 662 HB3 GLN 82 2HB GLN 82 4.520 0.666 -12.077 663 HG2 GLN 82 1HG GLN 82 4.848 0.007 -14.440 664 HG3 GLN 82 2HG GLN 82 4.273 1.668 -14.299 665 HE21 GLN 82 1HE2 GLN 82 5.663 3.371 -14.912 666 HE22 GLN 82 2HE2 GLN 82 7.126 3.109 -15.791 667 H LEU 83 H LEU 83 3.744 2.738 -10.712 668 HA LEU 83 HA LEU 83 2.268 4.377 -12.488 669 HB2 LEU 83 1HB LEU 83 1.967 3.554 -9.600 670 HB3 LEU 83 2HB LEU 83 0.984 4.879 -10.174 671 HG LEU 83 HG LEU 83 -0.231 3.487 -11.693 672 HD11 LEU 83 1HD1 LEU 83 0.222 1.173 -12.190 673 HD12 LEU 83 2HD1 LEU 83 1.627 1.172 -11.121 674 HD13 LEU 83 3HD1 LEU 83 1.635 2.146 -12.591 675 HD21 LEU 83 3HD2 LEU 83 -1.226 1.796 -10.215 676 HD22 LEU 83 1HD2 LEU 83 -0.937 3.306 -9.353 677 HD23 LEU 83 2HD2 LEU 83 0.146 1.933 -9.112 678 H LYS 84 H LYS 84 4.621 5.125 -9.984 679 HA LYS 84 HA LYS 84 4.115 7.913 -9.725 680 HB2 LYS 84 1HB LYS 84 5.432 6.530 -8.105 681 HB3 LYS 84 2HB LYS 84 6.716 6.378 -9.293 682 HG2 LYS 84 1HG LYS 84 7.235 8.726 -9.144 683 HG3 LYS 84 2HG LYS 84 5.771 9.045 -8.214 684 HD2 LYS 84 1HD LYS 84 7.805 9.070 -6.799 685 HD3 LYS 84 2HD LYS 84 6.652 7.836 -6.293 686 HE2 LYS 84 1HE LYS 84 8.951 7.126 -8.121 687 HE3 LYS 84 2HE LYS 84 9.196 7.237 -6.381 688 HZ1 LYS 84 3HZ LYS 84 7.494 5.527 -6.097 689 HZ2 LYS 84 1HZ LYS 84 8.774 4.985 -7.064 690 HZ3 LYS 84 2HZ LYS 84 7.307 5.421 -7.773 691 H ALA 85 H ALA 85 6.184 5.929 -11.795 692 HA ALA 85 HA ALA 85 7.543 8.064 -13.121 693 HB1 ALA 85 3HB ALA 85 8.326 6.301 -14.675 694 HB2 ALA 85 1HB ALA 85 7.185 5.159 -13.963 695 HB3 ALA 85 2HB ALA 85 8.511 5.804 -12.993 696 H GLU 86 H GLU 86 4.654 6.142 -13.826 697 HA GLU 86 HA GLU 86 4.148 7.136 -16.440 698 HB2 GLU 86 1HB GLU 86 2.295 5.848 -14.392 699 HB3 GLU 86 2HB GLU 86 1.856 6.162 -16.071 700 HG2 GLU 86 1HG GLU 86 3.642 4.654 -16.844 701 HG3 GLU 86 2HG GLU 86 4.129 4.353 -15.176 702 H SER 87 H SER 87 3.030 8.078 -13.199 703 HA SER 87 HA SER 87 1.360 10.224 -14.169 704 HB2 SER 87 1HB SER 87 2.162 9.451 -11.344 705 HB3 SER 87 2HB SER 87 1.000 10.718 -11.751 706 HG SER 87 HG SER 87 0.026 8.852 -13.065 707 H ALA 88 H ALA 88 4.692 9.931 -13.426 708 HA ALA 88 HA ALA 88 5.219 12.737 -12.997 709 HB1 ALA 88 3HB ALA 88 7.590 12.103 -13.217 710 HB2 ALA 88 1HB ALA 88 7.124 10.490 -13.770 711 HB3 ALA 88 2HB ALA 88 6.748 11.003 -12.125 712 H LEU 89 H LEU 89 5.217 10.488 -15.733 713 HA LEU 89 HA LEU 89 6.173 12.497 -17.617 714 HB2 LEU 89 1HB LEU 89 5.761 9.500 -17.715 715 HB3 LEU 89 2HB LEU 89 5.887 10.393 -19.218 716 HG LEU 89 HG LEU 89 8.046 9.445 -18.661 717 HD11 LEU 89 1HD1 LEU 89 8.042 11.615 -19.788 718 HD12 LEU 89 2HD1 LEU 89 9.455 11.419 -18.757 719 HD13 LEU 89 3HD1 LEU 89 8.114 12.437 -18.224 720 HD21 LEU 89 3HD2 LEU 89 7.930 10.956 -16.041 721 HD22 LEU 89 1HD2 LEU 89 9.339 10.084 -16.658 722 HD23 LEU 89 2HD2 LEU 89 7.868 9.208 -16.251 723 H GLU 90 H GLU 90 3.046 11.342 -16.575 724 HA GLU 90 HA GLU 90 1.663 11.666 -19.069 725 HB2 GLU 90 1HB GLU 90 -0.423 11.511 -17.841 726 HB3 GLU 90 2HB GLU 90 0.699 10.299 -17.235 727 HG2 GLU 90 1HG GLU 90 1.087 11.529 -15.228 728 HG3 GLU 90 2HG GLU 90 0.255 12.948 -15.843 729 H282 PNS 101 2H28 PNS 142 -13.144 -1.929 -7.159 730 H281 PNS 101 3H28 PNS 142 -12.676 -2.140 -5.477 731 H303 PNS 101 2H51 PNS 142 -13.792 -3.987 -8.523 732 H302 PNS 101 3H51 PNS 142 -14.811 -4.590 -7.220 733 H301 PNS 101 1H51 PNS 142 -13.498 -5.593 -7.853 734 H313 PNS 101 2H52 PNS 142 -12.529 -5.820 -5.507 735 H312 PNS 101 3H52 PNS 142 -12.168 -4.370 -4.568 736 H311 PNS 101 1H52 PNS 142 -13.851 -4.831 -4.876 737 H32 PNS 101 H32 PNS 142 -11.405 -3.345 -8.040 738 H33 PNS 101 H33 PNS 142 -9.686 -3.202 -6.517 739 H36 PNS 101 H36 PNS 142 -12.308 -6.434 -7.223 740 H372 PNS 101 2H37 PNS 142 -9.851 -7.648 -8.331 741 H371 PNS 101 3H37 PNS 142 -11.479 -8.328 -8.347 742 H382 PNS 101 2H38 PNS 142 -10.012 -9.529 -6.776 743 H381 PNS 101 3H38 PNS 142 -11.370 -8.768 -5.948 744 H41 PNS 101 H41 PNS 142 -10.980 -6.767 -4.807 745 H422 PNS 101 2H42 PNS 142 -8.212 -6.175 -3.955 746 H421 PNS 101 3H42 PNS 142 -9.568 -5.050 -3.920 747 H431 PNS 101 2H43 PNS 142 -9.307 -7.512 -2.170 748 H432 PNS 101 3H43 PNS 142 -9.043 -5.836 -1.652 749 H44 PNS 101 H44 PNS 142 -11.990 -7.139 -2.791 Start of MODEL 19 1 H1 MET 1 1H MET 1 13.539 8.699 2.941 2 H2 MET 1 2H MET 1 12.489 10.007 2.722 3 H3 MET 1 3H MET 1 13.805 9.803 1.686 4 HA MET 1 HA MET 1 11.529 7.946 1.946 5 HB2 MET 1 1HB MET 1 10.911 10.119 0.882 6 HB3 MET 1 2HB MET 1 12.176 9.886 -0.318 7 HG2 MET 1 1HG MET 1 10.087 9.285 -1.340 8 HG3 MET 1 2HG MET 1 10.970 7.786 -1.055 9 HE1 MET 1 3HE MET 1 7.304 9.214 1.368 10 HE2 MET 1 1HE MET 1 7.897 9.998 -0.095 11 HE3 MET 1 2HE MET 1 8.836 10.087 1.397 12 H ASP 2 H ASP 2 13.149 6.318 2.230 13 HA ASP 2 HA ASP 2 14.858 5.577 -0.031 14 HB2 ASP 2 1HB ASP 2 15.563 5.386 2.437 15 HB3 ASP 2 2HB ASP 2 14.396 4.083 2.605 16 H GLY 3 H GLY 3 14.734 3.157 -0.685 17 HA2 GLY 3 1HA GLY 3 12.272 2.355 -1.716 18 HA3 GLY 3 2HA GLY 3 13.646 1.294 -1.436 19 H GLU 4 H GLU 4 13.959 1.038 1.185 20 HA GLU 4 HA GLU 4 11.863 -0.672 2.038 21 HB2 GLU 4 1HB GLU 4 13.054 -0.887 4.158 22 HB3 GLU 4 2HB GLU 4 14.202 -0.950 2.826 23 HG2 GLU 4 1HG GLU 4 14.959 1.296 3.270 24 HG3 GLU 4 2HG GLU 4 13.687 1.550 4.462 25 H GLU 5 H GLU 5 12.567 2.719 2.716 26 HA GLU 5 HA GLU 5 10.758 3.174 4.793 27 HB2 GLU 5 1HB GLU 5 12.008 4.938 2.708 28 HB3 GLU 5 2HB GLU 5 10.673 5.592 3.640 29 HG2 GLU 5 1HG GLU 5 11.975 5.069 5.730 30 HG3 GLU 5 2HG GLU 5 13.338 4.624 4.703 31 H VAL 6 H VAL 6 10.266 3.527 1.240 32 HA VAL 6 HA VAL 6 7.635 4.398 1.160 33 HB VAL 6 HB VAL 6 9.102 2.504 -0.732 34 HG11 VAL 6 1HG1 VAL 6 6.377 3.777 -1.202 35 HG12 VAL 6 2HG1 VAL 6 6.714 2.054 -1.050 36 HG13 VAL 6 3HG1 VAL 6 7.333 2.955 -2.437 37 HG21 VAL 6 3HG2 VAL 6 10.030 4.780 -0.596 38 HG22 VAL 6 1HG2 VAL 6 8.448 5.470 -0.972 39 HG23 VAL 6 2HG2 VAL 6 9.303 4.508 -2.179 40 H LYS 7 H LYS 7 8.739 1.018 1.238 41 HA LYS 7 HA LYS 7 6.210 -0.216 1.260 42 HB2 LYS 7 1HB LYS 7 8.950 -1.155 2.168 43 HB3 LYS 7 2HB LYS 7 7.547 -2.186 2.333 44 HG2 LYS 7 1HG LYS 7 8.098 -2.955 0.268 45 HG3 LYS 7 2HG LYS 7 7.327 -1.486 -0.317 46 HD2 LYS 7 1HD LYS 7 9.437 -1.673 -1.429 47 HD3 LYS 7 2HD LYS 7 9.593 -0.368 -0.251 48 HE2 LYS 7 1HE LYS 7 11.602 -1.690 -0.148 49 HE3 LYS 7 2HE LYS 7 10.677 -2.033 1.315 50 HZ1 LYS 7 3HZ LYS 7 9.883 -4.065 0.283 51 HZ2 LYS 7 1HZ LYS 7 11.566 -4.041 0.347 52 HZ3 LYS 7 2HZ LYS 7 10.776 -3.741 -1.117 53 H GLU 8 H GLU 8 8.405 0.522 4.000 54 HA GLU 8 HA GLU 8 6.689 -0.685 5.916 55 HB2 GLU 8 1HB GLU 8 8.237 0.019 7.586 56 HB3 GLU 8 2HB GLU 8 9.198 -0.378 6.171 57 HG2 GLU 8 1HG GLU 8 9.495 1.982 5.656 58 HG3 GLU 8 2HG GLU 8 8.418 2.441 6.975 59 H LYS 9 H LYS 9 6.952 2.614 4.715 60 HA LYS 9 HA LYS 9 5.508 4.094 6.590 61 HB2 LYS 9 1HB LYS 9 5.799 4.374 3.582 62 HB3 LYS 9 2HB LYS 9 4.848 5.525 4.506 63 HG2 LYS 9 1HG LYS 9 6.853 6.095 5.842 64 HG3 LYS 9 2HG LYS 9 7.799 4.949 4.892 65 HD2 LYS 9 1HD LYS 9 7.061 6.333 2.824 66 HD3 LYS 9 2HD LYS 9 6.544 7.557 3.988 67 HE2 LYS 9 1HE LYS 9 9.354 6.458 3.690 68 HE3 LYS 9 2HE LYS 9 8.801 8.031 3.128 69 HZ1 LYS 9 3HZ LYS 9 8.443 8.705 5.392 70 HZ2 LYS 9 1HZ LYS 9 10.029 8.130 5.232 71 HZ3 LYS 9 2HZ LYS 9 8.850 7.170 5.971 72 H ILE 10 H ILE 10 4.457 2.371 3.689 73 HA ILE 10 HA ILE 10 1.700 2.831 3.896 74 HB ILE 10 HB ILE 10 3.153 0.501 2.578 75 HG12 ILE 10 1HG1 ILE 10 2.149 3.083 1.293 76 HG13 ILE 10 2HG1 ILE 10 3.798 2.884 1.871 77 HG21 ILE 10 1HG2 ILE 10 1.135 0.246 1.151 78 HG22 ILE 10 2HG2 ILE 10 0.313 1.495 2.089 79 HG23 ILE 10 3HG2 ILE 10 0.755 -0.033 2.853 80 HD11 ILE 10 3HD1 ILE 10 3.680 2.580 -0.507 81 HD12 ILE 10 1HD1 ILE 10 2.479 1.302 -0.325 82 HD13 ILE 10 2HD1 ILE 10 4.125 1.059 0.269 83 H ARG 11 H ARG 11 3.712 0.092 5.182 84 HA ARG 11 HA ARG 11 1.478 -1.312 6.180 85 HB2 ARG 11 1HB ARG 11 2.889 -2.855 7.329 86 HB3 ARG 11 2HB ARG 11 3.581 -2.477 5.779 87 HG2 ARG 11 1HG ARG 11 5.383 -2.727 7.255 88 HG3 ARG 11 2HG ARG 11 5.240 -1.005 6.930 89 HD2 ARG 11 1HD ARG 11 4.632 -0.504 9.121 90 HD3 ARG 11 2HD ARG 11 3.909 -2.098 9.392 91 HE ARG 11 HE ARG 11 5.990 -2.973 9.929 92 HH11 ARG 11 1HH1 ARG 11 6.375 0.381 8.997 93 HH12 ARG 11 2HH1 ARG 11 7.987 0.490 9.638 94 HH21 ARG 11 1HH2 ARG 11 8.070 -2.842 10.731 95 HH22 ARG 11 2HH2 ARG 11 8.953 -1.349 10.624 96 H ARG 12 H ARG 12 3.253 1.285 7.570 97 HA ARG 12 HA ARG 12 2.363 0.950 10.239 98 HB2 ARG 12 1HB ARG 12 3.413 3.323 8.709 99 HB3 ARG 12 2HB ARG 12 2.962 3.441 10.396 100 HG2 ARG 12 1HG ARG 12 4.855 2.387 11.138 101 HG3 ARG 12 2HG ARG 12 4.860 1.225 9.805 102 HD2 ARG 12 1HD ARG 12 5.763 2.827 8.308 103 HD3 ARG 12 2HD ARG 12 5.609 4.136 9.479 104 HE ARG 12 HE ARG 12 7.803 2.362 9.173 105 HH11 ARG 12 1HH1 ARG 12 6.031 4.039 11.721 106 HH12 ARG 12 2HH1 ARG 12 7.386 4.061 12.797 107 HH21 ARG 12 1HH2 ARG 12 9.567 2.456 10.598 108 HH22 ARG 12 2HH2 ARG 12 9.376 3.169 12.170 109 H TYR 13 H TYR 13 1.185 2.790 7.462 110 HA TYR 13 HA TYR 13 -0.992 4.056 8.769 111 HB2 TYR 13 1HB TYR 13 -0.013 4.783 6.573 112 HB3 TYR 13 2HB TYR 13 -0.747 3.366 5.813 113 HD1 TYR 13 HD1 TYR 13 -1.793 6.184 8.094 114 HD2 TYR 13 HD2 TYR 13 -2.804 3.767 4.715 115 HE1 TYR 13 HE1 TYR 13 -3.861 7.456 7.802 116 HE2 TYR 13 HE2 TYR 13 -4.867 5.052 4.433 117 HH TYR 13 HH TYR 13 -6.404 6.375 6.002 118 H ILE 14 H ILE 14 -0.610 0.906 7.238 119 HA ILE 14 HA ILE 14 -3.324 0.069 7.298 120 HB ILE 14 HB ILE 14 -0.766 -1.582 7.426 121 HG12 ILE 14 1HG1 ILE 14 -2.498 -1.054 4.975 122 HG13 ILE 14 2HG1 ILE 14 -1.140 -0.021 5.399 123 HG21 ILE 14 1HG2 ILE 14 -3.577 -2.517 6.730 124 HG22 ILE 14 2HG2 ILE 14 -2.680 -2.933 8.192 125 HG23 ILE 14 3HG2 ILE 14 -2.108 -3.493 6.621 126 HD11 ILE 14 3HD1 ILE 14 -1.019 -2.943 4.704 127 HD12 ILE 14 1HD1 ILE 14 0.349 -1.963 5.249 128 HD13 ILE 14 2HD1 ILE 14 -0.466 -1.577 3.732 129 H MET 15 H MET 15 -0.736 0.095 9.707 130 HA MET 15 HA MET 15 -2.131 -1.366 11.743 131 HB2 MET 15 1HB MET 15 0.186 0.591 12.001 132 HB3 MET 15 2HB MET 15 -0.341 -0.538 13.245 133 HG2 MET 15 1HG MET 15 0.340 -2.423 11.908 134 HG3 MET 15 2HG MET 15 0.674 -1.380 10.531 135 HE1 MET 15 3HE MET 15 1.657 -2.330 14.138 136 HE2 MET 15 1HE MET 15 1.630 -0.568 14.305 137 HE3 MET 15 2HE MET 15 3.166 -1.440 14.395 138 H GLU 16 H GLU 16 -1.785 2.050 10.922 139 HA GLU 16 HA GLU 16 -2.972 3.102 13.309 140 HB2 GLU 16 1HB GLU 16 -2.409 4.469 10.640 141 HB3 GLU 16 2HB GLU 16 -2.902 5.304 12.108 142 HG2 GLU 16 1HG GLU 16 -0.308 3.806 11.656 143 HG3 GLU 16 2HG GLU 16 -0.509 5.552 11.782 144 H ASP 17 H ASP 17 -4.044 3.356 9.934 145 HA ASP 17 HA ASP 17 -6.690 4.182 10.712 146 HB2 ASP 17 1HB ASP 17 -5.603 5.298 8.857 147 HB3 ASP 17 2HB ASP 17 -5.349 3.774 8.016 148 H LEU 18 H LEU 18 -5.378 1.481 8.744 149 HA LEU 18 HA LEU 18 -7.914 0.494 7.975 150 HB2 LEU 18 1HB LEU 18 -5.133 -0.694 7.794 151 HB3 LEU 18 2HB LEU 18 -6.541 -1.565 7.222 152 HG LEU 18 HG LEU 18 -6.995 0.297 5.598 153 HD11 LEU 18 1HD1 LEU 18 -5.865 2.166 6.677 154 HD12 LEU 18 2HD1 LEU 18 -5.286 1.943 5.028 155 HD13 LEU 18 3HD1 LEU 18 -4.299 1.408 6.392 156 HD21 LEU 18 3HD2 LEU 18 -5.251 -0.343 4.003 157 HD22 LEU 18 1HD2 LEU 18 -5.868 -1.737 4.886 158 HD23 LEU 18 2HD2 LEU 18 -4.301 -1.047 5.312 159 H ILE 19 H ILE 19 -5.520 -0.970 10.215 160 HA ILE 19 HA ILE 19 -7.550 -2.860 11.178 161 HB ILE 19 HB ILE 19 -4.581 -2.848 11.812 162 HG12 ILE 19 1HG1 ILE 19 -6.029 -4.508 9.694 163 HG13 ILE 19 2HG1 ILE 19 -4.988 -3.129 9.356 164 HG21 ILE 19 1HG2 ILE 19 -4.920 -5.188 12.533 165 HG22 ILE 19 2HG2 ILE 19 -6.642 -5.062 12.170 166 HG23 ILE 19 3HG2 ILE 19 -5.940 -4.089 13.464 167 HD11 ILE 19 3HD1 ILE 19 -3.084 -4.343 10.311 168 HD12 ILE 19 1HD1 ILE 19 -3.818 -5.200 8.956 169 HD13 ILE 19 2HD1 ILE 19 -4.127 -5.737 10.607 170 H GLY 20 H GLY 20 -4.897 -1.592 13.144 171 HA2 GLY 20 1HA GLY 20 -5.232 0.136 14.839 172 HA3 GLY 20 2HA GLY 20 -6.867 -0.486 15.047 173 HA PRO 21 HA PRO 21 -5.385 -2.914 18.361 174 HB2 PRO 21 1HB PRO 21 -7.354 -4.940 18.412 175 HB3 PRO 21 2HB PRO 21 -7.532 -3.299 19.047 176 HG2 PRO 21 1HG PRO 21 -8.842 -4.452 16.767 177 HG3 PRO 21 2HG PRO 21 -9.038 -2.823 17.441 178 HD2 PRO 21 1HD PRO 21 -7.471 -3.682 15.087 179 HD3 PRO 21 2HD PRO 21 -8.025 -2.056 15.519 180 H SER 22 H SER 22 -6.108 -5.123 15.611 181 HA SER 22 HA SER 22 -4.370 -7.217 16.643 182 HB2 SER 22 1HB SER 22 -6.549 -7.670 15.444 183 HB3 SER 22 2HB SER 22 -5.803 -7.076 13.964 184 HG SER 22 HG SER 22 -4.254 -8.772 14.186 185 H ALA 23 H ALA 23 -3.336 -4.496 15.715 186 HA ALA 23 HA ALA 23 -1.279 -5.350 13.775 187 HB1 ALA 23 3HB ALA 23 -2.816 -3.752 12.720 188 HB2 ALA 23 1HB ALA 23 -1.246 -2.994 13.003 189 HB3 ALA 23 2HB ALA 23 -2.608 -2.629 14.067 190 H LYS 24 H LYS 24 -0.194 -6.083 15.645 191 HA LYS 24 HA LYS 24 0.601 -4.419 17.793 192 HB2 LYS 24 1HB LYS 24 2.103 -6.869 16.769 193 HB3 LYS 24 2HB LYS 24 2.173 -6.190 18.390 194 HG2 LYS 24 1HG LYS 24 -0.129 -7.661 17.108 195 HG3 LYS 24 2HG LYS 24 0.885 -8.205 18.443 196 HD2 LYS 24 1HD LYS 24 -0.031 -6.443 19.890 197 HD3 LYS 24 2HD LYS 24 -0.998 -5.814 18.555 198 HE2 LYS 24 1HE LYS 24 -2.189 -8.043 18.486 199 HE3 LYS 24 2HE LYS 24 -1.318 -8.484 19.960 200 HZ1 LYS 24 3HZ LYS 24 -3.521 -7.607 20.413 201 HZ2 LYS 24 1HZ LYS 24 -3.113 -6.142 19.673 202 HZ3 LYS 24 2HZ LYS 24 -2.318 -6.628 21.085 203 H GLU 25 H GLU 25 3.035 -4.143 18.235 204 HA GLU 25 HA GLU 25 4.041 -2.107 16.617 205 HB2 GLU 25 1HB GLU 25 5.615 -3.849 18.558 206 HB3 GLU 25 2HB GLU 25 6.061 -2.230 18.027 207 HG2 GLU 25 1HG GLU 25 4.144 -1.274 19.196 208 HG3 GLU 25 2HG GLU 25 3.571 -2.881 19.634 209 H ASP 26 H ASP 26 4.300 -5.526 16.095 210 HA ASP 26 HA ASP 26 6.175 -5.123 13.878 211 HB2 ASP 26 1HB ASP 26 7.429 -5.693 16.099 212 HB3 ASP 26 2HB ASP 26 6.715 -7.292 15.943 213 H GLU 27 H GLU 27 3.348 -5.688 13.991 214 HA GLU 27 HA GLU 27 3.044 -8.482 13.170 215 HB2 GLU 27 1HB GLU 27 1.125 -6.249 13.793 216 HB3 GLU 27 2HB GLU 27 0.575 -7.406 12.591 217 HG2 GLU 27 1HG GLU 27 1.514 -8.164 15.363 218 HG3 GLU 27 2HG GLU 27 -0.168 -7.882 14.931 219 H LEU 28 H LEU 28 2.326 -5.302 11.711 220 HA LEU 28 HA LEU 28 2.221 -6.364 9.033 221 HB2 LEU 28 1HB LEU 28 1.986 -3.565 10.191 222 HB3 LEU 28 2HB LEU 28 2.132 -3.801 8.464 223 HG LEU 28 HG LEU 28 -0.217 -3.488 9.117 224 HD11 LEU 28 1HD1 LEU 28 0.296 -6.313 8.140 225 HD12 LEU 28 2HD1 LEU 28 0.246 -4.853 7.147 226 HD13 LEU 28 3HD1 LEU 28 -1.209 -5.399 7.973 227 HD21 LEU 28 3HD2 LEU 28 0.091 -6.014 10.760 228 HD22 LEU 28 1HD2 LEU 28 -1.421 -5.147 10.463 229 HD23 LEU 28 2HD2 LEU 28 -0.137 -4.377 11.387 230 H ASP 29 H ASP 29 3.803 -6.429 7.618 231 HA ASP 29 HA ASP 29 6.422 -5.193 8.086 232 HB2 ASP 29 1HB ASP 29 5.906 -8.203 8.090 233 HB3 ASP 29 2HB ASP 29 7.488 -7.546 7.689 234 H ASP 30 H ASP 30 7.949 -6.161 6.302 235 HA ASP 30 HA ASP 30 7.127 -4.910 3.930 236 HB2 ASP 30 1HB ASP 30 9.465 -4.951 4.710 237 HB3 ASP 30 2HB ASP 30 9.525 -6.694 4.498 238 H GLN 31 H GLN 31 7.211 -8.278 4.872 239 HA GLN 31 HA GLN 31 6.223 -9.123 2.217 240 HB2 GLN 31 1HB GLN 31 8.123 -10.634 4.066 241 HB3 GLN 31 2HB GLN 31 7.368 -11.337 2.634 242 HG2 GLN 31 1HG GLN 31 8.455 -9.538 1.248 243 HG3 GLN 31 2HG GLN 31 9.298 -8.996 2.694 244 HE21 GLN 31 1HE2 GLN 31 9.104 -11.459 0.246 245 HE22 GLN 31 2HE2 GLN 31 10.594 -12.241 0.632 246 H THR 32 H THR 32 4.878 -8.238 4.724 247 HA THR 32 HA THR 32 3.293 -10.439 5.609 248 HB THR 32 HB THR 32 2.952 -7.440 5.761 249 HG1 THR 32 HG1 THR 32 3.499 -9.473 7.671 250 HG21 THR 32 3HG2 THR 32 0.666 -8.316 5.652 251 HG22 THR 32 1HG2 THR 32 1.028 -7.802 7.301 252 HG23 THR 32 2HG2 THR 32 1.046 -9.517 6.888 253 HA PRO 33 HA PRO 33 0.819 -10.595 1.771 254 HB2 PRO 33 1HB PRO 33 -0.765 -12.715 2.507 255 HB3 PRO 33 2HB PRO 33 0.914 -12.927 1.983 256 HG2 PRO 33 1HG PRO 33 -0.212 -12.927 4.752 257 HG3 PRO 33 2HG PRO 33 1.074 -13.941 4.058 258 HD2 PRO 33 1HD PRO 33 1.561 -11.733 5.652 259 HD3 PRO 33 2HD PRO 33 2.708 -12.357 4.444 260 H LEU 34 H LEU 34 -0.405 -8.722 1.818 261 HA LEU 34 HA LEU 34 -2.165 -7.915 3.843 262 HB2 LEU 34 1HB LEU 34 -2.020 -7.064 0.937 263 HB3 LEU 34 2HB LEU 34 -3.017 -6.270 2.131 264 HG LEU 34 HG LEU 34 -1.149 -4.873 1.888 265 HD11 LEU 34 1HD1 LEU 34 -1.683 -5.190 4.235 266 HD12 LEU 34 2HD1 LEU 34 0.026 -4.841 4.003 267 HD13 LEU 34 3HD1 LEU 34 -0.495 -6.495 4.344 268 HD21 LEU 34 3HD2 LEU 34 1.179 -5.498 1.917 269 HD22 LEU 34 1HD2 LEU 34 0.298 -6.317 0.627 270 HD23 LEU 34 2HD2 LEU 34 0.728 -7.198 2.097 271 H LEU 35 H LEU 35 -2.839 -9.739 0.807 272 HA LEU 35 HA LEU 35 -5.681 -9.671 1.127 273 HB2 LEU 35 1HB LEU 35 -4.005 -11.508 -0.598 274 HB3 LEU 35 2HB LEU 35 -5.754 -11.583 -0.546 275 HG LEU 35 HG LEU 35 -5.410 -10.323 -2.465 276 HD11 LEU 35 1HD1 LEU 35 -6.042 -8.016 -2.042 277 HD12 LEU 35 2HD1 LEU 35 -5.585 -8.161 -0.343 278 HD13 LEU 35 3HD1 LEU 35 -6.936 -9.102 -0.984 279 HD21 LEU 35 3HD2 LEU 35 -2.996 -10.145 -2.291 280 HD22 LEU 35 1HD2 LEU 35 -3.154 -8.837 -1.116 281 HD23 LEU 35 2HD2 LEU 35 -3.709 -8.609 -2.779 282 H GLU 36 H GLU 36 -3.191 -11.947 2.138 283 HA GLU 36 HA GLU 36 -4.885 -14.103 2.903 284 HB2 GLU 36 1HB GLU 36 -2.421 -14.273 2.473 285 HB3 GLU 36 2HB GLU 36 -2.120 -13.353 3.939 286 HG2 GLU 36 1HG GLU 36 -1.722 -15.703 4.332 287 HG3 GLU 36 2HG GLU 36 -3.113 -15.165 5.279 288 H TRP 37 H TRP 37 -3.704 -11.226 4.541 289 HA TRP 37 HA TRP 37 -4.910 -11.781 7.095 290 HB2 TRP 37 1HB TRP 37 -3.744 -9.265 5.843 291 HB3 TRP 37 2HB TRP 37 -4.468 -9.261 7.448 292 HD1 TRP 37 HD1 TRP 37 -2.002 -11.895 5.962 293 HE1 TRP 37 HE1 TRP 37 0.029 -12.044 7.506 294 HE3 TRP 37 HE3 TRP 37 -3.257 -8.221 9.300 295 HZ2 TRP 37 HZ2 TRP 37 0.989 -10.795 9.834 296 HZ3 TRP 37 HZ3 TRP 37 -1.709 -7.761 11.167 297 HH2 TRP 37 HH2 TRP 37 0.369 -9.027 11.422 298 H GLY 38 H GLY 38 -6.097 -10.494 4.080 299 HA2 GLY 38 1HA GLY 38 -8.251 -10.065 3.371 300 HA3 GLY 38 2HA GLY 38 -8.829 -10.638 4.927 301 H ILE 39 H ILE 39 -6.529 -8.085 4.709 302 HA ILE 39 HA ILE 39 -8.299 -6.306 6.198 303 HB ILE 39 HB ILE 39 -6.203 -4.981 6.621 304 HG12 ILE 39 1HG1 ILE 39 -4.894 -7.240 5.026 305 HG13 ILE 39 2HG1 ILE 39 -4.889 -5.530 4.629 306 HG21 ILE 39 1HG2 ILE 39 -6.091 -7.925 7.390 307 HG22 ILE 39 2HG2 ILE 39 -6.973 -6.654 8.240 308 HG23 ILE 39 3HG2 ILE 39 -5.213 -6.620 8.191 309 HD11 ILE 39 3HD1 ILE 39 -3.484 -5.085 6.570 310 HD12 ILE 39 1HD1 ILE 39 -2.753 -6.254 5.476 311 HD13 ILE 39 2HD1 ILE 39 -3.500 -6.803 6.974 312 H LEU 40 H LEU 40 -7.461 -6.711 2.945 313 HA LEU 40 HA LEU 40 -7.736 -3.830 2.312 314 HB2 LEU 40 1HB LEU 40 -6.708 -6.062 0.527 315 HB3 LEU 40 2HB LEU 40 -6.850 -4.372 0.069 316 HG LEU 40 HG LEU 40 -4.857 -5.657 1.948 317 HD11 LEU 40 1HD1 LEU 40 -4.244 -5.515 -0.396 318 HD12 LEU 40 2HD1 LEU 40 -3.224 -4.462 0.577 319 HD13 LEU 40 3HD1 LEU 40 -4.524 -3.769 -0.396 320 HD21 LEU 40 3HD2 LEU 40 -5.469 -2.679 1.882 321 HD22 LEU 40 1HD2 LEU 40 -4.068 -3.425 2.664 322 HD23 LEU 40 2HD2 LEU 40 -5.692 -3.774 3.249 323 H ASN 41 H ASN 41 -9.781 -3.399 2.201 324 HA ASN 41 HA ASN 41 -11.606 -4.795 0.341 325 HB2 ASN 41 1HB ASN 41 -12.405 -3.699 3.094 326 HB3 ASN 41 2HB ASN 41 -13.444 -4.551 1.959 327 HD21 ASN 41 1HD2 ASN 41 -10.854 -4.885 4.276 328 HD22 ASN 41 2HD2 ASN 41 -10.973 -6.600 4.462 329 H SER 42 H SER 42 -13.596 -3.265 -0.071 330 HA SER 42 HA SER 42 -12.694 -1.007 -1.438 331 HB2 SER 42 2HB SER 42 -15.510 -1.760 -0.533 332 HB3 SER 42 1HB SER 42 -15.183 -0.366 -1.563 333 H MET 43 H MET 43 -13.784 -1.264 1.880 334 HA MET 43 HA MET 43 -14.443 1.453 2.344 335 HB2 MET 43 1HB MET 43 -15.162 -0.480 3.783 336 HB3 MET 43 2HB MET 43 -13.508 -0.640 4.359 337 HG2 MET 43 1HG MET 43 -14.748 0.497 6.048 338 HG3 MET 43 2HG MET 43 -13.701 1.696 5.300 339 HE1 MET 43 3HE MET 43 -14.996 3.166 2.950 340 HE2 MET 43 1HE MET 43 -14.566 3.981 4.456 341 HE3 MET 43 2HE MET 43 -16.155 4.234 3.741 342 H ASN 44 H ASN 44 -11.515 -0.432 3.065 343 HA ASN 44 HA ASN 44 -10.106 1.932 4.036 344 HB2 ASN 44 1HB ASN 44 -8.401 0.363 4.814 345 HB3 ASN 44 2HB ASN 44 -10.000 -0.114 5.367 346 HD21 ASN 44 1HD2 ASN 44 -7.359 -0.896 3.223 347 HD22 ASN 44 2HD2 ASN 44 -7.846 -2.515 2.919 348 H ILE 45 H ILE 45 -10.353 0.259 1.069 349 HA ILE 45 HA ILE 45 -7.702 0.242 0.132 350 HB ILE 45 HB ILE 45 -9.604 -1.011 -0.949 351 HG12 ILE 45 1HG1 ILE 45 -8.835 -0.660 -3.350 352 HG13 ILE 45 2HG1 ILE 45 -7.900 0.722 -2.789 353 HG21 ILE 45 1HG2 ILE 45 -11.071 0.052 -2.586 354 HG22 ILE 45 2HG2 ILE 45 -10.351 1.628 -2.251 355 HG23 ILE 45 3HG2 ILE 45 -11.283 0.803 -1.004 356 HD11 ILE 45 3HD1 ILE 45 -6.543 -1.245 -3.084 357 HD12 ILE 45 1HD1 ILE 45 -7.538 -2.132 -1.926 358 HD13 ILE 45 2HD1 ILE 45 -6.570 -0.751 -1.390 359 H VAL 46 H VAL 46 -10.205 2.757 -0.042 360 HA VAL 46 HA VAL 46 -8.882 4.498 -1.845 361 HB VAL 46 HB VAL 46 -10.535 6.239 -1.085 362 HG11 VAL 46 1HG1 VAL 46 -11.762 3.525 -1.731 363 HG12 VAL 46 2HG1 VAL 46 -11.123 4.681 -2.900 364 HG13 VAL 46 3HG1 VAL 46 -12.552 5.093 -1.950 365 HG21 VAL 46 3HG2 VAL 46 -12.327 5.644 0.530 366 HG22 VAL 46 1HG2 VAL 46 -10.741 5.619 1.304 367 HG23 VAL 46 2HG2 VAL 46 -11.529 4.104 0.861 368 H LYS 47 H LYS 47 -8.737 4.123 1.677 369 HA LYS 47 HA LYS 47 -7.315 6.542 2.185 370 HB2 LYS 47 1HB LYS 47 -7.815 4.086 3.875 371 HB3 LYS 47 2HB LYS 47 -6.650 5.295 4.396 372 HG2 LYS 47 1HG LYS 47 -8.542 6.068 5.481 373 HG3 LYS 47 2HG LYS 47 -8.624 6.998 3.986 374 HD2 LYS 47 1HD LYS 47 -10.832 6.214 4.311 375 HD3 LYS 47 2HD LYS 47 -10.162 5.120 3.098 376 HE2 LYS 47 1HE LYS 47 -11.437 3.893 4.791 377 HE3 LYS 47 2HE LYS 47 -9.733 3.442 4.838 378 HZ1 LYS 47 3HZ LYS 47 -11.058 5.351 6.686 379 HZ2 LYS 47 1HZ LYS 47 -9.431 4.886 6.733 380 HZ3 LYS 47 2HZ LYS 47 -10.642 3.755 7.042 381 H LEU 48 H LEU 48 -6.266 3.276 1.286 382 HA LEU 48 HA LEU 48 -3.458 3.860 1.560 383 HB2 LEU 48 1HB LEU 48 -4.941 1.713 -0.006 384 HB3 LEU 48 2HB LEU 48 -3.191 1.849 -0.022 385 HG LEU 48 HG LEU 48 -4.938 1.207 2.382 386 HD11 LEU 48 1HD1 LEU 48 -3.777 -0.947 2.384 387 HD12 LEU 48 2HD1 LEU 48 -2.875 -0.486 0.937 388 HD13 LEU 48 3HD1 LEU 48 -4.629 -0.685 0.862 389 HD21 LEU 48 3HD2 LEU 48 -2.867 0.991 3.696 390 HD22 LEU 48 1HD2 LEU 48 -3.084 2.641 3.117 391 HD23 LEU 48 2HD2 LEU 48 -1.919 1.577 2.326 392 H MET 49 H MET 49 -5.765 3.941 -1.141 393 HA MET 49 HA MET 49 -3.982 4.566 -3.207 394 HB2 MET 49 1HB MET 49 -6.957 5.132 -2.909 395 HB3 MET 49 2HB MET 49 -6.074 5.304 -4.422 396 HG2 MET 49 1HG MET 49 -5.736 2.974 -4.629 397 HG3 MET 49 2HG MET 49 -6.087 2.679 -2.927 398 HE1 MET 49 3HE MET 49 -9.317 3.731 -6.045 399 HE2 MET 49 1HE MET 49 -7.620 3.475 -6.453 400 HE3 MET 49 2HE MET 49 -8.100 4.885 -5.503 401 H VAL 50 H VAL 50 -5.574 6.688 -0.860 402 HA VAL 50 HA VAL 50 -4.608 9.146 -2.109 403 HB VAL 50 HB VAL 50 -5.604 10.380 -0.275 404 HG11 VAL 50 1HG1 VAL 50 -7.516 8.173 -1.114 405 HG12 VAL 50 2HG1 VAL 50 -7.159 9.634 -2.029 406 HG13 VAL 50 3HG1 VAL 50 -7.971 9.753 -0.470 407 HG21 VAL 50 3HG2 VAL 50 -4.977 8.953 1.616 408 HG22 VAL 50 1HG2 VAL 50 -6.118 7.714 1.093 409 HG23 VAL 50 2HG2 VAL 50 -6.711 9.276 1.661 410 H TYR 51 H TYR 51 -3.621 6.926 0.441 411 HA TYR 51 HA TYR 51 -1.785 8.588 1.819 412 HB2 TYR 51 1HB TYR 51 -2.688 6.518 2.811 413 HB3 TYR 51 2HB TYR 51 -1.871 5.549 1.588 414 HD1 TYR 51 HD1 TYR 51 -1.303 7.836 4.479 415 HD2 TYR 51 HD2 TYR 51 0.451 4.906 1.892 416 HE1 TYR 51 HE1 TYR 51 0.694 7.764 5.902 417 HE2 TYR 51 HE2 TYR 51 2.434 4.833 3.331 418 HH TYR 51 HH TYR 51 3.570 6.420 4.918 419 H ILE 52 H ILE 52 -1.232 5.988 -0.564 420 HA ILE 52 HA ILE 52 1.448 6.489 -1.178 421 HB ILE 52 HB ILE 52 -0.781 5.124 -2.755 422 HG12 ILE 52 1HG1 ILE 52 0.656 3.041 -2.347 423 HG13 ILE 52 2HG1 ILE 52 1.685 4.022 -1.320 424 HG21 ILE 52 1HG2 ILE 52 2.110 5.298 -3.670 425 HG22 ILE 52 2HG2 ILE 52 0.725 6.052 -4.455 426 HG23 ILE 52 3HG2 ILE 52 0.855 4.296 -4.407 427 HD11 ILE 52 3HD1 ILE 52 -1.224 3.383 -0.829 428 HD12 ILE 52 1HD1 ILE 52 -0.177 4.334 0.232 429 HD13 ILE 52 2HD1 ILE 52 0.169 2.625 -0.046 430 H ARG 53 H ARG 53 -1.537 7.963 -2.424 431 HA ARG 53 HA ARG 53 -0.496 9.430 -4.598 432 HB2 ARG 53 1HB ARG 53 -2.912 9.101 -4.294 433 HB3 ARG 53 2HB ARG 53 -2.883 10.052 -2.815 434 HG2 ARG 53 1HG ARG 53 -2.149 12.037 -4.228 435 HG3 ARG 53 2HG ARG 53 -2.464 11.045 -5.651 436 HD2 ARG 53 1HD ARG 53 -4.825 10.858 -5.032 437 HD3 ARG 53 2HD ARG 53 -4.522 11.751 -3.534 438 HE ARG 53 HE ARG 53 -3.878 13.058 -6.079 439 HH11 ARG 53 1HH1 ARG 53 -6.098 12.892 -3.356 440 HH12 ARG 53 2HH1 ARG 53 -6.801 14.439 -3.694 441 HH21 ARG 53 1HH2 ARG 53 -4.790 15.089 -6.471 442 HH22 ARG 53 2HH2 ARG 53 -6.063 15.672 -5.450 443 H ASP 54 H ASP 54 -0.432 10.115 -1.141 444 HA ASP 54 HA ASP 54 0.530 12.857 -1.637 445 HB2 ASP 54 1HB ASP 54 -1.309 12.494 0.027 446 HB3 ASP 54 2HB ASP 54 -0.191 11.561 1.019 447 H GLU 55 H GLU 55 1.469 10.005 0.273 448 HA GLU 55 HA GLU 55 4.003 10.928 1.098 449 HB2 GLU 55 1HB GLU 55 2.858 8.114 0.952 450 HB3 GLU 55 2HB GLU 55 4.370 8.514 1.760 451 HG2 GLU 55 1HG GLU 55 1.720 9.760 2.526 452 HG3 GLU 55 2HG GLU 55 2.323 8.265 3.235 453 H MET 56 H MET 56 3.292 8.258 -1.249 454 HA MET 56 HA MET 56 5.947 8.373 -2.391 455 HB2 MET 56 1HB MET 56 3.439 6.891 -3.260 456 HB3 MET 56 2HB MET 56 4.936 6.817 -4.173 457 HG2 MET 56 1HG MET 56 5.022 4.874 -2.957 458 HG3 MET 56 2HG MET 56 5.946 5.957 -1.923 459 HE1 MET 56 3HE MET 56 4.203 5.616 1.359 460 HE2 MET 56 1HE MET 56 5.026 6.862 0.417 461 HE3 MET 56 2HE MET 56 5.692 5.228 0.492 462 H GLY 57 H GLY 57 2.961 10.019 -2.962 463 HA2 GLY 57 1HA GLY 57 2.372 11.714 -4.398 464 HA3 GLY 57 2HA GLY 57 4.012 11.713 -5.036 465 H VAL 58 H VAL 58 1.611 9.087 -4.926 466 HA VAL 58 HA VAL 58 1.644 8.839 -7.875 467 HB VAL 58 HB VAL 58 2.217 6.550 -5.933 468 HG11 VAL 58 1HG1 VAL 58 0.955 5.769 -7.883 469 HG12 VAL 58 2HG1 VAL 58 2.612 5.173 -7.949 470 HG13 VAL 58 3HG1 VAL 58 2.123 6.523 -8.973 471 HG21 VAL 58 3HG2 VAL 58 4.131 7.941 -7.845 472 HG22 VAL 58 1HG2 VAL 58 4.487 6.464 -6.944 473 HG23 VAL 58 2HG2 VAL 58 4.190 7.972 -6.082 474 H SER 59 H SER 59 -0.422 8.579 -8.593 475 HA SER 59 HA SER 59 -2.544 7.730 -6.756 476 HB2 SER 59 1HB SER 59 -2.702 8.730 -9.632 477 HB3 SER 59 2HB SER 59 -4.087 8.388 -8.591 478 HG SER 59 HG SER 59 -2.128 10.103 -7.605 479 H ILE 60 H ILE 60 -3.341 5.711 -6.699 480 HA ILE 60 HA ILE 60 -2.664 3.726 -8.765 481 HB ILE 60 HB ILE 60 -4.126 3.271 -6.119 482 HG12 ILE 60 1HG1 ILE 60 -1.157 2.830 -6.708 483 HG13 ILE 60 2HG1 ILE 60 -1.804 4.140 -5.728 484 HG21 ILE 60 1HG2 ILE 60 -4.556 1.512 -7.803 485 HG22 ILE 60 2HG2 ILE 60 -3.595 0.879 -6.467 486 HG23 ILE 60 3HG2 ILE 60 -2.820 1.263 -8.005 487 HD11 ILE 60 3HD1 ILE 60 -0.884 2.396 -4.330 488 HD12 ILE 60 1HD1 ILE 60 -1.939 1.191 -5.071 489 HD13 ILE 60 2HD1 ILE 60 -2.628 2.490 -4.095 490 HA PRO 61 HA PRO 61 -6.942 4.488 -10.321 491 HB2 PRO 61 1HB PRO 61 -6.779 2.904 -12.562 492 HB3 PRO 61 2HB PRO 61 -6.048 4.522 -12.482 493 HG2 PRO 61 1HG PRO 61 -4.723 1.848 -12.085 494 HG3 PRO 61 2HG PRO 61 -4.176 3.239 -13.056 495 HD2 PRO 61 1HD PRO 61 -3.190 2.771 -10.572 496 HD3 PRO 61 2HD PRO 61 -3.417 4.423 -11.188 497 H SER 62 H SER 62 -8.828 3.189 -10.612 498 HA SER 62 HA SER 62 -9.111 0.993 -8.823 499 HB2 SER 62 1HB SER 62 -11.499 0.959 -9.763 500 HB3 SER 62 2HB SER 62 -10.977 2.485 -9.050 501 HG SER 62 HG SER 62 -11.178 3.412 -10.918 502 H THR 63 H THR 63 -8.408 1.216 -12.214 503 HA THR 63 HA THR 63 -9.046 -1.503 -12.914 504 HB THR 63 HB THR 63 -9.003 0.403 -14.579 505 HG1 THR 63 HG1 THR 63 -8.857 -1.227 -15.888 506 HG21 THR 63 3HG2 THR 63 -6.870 1.129 -15.552 507 HG22 THR 63 1HG2 THR 63 -5.980 0.140 -14.390 508 HG23 THR 63 2HG2 THR 63 -6.919 1.525 -13.833 509 H HIS 64 H HIS 64 -6.601 -0.231 -10.984 510 HA HIS 64 HA HIS 64 -4.840 -2.568 -11.440 511 HB2 HIS 64 1HB HIS 64 -4.134 0.323 -11.024 512 HB3 HIS 64 2HB HIS 64 -3.116 -0.851 -10.200 513 HD1 HIS 64 HD1 HIS 64 -4.564 -1.347 -13.684 514 HD2 HIS 64 HD2 HIS 64 -0.909 -0.705 -11.808 515 HE1 HIS 64 HE1 HIS 64 -2.819 -1.718 -15.455 516 HE2 HIS 64 HE2 HIS 64 -0.632 -1.204 -14.319 517 H ILE 65 H ILE 65 -7.183 -1.608 -9.444 518 HA ILE 65 HA ILE 65 -6.012 -2.419 -6.906 519 HB ILE 65 HB ILE 65 -8.974 -2.133 -7.614 520 HG12 ILE 65 1HG1 ILE 65 -7.816 0.033 -7.893 521 HG13 ILE 65 2HG1 ILE 65 -8.878 0.089 -6.495 522 HG21 ILE 65 1HG2 ILE 65 -9.342 -2.014 -5.153 523 HG22 ILE 65 2HG2 ILE 65 -7.627 -2.331 -4.886 524 HG23 ILE 65 3HG2 ILE 65 -8.644 -3.560 -5.640 525 HD11 ILE 65 3HD1 ILE 65 -6.926 -0.191 -5.029 526 HD12 ILE 65 1HD1 ILE 65 -6.805 1.232 -6.064 527 HD13 ILE 65 2HD1 ILE 65 -5.881 -0.217 -6.452 528 H THR 66 H THR 66 -5.106 -4.421 -7.351 529 HA THR 66 HA THR 66 -6.865 -6.722 -7.575 530 HB THR 66 HB THR 66 -6.622 -6.188 -9.934 531 HG1 THR 66 HG1 THR 66 -6.622 -8.331 -9.768 532 HG21 THR 66 3HG2 THR 66 -4.552 -4.854 -9.868 533 HG22 THR 66 1HG2 THR 66 -4.435 -6.137 -11.074 534 HG23 THR 66 2HG2 THR 66 -3.615 -6.308 -9.522 535 H GLY 67 H GLY 67 -5.806 -8.718 -7.126 536 HA2 GLY 67 1HA GLY 67 -4.307 -8.397 -4.751 537 HA3 GLY 67 2HA GLY 67 -4.818 -9.916 -5.463 538 H LYS 68 H LYS 68 -3.247 -9.130 -7.985 539 HA LYS 68 HA LYS 68 -0.776 -10.397 -7.395 540 HB2 LYS 68 1HB LYS 68 -0.138 -9.714 -9.733 541 HB3 LYS 68 2HB LYS 68 -1.700 -10.521 -9.636 542 HG2 LYS 68 1HG LYS 68 -2.811 -8.282 -9.712 543 HG3 LYS 68 2HG LYS 68 -1.232 -7.538 -9.949 544 HD2 LYS 68 1HD LYS 68 -2.413 -9.607 -11.845 545 HD3 LYS 68 2HD LYS 68 -2.645 -7.873 -12.041 546 HE2 LYS 68 1HE LYS 68 -0.874 -8.517 -13.519 547 HE3 LYS 68 2HE LYS 68 -0.128 -7.638 -12.189 548 HZ1 LYS 68 3HZ LYS 68 -0.195 -10.594 -12.486 549 HZ2 LYS 68 1HZ LYS 68 0.554 -9.742 -11.232 550 HZ3 LYS 68 2HZ LYS 68 1.128 -9.594 -12.810 551 H TYR 69 H TYR 69 -1.748 -7.011 -7.547 552 HA TYR 69 HA TYR 69 0.974 -5.976 -7.212 553 HB2 TYR 69 1HB TYR 69 -1.711 -4.578 -7.558 554 HB3 TYR 69 2HB TYR 69 -0.172 -3.732 -7.410 555 HD1 TYR 69 HD1 TYR 69 1.464 -5.693 -9.201 556 HD2 TYR 69 HD2 TYR 69 -2.320 -3.765 -9.738 557 HE1 TYR 69 HE1 TYR 69 1.776 -5.744 -11.637 558 HE2 TYR 69 HE2 TYR 69 -2.010 -3.834 -12.166 559 HH TYR 69 HH TYR 69 0.468 -5.646 -13.679 560 H PHE 70 H PHE 70 -1.945 -6.532 -5.366 561 HA PHE 70 HA PHE 70 -0.995 -4.905 -3.099 562 HB2 PHE 70 1HB PHE 70 -3.707 -6.039 -3.856 563 HB3 PHE 70 2HB PHE 70 -3.394 -5.423 -2.236 564 HD1 PHE 70 HD1 PHE 70 -3.499 -4.444 -5.839 565 HD2 PHE 70 HD2 PHE 70 -3.343 -3.054 -1.798 566 HE1 PHE 70 HE1 PHE 70 -3.901 -2.147 -6.601 567 HE2 PHE 70 HE2 PHE 70 -3.752 -0.763 -2.575 568 HZ PHE 70 HZ PHE 70 -4.026 -0.306 -4.976 569 H LYS 71 H LYS 71 -0.131 -7.711 -3.989 570 HA LYS 71 HA LYS 71 -0.998 -9.689 -2.183 571 HB2 LYS 71 1HB LYS 71 0.134 -10.042 -4.389 572 HB3 LYS 71 2HB LYS 71 1.646 -9.460 -3.705 573 HG2 LYS 71 1HG LYS 71 1.664 -11.389 -2.146 574 HG3 LYS 71 2HG LYS 71 0.156 -11.963 -2.855 575 HD2 LYS 71 1HD LYS 71 2.804 -11.653 -4.335 576 HD3 LYS 71 2HD LYS 71 2.111 -13.177 -3.776 577 HE2 LYS 71 1HE LYS 71 0.213 -12.914 -5.303 578 HE3 LYS 71 2HE LYS 71 0.803 -11.330 -5.807 579 HZ1 LYS 71 3HZ LYS 71 2.726 -12.366 -6.761 580 HZ2 LYS 71 1HZ LYS 71 1.324 -13.062 -7.394 581 HZ3 LYS 71 2HZ LYS 71 2.228 -13.891 -6.233 582 H ASP 72 H ASP 72 1.965 -7.766 -2.227 583 HA ASP 72 HA ASP 72 2.131 -7.627 0.656 584 HB2 ASP 72 1HB ASP 72 4.397 -8.523 0.849 585 HB3 ASP 72 2HB ASP 72 3.361 -9.755 0.137 586 H LEU 73 H LEU 73 4.264 -6.263 1.150 587 HA LEU 73 HA LEU 73 3.722 -3.745 -0.032 588 HB2 LEU 73 1HB LEU 73 5.908 -4.696 1.815 589 HB3 LEU 73 2HB LEU 73 5.799 -3.026 1.284 590 HG LEU 73 HG LEU 73 3.702 -4.498 2.912 591 HD11 LEU 73 1HD1 LEU 73 5.718 -2.365 3.647 592 HD12 LEU 73 2HD1 LEU 73 5.684 -4.039 4.200 593 HD13 LEU 73 3HD1 LEU 73 4.412 -2.933 4.683 594 HD21 LEU 73 3HD2 LEU 73 2.664 -2.853 1.398 595 HD22 LEU 73 1HD2 LEU 73 3.773 -1.602 1.968 596 HD23 LEU 73 2HD2 LEU 73 2.579 -2.300 3.069 597 H ASN 74 H ASN 74 6.215 -6.147 -0.704 598 HA ASN 74 HA ASN 74 7.893 -4.420 -2.213 599 HB2 ASN 74 1HB ASN 74 7.530 -7.443 -2.400 600 HB3 ASN 74 2HB ASN 74 8.787 -6.558 -3.239 601 HD21 ASN 74 1HD2 ASN 74 7.643 -7.675 -0.147 602 HD22 ASN 74 2HD2 ASN 74 9.095 -7.385 0.730 603 H ALA 75 H ALA 75 5.146 -6.498 -2.994 604 HA ALA 75 HA ALA 75 5.042 -6.023 -5.802 605 HB1 ALA 75 3HB ALA 75 4.033 -7.992 -4.723 606 HB2 ALA 75 1HB ALA 75 2.840 -7.095 -5.668 607 HB3 ALA 75 2HB ALA 75 2.864 -6.949 -3.908 608 H ILE 76 H ILE 76 3.621 -4.392 -2.987 609 HA ILE 76 HA ILE 76 1.892 -2.576 -4.291 610 HB ILE 76 HB ILE 76 3.441 -2.244 -1.673 611 HG12 ILE 76 1HG1 ILE 76 1.696 -4.090 -1.725 612 HG13 ILE 76 2HG1 ILE 76 1.405 -2.860 -0.504 613 HG21 ILE 76 1HG2 ILE 76 2.905 -0.011 -2.496 614 HG22 ILE 76 2HG2 ILE 76 1.866 -0.382 -1.122 615 HG23 ILE 76 3HG2 ILE 76 1.219 -0.467 -2.761 616 HD11 ILE 76 3HD1 ILE 76 -0.634 -3.550 -1.598 617 HD12 ILE 76 1HD1 ILE 76 0.008 -3.066 -3.165 618 HD13 ILE 76 2HD1 ILE 76 -0.304 -1.850 -1.921 619 H SER 77 H SER 77 5.286 -2.236 -3.235 620 HA SER 77 HA SER 77 5.533 0.485 -4.021 621 HB2 SER 77 1HB SER 77 7.972 0.152 -3.509 622 HB3 SER 77 2HB SER 77 6.911 -0.388 -2.210 623 HG SER 77 HG SER 77 7.287 -2.482 -2.760 624 H ARG 78 H ARG 78 6.306 -2.593 -5.613 625 HA ARG 78 HA ARG 78 7.914 -1.505 -7.677 626 HB2 ARG 78 1HB ARG 78 7.862 -3.652 -8.741 627 HB3 ARG 78 2HB ARG 78 7.900 -3.948 -7.008 628 HG2 ARG 78 1HG ARG 78 5.472 -4.390 -7.034 629 HG3 ARG 78 2HG ARG 78 5.443 -4.115 -8.775 630 HD2 ARG 78 1HD ARG 78 7.006 -6.292 -7.361 631 HD3 ARG 78 2HD ARG 78 5.463 -6.514 -8.191 632 HE ARG 78 HE ARG 78 6.902 -5.532 -10.183 633 HH11 ARG 78 1HH1 ARG 78 7.833 -7.993 -7.850 634 HH12 ARG 78 2HH1 ARG 78 8.901 -8.799 -8.953 635 HH21 ARG 78 1HH2 ARG 78 8.283 -6.639 -11.622 636 HH22 ARG 78 2HH2 ARG 78 9.154 -8.036 -11.078 637 H THR 79 H THR 79 4.408 -2.182 -7.434 638 HA THR 79 HA THR 79 3.873 -1.415 -10.155 639 HB THR 79 HB THR 79 2.367 -3.021 -8.843 640 HG1 THR 79 HG1 THR 79 1.358 -0.765 -10.242 641 HG21 THR 79 3HG2 THR 79 2.083 -1.711 -6.753 642 HG22 THR 79 1HG2 THR 79 0.532 -2.069 -7.516 643 HG23 THR 79 2HG2 THR 79 1.230 -0.454 -7.664 644 H VAL 80 H VAL 80 4.042 0.205 -7.042 645 HA VAL 80 HA VAL 80 2.761 2.660 -7.741 646 HB VAL 80 HB VAL 80 4.695 1.859 -5.530 647 HG11 VAL 80 1HG1 VAL 80 5.230 4.212 -5.999 648 HG12 VAL 80 2HG1 VAL 80 4.415 4.056 -4.443 649 HG13 VAL 80 3HG1 VAL 80 3.524 4.644 -5.849 650 HG21 VAL 80 3HG2 VAL 80 1.770 2.702 -5.437 651 HG22 VAL 80 1HG2 VAL 80 2.740 2.206 -4.049 652 HG23 VAL 80 2HG2 VAL 80 2.373 1.049 -5.328 653 H GLU 81 H GLU 81 6.123 1.507 -7.956 654 HA GLU 81 HA GLU 81 7.348 3.893 -8.874 655 HB2 GLU 81 1HB GLU 81 8.028 0.959 -9.299 656 HB3 GLU 81 2HB GLU 81 9.073 2.268 -9.845 657 HG2 GLU 81 1HG GLU 81 9.469 3.000 -7.602 658 HG3 GLU 81 2HG GLU 81 8.247 1.918 -6.951 659 H GLN 82 H GLN 82 5.738 1.237 -10.536 660 HA GLN 82 HA GLN 82 6.151 2.133 -13.211 661 HB2 GLN 82 1HB GLN 82 5.588 -0.206 -12.737 662 HB3 GLN 82 2HB GLN 82 4.054 0.266 -12.017 663 HG2 GLN 82 1HG GLN 82 3.793 -0.701 -14.283 664 HG3 GLN 82 2HG GLN 82 3.187 0.951 -14.188 665 HE21 GLN 82 1HE2 GLN 82 4.247 2.580 -15.363 666 HE22 GLN 82 2HE2 GLN 82 5.453 2.245 -16.542 667 H LEU 83 H LEU 83 3.511 2.503 -10.905 668 HA LEU 83 HA LEU 83 1.721 3.950 -12.571 669 HB2 LEU 83 1HB LEU 83 1.876 3.509 -9.571 670 HB3 LEU 83 2HB LEU 83 0.595 4.460 -10.301 671 HG LEU 83 HG LEU 83 1.135 1.520 -10.873 672 HD11 LEU 83 1HD1 LEU 83 0.282 1.815 -8.611 673 HD12 LEU 83 2HD1 LEU 83 -0.918 1.041 -9.642 674 HD13 LEU 83 3HD1 LEU 83 -1.088 2.748 -9.224 675 HD21 LEU 83 3HD2 LEU 83 -1.021 1.557 -12.066 676 HD22 LEU 83 1HD2 LEU 83 0.188 2.588 -12.825 677 HD23 LEU 83 2HD2 LEU 83 -1.104 3.307 -11.861 678 H LYS 84 H LYS 84 4.448 4.883 -10.627 679 HA LYS 84 HA LYS 84 3.903 7.687 -10.439 680 HB2 LYS 84 1HB LYS 84 5.511 6.495 -8.955 681 HB3 LYS 84 2HB LYS 84 6.564 6.193 -10.327 682 HG2 LYS 84 1HG LYS 84 7.215 8.475 -10.484 683 HG3 LYS 84 2HG LYS 84 5.844 9.021 -9.514 684 HD2 LYS 84 1HD LYS 84 7.984 9.138 -8.257 685 HD3 LYS 84 2HD LYS 84 6.819 8.056 -7.493 686 HE2 LYS 84 1HE LYS 84 9.029 7.045 -7.411 687 HE3 LYS 84 2HE LYS 84 8.026 6.109 -8.517 688 HZ1 LYS 84 3HZ LYS 84 10.195 6.439 -9.443 689 HZ2 LYS 84 1HZ LYS 84 10.082 8.118 -9.267 690 HZ3 LYS 84 2HZ LYS 84 9.078 7.313 -10.363 691 H ALA 85 H ALA 85 5.503 5.568 -12.745 692 HA ALA 85 HA ALA 85 6.467 7.591 -14.536 693 HB1 ALA 85 3HB ALA 85 7.462 5.329 -14.455 694 HB2 ALA 85 1HB ALA 85 6.886 5.710 -16.081 695 HB3 ALA 85 2HB ALA 85 5.948 4.634 -15.040 696 H GLU 86 H GLU 86 3.509 5.739 -14.175 697 HA GLU 86 HA GLU 86 2.283 6.455 -16.671 698 HB2 GLU 86 1HB GLU 86 0.986 5.375 -14.126 699 HB3 GLU 86 2HB GLU 86 0.259 5.396 -15.730 700 HG2 GLU 86 1HG GLU 86 2.767 3.861 -14.991 701 HG3 GLU 86 2HG GLU 86 1.170 3.153 -15.044 702 H SER 87 H SER 87 2.062 7.660 -13.329 703 HA SER 87 HA SER 87 0.156 9.709 -13.802 704 HB2 SER 87 1HB SER 87 2.273 9.452 -11.610 705 HB3 SER 87 2HB SER 87 0.993 10.666 -11.616 706 HG SER 87 HG SER 87 0.124 8.064 -11.955 707 H ALA 88 H ALA 88 3.659 9.483 -14.168 708 HA ALA 88 HA ALA 88 4.237 12.252 -14.509 709 HB1 ALA 88 3HB ALA 88 5.823 9.851 -15.481 710 HB2 ALA 88 1HB ALA 88 5.977 10.614 -13.897 711 HB3 ALA 88 2HB ALA 88 6.422 11.508 -15.353 712 H LEU 89 H LEU 89 3.034 9.763 -16.678 713 HA LEU 89 HA LEU 89 3.477 11.034 -19.187 714 HB2 LEU 89 1HB LEU 89 1.268 9.117 -18.320 715 HB3 LEU 89 2HB LEU 89 1.591 9.561 -19.989 716 HG LEU 89 HG LEU 89 3.455 8.008 -18.169 717 HD11 LEU 89 1HD1 LEU 89 1.876 7.038 -20.562 718 HD12 LEU 89 2HD1 LEU 89 1.533 6.676 -18.868 719 HD13 LEU 89 3HD1 LEU 89 3.020 6.088 -19.606 720 HD21 LEU 89 3HD2 LEU 89 4.773 9.378 -19.696 721 HD22 LEU 89 1HD2 LEU 89 3.852 8.779 -21.080 722 HD23 LEU 89 2HD2 LEU 89 4.884 7.683 -20.158 723 H GLU 90 H GLU 90 1.167 11.551 -16.648 724 HA GLU 90 HA GLU 90 -0.650 13.180 -18.296 725 HB2 GLU 90 1HB GLU 90 -0.955 12.193 -15.426 726 HB3 GLU 90 2HB GLU 90 -2.208 12.924 -16.426 727 HG2 GLU 90 1HG GLU 90 -2.139 10.992 -17.950 728 HG3 GLU 90 2HG GLU 90 -0.852 10.268 -16.985 729 H282 PNS 101 2H28 PNS 142 -12.935 -3.138 -5.626 730 H281 PNS 101 3H28 PNS 142 -11.333 -2.864 -4.968 731 H303 PNS 101 2H51 PNS 142 -14.350 -4.107 -3.043 732 H302 PNS 101 3H51 PNS 142 -13.890 -5.800 -3.159 733 H301 PNS 101 1H51 PNS 142 -14.458 -4.931 -4.598 734 H313 PNS 101 2H52 PNS 142 -10.620 -4.073 -2.889 735 H312 PNS 101 3H52 PNS 142 -12.077 -3.537 -2.053 736 H311 PNS 101 1H52 PNS 142 -11.695 -5.261 -2.137 737 H32 PNS 101 H32 PNS 142 -12.370 -5.526 -5.845 738 H33 PNS 101 H33 PNS 142 -10.381 -4.423 -5.707 739 H36 PNS 101 H36 PNS 142 -10.323 -6.473 -3.203 740 H372 PNS 101 2H37 PNS 142 -11.655 -8.968 -2.543 741 H371 PNS 101 3H37 PNS 142 -10.219 -8.265 -1.788 742 H382 PNS 101 2H38 PNS 142 -10.328 -9.560 -4.544 743 H381 PNS 101 3H38 PNS 142 -9.638 -10.298 -3.099 744 H41 PNS 101 H41 PNS 142 -9.307 -6.987 -4.382 745 H422 PNS 101 2H42 PNS 142 -6.502 -7.184 -5.031 746 H421 PNS 101 3H42 PNS 142 -7.630 -5.879 -5.408 747 H431 PNS 101 2H43 PNS 142 -6.490 -6.436 -2.653 748 H432 PNS 101 3H43 PNS 142 -5.966 -5.138 -3.742 749 H44 PNS 101 H44 PNS 142 -9.097 -5.498 -2.381 Start of MODEL 20 1 H1 MET 1 1H MET 1 14.757 6.792 -4.158 2 H2 MET 1 2H MET 1 15.972 7.323 -5.202 3 H3 MET 1 3H MET 1 16.257 7.260 -3.537 4 HA MET 1 HA MET 1 15.750 4.943 -5.306 5 HB2 MET 1 1HB MET 1 18.322 5.788 -3.907 6 HB3 MET 1 2HB MET 1 18.114 4.325 -4.870 7 HG2 MET 1 1HG MET 1 17.947 7.172 -5.881 8 HG3 MET 1 2HG MET 1 19.267 6.038 -6.159 9 HE1 MET 1 3HE MET 1 17.580 3.419 -8.558 10 HE2 MET 1 1HE MET 1 17.847 3.303 -6.818 11 HE3 MET 1 2HE MET 1 19.108 3.958 -7.868 12 H ASP 2 H ASP 2 15.465 6.201 -2.180 13 HA ASP 2 HA ASP 2 15.668 3.744 -0.688 14 HB2 ASP 2 1HB ASP 2 14.232 6.340 0.069 15 HB3 ASP 2 2HB ASP 2 14.657 5.029 1.167 16 H GLY 3 H GLY 3 14.374 2.328 -2.016 17 HA2 GLY 3 1HA GLY 3 11.650 2.774 -2.691 18 HA3 GLY 3 2HA GLY 3 12.456 1.211 -2.613 19 H GLU 4 H GLU 4 13.207 1.691 0.218 20 HA GLU 4 HA GLU 4 11.110 0.367 1.541 21 HB2 GLU 4 1HB GLU 4 12.462 0.683 3.568 22 HB3 GLU 4 2HB GLU 4 13.473 0.194 2.207 23 HG2 GLU 4 1HG GLU 4 14.119 2.589 1.870 24 HG3 GLU 4 2HG GLU 4 13.199 3.014 3.316 25 H GLU 5 H GLU 5 11.589 3.764 0.950 26 HA GLU 5 HA GLU 5 10.367 4.869 3.241 27 HB2 GLU 5 1HB GLU 5 10.282 6.962 2.053 28 HB3 GLU 5 2HB GLU 5 11.744 6.152 1.505 29 HG2 GLU 5 1HG GLU 5 10.555 5.457 -0.572 30 HG3 GLU 5 2HG GLU 5 9.126 6.329 -0.029 31 H VAL 6 H VAL 6 9.125 3.746 0.149 32 HA VAL 6 HA VAL 6 6.398 4.524 0.486 33 HB VAL 6 HB VAL 6 7.606 2.364 -1.317 34 HG11 VAL 6 1HG1 VAL 6 4.914 3.759 -1.541 35 HG12 VAL 6 2HG1 VAL 6 5.186 2.068 -1.112 36 HG13 VAL 6 3HG1 VAL 6 5.590 2.644 -2.730 37 HG21 VAL 6 3HG2 VAL 6 7.090 5.297 -1.952 38 HG22 VAL 6 1HG2 VAL 6 7.622 4.081 -3.117 39 HG23 VAL 6 2HG2 VAL 6 8.667 4.529 -1.767 40 H LYS 7 H LYS 7 8.206 1.510 0.939 41 HA LYS 7 HA LYS 7 6.081 -0.170 1.627 42 HB2 LYS 7 1HB LYS 7 9.076 -0.292 1.889 43 HB3 LYS 7 2HB LYS 7 8.151 -1.447 2.845 44 HG2 LYS 7 1HG LYS 7 7.174 -2.431 0.906 45 HG3 LYS 7 2HG LYS 7 7.701 -1.111 -0.119 46 HD2 LYS 7 1HD LYS 7 9.647 -3.019 1.206 47 HD3 LYS 7 2HD LYS 7 8.948 -3.311 -0.389 48 HE2 LYS 7 1HE LYS 7 10.620 -0.902 0.384 49 HE3 LYS 7 2HE LYS 7 11.180 -2.282 -0.560 50 HZ1 LYS 7 3HZ LYS 7 9.044 -0.372 -1.356 51 HZ2 LYS 7 1HZ LYS 7 9.533 -1.713 -2.260 52 HZ3 LYS 7 2HZ LYS 7 10.603 -0.437 -1.996 53 H GLU 8 H GLU 8 8.232 1.725 3.767 54 HA GLU 8 HA GLU 8 7.119 0.561 6.168 55 HB2 GLU 8 1HB GLU 8 8.839 1.650 7.312 56 HB3 GLU 8 2HB GLU 8 9.563 1.481 5.723 57 HG2 GLU 8 1HG GLU 8 10.091 3.683 5.917 58 HG3 GLU 8 2HG GLU 8 8.401 3.991 5.537 59 H LYS 9 H LYS 9 6.596 3.541 4.365 60 HA LYS 9 HA LYS 9 4.987 4.886 6.272 61 HB2 LYS 9 1HB LYS 9 5.337 5.089 3.277 62 HB3 LYS 9 2HB LYS 9 4.082 6.028 4.065 63 HG2 LYS 9 1HG LYS 9 5.801 7.092 5.505 64 HG3 LYS 9 2HG LYS 9 7.053 6.174 4.657 65 HD2 LYS 9 1HD LYS 9 6.465 7.297 2.544 66 HD3 LYS 9 2HD LYS 9 5.160 8.173 3.356 67 HE2 LYS 9 1HE LYS 9 8.121 8.426 3.962 68 HE3 LYS 9 2HE LYS 9 7.137 9.602 3.090 69 HZ1 LYS 9 3HZ LYS 9 5.785 9.852 5.109 70 HZ2 LYS 9 1HZ LYS 9 7.404 10.279 5.363 71 HZ3 LYS 9 2HZ LYS 9 6.818 8.797 5.929 72 H ILE 10 H ILE 10 4.095 2.935 3.407 73 HA ILE 10 HA ILE 10 1.310 3.046 3.785 74 HB ILE 10 HB ILE 10 2.955 0.935 2.332 75 HG12 ILE 10 1HG1 ILE 10 1.441 3.347 1.237 76 HG13 ILE 10 2HG1 ILE 10 3.185 3.271 1.460 77 HG21 ILE 10 1HG2 ILE 10 -0.048 1.427 2.149 78 HG22 ILE 10 2HG2 ILE 10 0.727 0.011 2.861 79 HG23 ILE 10 3HG2 ILE 10 0.870 0.314 1.130 80 HD11 ILE 10 3HD1 ILE 10 3.313 1.471 -0.201 81 HD12 ILE 10 1HD1 ILE 10 2.586 2.939 -0.852 82 HD13 ILE 10 2HD1 ILE 10 1.562 1.568 -0.430 83 H ARG 11 H ARG 11 3.753 0.679 4.957 84 HA ARG 11 HA ARG 11 1.869 -1.234 5.877 85 HB2 ARG 11 1HB ARG 11 3.681 -2.428 6.886 86 HB3 ARG 11 2HB ARG 11 4.273 -1.746 5.393 87 HG2 ARG 11 1HG ARG 11 6.084 -1.458 6.749 88 HG3 ARG 11 2HG ARG 11 5.300 0.106 6.892 89 HD2 ARG 11 1HD ARG 11 4.685 -0.264 9.113 90 HD3 ARG 11 2HD ARG 11 4.675 -2.010 8.928 91 HE ARG 11 HE ARG 11 6.838 -2.076 9.569 92 HH11 ARG 11 1HH1 ARG 11 6.274 1.239 8.544 93 HH12 ARG 11 2HH1 ARG 11 7.847 1.779 9.027 94 HH21 ARG 11 1HH2 ARG 11 8.898 -1.367 10.169 95 HH22 ARG 11 2HH2 ARG 11 9.338 0.301 9.946 96 H ARG 12 H ARG 12 3.288 1.618 7.303 97 HA ARG 12 HA ARG 12 2.466 1.044 9.985 98 HB2 ARG 12 1HB ARG 12 4.262 2.878 8.763 99 HB3 ARG 12 2HB ARG 12 3.015 3.904 9.447 100 HG2 ARG 12 1HG ARG 12 4.966 3.567 10.933 101 HG3 ARG 12 2HG ARG 12 3.447 3.042 11.672 102 HD2 ARG 12 1HD ARG 12 4.067 0.685 10.932 103 HD3 ARG 12 2HD ARG 12 5.638 1.332 10.477 104 HE ARG 12 HE ARG 12 4.556 1.129 13.210 105 HH11 ARG 12 1HH1 ARG 12 7.360 1.638 11.154 106 HH12 ARG 12 2HH1 ARG 12 8.492 1.492 12.455 107 HH21 ARG 12 1HH2 ARG 12 6.055 0.925 14.912 108 HH22 ARG 12 2HH2 ARG 12 7.753 1.090 14.579 109 H TYR 13 H TYR 13 1.133 2.848 7.263 110 HA TYR 13 HA TYR 13 -1.037 4.075 8.655 111 HB2 TYR 13 1HB TYR 13 -0.201 4.882 6.456 112 HB3 TYR 13 2HB TYR 13 -0.771 3.393 5.697 113 HD1 TYR 13 HD1 TYR 13 -2.155 6.105 7.932 114 HD2 TYR 13 HD2 TYR 13 -2.830 3.566 4.568 115 HE1 TYR 13 HE1 TYR 13 -4.319 7.166 7.575 116 HE2 TYR 13 HE2 TYR 13 -5.005 4.627 4.206 117 HH TYR 13 HH TYR 13 -6.699 5.842 5.586 118 H ILE 14 H ILE 14 -0.616 0.990 6.979 119 HA ILE 14 HA ILE 14 -3.275 0.047 7.050 120 HB ILE 14 HB ILE 14 -0.663 -1.525 7.208 121 HG12 ILE 14 1HG1 ILE 14 -2.392 -1.123 4.734 122 HG13 ILE 14 2HG1 ILE 14 -1.096 -0.009 5.150 123 HG21 ILE 14 1HG2 ILE 14 -3.445 -2.549 6.526 124 HG22 ILE 14 2HG2 ILE 14 -2.520 -2.931 7.979 125 HG23 ILE 14 3HG2 ILE 14 -1.951 -3.482 6.404 126 HD11 ILE 14 3HD1 ILE 14 0.517 -1.837 5.040 127 HD12 ILE 14 1HD1 ILE 14 -0.345 -1.602 3.517 128 HD13 ILE 14 2HD1 ILE 14 -0.780 -2.949 4.572 129 H MET 15 H MET 15 -0.636 -0.021 9.396 130 HA MET 15 HA MET 15 -1.845 -1.630 11.388 131 HB2 MET 15 1HB MET 15 0.339 0.482 11.613 132 HB3 MET 15 2HB MET 15 -0.050 -0.689 12.869 133 HG2 MET 15 1HG MET 15 0.694 -2.509 11.519 134 HG3 MET 15 2HG MET 15 0.798 -1.486 10.094 135 HE1 MET 15 3HE MET 15 2.034 -0.571 13.723 136 HE2 MET 15 1HE MET 15 3.677 -1.216 13.652 137 HE3 MET 15 2HE MET 15 2.296 -2.314 13.565 138 H GLU 16 H GLU 16 -1.887 1.835 10.780 139 HA GLU 16 HA GLU 16 -3.185 2.573 13.253 140 HB2 GLU 16 1HB GLU 16 -2.691 4.159 10.696 141 HB3 GLU 16 2HB GLU 16 -3.294 4.850 12.197 142 HG2 GLU 16 1HG GLU 16 -0.609 3.458 11.963 143 HG3 GLU 16 2HG GLU 16 -0.838 5.197 11.724 144 H ASP 17 H ASP 17 -4.202 3.011 9.865 145 HA ASP 17 HA ASP 17 -6.842 3.787 10.684 146 HB2 ASP 17 1HB ASP 17 -5.742 5.088 8.993 147 HB3 ASP 17 2HB ASP 17 -5.432 3.665 8.007 148 H LEU 18 H LEU 18 -5.498 1.218 8.604 149 HA LEU 18 HA LEU 18 -8.034 0.170 7.821 150 HB2 LEU 18 1HB LEU 18 -5.204 -0.918 7.546 151 HB3 LEU 18 2HB LEU 18 -6.604 -1.799 6.966 152 HG LEU 18 HG LEU 18 -7.122 0.084 5.396 153 HD11 LEU 18 1HD1 LEU 18 -5.458 1.815 4.902 154 HD12 LEU 18 2HD1 LEU 18 -4.463 1.262 6.252 155 HD13 LEU 18 3HD1 LEU 18 -6.055 1.957 6.557 156 HD21 LEU 18 3HD2 LEU 18 -5.889 -1.880 4.632 157 HD22 LEU 18 1HD2 LEU 18 -4.358 -1.120 5.079 158 HD23 LEU 18 2HD2 LEU 18 -5.347 -0.433 3.787 159 H ILE 19 H ILE 19 -5.468 -1.097 9.978 160 HA ILE 19 HA ILE 19 -7.235 -3.168 11.037 161 HB ILE 19 HB ILE 19 -4.312 -2.648 11.704 162 HG12 ILE 19 1HG1 ILE 19 -5.478 -4.665 9.732 163 HG13 ILE 19 2HG1 ILE 19 -4.605 -3.200 9.295 164 HG21 ILE 19 1HG2 ILE 19 -4.295 -4.944 12.625 165 HG22 ILE 19 2HG2 ILE 19 -6.015 -5.110 12.267 166 HG23 ILE 19 3HG2 ILE 19 -5.473 -3.932 13.463 167 HD11 ILE 19 3HD1 ILE 19 -3.461 -5.576 10.763 168 HD12 ILE 19 1HD1 ILE 19 -2.588 -4.093 10.365 169 HD13 ILE 19 2HD1 ILE 19 -3.188 -5.136 9.078 170 H GLY 20 H GLY 20 -4.845 -1.389 12.931 171 HA2 GLY 20 1HA GLY 20 -5.508 0.466 14.386 172 HA3 GLY 20 2HA GLY 20 -6.991 -0.425 14.708 173 HA PRO 21 HA PRO 21 -5.074 -1.981 18.269 174 HB2 PRO 21 1HB PRO 21 -6.674 -4.186 18.808 175 HB3 PRO 21 2HB PRO 21 -7.203 -2.504 18.961 176 HG2 PRO 21 1HG PRO 21 -8.039 -4.486 17.017 177 HG3 PRO 21 2HG PRO 21 -8.711 -2.876 17.326 178 HD2 PRO 21 1HD PRO 21 -6.863 -3.718 15.195 179 HD3 PRO 21 2HD PRO 21 -7.786 -2.208 15.332 180 H SER 22 H SER 22 -5.643 -5.012 16.338 181 HA SER 22 HA SER 22 -3.261 -6.257 17.466 182 HB2 SER 22 1HB SER 22 -5.375 -7.555 17.051 183 HB3 SER 22 2HB SER 22 -5.151 -7.316 15.319 184 HG SER 22 HG SER 22 -3.303 -8.554 15.397 185 H ALA 23 H ALA 23 -2.029 -4.377 16.558 186 HA ALA 23 HA ALA 23 -0.723 -5.154 14.056 187 HB1 ALA 23 3HB ALA 23 -2.453 -3.602 13.282 188 HB2 ALA 23 1HB ALA 23 -0.861 -2.857 13.130 189 HB3 ALA 23 2HB ALA 23 -1.935 -2.389 14.456 190 H LYS 24 H LYS 24 0.823 -5.757 15.716 191 HA LYS 24 HA LYS 24 2.171 -3.793 17.304 192 HB2 LYS 24 1HB LYS 24 1.978 -6.228 17.885 193 HB3 LYS 24 2HB LYS 24 3.100 -6.595 16.578 194 HG2 LYS 24 1HG LYS 24 4.861 -5.324 17.707 195 HG3 LYS 24 2HG LYS 24 3.730 -4.854 18.981 196 HD2 LYS 24 1HD LYS 24 3.500 -7.178 19.688 197 HD3 LYS 24 2HD LYS 24 4.543 -7.717 18.368 198 HE2 LYS 24 1HE LYS 24 6.428 -6.443 19.355 199 HE3 LYS 24 2HE LYS 24 5.376 -5.921 20.673 200 HZ1 LYS 24 3HZ LYS 24 6.150 -8.708 20.051 201 HZ2 LYS 24 1HZ LYS 24 5.110 -8.242 21.301 202 HZ3 LYS 24 2HZ LYS 24 6.736 -7.772 21.328 203 H GLU 25 H GLU 25 4.663 -3.503 17.037 204 HA GLU 25 HA GLU 25 4.844 -1.630 15.032 205 HB2 GLU 25 1HB GLU 25 7.255 -2.939 16.325 206 HB3 GLU 25 2HB GLU 25 7.153 -1.311 15.667 207 HG2 GLU 25 1HG GLU 25 5.877 -2.377 18.198 208 HG3 GLU 25 2HG GLU 25 7.101 -1.115 18.052 209 H ASP 26 H ASP 26 5.853 -4.975 14.824 210 HA ASP 26 HA ASP 26 6.793 -4.572 12.041 211 HB2 ASP 26 1HB ASP 26 8.041 -6.450 14.101 212 HB3 ASP 26 2HB ASP 26 8.555 -6.286 12.425 213 H GLU 27 H GLU 27 4.194 -5.474 13.177 214 HA GLU 27 HA GLU 27 3.923 -8.235 12.369 215 HB2 GLU 27 1HB GLU 27 2.012 -6.107 13.376 216 HB3 GLU 27 2HB GLU 27 1.338 -7.497 12.518 217 HG2 GLU 27 1HG GLU 27 3.033 -7.584 15.027 218 HG3 GLU 27 2HG GLU 27 1.294 -7.849 14.930 219 H LEU 28 H LEU 28 3.352 -5.054 10.969 220 HA LEU 28 HA LEU 28 2.589 -6.241 8.396 221 HB2 LEU 28 1HB LEU 28 2.461 -3.425 9.512 222 HB3 LEU 28 2HB LEU 28 2.379 -3.690 7.786 223 HG LEU 28 HG LEU 28 0.127 -3.433 8.731 224 HD11 LEU 28 1HD1 LEU 28 -0.945 -5.426 7.806 225 HD12 LEU 28 2HD1 LEU 28 0.606 -6.269 7.780 226 HD13 LEU 28 3HD1 LEU 28 0.352 -4.847 6.763 227 HD21 LEU 28 3HD2 LEU 28 -0.841 -5.074 10.281 228 HD22 LEU 28 1HD2 LEU 28 0.540 -4.251 11.004 229 HD23 LEU 28 2HD2 LEU 28 0.715 -5.899 10.397 230 H ASP 29 H ASP 29 4.165 -6.842 7.204 231 HA ASP 29 HA ASP 29 6.718 -5.334 6.987 232 HB2 ASP 29 1HB ASP 29 6.311 -8.371 6.829 233 HB3 ASP 29 2HB ASP 29 7.845 -7.538 6.589 234 H ASP 30 H ASP 30 7.890 -6.319 4.957 235 HA ASP 30 HA ASP 30 6.465 -5.479 2.672 236 HB2 ASP 30 1HB ASP 30 8.992 -7.164 2.596 237 HB3 ASP 30 2HB ASP 30 8.465 -5.940 1.444 238 H GLN 31 H GLN 31 6.984 -8.626 4.156 239 HA GLN 31 HA GLN 31 5.905 -10.016 1.761 240 HB2 GLN 31 1HB GLN 31 7.650 -11.169 3.978 241 HB3 GLN 31 2HB GLN 31 7.150 -11.991 2.502 242 HG2 GLN 31 1HG GLN 31 8.435 -10.296 1.178 243 HG3 GLN 31 2HG GLN 31 9.006 -9.597 2.692 244 HE21 GLN 31 1HE2 GLN 31 11.147 -10.011 2.316 245 HE22 GLN 31 2HE2 GLN 31 11.825 -11.600 2.285 246 H THR 32 H THR 32 4.698 -8.737 4.365 247 HA THR 32 HA THR 32 3.154 -10.829 5.557 248 HB THR 32 HB THR 32 2.893 -7.809 5.547 249 HG1 THR 32 HG1 THR 32 3.331 -8.909 7.957 250 HG21 THR 32 3HG2 THR 32 1.240 -8.027 7.385 251 HG22 THR 32 1HG2 THR 32 1.235 -9.780 7.166 252 HG23 THR 32 2HG2 THR 32 0.628 -8.725 5.887 253 HA PRO 33 HA PRO 33 0.335 -11.065 2.007 254 HB2 PRO 33 1HB PRO 33 -1.303 -13.024 2.952 255 HB3 PRO 33 2HB PRO 33 0.353 -13.362 2.422 256 HG2 PRO 33 1HG PRO 33 -0.683 -12.988 5.220 257 HG3 PRO 33 2HG PRO 33 0.441 -14.219 4.597 258 HD2 PRO 33 1HD PRO 33 1.293 -11.961 5.904 259 HD3 PRO 33 2HD PRO 33 2.263 -12.777 4.655 260 H LEU 34 H LEU 34 -0.478 -8.959 2.236 261 HA LEU 34 HA LEU 34 -2.164 -7.952 4.228 262 HB2 LEU 34 1HB LEU 34 -2.082 -7.047 1.326 263 HB3 LEU 34 2HB LEU 34 -2.615 -6.099 2.710 264 HG LEU 34 HG LEU 34 0.243 -6.948 2.102 265 HD11 LEU 34 1HD1 LEU 34 0.651 -4.548 1.839 266 HD12 LEU 34 2HD1 LEU 34 -1.058 -4.210 2.127 267 HD13 LEU 34 3HD1 LEU 34 -0.564 -5.131 0.700 268 HD21 LEU 34 3HD2 LEU 34 -0.773 -5.394 4.510 269 HD22 LEU 34 1HD2 LEU 34 0.923 -5.641 4.083 270 HD23 LEU 34 2HD2 LEU 34 -0.080 -7.018 4.526 271 H LEU 35 H LEU 35 -3.015 -9.045 0.941 272 HA LEU 35 HA LEU 35 -5.797 -8.586 1.141 273 HB2 LEU 35 1HB LEU 35 -4.379 -8.862 -0.970 274 HB3 LEU 35 2HB LEU 35 -4.450 -10.592 -0.695 275 HG LEU 35 HG LEU 35 -6.972 -10.447 -0.848 276 HD11 LEU 35 1HD1 LEU 35 -7.981 -8.418 -1.826 277 HD12 LEU 35 2HD1 LEU 35 -6.425 -7.588 -1.711 278 HD13 LEU 35 3HD1 LEU 35 -7.264 -8.102 -0.246 279 HD21 LEU 35 3HD2 LEU 35 -7.043 -10.245 -3.296 280 HD22 LEU 35 1HD2 LEU 35 -5.646 -11.181 -2.763 281 HD23 LEU 35 2HD2 LEU 35 -5.437 -9.508 -3.287 282 H GLU 36 H GLU 36 -3.774 -11.374 1.804 283 HA GLU 36 HA GLU 36 -5.767 -13.342 2.216 284 HB2 GLU 36 1HB GLU 36 -3.230 -13.637 1.852 285 HB3 GLU 36 2HB GLU 36 -3.028 -13.241 3.546 286 HG2 GLU 36 1HG GLU 36 -4.639 -15.599 2.524 287 HG3 GLU 36 2HG GLU 36 -2.945 -15.691 2.979 288 H TRP 37 H TRP 37 -4.184 -10.974 4.342 289 HA TRP 37 HA TRP 37 -5.361 -11.781 6.808 290 HB2 TRP 37 1HB TRP 37 -3.965 -9.275 5.831 291 HB3 TRP 37 2HB TRP 37 -4.793 -9.230 7.379 292 HD1 TRP 37 HD1 TRP 37 -2.777 -12.352 6.321 293 HE1 TRP 37 HE1 TRP 37 -0.774 -12.574 7.906 294 HE3 TRP 37 HE3 TRP 37 -3.242 -7.933 8.868 295 HZ2 TRP 37 HZ2 TRP 37 0.465 -11.094 9.957 296 HZ3 TRP 37 HZ3 TRP 37 -1.596 -7.409 10.630 297 HH2 TRP 37 HH2 TRP 37 0.225 -8.962 11.165 298 H GLY 38 H GLY 38 -6.643 -10.101 4.091 299 HA2 GLY 38 1HA GLY 38 -8.730 -9.274 3.626 300 HA3 GLY 38 2HA GLY 38 -9.279 -9.907 5.172 301 H ILE 39 H ILE 39 -6.586 -7.761 5.026 302 HA ILE 39 HA ILE 39 -7.990 -5.666 6.499 303 HB ILE 39 HB ILE 39 -5.751 -4.653 6.792 304 HG12 ILE 39 1HG1 ILE 39 -4.819 -6.931 4.982 305 HG13 ILE 39 2HG1 ILE 39 -4.615 -5.209 4.717 306 HG21 ILE 39 1HG2 ILE 39 -4.790 -6.432 8.218 307 HG22 ILE 39 2HG2 ILE 39 -5.830 -7.628 7.443 308 HG23 ILE 39 3HG2 ILE 39 -6.540 -6.329 8.403 309 HD11 ILE 39 3HD1 ILE 39 -2.524 -6.176 5.331 310 HD12 ILE 39 1HD1 ILE 39 -3.225 -6.909 6.773 311 HD13 ILE 39 2HD1 ILE 39 -3.067 -5.157 6.661 312 H LEU 40 H LEU 40 -7.302 -6.422 3.277 313 HA LEU 40 HA LEU 40 -7.558 -3.619 2.350 314 HB2 LEU 40 1HB LEU 40 -6.697 -6.066 0.747 315 HB3 LEU 40 2HB LEU 40 -6.753 -4.409 0.168 316 HG LEU 40 HG LEU 40 -4.803 -5.599 2.170 317 HD11 LEU 40 1HD1 LEU 40 -4.370 -4.328 -0.549 318 HD12 LEU 40 2HD1 LEU 40 -4.277 -6.051 -0.164 319 HD13 LEU 40 3HD1 LEU 40 -3.109 -4.930 0.531 320 HD21 LEU 40 3HD2 LEU 40 -3.777 -3.360 2.364 321 HD22 LEU 40 1HD2 LEU 40 -5.421 -3.383 3.002 322 HD23 LEU 40 2HD2 LEU 40 -5.098 -2.665 1.422 323 H ASN 41 H ASN 41 -9.682 -3.254 2.288 324 HA ASN 41 HA ASN 41 -11.465 -5.037 0.725 325 HB2 ASN 41 1HB ASN 41 -12.255 -3.326 3.135 326 HB3 ASN 41 2HB ASN 41 -13.327 -4.360 2.199 327 HD21 ASN 41 1HD2 ASN 41 -10.810 -4.269 4.600 328 HD22 ASN 41 2HD2 ASN 41 -10.954 -5.908 5.118 329 H SER 42 H SER 42 -13.293 -3.849 -0.243 330 HA SER 42 HA SER 42 -12.338 -1.940 -2.035 331 HB2 SER 42 2HB SER 42 -14.102 -3.411 -2.690 332 HB3 SER 42 1HB SER 42 -15.119 -2.929 -1.341 333 H MET 43 H MET 43 -13.852 -1.407 1.071 334 HA MET 43 HA MET 43 -14.431 1.393 0.539 335 HB2 MET 43 1HB MET 43 -15.997 0.139 1.937 336 HB3 MET 43 2HB MET 43 -14.721 -0.258 3.080 337 HG2 MET 43 1HG MET 43 -16.241 1.563 3.862 338 HG3 MET 43 2HG MET 43 -14.549 2.047 3.786 339 HE1 MET 43 3HE MET 43 -17.117 1.759 0.709 340 HE2 MET 43 1HE MET 43 -17.740 3.409 0.702 341 HE3 MET 43 2HE MET 43 -18.091 2.339 2.060 342 H ASN 44 H ASN 44 -12.025 -0.497 2.431 343 HA ASN 44 HA ASN 44 -10.823 1.978 3.449 344 HB2 ASN 44 1HB ASN 44 -9.420 0.626 4.882 345 HB3 ASN 44 2HB ASN 44 -11.079 0.060 5.011 346 HD21 ASN 44 1HD2 ASN 44 -7.928 -0.651 3.588 347 HD22 ASN 44 2HD2 ASN 44 -8.190 -2.349 3.434 348 H ILE 45 H ILE 45 -10.378 0.035 0.712 349 HA ILE 45 HA ILE 45 -7.541 0.185 0.431 350 HB ILE 45 HB ILE 45 -8.961 -1.447 -0.810 351 HG12 ILE 45 1HG1 ILE 45 -7.282 0.360 -2.606 352 HG13 ILE 45 2HG1 ILE 45 -6.660 -0.939 -1.595 353 HG21 ILE 45 1HG2 ILE 45 -10.228 -0.766 -2.815 354 HG22 ILE 45 2HG2 ILE 45 -9.862 0.930 -2.484 355 HG23 ILE 45 3HG2 ILE 45 -10.865 0.008 -1.363 356 HD11 ILE 45 3HD1 ILE 45 -8.516 -1.262 -3.940 357 HD12 ILE 45 1HD1 ILE 45 -7.880 -2.563 -2.931 358 HD13 ILE 45 2HD1 ILE 45 -6.787 -1.590 -3.910 359 H VAL 46 H VAL 46 -10.203 2.346 -0.433 360 HA VAL 46 HA VAL 46 -8.754 4.158 -2.066 361 HB VAL 46 HB VAL 46 -10.591 5.728 -1.791 362 HG11 VAL 46 1HG1 VAL 46 -10.982 3.848 -3.322 363 HG12 VAL 46 2HG1 VAL 46 -12.494 4.346 -2.562 364 HG13 VAL 46 3HG1 VAL 46 -11.667 2.889 -2.005 365 HG21 VAL 46 3HG2 VAL 46 -11.626 3.969 0.457 366 HG22 VAL 46 1HG2 VAL 46 -12.496 5.336 -0.241 367 HG23 VAL 46 2HG2 VAL 46 -10.981 5.601 0.622 368 H LYS 47 H LYS 47 -8.961 3.718 1.364 369 HA LYS 47 HA LYS 47 -7.978 6.215 2.287 370 HB2 LYS 47 1HB LYS 47 -7.605 3.475 3.566 371 HB3 LYS 47 2HB LYS 47 -7.515 5.030 4.383 372 HG2 LYS 47 1HG LYS 47 -10.033 3.919 3.100 373 HG3 LYS 47 2HG LYS 47 -9.626 3.737 4.806 374 HD2 LYS 47 1HD LYS 47 -9.993 6.410 3.397 375 HD3 LYS 47 2HD LYS 47 -11.246 5.593 4.336 376 HE2 LYS 47 1HE LYS 47 -9.743 5.689 6.347 377 HE3 LYS 47 2HE LYS 47 -8.586 6.620 5.393 378 HZ1 LYS 47 3HZ LYS 47 -10.249 8.340 5.121 379 HZ2 LYS 47 1HZ LYS 47 -9.972 8.028 6.761 380 HZ3 LYS 47 2HZ LYS 47 -11.367 7.440 6.013 381 H LEU 48 H LEU 48 -6.411 3.132 1.370 382 HA LEU 48 HA LEU 48 -3.739 3.980 1.725 383 HB2 LEU 48 1HB LEU 48 -4.955 1.837 -0.052 384 HB3 LEU 48 2HB LEU 48 -3.226 2.145 -0.021 385 HG LEU 48 HG LEU 48 -4.929 1.170 2.301 386 HD11 LEU 48 1HD1 LEU 48 -2.740 -0.236 0.739 387 HD12 LEU 48 2HD1 LEU 48 -4.473 -0.562 0.626 388 HD13 LEU 48 3HD1 LEU 48 -3.615 -0.885 2.131 389 HD21 LEU 48 3HD2 LEU 48 -1.947 1.760 2.281 390 HD22 LEU 48 1HD2 LEU 48 -2.848 1.008 3.602 391 HD23 LEU 48 2HD2 LEU 48 -3.181 2.676 3.148 392 H MET 49 H MET 49 -5.898 4.058 -1.154 393 HA MET 49 HA MET 49 -4.066 4.961 -3.053 394 HB2 MET 49 1HB MET 49 -7.024 5.655 -2.882 395 HB3 MET 49 2HB MET 49 -6.022 5.861 -4.315 396 HG2 MET 49 1HG MET 49 -5.706 3.446 -4.463 397 HG3 MET 49 2HG MET 49 -6.660 3.221 -2.990 398 HE1 MET 49 3HE MET 49 -7.535 1.554 -5.413 399 HE2 MET 49 1HE MET 49 -9.268 1.877 -5.456 400 HE3 MET 49 2HE MET 49 -8.449 1.676 -3.907 401 H VAL 50 H VAL 50 -6.107 6.873 -0.863 402 HA VAL 50 HA VAL 50 -5.226 9.434 -1.843 403 HB VAL 50 HB VAL 50 -6.440 10.479 -0.002 404 HG11 VAL 50 1HG1 VAL 50 -8.719 9.652 -0.468 405 HG12 VAL 50 2HG1 VAL 50 -8.051 8.180 -1.173 406 HG13 VAL 50 3HG1 VAL 50 -7.757 9.740 -1.947 407 HG21 VAL 50 3HG2 VAL 50 -7.598 9.184 1.769 408 HG22 VAL 50 1HG2 VAL 50 -5.848 8.950 1.846 409 HG23 VAL 50 2HG2 VAL 50 -6.873 7.695 1.155 410 H TYR 51 H TYR 51 -4.214 7.319 0.805 411 HA TYR 51 HA TYR 51 -2.499 9.044 2.225 412 HB2 TYR 51 1HB TYR 51 -3.181 6.821 3.084 413 HB3 TYR 51 2HB TYR 51 -2.300 6.031 1.797 414 HD1 TYR 51 HD1 TYR 51 -1.789 8.300 4.752 415 HD2 TYR 51 HD2 TYR 51 0.005 5.426 2.127 416 HE1 TYR 51 HE1 TYR 51 0.226 8.269 6.160 417 HE2 TYR 51 HE2 TYR 51 2.009 5.391 3.540 418 HH TYR 51 HH TYR 51 2.107 6.541 6.623 419 H ILE 52 H ILE 52 -1.816 6.702 -0.302 420 HA ILE 52 HA ILE 52 0.948 7.164 -0.622 421 HB ILE 52 HB ILE 52 -1.116 5.850 -2.439 422 HG12 ILE 52 1HG1 ILE 52 0.822 4.382 -0.618 423 HG13 ILE 52 2HG1 ILE 52 -0.706 4.988 0.010 424 HG21 ILE 52 1HG2 ILE 52 0.751 4.629 -3.504 425 HG22 ILE 52 2HG2 ILE 52 1.903 5.571 -2.558 426 HG23 ILE 52 3HG2 ILE 52 0.886 6.373 -3.758 427 HD11 ILE 52 3HD1 ILE 52 -1.929 3.642 -1.558 428 HD12 ILE 52 1HD1 ILE 52 -0.834 2.655 -0.588 429 HD13 ILE 52 2HD1 ILE 52 -0.417 3.038 -2.261 430 H ARG 53 H ARG 53 -1.928 8.471 -2.158 431 HA ARG 53 HA ARG 53 -0.694 9.891 -4.281 432 HB2 ARG 53 1HB ARG 53 -3.136 9.328 -4.107 433 HB3 ARG 53 2HB ARG 53 -3.303 10.560 -2.860 434 HG2 ARG 53 1HG ARG 53 -2.627 12.291 -4.496 435 HG3 ARG 53 2HG ARG 53 -2.453 11.044 -5.734 436 HD2 ARG 53 1HD ARG 53 -4.859 10.504 -5.505 437 HD3 ARG 53 2HD ARG 53 -5.023 11.805 -4.315 438 HE ARG 53 HE ARG 53 -3.958 13.106 -6.410 439 HH11 ARG 53 1HH1 ARG 53 -6.720 10.940 -6.252 440 HH12 ARG 53 2HH1 ARG 53 -7.540 11.703 -7.575 441 HH21 ARG 53 1HH2 ARG 53 -5.036 14.087 -8.139 442 HH22 ARG 53 2HH2 ARG 53 -6.585 13.489 -8.639 443 H ASP 54 H ASP 54 -1.104 10.619 -0.877 444 HA ASP 54 HA ASP 54 -0.374 13.435 -1.174 445 HB2 ASP 54 1HB ASP 54 -2.094 12.662 0.498 446 HB3 ASP 54 2HB ASP 54 -0.825 11.807 1.366 447 H GLU 55 H GLU 55 0.948 10.506 0.347 448 HA GLU 55 HA GLU 55 3.409 11.658 1.214 449 HB2 GLU 55 1HB GLU 55 2.497 8.757 1.005 450 HB3 GLU 55 2HB GLU 55 4.014 9.254 1.744 451 HG2 GLU 55 1HG GLU 55 1.260 10.084 2.705 452 HG3 GLU 55 2HG GLU 55 2.227 8.782 3.394 453 H MET 56 H MET 56 2.873 8.980 -1.150 454 HA MET 56 HA MET 56 5.551 9.297 -2.187 455 HB2 MET 56 1HB MET 56 3.346 7.477 -3.210 456 HB3 MET 56 2HB MET 56 5.040 7.411 -3.681 457 HG2 MET 56 1HG MET 56 4.724 5.678 -2.157 458 HG3 MET 56 2HG MET 56 5.528 6.963 -1.241 459 HE1 MET 56 3HE MET 56 3.449 6.090 1.682 460 HE2 MET 56 1HE MET 56 4.950 6.745 1.011 461 HE3 MET 56 2HE MET 56 4.464 5.084 0.643 462 H GLY 57 H GLY 57 2.352 10.366 -3.052 463 HA2 GLY 57 1HA GLY 57 1.652 11.905 -4.624 464 HA3 GLY 57 2HA GLY 57 3.276 11.965 -5.289 465 H VAL 58 H VAL 58 1.252 9.057 -4.864 466 HA VAL 58 HA VAL 58 1.006 8.807 -7.808 467 HB VAL 58 HB VAL 58 2.200 6.894 -7.852 468 HG11 VAL 58 1HG1 VAL 58 3.513 7.815 -6.029 469 HG12 VAL 58 2HG1 VAL 58 3.456 6.056 -5.946 470 HG13 VAL 58 3HG1 VAL 58 2.464 7.022 -4.851 471 HG21 VAL 58 3HG2 VAL 58 1.502 4.781 -6.825 472 HG22 VAL 58 1HG2 VAL 58 0.119 5.628 -7.523 473 HG23 VAL 58 2HG2 VAL 58 0.372 5.644 -5.778 474 H SER 59 H SER 59 -0.993 8.673 -8.485 475 HA SER 59 HA SER 59 -3.177 7.719 -6.774 476 HB2 SER 59 1HB SER 59 -3.208 8.740 -9.651 477 HB3 SER 59 2HB SER 59 -4.629 8.413 -8.653 478 HG SER 59 HG SER 59 -2.608 10.337 -8.116 479 H ILE 60 H ILE 60 -3.678 5.565 -6.792 480 HA ILE 60 HA ILE 60 -2.531 3.782 -8.805 481 HB ILE 60 HB ILE 60 -4.267 3.052 -6.398 482 HG12 ILE 60 1HG1 ILE 60 -1.212 3.065 -6.583 483 HG13 ILE 60 2HG1 ILE 60 -2.168 4.237 -5.687 484 HG21 ILE 60 1HG2 ILE 60 -3.343 0.780 -6.681 485 HG22 ILE 60 2HG2 ILE 60 -2.413 1.316 -8.079 486 HG23 ILE 60 3HG2 ILE 60 -4.175 1.296 -8.150 487 HD11 ILE 60 3HD1 ILE 60 -1.992 1.280 -5.094 488 HD12 ILE 60 1HD1 ILE 60 -2.945 2.458 -4.187 489 HD13 ILE 60 2HD1 ILE 60 -1.186 2.574 -4.211 490 HA PRO 61 HA PRO 61 -6.553 4.032 -11.022 491 HB2 PRO 61 1HB PRO 61 -5.831 2.601 -13.233 492 HB3 PRO 61 2HB PRO 61 -5.251 4.259 -12.971 493 HG2 PRO 61 1HG PRO 61 -3.815 1.667 -12.397 494 HG3 PRO 61 2HG PRO 61 -3.211 3.121 -13.237 495 HD2 PRO 61 1HD PRO 61 -2.674 2.645 -10.612 496 HD3 PRO 61 2HD PRO 61 -2.875 4.296 -11.245 497 H SER 62 H SER 62 -8.286 2.559 -11.286 498 HA SER 62 HA SER 62 -8.436 0.430 -9.453 499 HB2 SER 62 1HB SER 62 -10.700 0.016 -10.518 500 HB3 SER 62 2HB SER 62 -10.423 1.685 -10.030 501 HG SER 62 HG SER 62 -11.277 1.047 -12.296 502 H THR 63 H THR 63 -7.619 0.407 -12.870 503 HA THR 63 HA THR 63 -7.936 -2.315 -13.505 504 HB THR 63 HB THR 63 -7.499 -0.625 -15.253 505 HG1 THR 63 HG1 THR 63 -6.405 -3.003 -15.177 506 HG21 THR 63 3HG2 THR 63 -4.671 -0.433 -14.145 507 HG22 THR 63 1HG2 THR 63 -5.896 0.837 -14.075 508 HG23 THR 63 2HG2 THR 63 -5.249 0.320 -15.633 509 H HIS 64 H HIS 64 -5.470 -0.632 -11.682 510 HA HIS 64 HA HIS 64 -3.538 -2.787 -11.791 511 HB2 HIS 64 1HB HIS 64 -3.312 0.013 -11.486 512 HB3 HIS 64 2HB HIS 64 -2.880 -0.619 -9.902 513 HD1 HIS 64 HD1 HIS 64 -1.418 0.114 -13.095 514 HD2 HIS 64 HD2 HIS 64 -0.810 -2.797 -10.212 515 HE1 HIS 64 HE1 HIS 64 0.827 -0.877 -13.615 516 HE2 HIS 64 HE2 HIS 64 1.273 -2.444 -11.693 517 H ILE 65 H ILE 65 -6.189 -1.953 -9.843 518 HA ILE 65 HA ILE 65 -5.302 -3.251 -7.425 519 HB ILE 65 HB ILE 65 -8.101 -2.402 -8.287 520 HG12 ILE 65 1HG1 ILE 65 -7.939 -0.807 -6.360 521 HG13 ILE 65 2HG1 ILE 65 -6.319 -1.377 -6.028 522 HG21 ILE 65 1HG2 ILE 65 -7.274 -3.787 -5.697 523 HG22 ILE 65 2HG2 ILE 65 -8.328 -4.443 -6.953 524 HG23 ILE 65 3HG2 ILE 65 -8.857 -3.062 -5.998 525 HD11 ILE 65 3HD1 ILE 65 -5.543 -0.427 -8.100 526 HD12 ILE 65 1HD1 ILE 65 -6.336 0.777 -7.088 527 HD13 ILE 65 2HD1 ILE 65 -7.182 0.099 -8.473 528 H THR 66 H THR 66 -4.696 -5.256 -7.717 529 HA THR 66 HA THR 66 -6.671 -7.313 -8.193 530 HB THR 66 HB THR 66 -6.001 -7.233 -10.473 531 HG1 THR 66 HG1 THR 66 -5.663 -9.305 -10.459 532 HG21 THR 66 3HG2 THR 66 -3.097 -7.067 -9.607 533 HG22 THR 66 1HG2 THR 66 -4.053 -5.735 -10.261 534 HG23 THR 66 2HG2 THR 66 -3.678 -7.133 -11.272 535 H GLY 67 H GLY 67 -5.887 -9.398 -7.463 536 HA2 GLY 67 1HA GLY 67 -4.639 -9.251 -4.958 537 HA3 GLY 67 2HA GLY 67 -4.978 -10.728 -5.850 538 H LYS 68 H LYS 68 -3.234 -9.693 -8.107 539 HA LYS 68 HA LYS 68 -0.802 -10.940 -7.445 540 HB2 LYS 68 1HB LYS 68 -1.425 -8.958 -9.680 541 HB3 LYS 68 2HB LYS 68 0.033 -9.947 -9.601 542 HG2 LYS 68 1HG LYS 68 -1.303 -11.997 -9.787 543 HG3 LYS 68 2HG LYS 68 -2.796 -11.059 -9.766 544 HD2 LYS 68 1HD LYS 68 -0.653 -10.893 -11.921 545 HD3 LYS 68 2HD LYS 68 -2.158 -11.807 -12.053 546 HE2 LYS 68 1HE LYS 68 -3.447 -9.715 -11.835 547 HE3 LYS 68 2HE LYS 68 -1.945 -8.799 -11.701 548 HZ1 LYS 68 3HZ LYS 68 -2.780 -8.681 -13.911 549 HZ2 LYS 68 1HZ LYS 68 -2.848 -10.362 -14.049 550 HZ3 LYS 68 2HZ LYS 68 -1.354 -9.584 -13.924 551 H TYR 69 H TYR 69 -1.703 -7.494 -7.531 552 HA TYR 69 HA TYR 69 0.948 -6.683 -6.552 553 HB2 TYR 69 1HB TYR 69 -1.446 -5.014 -7.438 554 HB3 TYR 69 2HB TYR 69 0.122 -4.361 -6.957 555 HD1 TYR 69 HD1 TYR 69 2.213 -5.320 -8.276 556 HD2 TYR 69 HD2 TYR 69 -1.795 -5.458 -9.736 557 HE1 TYR 69 HE1 TYR 69 3.057 -5.603 -10.562 558 HE2 TYR 69 HE2 TYR 69 -0.955 -5.741 -12.023 559 HH TYR 69 HH TYR 69 2.306 -6.468 -12.713 560 H PHE 70 H PHE 70 -2.219 -7.308 -5.314 561 HA PHE 70 HA PHE 70 -1.726 -5.650 -2.919 562 HB2 PHE 70 1HB PHE 70 -4.292 -6.628 -4.224 563 HB3 PHE 70 2HB PHE 70 -4.276 -6.050 -2.556 564 HD1 PHE 70 HD1 PHE 70 -3.177 -4.988 -5.996 565 HD2 PHE 70 HD2 PHE 70 -4.554 -3.739 -2.145 566 HE1 PHE 70 HE1 PHE 70 -3.205 -2.655 -6.756 567 HE2 PHE 70 HE2 PHE 70 -4.590 -1.414 -2.921 568 HZ PHE 70 HZ PHE 70 -3.907 -0.864 -5.220 569 H LYS 71 H LYS 71 -0.958 -8.609 -3.711 570 HA LYS 71 HA LYS 71 -1.995 -10.243 -1.617 571 HB2 LYS 71 1HB LYS 71 -0.112 -11.799 -2.166 572 HB3 LYS 71 2HB LYS 71 -1.048 -11.321 -3.577 573 HG2 LYS 71 1HG LYS 71 0.698 -9.765 -4.280 574 HG3 LYS 71 2HG LYS 71 1.613 -10.078 -2.803 575 HD2 LYS 71 1HD LYS 71 2.600 -11.280 -4.687 576 HD3 LYS 71 2HD LYS 71 1.954 -12.425 -3.510 577 HE2 LYS 71 1HE LYS 71 0.044 -12.893 -4.913 578 HE3 LYS 71 2HE LYS 71 0.446 -11.562 -6.001 579 HZ1 LYS 71 3HZ LYS 71 2.478 -12.756 -6.604 580 HZ2 LYS 71 1HZ LYS 71 1.089 -13.660 -6.954 581 HZ3 LYS 71 2HZ LYS 71 2.028 -14.039 -5.602 582 H ASP 72 H ASP 72 0.949 -8.258 -1.960 583 HA ASP 72 HA ASP 72 1.551 -8.461 0.923 584 HB2 ASP 72 1HB ASP 72 3.661 -8.862 -1.267 585 HB3 ASP 72 2HB ASP 72 3.987 -8.764 0.460 586 H LEU 73 H LEU 73 2.919 -6.732 1.652 587 HA LEU 73 HA LEU 73 2.544 -4.156 0.536 588 HB2 LEU 73 1HB LEU 73 3.015 -4.508 2.914 589 HB3 LEU 73 2HB LEU 73 4.571 -5.219 2.531 590 HG LEU 73 HG LEU 73 5.159 -2.886 1.504 591 HD11 LEU 73 1HD1 LEU 73 2.833 -2.035 3.242 592 HD12 LEU 73 2HD1 LEU 73 2.927 -1.933 1.482 593 HD13 LEU 73 3HD1 LEU 73 4.012 -0.963 2.475 594 HD21 LEU 73 3HD2 LEU 73 4.943 -3.257 4.498 595 HD22 LEU 73 1HD2 LEU 73 5.918 -2.033 3.682 596 HD23 LEU 73 2HD2 LEU 73 6.282 -3.738 3.452 597 H ASN 74 H ASN 74 4.960 -6.607 0.051 598 HA ASN 74 HA ASN 74 7.075 -5.206 -1.149 599 HB2 ASN 74 1HB ASN 74 6.940 -7.703 -0.429 600 HB3 ASN 74 2HB ASN 74 6.136 -8.003 -1.951 601 HD21 ASN 74 1HD2 ASN 74 9.137 -7.385 -0.384 602 HD22 ASN 74 2HD2 ASN 74 10.155 -7.554 -1.766 603 H ALA 75 H ALA 75 4.197 -6.753 -2.424 604 HA ALA 75 HA ALA 75 4.671 -6.143 -5.186 605 HB1 ALA 75 3HB ALA 75 2.532 -7.295 -5.526 606 HB2 ALA 75 1HB ALA 75 2.229 -7.268 -3.786 607 HB3 ALA 75 2HB ALA 75 3.570 -8.218 -4.430 608 H ILE 76 H ILE 76 2.742 -4.768 -2.550 609 HA ILE 76 HA ILE 76 1.196 -2.873 -3.958 610 HB ILE 76 HB ILE 76 2.317 -2.761 -1.120 611 HG12 ILE 76 1HG1 ILE 76 0.634 -4.565 -1.602 612 HG13 ILE 76 2HG1 ILE 76 0.106 -3.420 -0.377 613 HG21 ILE 76 1HG2 ILE 76 0.681 -0.947 -0.626 614 HG22 ILE 76 2HG2 ILE 76 0.267 -0.862 -2.341 615 HG23 ILE 76 3HG2 ILE 76 1.896 -0.443 -1.805 616 HD11 ILE 76 3HD1 ILE 76 -1.314 -2.313 -2.025 617 HD12 ILE 76 1HD1 ILE 76 -1.685 -4.027 -1.855 618 HD13 ILE 76 2HD1 ILE 76 -0.774 -3.465 -3.253 619 H SER 77 H SER 77 4.416 -2.661 -2.525 620 HA SER 77 HA SER 77 4.725 0.133 -3.112 621 HB2 SER 77 1HB SER 77 5.748 -0.857 -1.115 622 HB3 SER 77 2HB SER 77 6.715 -1.935 -2.115 623 HG SER 77 HG SER 77 7.449 0.248 -3.062 624 H ARG 78 H ARG 78 5.896 -2.943 -4.504 625 HA ARG 78 HA ARG 78 7.862 -1.779 -6.178 626 HB2 ARG 78 1HB ARG 78 8.255 -3.898 -7.080 627 HB3 ARG 78 2HB ARG 78 7.635 -4.268 -5.480 628 HG2 ARG 78 1HG ARG 78 5.387 -4.711 -6.518 629 HG3 ARG 78 2HG ARG 78 6.123 -4.472 -8.105 630 HD2 ARG 78 1HD ARG 78 6.749 -6.641 -6.085 631 HD3 ARG 78 2HD ARG 78 6.038 -6.844 -7.687 632 HE ARG 78 HE ARG 78 8.828 -5.927 -7.243 633 HH11 ARG 78 1HH1 ARG 78 6.576 -7.931 -9.034 634 HH12 ARG 78 2HH1 ARG 78 7.806 -8.570 -10.072 635 HH21 ARG 78 1HH2 ARG 78 10.416 -6.811 -8.583 636 HH22 ARG 78 2HH2 ARG 78 9.968 -7.942 -9.820 637 H THR 79 H THR 79 4.401 -2.298 -6.559 638 HA THR 79 HA THR 79 4.420 -1.544 -9.353 639 HB THR 79 HB THR 79 2.648 -3.093 -8.517 640 HG1 THR 79 HG1 THR 79 2.484 -1.140 -10.207 641 HG21 THR 79 3HG2 THR 79 0.678 -2.208 -7.342 642 HG22 THR 79 1HG2 THR 79 1.460 -0.634 -7.178 643 HG23 THR 79 2HG2 THR 79 2.113 -2.037 -6.330 644 H VAL 80 H VAL 80 3.832 0.022 -6.206 645 HA VAL 80 HA VAL 80 2.800 2.496 -7.214 646 HB VAL 80 HB VAL 80 3.898 1.616 -4.531 647 HG11 VAL 80 1HG1 VAL 80 3.116 4.482 -5.147 648 HG12 VAL 80 2HG1 VAL 80 4.729 3.923 -4.710 649 HG13 VAL 80 3HG1 VAL 80 3.417 3.837 -3.531 650 HG21 VAL 80 3HG2 VAL 80 1.586 1.008 -5.155 651 HG22 VAL 80 1HG2 VAL 80 1.197 2.719 -5.387 652 HG23 VAL 80 2HG2 VAL 80 1.592 2.109 -3.772 653 H GLU 81 H GLU 81 6.051 1.334 -6.632 654 HA GLU 81 HA GLU 81 7.420 3.810 -6.927 655 HB2 GLU 81 1HB GLU 81 8.341 0.923 -7.258 656 HB3 GLU 81 2HB GLU 81 9.438 2.307 -7.302 657 HG2 GLU 81 1HG GLU 81 8.878 2.891 -5.017 658 HG3 GLU 81 2HG GLU 81 7.649 1.639 -4.942 659 H GLN 82 H GLN 82 6.195 1.427 -9.119 660 HA GLN 82 HA GLN 82 7.236 2.649 -11.543 661 HB2 GLN 82 1HB GLN 82 6.806 0.214 -11.464 662 HB3 GLN 82 2HB GLN 82 5.108 0.507 -11.117 663 HG2 GLN 82 1HG GLN 82 5.461 -0.155 -13.458 664 HG3 GLN 82 2HG GLN 82 4.790 1.474 -13.352 665 HE21 GLN 82 1HE2 GLN 82 6.065 3.235 -14.026 666 HE22 GLN 82 2HE2 GLN 82 7.542 3.033 -14.891 667 H LEU 83 H LEU 83 4.193 2.629 -9.720 668 HA LEU 83 HA LEU 83 2.591 3.998 -11.661 669 HB2 LEU 83 1HB LEU 83 2.154 3.353 -8.721 670 HB3 LEU 83 2HB LEU 83 0.979 4.257 -9.658 671 HG LEU 83 HG LEU 83 1.862 1.410 -10.255 672 HD11 LEU 83 1HD1 LEU 83 -0.733 2.373 -9.017 673 HD12 LEU 83 2HD1 LEU 83 0.561 1.503 -8.188 674 HD13 LEU 83 3HD1 LEU 83 -0.347 0.710 -9.474 675 HD21 LEU 83 3HD2 LEU 83 1.224 2.557 -12.301 676 HD22 LEU 83 1HD2 LEU 83 -0.286 3.110 -11.567 677 HD23 LEU 83 2HD2 LEU 83 -0.017 1.390 -11.860 678 H LYS 84 H LYS 84 4.771 4.993 -9.190 679 HA LYS 84 HA LYS 84 3.790 7.643 -8.769 680 HB2 LYS 84 1HB LYS 84 5.333 6.496 -7.180 681 HB3 LYS 84 2HB LYS 84 6.601 6.514 -8.400 682 HG2 LYS 84 1HG LYS 84 6.741 8.939 -8.310 683 HG3 LYS 84 2HG LYS 84 5.333 9.022 -7.249 684 HD2 LYS 84 1HD LYS 84 7.496 9.338 -6.054 685 HD3 LYS 84 2HD LYS 84 6.554 7.981 -5.435 686 HE2 LYS 84 1HE LYS 84 7.999 6.403 -6.615 687 HE3 LYS 84 2HE LYS 84 8.872 7.733 -7.383 688 HZ1 LYS 84 3HZ LYS 84 9.639 8.438 -5.224 689 HZ2 LYS 84 1HZ LYS 84 10.073 6.832 -5.507 690 HZ3 LYS 84 2HZ LYS 84 8.785 7.191 -4.471 691 H ALA 85 H ALA 85 6.113 6.100 -10.918 692 HA ALA 85 HA ALA 85 7.050 8.393 -12.304 693 HB1 ALA 85 3HB ALA 85 7.845 6.745 -13.996 694 HB2 ALA 85 1HB ALA 85 6.920 5.478 -13.178 695 HB3 ALA 85 2HB ALA 85 8.269 6.258 -12.355 696 H GLU 86 H GLU 86 4.476 6.032 -12.902 697 HA GLU 86 HA GLU 86 3.653 7.030 -15.439 698 HB2 GLU 86 1HB GLU 86 2.098 5.264 -13.493 699 HB3 GLU 86 2HB GLU 86 1.760 5.463 -15.208 700 HG2 GLU 86 1HG GLU 86 4.181 4.137 -13.959 701 HG3 GLU 86 2HG GLU 86 2.902 3.343 -14.859 702 H SER 87 H SER 87 2.662 7.709 -12.121 703 HA SER 87 HA SER 87 0.374 9.322 -12.901 704 HB2 SER 87 1HB SER 87 0.371 7.969 -10.769 705 HB3 SER 87 2HB SER 87 1.612 9.040 -10.124 706 HG SER 87 HG SER 87 -0.444 10.511 -11.044 707 H ALA 88 H ALA 88 3.770 9.802 -12.233 708 HA ALA 88 HA ALA 88 3.696 12.642 -11.772 709 HB1 ALA 88 3HB ALA 88 6.148 12.547 -12.059 710 HB2 ALA 88 1HB ALA 88 6.029 10.888 -12.652 711 HB3 ALA 88 2HB ALA 88 5.600 11.263 -10.983 712 H LEU 89 H LEU 89 4.289 10.532 -14.576 713 HA LEU 89 HA LEU 89 4.496 12.681 -16.485 714 HB2 LEU 89 1HB LEU 89 4.449 9.658 -16.678 715 HB3 LEU 89 2HB LEU 89 4.216 10.612 -18.131 716 HG LEU 89 HG LEU 89 6.534 9.927 -17.984 717 HD11 LEU 89 1HD1 LEU 89 6.333 12.893 -17.408 718 HD12 LEU 89 2HD1 LEU 89 6.090 12.117 -18.976 719 HD13 LEU 89 3HD1 LEU 89 7.672 12.061 -18.207 720 HD21 LEU 89 3HD2 LEU 89 6.767 9.578 -15.590 721 HD22 LEU 89 1HD2 LEU 89 6.691 11.316 -15.296 722 HD23 LEU 89 2HD2 LEU 89 8.055 10.623 -16.181 723 H GLU 90 H GLU 90 1.872 11.498 -14.835 724 HA GLU 90 HA GLU 90 -0.073 12.062 -16.980 725 HB2 GLU 90 1HB GLU 90 -0.430 10.018 -15.615 726 HB3 GLU 90 2HB GLU 90 -0.476 10.989 -14.148 727 HG2 GLU 90 1HG GLU 90 -2.515 12.132 -14.989 728 HG3 GLU 90 2HG GLU 90 -2.471 11.118 -16.431 729 H282 PNS 101 2H28 PNS 142 -13.156 -2.066 -6.873 730 H281 PNS 101 3H28 PNS 142 -12.475 -2.364 -5.291 731 H303 PNS 101 2H51 PNS 142 -14.511 -3.948 -8.013 732 H302 PNS 101 3H51 PNS 142 -15.474 -4.165 -6.555 733 H301 PNS 101 1H51 PNS 142 -14.577 -5.537 -7.237 734 H313 PNS 101 2H52 PNS 142 -13.465 -5.908 -5.029 735 H312 PNS 101 3H52 PNS 142 -12.575 -4.607 -4.247 736 H311 PNS 101 1H52 PNS 142 -14.342 -4.539 -4.324 737 H32 PNS 101 H32 PNS 142 -11.974 -3.934 -7.852 738 H33 PNS 101 H33 PNS 142 -10.835 -3.137 -6.095 739 H36 PNS 101 H36 PNS 142 -10.954 -6.158 -5.528 740 H372 PNS 101 2H37 PNS 142 -10.193 -8.313 -7.029 741 H371 PNS 101 3H37 PNS 142 -11.858 -8.667 -6.545 742 H382 PNS 101 2H38 PNS 142 -10.187 -9.557 -4.914 743 H381 PNS 101 3H38 PNS 142 -11.276 -8.367 -4.189 744 H41 PNS 101 H41 PNS 142 -10.537 -6.298 -3.763 745 H422 PNS 101 2H42 PNS 142 -7.704 -5.952 -3.140 746 H421 PNS 101 3H42 PNS 142 -8.496 -4.765 -4.185 747 H431 PNS 101 2H43 PNS 142 -9.407 -5.456 -1.380 748 H432 PNS 101 3H43 PNS 142 -8.499 -4.002 -1.843 749 H44 PNS 101 H44 PNS 142 -10.479 -3.056 -3.595
Contact the webmaster for help, if required. Wednesday, June 5, 2024 6:09:40 AM GMT (wattos1)