NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
620046 | 5uce | 30222 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 -12.012 -10.778 4.246 2 HA MET 1 HA MET 1 -13.210 -10.171 1.643 3 HB2 MET 1 2HB MET 1 -14.780 -10.026 4.218 4 HB3 MET 1 3HB MET 1 -15.378 -9.740 2.589 5 HG2 MET 1 2HG MET 1 -15.089 -12.061 2.024 6 HG3 MET 1 3HG MET 1 -14.341 -12.381 3.587 7 HE1 MET 1 1HE MET 1 -18.175 -11.514 2.009 8 HE2 MET 1 2HE MET 1 -17.001 -12.722 1.487 9 HE3 MET 1 3HE MET 1 -18.382 -13.202 2.474 10 H THR 2 H THR 2 -12.870 -8.123 1.089 11 HA THR 2 HA THR 2 -11.429 -6.321 2.658 12 HB THR 2 HB THR 2 -13.269 -5.485 0.419 13 HG1 THR 2 HG1 THR 2 -12.062 -6.603 -0.901 14 HG21 THR 2 1HG2 THR 2 -11.005 -4.081 0.091 15 HG22 THR 2 2HG2 THR 2 -10.946 -4.319 1.837 16 HG23 THR 2 3HG2 THR 2 -12.340 -3.528 1.102 17 H PHE 3 H PHE 3 -12.001 -4.445 3.771 18 HA PHE 3 HA PHE 3 -14.825 -3.894 4.223 19 HB2 PHE 3 2HB PHE 3 -12.909 -4.794 6.365 20 HB3 PHE 3 3HB PHE 3 -14.323 -3.815 6.747 21 HD1 PHE 3 HD1 PHE 3 -13.126 -7.056 6.606 22 HD2 PHE 3 HD2 PHE 3 -16.564 -4.757 5.597 23 HE1 PHE 3 HE1 PHE 3 -14.505 -9.091 6.684 24 HE2 PHE 3 HE2 PHE 3 -17.949 -6.789 5.675 25 HZ PHE 3 HZ PHE 3 -16.920 -8.960 6.219 26 H LYS 4 H LYS 4 -15.039 -1.938 5.741 27 HA LYS 4 HA LYS 4 -12.775 -0.102 5.533 28 HB2 LYS 4 2HB LYS 4 -13.856 0.543 3.568 29 HB3 LYS 4 3HB LYS 4 -15.457 0.268 4.242 30 HG2 LYS 4 2HG LYS 4 -15.506 2.291 5.315 31 HG3 LYS 4 3HG LYS 4 -13.747 2.400 5.421 32 HD2 LYS 4 2HD LYS 4 -13.840 2.573 2.842 33 HD3 LYS 4 3HD LYS 4 -15.542 2.971 3.089 34 HE2 LYS 4 2HE LYS 4 -15.030 4.921 4.278 35 HE3 LYS 4 3HE LYS 4 -13.368 4.411 4.574 36 HZ1 LYS 4 1HZ LYS 4 -13.633 4.498 1.839 37 HZ2 LYS 4 2HZ LYS 4 -12.814 5.612 2.812 38 HZ3 LYS 4 3HZ LYS 4 -14.429 5.886 2.390 39 H ALA 5 H ALA 5 -12.460 0.350 7.622 40 HA ALA 5 HA ALA 5 -14.761 0.761 9.379 41 HB1 ALA 5 1HB ALA 5 -12.777 -0.726 9.984 42 HB2 ALA 5 2HB ALA 5 -11.882 0.774 10.232 43 HB3 ALA 5 3HB ALA 5 -13.319 0.434 11.197 44 H ILE 6 H ILE 6 -15.320 2.695 10.205 45 HA ILE 6 HA ILE 6 -13.650 5.008 9.468 46 HB ILE 6 HB ILE 6 -16.637 4.781 9.795 47 HG12 ILE 6 2HG1 ILE 6 -16.433 5.924 7.473 48 HG13 ILE 6 3HG1 ILE 6 -14.757 5.388 7.527 49 HG21 ILE 6 1HG2 ILE 6 -16.613 7.261 9.255 50 HG22 ILE 6 2HG2 ILE 6 -16.131 6.805 10.888 51 HG23 ILE 6 3HG2 ILE 6 -14.905 7.235 9.696 52 HD11 ILE 6 1HD1 ILE 6 -16.855 3.374 8.078 53 HD12 ILE 6 2HD1 ILE 6 -16.671 3.943 6.419 54 HD13 ILE 6 3HD1 ILE 6 -15.305 3.205 7.255 55 H ILE 7 H ILE 7 -13.136 6.525 10.991 56 HA ILE 7 HA ILE 7 -14.023 5.981 13.749 57 HB ILE 7 HB ILE 7 -11.679 7.189 14.209 58 HG12 ILE 7 2HG1 ILE 7 -10.927 5.436 11.899 59 HG13 ILE 7 3HG1 ILE 7 -11.394 7.106 11.597 60 HG21 ILE 7 1HG2 ILE 7 -12.251 5.149 15.259 61 HG22 ILE 7 2HG2 ILE 7 -12.216 4.269 13.733 62 HG23 ILE 7 3HG2 ILE 7 -10.715 4.866 14.440 63 HD11 ILE 7 1HD1 ILE 7 -9.100 7.233 11.775 64 HD12 ILE 7 2HD1 ILE 7 -9.632 7.669 13.400 65 HD13 ILE 7 3HD1 ILE 7 -9.030 6.043 13.076 66 H ASN 8 H ASN 8 -14.734 7.673 14.927 67 HA ASN 8 HA ASN 8 -14.155 10.397 14.111 68 HB2 ASN 8 2HB ASN 8 -16.459 9.193 13.137 69 HB3 ASN 8 3HB ASN 8 -17.024 10.099 14.538 70 HD21 ASN 8 1HD2 ASN 8 -15.786 10.261 11.340 71 HD22 ASN 8 2HD2 ASN 8 -15.912 11.973 11.143 72 H GLY 9 H GLY 9 -13.724 11.508 15.895 73 HA2 GLY 9 2HA GLY 9 -14.905 10.580 18.434 74 HA3 GLY 9 3HA GLY 9 -13.372 11.426 18.290 75 H LYS 10 H LYS 10 -14.732 12.550 20.108 76 HA LYS 10 HA LYS 10 -16.849 14.238 19.591 77 HB2 LYS 10 2HB LYS 10 -14.544 14.398 21.504 78 HB3 LYS 10 3HB LYS 10 -15.702 15.718 21.408 79 HG2 LYS 10 2HG LYS 10 -17.488 13.904 21.751 80 HG3 LYS 10 3HG LYS 10 -16.144 12.889 22.280 81 HD2 LYS 10 2HD LYS 10 -16.714 15.612 23.437 82 HD3 LYS 10 3HD LYS 10 -17.372 14.118 24.109 83 HE2 LYS 10 2HE LYS 10 -15.332 13.399 24.863 84 HE3 LYS 10 3HE LYS 10 -14.442 14.279 23.622 85 HZ1 LYS 10 1HZ LYS 10 -15.024 15.064 26.266 86 HZ2 LYS 10 2HZ LYS 10 -15.723 16.172 25.196 87 HZ3 LYS 10 3HZ LYS 10 -14.065 15.850 25.116 88 H THR 11 H THR 11 -13.381 14.936 19.244 89 HA THR 11 HA THR 11 -14.060 17.021 17.302 90 HB THR 11 HB THR 11 -12.132 18.396 18.341 91 HG1 THR 11 HG1 THR 11 -12.606 16.440 20.277 92 HG21 THR 11 1HG2 THR 11 -14.512 19.063 18.344 93 HG22 THR 11 2HG2 THR 11 -13.671 19.568 19.809 94 HG23 THR 11 3HG2 THR 11 -14.741 18.166 19.844 95 H LEU 12 H LEU 12 -12.934 14.283 17.175 96 HA LEU 12 HA LEU 12 -10.399 14.964 15.840 97 HB2 LEU 12 2HB LEU 12 -9.998 13.725 17.920 98 HB3 LEU 12 3HB LEU 12 -11.036 12.425 17.337 99 HG LEU 12 HG LEU 12 -9.316 12.345 15.362 100 HD11 LEU 12 1HD1 LEU 12 -7.911 14.144 15.756 101 HD12 LEU 12 2HD1 LEU 12 -7.003 12.788 16.423 102 HD13 LEU 12 3HD1 LEU 12 -7.883 13.873 17.498 103 HD21 LEU 12 1HD2 LEU 12 -7.814 10.962 17.097 104 HD22 LEU 12 2HD2 LEU 12 -9.365 10.385 16.489 105 HD23 LEU 12 3HD2 LEU 12 -9.272 11.163 18.069 106 H LYS 13 H LYS 13 -10.253 14.378 13.769 107 HA LYS 13 HA LYS 13 -12.497 13.082 12.509 108 HB2 LYS 13 2HB LYS 13 -11.356 13.559 10.420 109 HB3 LYS 13 3HB LYS 13 -11.334 14.985 11.448 110 HG2 LYS 13 2HG LYS 13 -9.012 14.260 12.161 111 HG3 LYS 13 3HG LYS 13 -9.075 13.110 10.824 112 HD2 LYS 13 2HD LYS 13 -9.594 15.059 9.316 113 HD3 LYS 13 3HD LYS 13 -9.227 16.116 10.682 114 HE2 LYS 13 2HE LYS 13 -7.200 16.045 9.584 115 HE3 LYS 13 3HE LYS 13 -7.005 14.762 10.778 116 HZ1 LYS 13 1HZ LYS 13 -6.599 13.373 9.122 117 HZ2 LYS 13 2HZ LYS 13 -6.881 14.583 7.974 118 HZ3 LYS 13 3HZ LYS 13 -8.162 13.622 8.519 119 H GLY 14 H GLY 14 -12.037 11.353 10.815 120 HA2 GLY 14 2HA GLY 14 -9.814 9.623 11.108 121 HA3 GLY 14 3HA GLY 14 -11.164 9.020 12.058 122 H GLU 15 H GLU 15 -9.789 7.979 9.612 123 HA GLU 15 HA GLU 15 -12.026 6.897 8.323 124 HB2 GLU 15 2HB GLU 15 -11.697 7.998 6.070 125 HB3 GLU 15 3HB GLU 15 -12.450 8.996 7.305 126 HG2 GLU 15 2HG GLU 15 -10.247 10.040 7.739 127 HG3 GLU 15 3HG GLU 15 -9.585 9.111 6.395 128 H THR 16 H THR 16 -11.319 4.985 7.674 129 HA THR 16 HA THR 16 -8.935 4.707 6.088 130 HB THR 16 HB THR 16 -8.778 2.899 8.406 131 HG1 THR 16 HG1 THR 16 -8.421 4.382 9.892 132 HG21 THR 16 1HG2 THR 16 -7.045 4.155 6.427 133 HG22 THR 16 2HG2 THR 16 -6.842 2.641 7.308 134 HG23 THR 16 3HG2 THR 16 -6.355 4.165 8.050 135 H THR 17 H THR 17 -8.481 2.168 5.906 136 HA THR 17 HA THR 17 -10.959 0.639 5.937 137 HB THR 17 HB THR 17 -10.863 0.023 3.600 138 HG1 THR 17 HG1 THR 17 -8.455 1.464 3.697 139 HG21 THR 17 1HG2 THR 17 -10.625 3.024 3.677 140 HG22 THR 17 2HG2 THR 17 -12.019 2.167 4.336 141 HG23 THR 17 3HG2 THR 17 -11.631 2.033 2.621 142 H THR 18 H THR 18 -10.607 -1.651 5.386 143 HA THR 18 HA THR 18 -8.006 -2.743 5.138 144 HB THR 18 HB THR 18 -7.870 -1.965 7.504 145 HG1 THR 18 HG1 THR 18 -7.915 -4.805 7.357 146 HG21 THR 18 1HG2 THR 18 -10.029 -4.029 7.964 147 HG22 THR 18 2HG2 THR 18 -10.229 -2.282 8.106 148 HG23 THR 18 3HG2 THR 18 -9.159 -3.142 9.215 149 H GLU 19 H GLU 19 -8.007 -5.061 5.081 150 HA GLU 19 HA GLU 19 -10.667 -6.139 4.496 151 HB2 GLU 19 2HB GLU 19 -7.952 -7.302 3.854 152 HB3 GLU 19 3HB GLU 19 -9.503 -7.905 3.287 153 HG2 GLU 19 2HG GLU 19 -9.626 -6.400 1.643 154 HG3 GLU 19 3HG GLU 19 -9.021 -5.093 2.660 155 H ALA 20 H ALA 20 -11.420 -8.058 5.392 156 HA ALA 20 HA ALA 20 -9.833 -9.388 7.435 157 HB1 ALA 20 1HB ALA 20 -11.448 -9.109 9.194 158 HB2 ALA 20 2HB ALA 20 -10.968 -7.518 8.602 159 HB3 ALA 20 3HB ALA 20 -12.519 -8.205 8.122 160 H VAL 21 H VAL 21 -10.416 -11.500 7.774 161 HA VAL 21 HA VAL 21 -12.359 -12.590 5.885 162 HB VAL 21 HB VAL 21 -10.127 -13.605 5.938 163 HG11 VAL 21 1HG1 VAL 21 -10.825 -14.418 8.758 164 HG12 VAL 21 2HG1 VAL 21 -9.380 -14.894 7.864 165 HG13 VAL 21 3HG1 VAL 21 -9.628 -13.204 8.306 166 HG21 VAL 21 1HG2 VAL 21 -12.067 -14.957 5.296 167 HG22 VAL 21 2HG2 VAL 21 -10.828 -15.934 6.083 168 HG23 VAL 21 3HG2 VAL 21 -12.273 -15.456 6.974 169 H ASP 22 H ASP 22 -11.762 -12.324 9.331 170 HA ASP 22 HA ASP 22 -14.455 -13.405 9.815 171 HB2 ASP 22 2HB ASP 22 -12.122 -14.671 10.583 172 HB3 ASP 22 3HB ASP 22 -12.594 -13.794 12.036 173 H ALA 23 H ALA 23 -15.197 -12.798 12.114 174 HA ALA 23 HA ALA 23 -15.297 -9.990 12.290 175 HB1 ALA 23 1HB ALA 23 -16.480 -12.242 13.655 176 HB2 ALA 23 2HB ALA 23 -16.063 -10.954 14.785 177 HB3 ALA 23 3HB ALA 23 -17.114 -10.614 13.410 178 H ALA 24 H ALA 24 -13.185 -12.354 13.719 179 HA ALA 24 HA ALA 24 -12.103 -10.488 15.659 180 HB1 ALA 24 1HB ALA 24 -10.475 -12.449 16.032 181 HB2 ALA 24 2HB ALA 24 -12.161 -12.651 16.507 182 HB3 ALA 24 3HB ALA 24 -11.579 -13.362 15.002 183 H THR 25 H THR 25 -11.297 -11.795 12.520 184 HA THR 25 HA THR 25 -8.604 -11.260 12.322 185 HB THR 25 HB THR 25 -10.625 -10.778 10.125 186 HG1 THR 25 HG1 THR 25 -9.189 -13.181 10.561 187 HG21 THR 25 1HG2 THR 25 -7.980 -11.893 9.502 188 HG22 THR 25 2HG2 THR 25 -7.956 -10.231 10.094 189 HG23 THR 25 3HG2 THR 25 -8.911 -10.647 8.670 190 H ALA 26 H ALA 26 -11.315 -9.022 11.935 191 HA ALA 26 HA ALA 26 -9.620 -6.799 11.252 192 HB1 ALA 26 1HB ALA 26 -11.872 -5.552 11.759 193 HB2 ALA 26 2HB ALA 26 -11.688 -6.528 10.302 194 HB3 ALA 26 3HB ALA 26 -12.540 -7.185 11.700 195 H GLU 27 H GLU 27 -10.976 -8.159 14.155 196 HA GLU 27 HA GLU 27 -10.585 -5.838 15.786 197 HB2 GLU 27 2HB GLU 27 -12.242 -7.340 16.545 198 HB3 GLU 27 3HB GLU 27 -11.177 -8.728 16.377 199 HG2 GLU 27 2HG GLU 27 -9.875 -8.036 18.264 200 HG3 GLU 27 3HG GLU 27 -10.764 -6.519 18.375 201 H LYS 28 H LYS 28 -8.682 -8.635 14.912 202 HA LYS 28 HA LYS 28 -6.645 -8.107 16.896 203 HB2 LYS 28 2HB LYS 28 -6.970 -10.120 14.688 204 HB3 LYS 28 3HB LYS 28 -5.422 -9.923 15.501 205 HG2 LYS 28 2HG LYS 28 -7.955 -10.434 17.023 206 HG3 LYS 28 3HG LYS 28 -6.979 -11.744 16.355 207 HD2 LYS 28 2HD LYS 28 -5.014 -10.663 17.589 208 HD3 LYS 28 3HD LYS 28 -6.236 -9.737 18.464 209 HE2 LYS 28 2HE LYS 28 -7.191 -11.694 19.387 210 HE3 LYS 28 3HE LYS 28 -6.299 -12.738 18.281 211 HZ1 LYS 28 1HZ LYS 28 -5.186 -12.890 20.315 212 HZ2 LYS 28 2HZ LYS 28 -5.265 -11.226 20.603 213 HZ3 LYS 28 3HZ LYS 28 -4.236 -11.829 19.402 214 H VAL 29 H VAL 29 -7.263 -7.363 13.557 215 HA VAL 29 HA VAL 29 -4.553 -6.528 13.004 216 HB VAL 29 HB VAL 29 -6.294 -7.451 11.313 217 HG11 VAL 29 1HG1 VAL 29 -6.963 -4.601 10.804 218 HG12 VAL 29 2HG1 VAL 29 -7.877 -6.064 10.431 219 HG13 VAL 29 3HG1 VAL 29 -7.839 -5.443 12.082 220 HG21 VAL 29 1HG2 VAL 29 -4.731 -4.993 10.539 221 HG22 VAL 29 2HG2 VAL 29 -4.003 -6.574 10.817 222 HG23 VAL 29 3HG2 VAL 29 -5.166 -6.358 9.510 223 H PHE 30 H PHE 30 -7.444 -5.115 14.239 224 HA PHE 30 HA PHE 30 -6.587 -2.394 13.693 225 HB2 PHE 30 2HB PHE 30 -9.047 -3.682 14.764 226 HB3 PHE 30 3HB PHE 30 -8.712 -2.031 15.275 227 HD1 PHE 30 HD1 PHE 30 -7.571 -0.812 12.907 228 HD2 PHE 30 HD2 PHE 30 -10.783 -3.583 13.254 229 HE1 PHE 30 HE1 PHE 30 -8.522 0.033 10.801 230 HE2 PHE 30 HE2 PHE 30 -11.739 -2.744 11.149 231 HZ PHE 30 HZ PHE 30 -10.608 -0.934 9.919 232 H LYS 31 H LYS 31 -6.589 -4.697 16.299 233 HA LYS 31 HA LYS 31 -6.271 -3.033 18.502 234 HB2 LYS 31 2HB LYS 31 -5.428 -4.917 19.660 235 HB3 LYS 31 3HB LYS 31 -6.560 -5.556 18.476 236 HG2 LYS 31 2HG LYS 31 -4.911 -6.986 17.999 237 HG3 LYS 31 3HG LYS 31 -4.235 -5.639 17.079 238 HD2 LYS 31 2HD LYS 31 -2.414 -6.116 18.351 239 HD3 LYS 31 3HD LYS 31 -3.239 -5.040 19.483 240 HE2 LYS 31 2HE LYS 31 -3.780 -7.985 19.510 241 HE3 LYS 31 3HE LYS 31 -2.353 -7.333 20.314 242 HZ1 LYS 31 1HZ LYS 31 -3.725 -7.064 22.037 243 HZ2 LYS 31 2HZ LYS 31 -5.122 -7.197 21.094 244 HZ3 LYS 31 3HZ LYS 31 -4.315 -5.715 21.204 245 H GLN 32 H GLN 32 -4.065 -3.790 15.948 246 HA GLN 32 HA GLN 32 -1.741 -2.829 17.389 247 HB2 GLN 32 2HB GLN 32 -0.475 -3.434 15.479 248 HB3 GLN 32 3HB GLN 32 -1.683 -4.696 15.680 249 HG2 GLN 32 2HG GLN 32 -3.000 -3.047 14.014 250 HG3 GLN 32 3HG GLN 32 -1.338 -2.729 13.522 251 HE21 GLN 32 1HE2 GLN 32 -1.645 -3.691 11.518 252 HE22 GLN 32 2HE2 GLN 32 -1.777 -5.403 11.328 253 H TYR 33 H TYR 33 -4.135 -1.608 15.209 254 HA TYR 33 HA TYR 33 -2.603 0.740 14.491 255 HB2 TYR 33 2HB TYR 33 -5.303 -0.337 13.805 256 HB3 TYR 33 3HB TYR 33 -4.999 1.380 13.572 257 HD1 TYR 33 HD1 TYR 33 -4.776 -1.815 12.100 258 HD2 TYR 33 HD2 TYR 33 -2.824 1.963 12.226 259 HE1 TYR 33 HE1 TYR 33 -3.702 -2.305 9.942 260 HE2 TYR 33 HE2 TYR 33 -1.744 1.484 10.068 261 HH TYR 33 HH TYR 33 -1.105 -0.606 8.755 262 H PHE 34 H PHE 34 -5.266 -0.103 16.638 263 HA PHE 34 HA PHE 34 -6.107 2.421 17.407 264 HB2 PHE 34 2HB PHE 34 -6.104 -0.263 18.700 265 HB3 PHE 34 3HB PHE 34 -6.466 1.132 19.712 266 HD1 PHE 34 HD1 PHE 34 -7.363 0.289 16.192 267 HD2 PHE 34 HD2 PHE 34 -8.724 1.182 20.125 268 HE1 PHE 34 HE1 PHE 34 -9.689 0.262 15.389 269 HE2 PHE 34 HE2 PHE 34 -11.052 1.155 19.329 270 HZ PHE 34 HZ PHE 34 -11.536 0.694 16.958 271 H ASN 35 H ASN 35 -3.225 0.676 18.279 272 HA ASN 35 HA ASN 35 -2.500 2.072 20.597 273 HB2 ASN 35 2HB ASN 35 -1.394 -0.003 19.868 274 HB3 ASN 35 3HB ASN 35 -0.697 0.850 18.493 275 HD21 ASN 35 1HD2 ASN 35 1.396 1.007 18.856 276 HD22 ASN 35 2HD2 ASN 35 2.132 1.557 20.319 277 H ASP 36 H ASP 36 -2.442 2.992 17.271 278 HA ASP 36 HA ASP 36 -0.453 4.902 17.171 279 HB2 ASP 36 2HB ASP 36 -1.640 4.316 15.173 280 HB3 ASP 36 3HB ASP 36 -3.170 4.865 15.853 281 H ASN 37 H ASN 37 -3.814 5.307 18.249 282 HA ASN 37 HA ASN 37 -3.107 7.956 19.302 283 HB2 ASN 37 2HB ASN 37 -5.014 8.049 17.850 284 HB3 ASN 37 3HB ASN 37 -5.780 6.696 18.676 285 HD21 ASN 37 1HD2 ASN 37 -4.584 9.977 19.233 286 HD22 ASN 37 2HD2 ASN 37 -5.795 10.409 20.387 287 H GLY 38 H GLY 38 -3.896 4.743 20.222 288 HA2 GLY 38 2HA GLY 38 -3.847 3.752 22.302 289 HA3 GLY 38 3HA GLY 38 -3.378 5.306 22.977 290 H LEU 39 H LEU 39 -6.292 4.630 21.107 291 HA LEU 39 HA LEU 39 -7.896 5.677 23.295 292 HB2 LEU 39 2HB LEU 39 -9.687 5.807 21.724 293 HB3 LEU 39 3HB LEU 39 -8.231 6.440 20.960 294 HG LEU 39 HG LEU 39 -8.890 3.590 20.469 295 HD11 LEU 39 1HD1 LEU 39 -10.226 5.456 18.643 296 HD12 LEU 39 2HD1 LEU 39 -10.951 5.338 20.246 297 HD13 LEU 39 3HD1 LEU 39 -10.753 3.890 19.259 298 HD21 LEU 39 1HD2 LEU 39 -7.007 4.196 19.319 299 HD22 LEU 39 2HD2 LEU 39 -7.549 5.858 19.082 300 HD23 LEU 39 3HD2 LEU 39 -8.240 4.557 18.111 301 H ASP 40 H ASP 40 -10.070 4.561 23.654 302 HA ASP 40 HA ASP 40 -9.713 1.637 23.678 303 HB2 ASP 40 2HB ASP 40 -10.999 1.705 25.880 304 HB3 ASP 40 3HB ASP 40 -9.334 2.278 25.924 305 H GLY 41 H GLY 41 -11.188 3.455 21.852 306 HA2 GLY 41 2HA GLY 41 -13.965 3.301 22.381 307 HA3 GLY 41 3HA GLY 41 -13.231 3.588 20.810 308 H GLU 42 H GLU 42 -15.328 2.228 20.444 309 HA GLU 42 HA GLU 42 -14.510 -0.602 20.331 310 HB2 GLU 42 2HB GLU 42 -17.296 0.505 20.716 311 HB3 GLU 42 3HB GLU 42 -16.912 -1.194 20.482 312 HG2 GLU 42 2HG GLU 42 -15.298 -0.327 22.599 313 HG3 GLU 42 3HG GLU 42 -16.896 0.362 22.886 314 H TRP 43 H TRP 43 -15.582 -1.829 18.562 315 HA TRP 43 HA TRP 43 -16.148 -0.128 16.228 316 HB2 TRP 43 2HB TRP 43 -14.794 -1.478 14.813 317 HB3 TRP 43 3HB TRP 43 -13.813 -1.118 16.232 318 HD1 TRP 43 HD1 TRP 43 -13.817 -3.196 18.154 319 HE1 TRP 43 HE1 TRP 43 -13.662 -5.729 17.722 320 HE3 TRP 43 HE3 TRP 43 -15.295 -3.276 13.261 321 HZ2 TRP 43 HZ2 TRP 43 -14.108 -7.523 15.588 322 HZ3 TRP 43 HZ3 TRP 43 -15.404 -5.441 12.097 323 HH2 TRP 43 HH2 TRP 43 -14.822 -7.519 13.237 324 H THR 44 H THR 44 -17.849 -0.721 15.001 325 HA THR 44 HA THR 44 -19.405 -3.022 15.911 326 HB THR 44 HB THR 44 -20.329 -1.025 13.859 327 HG1 THR 44 HG1 THR 44 -21.106 0.236 15.591 328 HG21 THR 44 1HG2 THR 44 -21.926 -2.673 13.980 329 HG22 THR 44 2HG2 THR 44 -22.499 -1.589 15.247 330 HG23 THR 44 3HG2 THR 44 -21.582 -3.035 15.671 331 H TYR 45 H TYR 45 -20.481 -4.388 14.296 332 HA TYR 45 HA TYR 45 -18.779 -4.788 11.924 333 HB2 TYR 45 2HB TYR 45 -19.619 -7.208 12.102 334 HB3 TYR 45 3HB TYR 45 -18.433 -6.674 13.289 335 HD1 TYR 45 HD1 TYR 45 -21.825 -7.846 12.756 336 HD2 TYR 45 HD2 TYR 45 -19.146 -6.181 15.612 337 HE1 TYR 45 HE1 TYR 45 -23.343 -8.527 14.568 338 HE2 TYR 45 HE2 TYR 45 -20.656 -6.860 17.432 339 HH TYR 45 HH TYR 45 -22.506 -7.971 17.971 340 H ASP 46 H ASP 46 -19.790 -4.145 10.148 341 HA ASP 46 HA ASP 46 -22.638 -4.827 9.834 342 HB2 ASP 46 2HB ASP 46 -21.451 -2.366 8.584 343 HB3 ASP 46 3HB ASP 46 -23.144 -2.742 8.890 344 H ASP 47 H ASP 47 -22.194 -6.658 8.621 345 HA ASP 47 HA ASP 47 -20.442 -6.587 6.352 346 HB2 ASP 47 2HB ASP 47 -21.481 -8.593 7.915 347 HB3 ASP 47 3HB ASP 47 -22.416 -8.757 6.432 348 H ALA 48 H ALA 48 -23.787 -5.946 6.923 349 HA ALA 48 HA ALA 48 -24.954 -6.433 4.469 350 HB1 ALA 48 1HB ALA 48 -25.525 -4.050 6.224 351 HB2 ALA 48 2HB ALA 48 -26.615 -4.797 5.056 352 HB3 ALA 48 3HB ALA 48 -26.145 -5.677 6.510 353 H THR 49 H THR 49 -22.849 -3.801 5.435 354 HA THR 49 HA THR 49 -22.861 -2.850 2.646 355 HB THR 49 HB THR 49 -23.956 -1.131 3.867 356 HG1 THR 49 HG1 THR 49 -22.613 0.516 3.362 357 HG21 THR 49 1HG2 THR 49 -22.108 -0.260 5.803 358 HG22 THR 49 2HG2 THR 49 -22.260 -2.005 6.012 359 HG23 THR 49 3HG2 THR 49 -23.694 -0.982 6.074 360 H LYS 50 H LYS 50 -21.090 -4.277 5.041 361 HA LYS 50 HA LYS 50 -18.882 -4.757 5.299 362 HB2 LYS 50 2HB LYS 50 -18.480 -3.448 2.608 363 HB3 LYS 50 3HB LYS 50 -17.429 -4.624 3.386 364 HG2 LYS 50 2HG LYS 50 -18.483 -6.112 2.100 365 HG3 LYS 50 3HG LYS 50 -19.785 -5.982 3.285 366 HD2 LYS 50 2HD LYS 50 -21.054 -4.599 1.928 367 HD3 LYS 50 3HD LYS 50 -19.657 -4.073 0.986 368 HE2 LYS 50 2HE LYS 50 -19.617 -6.021 -0.275 369 HE3 LYS 50 3HE LYS 50 -20.528 -6.935 0.926 370 HZ1 LYS 50 1HZ LYS 50 -22.437 -5.395 0.359 371 HZ2 LYS 50 2HZ LYS 50 -22.016 -6.540 -0.813 372 HZ3 LYS 50 3HZ LYS 50 -21.538 -4.927 -0.997 373 H THR 51 H THR 51 -19.597 -2.642 6.712 374 HA THR 51 HA THR 51 -17.222 -0.953 6.616 375 HB THR 51 HB THR 51 -20.034 0.149 6.561 376 HG1 THR 51 HG1 THR 51 -19.246 1.206 4.709 377 HG21 THR 51 1HG2 THR 51 -18.291 2.295 6.556 378 HG22 THR 51 2HG2 THR 51 -17.619 1.220 7.782 379 HG23 THR 51 3HG2 THR 51 -19.289 1.772 7.911 380 H PHE 52 H PHE 52 -16.425 -0.579 8.592 381 HA PHE 52 HA PHE 52 -18.047 -1.406 10.893 382 HB2 PHE 52 2HB PHE 52 -15.058 -0.958 10.745 383 HB3 PHE 52 3HB PHE 52 -15.946 -1.657 12.095 384 HD1 PHE 52 HD1 PHE 52 -17.755 -3.519 10.767 385 HD2 PHE 52 HD2 PHE 52 -13.672 -2.630 9.961 386 HE1 PHE 52 HE1 PHE 52 -17.461 -5.762 9.800 387 HE2 PHE 52 HE2 PHE 52 -13.371 -4.870 8.990 388 HZ PHE 52 HZ PHE 52 -15.267 -6.440 8.909 389 H THR 53 H THR 53 -18.743 0.024 12.345 390 HA THR 53 HA THR 53 -17.964 2.820 12.025 391 HB THR 53 HB THR 53 -19.906 3.410 13.260 392 HG1 THR 53 HG1 THR 53 -20.698 2.140 14.759 393 HG21 THR 53 1HG2 THR 53 -20.559 1.029 11.519 394 HG22 THR 53 2HG2 THR 53 -20.382 2.699 10.981 395 HG23 THR 53 3HG2 THR 53 -21.712 2.253 12.048 396 H VAL 54 H VAL 54 -16.670 3.852 13.405 397 HA VAL 54 HA VAL 54 -16.280 2.743 16.097 398 HB VAL 54 HB VAL 54 -14.040 3.691 14.305 399 HG11 VAL 54 1HG1 VAL 54 -13.555 4.247 16.580 400 HG12 VAL 54 2HG1 VAL 54 -14.056 2.648 17.132 401 HG13 VAL 54 3HG1 VAL 54 -12.601 2.827 16.153 402 HG21 VAL 54 1HG2 VAL 54 -13.325 1.427 14.161 403 HG22 VAL 54 2HG2 VAL 54 -14.528 0.904 15.338 404 HG23 VAL 54 3HG2 VAL 54 -15.038 1.451 13.742 405 H THR 55 H THR 55 -15.819 4.236 17.706 406 HA THR 55 HA THR 55 -15.922 7.071 16.912 407 HB THR 55 HB THR 55 -17.101 7.272 19.281 408 HG1 THR 55 HG1 THR 55 -18.085 5.486 19.931 409 HG21 THR 55 1HG2 THR 55 -17.931 7.855 16.912 410 HG22 THR 55 2HG2 THR 55 -19.137 7.575 18.169 411 HG23 THR 55 3HG2 THR 55 -18.785 6.314 16.988 412 H GLU 56 H GLU 56 -13.966 7.863 17.360 413 HA GLU 56 HA GLU 56 -12.361 6.831 19.517 414 HB2 GLU 56 2HB GLU 56 -11.815 9.272 17.827 415 HB3 GLU 56 3HB GLU 56 -10.651 8.325 18.744 416 HG2 GLU 56 2HG GLU 56 -11.633 6.415 17.130 417 HG3 GLU 56 3HG GLU 56 -11.834 7.828 16.096 Start of MODEL 2 1 H1 MET 1 H MET 1 -11.779 -10.695 3.882 2 HA MET 1 HA MET 1 -13.155 -10.253 1.331 3 HB2 MET 1 2HB MET 1 -14.508 -10.370 4.032 4 HB3 MET 1 3HB MET 1 -15.276 -9.824 2.548 5 HG2 MET 1 2HG MET 1 -14.024 -12.504 2.515 6 HG3 MET 1 3HG MET 1 -15.499 -12.307 3.458 7 HE1 MET 1 1HE MET 1 -17.174 -13.993 0.642 8 HE2 MET 1 2HE MET 1 -15.444 -14.274 0.446 9 HE3 MET 1 3HE MET 1 -16.151 -14.215 2.061 10 H THR 2 H THR 2 -13.042 -8.199 0.711 11 HA THR 2 HA THR 2 -11.627 -6.235 2.040 12 HB THR 2 HB THR 2 -13.882 -5.649 0.118 13 HG1 THR 2 HG1 THR 2 -11.186 -6.177 -0.601 14 HG21 THR 2 1HG2 THR 2 -11.500 -4.174 1.129 15 HG22 THR 2 2HG2 THR 2 -13.122 -3.585 0.765 16 HG23 THR 2 3HG2 THR 2 -11.991 -3.918 -0.545 17 H PHE 3 H PHE 3 -12.138 -4.509 3.346 18 HA PHE 3 HA PHE 3 -14.899 -4.128 4.193 19 HB2 PHE 3 2HB PHE 3 -12.724 -5.209 5.922 20 HB3 PHE 3 3HB PHE 3 -13.853 -4.064 6.638 21 HD1 PHE 3 HD1 PHE 3 -13.243 -7.449 5.919 22 HD2 PHE 3 HD2 PHE 3 -16.382 -4.594 6.249 23 HE1 PHE 3 HE1 PHE 3 -14.859 -9.272 6.265 24 HE2 PHE 3 HE2 PHE 3 -18.004 -6.412 6.597 25 HZ PHE 3 HZ PHE 3 -17.243 -8.754 6.606 26 H LYS 4 H LYS 4 -14.999 -2.250 5.819 27 HA LYS 4 HA LYS 4 -12.856 -0.310 5.515 28 HB2 LYS 4 2HB LYS 4 -14.028 0.310 3.582 29 HB3 LYS 4 3HB LYS 4 -15.594 0.013 4.325 30 HG2 LYS 4 2HG LYS 4 -15.331 1.975 5.726 31 HG3 LYS 4 3HG LYS 4 -13.725 2.260 5.052 32 HD2 LYS 4 2HD LYS 4 -15.645 1.990 2.934 33 HD3 LYS 4 3HD LYS 4 -16.190 3.207 4.089 34 HE2 LYS 4 2HE LYS 4 -13.576 3.865 3.860 35 HE3 LYS 4 3HE LYS 4 -13.894 3.231 2.246 36 HZ1 LYS 4 1HZ LYS 4 -15.793 5.143 3.398 37 HZ2 LYS 4 2HZ LYS 4 -15.368 4.891 1.781 38 HZ3 LYS 4 3HZ LYS 4 -14.320 5.730 2.810 39 H ALA 5 H ALA 5 -12.503 0.110 7.605 40 HA ALA 5 HA ALA 5 -14.787 0.443 9.411 41 HB1 ALA 5 1HB ALA 5 -12.486 -0.932 9.773 42 HB2 ALA 5 2HB ALA 5 -12.072 0.610 10.525 43 HB3 ALA 5 3HB ALA 5 -13.478 -0.294 11.085 44 H ILE 6 H ILE 6 -15.433 2.387 10.066 45 HA ILE 6 HA ILE 6 -13.751 4.704 9.418 46 HB ILE 6 HB ILE 6 -16.712 4.451 9.918 47 HG12 ILE 6 2HG1 ILE 6 -16.629 5.680 7.620 48 HG13 ILE 6 3HG1 ILE 6 -14.965 5.106 7.563 49 HG21 ILE 6 1HG2 ILE 6 -16.171 6.446 11.035 50 HG22 ILE 6 2HG2 ILE 6 -14.998 6.914 9.806 51 HG23 ILE 6 3HG2 ILE 6 -16.721 6.950 9.436 52 HD11 ILE 6 1HD1 ILE 6 -16.761 3.699 6.427 53 HD12 ILE 6 2HD1 ILE 6 -15.620 2.873 7.488 54 HD13 ILE 6 3HD1 ILE 6 -17.249 3.236 8.056 55 H ILE 7 H ILE 7 -13.133 6.177 10.939 56 HA ILE 7 HA ILE 7 -13.888 5.609 13.730 57 HB ILE 7 HB ILE 7 -11.493 6.673 14.145 58 HG12 ILE 7 2HG1 ILE 7 -10.813 5.058 11.730 59 HG13 ILE 7 3HG1 ILE 7 -11.349 6.717 11.490 60 HG21 ILE 7 1HG2 ILE 7 -12.202 3.824 13.527 61 HG22 ILE 7 2HG2 ILE 7 -10.592 4.276 14.087 62 HG23 ILE 7 3HG2 ILE 7 -12.000 4.600 15.098 63 HD11 ILE 7 1HD1 ILE 7 -9.003 6.785 11.572 64 HD12 ILE 7 2HD1 ILE 7 -9.556 7.391 13.134 65 HD13 ILE 7 3HD1 ILE 7 -8.944 5.743 12.994 66 H ASN 8 H ASN 8 -14.182 7.357 15.091 67 HA ASN 8 HA ASN 8 -13.708 10.047 14.110 68 HB2 ASN 8 2HB ASN 8 -16.073 9.088 13.394 69 HB3 ASN 8 3HB ASN 8 -16.493 9.516 15.050 70 HD21 ASN 8 1HD2 ASN 8 -17.868 11.157 14.503 71 HD22 ASN 8 2HD2 ASN 8 -17.336 12.643 13.801 72 H GLY 9 H GLY 9 -13.707 11.621 15.741 73 HA2 GLY 9 2HA GLY 9 -14.066 10.602 18.487 74 HA3 GLY 9 3HA GLY 9 -12.617 11.487 18.037 75 H LYS 10 H LYS 10 -13.879 12.510 20.095 76 HA LYS 10 HA LYS 10 -16.043 14.186 19.779 77 HB2 LYS 10 2HB LYS 10 -13.598 14.329 21.507 78 HB3 LYS 10 3HB LYS 10 -14.759 15.649 21.525 79 HG2 LYS 10 2HG LYS 10 -16.474 14.270 22.353 80 HG3 LYS 10 3HG LYS 10 -15.569 12.797 21.994 81 HD2 LYS 10 2HD LYS 10 -15.222 12.974 24.258 82 HD3 LYS 10 3HD LYS 10 -13.818 13.848 23.643 83 HE2 LYS 10 2HE LYS 10 -16.349 15.327 24.215 84 HE3 LYS 10 3HE LYS 10 -15.286 14.876 25.546 85 HZ1 LYS 10 1HZ LYS 10 -13.476 15.955 24.078 86 HZ2 LYS 10 2HZ LYS 10 -14.514 16.950 24.969 87 HZ3 LYS 10 3HZ LYS 10 -14.775 16.723 23.314 88 H THR 11 H THR 11 -12.636 14.870 19.077 89 HA THR 11 HA THR 11 -13.501 17.035 17.304 90 HB THR 11 HB THR 11 -11.417 18.330 18.157 91 HG1 THR 11 HG1 THR 11 -11.206 16.277 19.705 92 HG21 THR 11 1HG2 THR 11 -13.949 18.807 18.488 93 HG22 THR 11 2HG2 THR 11 -12.779 19.643 19.509 94 HG23 THR 11 3HG2 THR 11 -13.665 18.254 20.138 95 H LEU 12 H LEU 12 -12.451 14.287 16.952 96 HA LEU 12 HA LEU 12 -10.118 14.984 15.298 97 HB2 LEU 12 2HB LEU 12 -9.154 13.809 17.076 98 HB3 LEU 12 3HB LEU 12 -10.488 12.660 17.155 99 HG LEU 12 HG LEU 12 -9.718 11.698 15.000 100 HD11 LEU 12 1HD1 LEU 12 -7.038 12.783 15.159 101 HD12 LEU 12 2HD1 LEU 12 -8.238 14.029 14.812 102 HD13 LEU 12 3HD1 LEU 12 -8.110 12.613 13.767 103 HD21 LEU 12 1HD2 LEU 12 -7.490 10.816 16.032 104 HD22 LEU 12 2HD2 LEU 12 -9.033 10.425 16.794 105 HD23 LEU 12 3HD2 LEU 12 -8.021 11.710 17.456 106 H LYS 13 H LYS 13 -9.920 13.890 13.337 107 HA LYS 13 HA LYS 13 -12.419 12.726 12.366 108 HB2 LYS 13 2HB LYS 13 -11.401 13.030 10.116 109 HB3 LYS 13 3HB LYS 13 -11.545 14.528 11.026 110 HG2 LYS 13 2HG LYS 13 -8.987 13.130 11.355 111 HG3 LYS 13 3HG LYS 13 -9.314 13.722 9.725 112 HD2 LYS 13 2HD LYS 13 -9.703 15.489 12.116 113 HD3 LYS 13 3HD LYS 13 -8.108 15.283 11.389 114 HE2 LYS 13 2HE LYS 13 -10.496 16.031 9.735 115 HE3 LYS 13 3HE LYS 13 -9.567 17.250 10.604 116 HZ1 LYS 13 1HZ LYS 13 -8.688 17.127 8.431 117 HZ2 LYS 13 2HZ LYS 13 -8.611 15.438 8.463 118 HZ3 LYS 13 3HZ LYS 13 -7.565 16.350 9.431 119 H GLY 14 H GLY 14 -12.112 10.948 10.657 120 HA2 GLY 14 2HA GLY 14 -9.864 9.228 10.812 121 HA3 GLY 14 3HA GLY 14 -11.135 8.650 11.880 122 H GLU 15 H GLU 15 -9.892 7.748 9.212 123 HA GLU 15 HA GLU 15 -12.166 6.471 8.189 124 HB2 GLU 15 2HB GLU 15 -12.218 7.649 5.941 125 HB3 GLU 15 3HB GLU 15 -12.927 8.522 7.292 126 HG2 GLU 15 2HG GLU 15 -10.830 9.807 7.515 127 HG3 GLU 15 3HG GLU 15 -10.210 8.983 6.086 128 H THR 16 H THR 16 -11.286 4.630 7.548 129 HA THR 16 HA THR 16 -9.212 4.580 5.557 130 HB THR 16 HB THR 16 -8.541 3.197 8.146 131 HG1 THR 16 HG1 THR 16 -7.126 4.991 8.526 132 HG21 THR 16 1HG2 THR 16 -7.185 3.716 5.542 133 HG22 THR 16 2HG2 THR 16 -7.208 2.255 6.531 134 HG23 THR 16 3HG2 THR 16 -6.200 3.624 7.001 135 H THR 17 H THR 17 -9.059 2.605 4.508 136 HA THR 17 HA THR 17 -11.132 0.653 5.251 137 HB THR 17 HB THR 17 -11.257 -0.017 2.966 138 HG1 THR 17 HG1 THR 17 -9.625 0.238 1.640 139 HG21 THR 17 1HG2 THR 17 -12.497 1.755 2.421 140 HG22 THR 17 2HG2 THR 17 -11.058 2.749 2.191 141 HG23 THR 17 3HG2 THR 17 -11.787 2.611 3.790 142 H THR 18 H THR 18 -10.667 -1.620 4.867 143 HA THR 18 HA THR 18 -8.050 -2.578 4.379 144 HB THR 18 HB THR 18 -7.614 -1.626 6.612 145 HG1 THR 18 HG1 THR 18 -6.679 -3.703 5.835 146 HG21 THR 18 1HG2 THR 18 -9.922 -1.899 7.493 147 HG22 THR 18 2HG2 THR 18 -8.683 -2.514 8.586 148 HG23 THR 18 3HG2 THR 18 -9.634 -3.633 7.611 149 H GLU 19 H GLU 19 -8.176 -4.657 3.782 150 HA GLU 19 HA GLU 19 -10.702 -5.983 3.806 151 HB2 GLU 19 2HB GLU 19 -9.283 -6.341 1.921 152 HB3 GLU 19 3HB GLU 19 -7.944 -6.845 2.942 153 HG2 GLU 19 2HG GLU 19 -8.765 -8.940 3.234 154 HG3 GLU 19 3HG GLU 19 -10.444 -8.424 3.093 155 H ALA 20 H ALA 20 -11.319 -7.851 4.889 156 HA ALA 20 HA ALA 20 -9.549 -8.891 6.969 157 HB1 ALA 20 1HB ALA 20 -11.963 -7.295 7.444 158 HB2 ALA 20 2HB ALA 20 -11.882 -8.802 8.357 159 HB3 ALA 20 3HB ALA 20 -10.586 -7.615 8.497 160 H VAL 21 H VAL 21 -9.844 -11.029 7.416 161 HA VAL 21 HA VAL 21 -11.370 -12.567 5.551 162 HB VAL 21 HB VAL 21 -9.888 -13.458 8.029 163 HG11 VAL 21 1HG1 VAL 21 -9.908 -15.684 6.864 164 HG12 VAL 21 2HG1 VAL 21 -11.475 -15.140 7.468 165 HG13 VAL 21 3HG1 VAL 21 -11.097 -15.011 5.750 166 HG21 VAL 21 1HG2 VAL 21 -7.988 -13.459 6.845 167 HG22 VAL 21 2HG2 VAL 21 -8.777 -14.111 5.408 168 HG23 VAL 21 3HG2 VAL 21 -8.838 -12.380 5.737 169 H ASP 22 H ASP 22 -11.616 -11.933 9.034 170 HA ASP 22 HA ASP 22 -14.460 -12.611 8.896 171 HB2 ASP 22 2HB ASP 22 -12.802 -14.495 9.827 172 HB3 ASP 22 3HB ASP 22 -13.003 -13.561 11.308 173 H ALA 23 H ALA 23 -15.328 -12.205 11.340 174 HA ALA 23 HA ALA 23 -15.137 -9.406 11.704 175 HB1 ALA 23 1HB ALA 23 -16.590 -11.630 12.961 176 HB2 ALA 23 2HB ALA 23 -16.288 -10.241 14.005 177 HB3 ALA 23 3HB ALA 23 -17.152 -10.028 12.482 178 H ALA 24 H ALA 24 -13.303 -12.041 12.921 179 HA ALA 24 HA ALA 24 -12.287 -10.591 15.217 180 HB1 ALA 24 1HB ALA 24 -11.804 -13.323 14.086 181 HB2 ALA 24 2HB ALA 24 -10.750 -12.655 15.333 182 HB3 ALA 24 3HB ALA 24 -12.472 -12.868 15.654 183 H THR 25 H THR 25 -11.271 -11.434 11.967 184 HA THR 25 HA THR 25 -8.565 -10.926 12.060 185 HB THR 25 HB THR 25 -10.485 -10.230 9.829 186 HG1 THR 25 HG1 THR 25 -10.170 -12.513 10.651 187 HG21 THR 25 1HG2 THR 25 -7.694 -9.677 10.113 188 HG22 THR 25 2HG2 THR 25 -8.754 -9.343 8.743 189 HG23 THR 25 3HG2 THR 25 -7.916 -10.890 8.853 190 H ALA 26 H ALA 26 -11.221 -8.609 11.773 191 HA ALA 26 HA ALA 26 -9.461 -6.344 11.544 192 HB1 ALA 26 1HB ALA 26 -11.485 -5.007 11.618 193 HB2 ALA 26 2HB ALA 26 -11.681 -6.355 10.498 194 HB3 ALA 26 3HB ALA 26 -12.425 -6.420 12.095 195 H GLU 27 H GLU 27 -10.951 -8.120 14.112 196 HA GLU 27 HA GLU 27 -10.723 -6.039 16.080 197 HB2 GLU 27 2HB GLU 27 -12.434 -7.619 16.485 198 HB3 GLU 27 3HB GLU 27 -11.353 -8.979 16.215 199 HG2 GLU 27 2HG GLU 27 -10.308 -8.712 18.286 200 HG3 GLU 27 3HG GLU 27 -10.932 -7.076 18.489 201 H LYS 28 H LYS 28 -8.791 -8.766 15.018 202 HA LYS 28 HA LYS 28 -6.894 -8.498 17.181 203 HB2 LYS 28 2HB LYS 28 -5.782 -10.365 16.252 204 HB3 LYS 28 3HB LYS 28 -7.498 -10.677 16.017 205 HG2 LYS 28 2HG LYS 28 -6.914 -11.153 13.917 206 HG3 LYS 28 3HG LYS 28 -6.853 -9.402 13.701 207 HD2 LYS 28 2HD LYS 28 -4.527 -9.338 13.908 208 HD3 LYS 28 3HD LYS 28 -4.461 -10.927 14.676 209 HE2 LYS 28 2HE LYS 28 -3.669 -11.254 12.484 210 HE3 LYS 28 3HE LYS 28 -5.323 -11.862 12.482 211 HZ1 LYS 28 1HZ LYS 28 -5.509 -10.580 10.670 212 HZ2 LYS 28 2HZ LYS 28 -4.182 -9.611 11.069 213 HZ3 LYS 28 3HZ LYS 28 -5.690 -9.309 11.772 214 H VAL 29 H VAL 29 -7.309 -7.276 13.976 215 HA VAL 29 HA VAL 29 -4.539 -6.478 13.680 216 HB VAL 29 HB VAL 29 -6.165 -7.145 11.778 217 HG11 VAL 29 1HG1 VAL 29 -6.799 -4.246 11.608 218 HG12 VAL 29 2HG1 VAL 29 -7.683 -5.638 10.977 219 HG13 VAL 29 3HG1 VAL 29 -7.760 -5.246 12.696 220 HG21 VAL 29 1HG2 VAL 29 -4.178 -4.923 11.800 221 HG22 VAL 29 2HG2 VAL 29 -4.076 -6.516 11.052 222 HG23 VAL 29 3HG2 VAL 29 -5.073 -5.260 10.317 223 H PHE 30 H PHE 30 -7.485 -5.156 14.891 224 HA PHE 30 HA PHE 30 -6.767 -2.401 14.631 225 HB2 PHE 30 2HB PHE 30 -9.006 -3.940 15.693 226 HB3 PHE 30 3HB PHE 30 -8.622 -2.537 16.686 227 HD1 PHE 30 HD1 PHE 30 -7.855 -0.493 14.858 228 HD2 PHE 30 HD2 PHE 30 -10.843 -3.490 14.399 229 HE1 PHE 30 HE1 PHE 30 -9.061 0.956 13.276 230 HE2 PHE 30 HE2 PHE 30 -12.052 -2.047 12.815 231 HZ PHE 30 HZ PHE 30 -11.161 0.179 12.251 232 H LYS 31 H LYS 31 -6.107 -4.906 16.915 233 HA LYS 31 HA LYS 31 -5.620 -3.520 19.252 234 HB2 LYS 31 2HB LYS 31 -4.253 -5.340 19.930 235 HB3 LYS 31 3HB LYS 31 -5.494 -6.018 18.884 236 HG2 LYS 31 2HG LYS 31 -3.707 -7.075 17.998 237 HG3 LYS 31 3HG LYS 31 -3.612 -5.590 17.049 238 HD2 LYS 31 2HD LYS 31 -1.821 -4.775 18.263 239 HD3 LYS 31 3HD LYS 31 -2.200 -5.759 19.679 240 HE2 LYS 31 2HE LYS 31 -1.467 -7.157 17.160 241 HE3 LYS 31 3HE LYS 31 -0.185 -6.342 18.055 242 HZ1 LYS 31 1HZ LYS 31 -0.264 -7.842 19.702 243 HZ2 LYS 31 2HZ LYS 31 -0.992 -8.838 18.544 244 HZ3 LYS 31 3HZ LYS 31 -1.949 -7.992 19.653 245 H GLN 32 H GLN 32 -3.743 -3.613 16.318 246 HA GLN 32 HA GLN 32 -1.443 -2.338 17.530 247 HB2 GLN 32 2HB GLN 32 -1.158 -3.981 15.713 248 HB3 GLN 32 3HB GLN 32 -2.043 -2.921 14.626 249 HG2 GLN 32 2HG GLN 32 0.194 -2.545 14.114 250 HG3 GLN 32 3HG GLN 32 -0.256 -1.180 15.134 251 HE21 GLN 32 1HE2 GLN 32 0.527 -1.078 17.252 252 HE22 GLN 32 2HE2 GLN 32 1.895 -2.002 17.760 253 H TYR 33 H TYR 33 -4.256 -1.446 15.671 254 HA TYR 33 HA TYR 33 -3.340 1.167 14.969 255 HB2 TYR 33 2HB TYR 33 -5.864 -0.363 14.733 256 HB3 TYR 33 3HB TYR 33 -6.024 1.389 14.775 257 HD1 TYR 33 HD1 TYR 33 -3.861 -1.169 13.104 258 HD2 TYR 33 HD2 TYR 33 -6.053 2.459 12.739 259 HE1 TYR 33 HE1 TYR 33 -3.280 -1.066 10.716 260 HE2 TYR 33 HE2 TYR 33 -5.480 2.571 10.349 261 HH TYR 33 HH TYR 33 -3.937 1.739 8.785 262 H PHE 34 H PHE 34 -5.514 -0.107 17.469 263 HA PHE 34 HA PHE 34 -6.294 2.293 18.625 264 HB2 PHE 34 2HB PHE 34 -5.994 -0.499 19.665 265 HB3 PHE 34 3HB PHE 34 -6.376 0.804 20.786 266 HD1 PHE 34 HD1 PHE 34 -7.765 -1.690 18.850 267 HD2 PHE 34 HD2 PHE 34 -8.326 2.412 19.841 268 HE1 PHE 34 HE1 PHE 34 -10.142 -1.872 18.242 269 HE2 PHE 34 HE2 PHE 34 -10.705 2.236 19.235 270 HZ PHE 34 HZ PHE 34 -11.615 0.092 18.435 271 H ASN 35 H ASN 35 -3.289 0.554 18.880 272 HA ASN 35 HA ASN 35 -2.326 1.988 21.169 273 HB2 ASN 35 2HB ASN 35 -1.424 -0.192 20.815 274 HB3 ASN 35 3HB ASN 35 -0.981 0.188 19.153 275 HD21 ASN 35 1HD2 ASN 35 1.120 0.344 18.939 276 HD22 ASN 35 2HD2 ASN 35 2.215 1.052 20.071 277 H ASP 36 H ASP 36 -2.340 2.484 17.745 278 HA ASP 36 HA ASP 36 -0.185 4.360 17.662 279 HB2 ASP 36 2HB ASP 36 -1.323 2.956 15.739 280 HB3 ASP 36 3HB ASP 36 -2.372 4.367 15.621 281 H ASN 37 H ASN 37 -3.649 4.561 18.145 282 HA ASN 37 HA ASN 37 -3.534 7.484 18.164 283 HB2 ASN 37 2HB ASN 37 -6.041 5.906 18.637 284 HB3 ASN 37 3HB ASN 37 -5.852 7.496 17.907 285 HD21 ASN 37 1HD2 ASN 37 -7.055 4.809 17.084 286 HD22 ASN 37 2HD2 ASN 37 -6.448 4.572 15.483 287 H GLY 38 H GLY 38 -3.626 4.784 20.284 288 HA2 GLY 38 2HA GLY 38 -3.524 4.655 22.576 289 HA3 GLY 38 3HA GLY 38 -3.218 6.386 22.583 290 H LEU 39 H LEU 39 -6.084 5.297 21.023 291 HA LEU 39 HA LEU 39 -7.666 6.397 23.242 292 HB2 LEU 39 2HB LEU 39 -8.306 6.050 20.319 293 HB3 LEU 39 3HB LEU 39 -9.470 6.595 21.525 294 HG LEU 39 HG LEU 39 -6.922 8.049 20.819 295 HD11 LEU 39 1HD1 LEU 39 -8.524 7.991 18.949 296 HD12 LEU 39 2HD1 LEU 39 -8.318 9.610 19.615 297 HD13 LEU 39 3HD1 LEU 39 -9.758 8.672 20.009 298 HD21 LEU 39 1HD2 LEU 39 -8.568 8.232 23.065 299 HD22 LEU 39 2HD2 LEU 39 -9.021 9.596 22.043 300 HD23 LEU 39 3HD2 LEU 39 -7.342 9.387 22.541 301 H ASP 40 H ASP 40 -9.492 5.318 24.012 302 HA ASP 40 HA ASP 40 -9.557 2.442 23.380 303 HB2 ASP 40 2HB ASP 40 -10.751 2.355 25.685 304 HB3 ASP 40 3HB ASP 40 -9.004 2.573 25.642 305 H GLY 41 H GLY 41 -11.161 2.013 22.006 306 HA2 GLY 41 2HA GLY 41 -13.857 2.901 22.713 307 HA3 GLY 41 3HA GLY 41 -13.258 3.343 21.121 308 H GLU 42 H GLU 42 -15.439 1.981 20.940 309 HA GLU 42 HA GLU 42 -14.658 -0.828 20.508 310 HB2 GLU 42 2HB GLU 42 -17.425 0.300 20.965 311 HB3 GLU 42 3HB GLU 42 -17.035 -1.395 20.715 312 HG2 GLU 42 2HG GLU 42 -15.420 -0.782 22.809 313 HG3 GLU 42 3HG GLU 42 -16.808 0.259 23.118 314 H TRP 43 H TRP 43 -15.643 -1.904 18.656 315 HA TRP 43 HA TRP 43 -16.339 -0.054 16.475 316 HB2 TRP 43 2HB TRP 43 -14.937 -1.207 14.936 317 HB3 TRP 43 3HB TRP 43 -13.952 -0.907 16.366 318 HD1 TRP 43 HD1 TRP 43 -13.737 -3.116 18.090 319 HE1 TRP 43 HE1 TRP 43 -13.476 -5.598 17.460 320 HE3 TRP 43 HE3 TRP 43 -15.458 -2.918 13.280 321 HZ2 TRP 43 HZ2 TRP 43 -13.938 -7.252 15.220 322 HZ3 TRP 43 HZ3 TRP 43 -15.515 -4.994 11.961 323 HH2 TRP 43 HH2 TRP 43 -14.769 -7.115 12.913 324 H THR 44 H THR 44 -18.025 -0.643 15.226 325 HA THR 44 HA THR 44 -19.476 -3.050 15.995 326 HB THR 44 HB THR 44 -20.441 -1.040 13.977 327 HG1 THR 44 HG1 THR 44 -20.299 -0.801 16.793 328 HG21 THR 44 1HG2 THR 44 -22.050 -2.641 14.015 329 HG22 THR 44 2HG2 THR 44 -22.579 -1.752 15.443 330 HG23 THR 44 3HG2 THR 44 -21.600 -3.207 15.623 331 H TYR 45 H TYR 45 -20.471 -4.405 14.316 332 HA TYR 45 HA TYR 45 -18.750 -4.627 11.933 333 HB2 TYR 45 2HB TYR 45 -19.354 -7.121 12.079 334 HB3 TYR 45 3HB TYR 45 -18.189 -6.498 13.241 335 HD1 TYR 45 HD1 TYR 45 -21.469 -7.978 12.783 336 HD2 TYR 45 HD2 TYR 45 -18.871 -6.119 15.593 337 HE1 TYR 45 HE1 TYR 45 -22.857 -8.835 14.624 338 HE2 TYR 45 HE2 TYR 45 -20.251 -6.972 17.442 339 HH TYR 45 HH TYR 45 -21.961 -8.282 18.011 340 H ASP 46 H ASP 46 -19.869 -4.028 10.204 341 HA ASP 46 HA ASP 46 -22.674 -4.908 9.979 342 HB2 ASP 46 2HB ASP 46 -21.663 -2.495 8.520 343 HB3 ASP 46 3HB ASP 46 -23.306 -2.889 9.019 344 H ASP 47 H ASP 47 -22.216 -6.778 8.841 345 HA ASP 47 HA ASP 47 -20.518 -6.786 6.535 346 HB2 ASP 47 2HB ASP 47 -21.507 -8.730 8.202 347 HB3 ASP 47 3HB ASP 47 -22.472 -8.967 6.747 348 H ALA 48 H ALA 48 -23.839 -6.098 7.131 349 HA ALA 48 HA ALA 48 -25.021 -6.714 4.691 350 HB1 ALA 48 1HB ALA 48 -26.275 -5.999 6.670 351 HB2 ALA 48 2HB ALA 48 -25.638 -4.364 6.479 352 HB3 ALA 48 3HB ALA 48 -26.702 -5.045 5.248 353 H THR 49 H THR 49 -22.876 -4.112 5.554 354 HA THR 49 HA THR 49 -22.986 -3.160 2.770 355 HB THR 49 HB THR 49 -22.892 -0.904 3.380 356 HG1 THR 49 HG1 THR 49 -22.511 -1.577 6.115 357 HG21 THR 49 1HG2 THR 49 -25.114 -1.842 3.785 358 HG22 THR 49 2HG2 THR 49 -24.764 -0.543 4.926 359 HG23 THR 49 3HG2 THR 49 -24.658 -2.224 5.445 360 H LYS 50 H LYS 50 -21.161 -4.606 5.073 361 HA LYS 50 HA LYS 50 -18.940 -5.034 5.321 362 HB2 LYS 50 2HB LYS 50 -18.713 -3.784 2.577 363 HB3 LYS 50 3HB LYS 50 -17.501 -4.793 3.356 364 HG2 LYS 50 2HG LYS 50 -20.247 -5.640 2.461 365 HG3 LYS 50 3HG LYS 50 -18.704 -6.090 1.732 366 HD2 LYS 50 2HD LYS 50 -18.225 -6.932 4.208 367 HD3 LYS 50 3HD LYS 50 -19.985 -7.055 4.231 368 HE2 LYS 50 2HE LYS 50 -18.998 -9.162 3.538 369 HE3 LYS 50 3HE LYS 50 -19.904 -8.442 2.209 370 HZ1 LYS 50 1HZ LYS 50 -18.015 -7.998 1.037 371 HZ2 LYS 50 2HZ LYS 50 -17.515 -9.398 1.844 372 HZ3 LYS 50 3HZ LYS 50 -17.033 -7.879 2.411 373 H THR 51 H THR 51 -19.735 -2.834 6.653 374 HA THR 51 HA THR 51 -17.333 -1.184 6.580 375 HB THR 51 HB THR 51 -20.122 -0.061 6.329 376 HG1 THR 51 HG1 THR 51 -19.064 1.052 4.564 377 HG21 THR 51 1HG2 THR 51 -19.346 1.429 7.879 378 HG22 THR 51 2HG2 THR 51 -18.644 2.149 6.430 379 HG23 THR 51 3HG2 THR 51 -17.655 1.133 7.478 380 H PHE 52 H PHE 52 -16.717 -0.417 8.560 381 HA PHE 52 HA PHE 52 -18.400 -1.234 10.834 382 HB2 PHE 52 2HB PHE 52 -15.417 -0.758 10.871 383 HB3 PHE 52 3HB PHE 52 -16.396 -1.501 12.131 384 HD1 PHE 52 HD1 PHE 52 -18.055 -3.343 10.518 385 HD2 PHE 52 HD2 PHE 52 -13.904 -2.423 10.297 386 HE1 PHE 52 HE1 PHE 52 -17.619 -5.560 9.546 387 HE2 PHE 52 HE2 PHE 52 -13.462 -4.640 9.324 388 HZ PHE 52 HZ PHE 52 -15.320 -6.212 8.947 389 H THR 53 H THR 53 -18.734 0.171 12.543 390 HA THR 53 HA THR 53 -18.011 2.979 12.011 391 HB THR 53 HB THR 53 -20.371 2.821 11.872 392 HG1 THR 53 HG1 THR 53 -20.195 4.580 13.070 393 HG21 THR 53 1HG2 THR 53 -20.661 0.617 12.879 394 HG22 THR 53 2HG2 THR 53 -21.757 1.785 13.618 395 HG23 THR 53 3HG2 THR 53 -20.298 1.285 14.471 396 H VAL 54 H VAL 54 -16.858 4.049 13.495 397 HA VAL 54 HA VAL 54 -16.700 2.966 16.223 398 HB VAL 54 HB VAL 54 -14.327 3.858 14.577 399 HG11 VAL 54 1HG1 VAL 54 -13.277 2.722 16.785 400 HG12 VAL 54 2HG1 VAL 54 -13.564 4.454 16.615 401 HG13 VAL 54 3HG1 VAL 54 -14.733 3.445 17.466 402 HG21 VAL 54 1HG2 VAL 54 -13.599 1.591 14.619 403 HG22 VAL 54 2HG2 VAL 54 -14.893 1.130 15.725 404 HG23 VAL 54 3HG2 VAL 54 -15.273 1.588 14.064 405 H THR 55 H THR 55 -16.409 4.470 17.849 406 HA THR 55 HA THR 55 -16.066 7.277 17.143 407 HB THR 55 HB THR 55 -18.032 7.970 18.484 408 HG1 THR 55 HG1 THR 55 -18.507 5.164 18.518 409 HG21 THR 55 1HG2 THR 55 -18.208 7.843 16.048 410 HG22 THR 55 2HG2 THR 55 -19.736 7.402 16.811 411 HG23 THR 55 3HG2 THR 55 -18.679 6.148 16.164 412 H GLU 56 H GLU 56 -15.150 8.493 18.747 413 HA GLU 56 HA GLU 56 -13.977 7.043 20.943 414 HB2 GLU 56 2HB GLU 56 -12.853 8.878 19.561 415 HB3 GLU 56 3HB GLU 56 -13.820 10.017 20.487 416 HG2 GLU 56 2HG GLU 56 -12.793 8.770 22.538 417 HG3 GLU 56 3HG GLU 56 -11.563 8.288 21.371 Start of MODEL 3 1 H1 MET 1 H MET 1 -10.595 -10.744 3.425 2 HA MET 1 HA MET 1 -12.538 -10.232 1.291 3 HB2 MET 1 2HB MET 1 -13.442 -11.462 3.448 4 HB3 MET 1 3HB MET 1 -13.411 -9.836 4.119 5 HG2 MET 1 2HG MET 1 -15.587 -10.158 3.304 6 HG3 MET 1 3HG MET 1 -14.780 -9.118 2.132 7 HE1 MET 1 1HE MET 1 -17.113 -12.305 2.253 8 HE2 MET 1 2HE MET 1 -15.961 -13.503 1.662 9 HE3 MET 1 3HE MET 1 -15.634 -12.627 3.157 10 H THR 2 H THR 2 -13.386 -8.032 1.311 11 HA THR 2 HA THR 2 -11.413 -6.151 2.417 12 HB THR 2 HB THR 2 -13.271 -5.849 0.052 13 HG1 THR 2 HG1 THR 2 -11.575 -6.437 -1.067 14 HG21 THR 2 1HG2 THR 2 -13.050 -3.714 1.197 15 HG22 THR 2 2HG2 THR 2 -12.139 -3.687 -0.312 16 HG23 THR 2 3HG2 THR 2 -11.296 -3.887 1.223 17 H PHE 3 H PHE 3 -12.028 -4.500 3.717 18 HA PHE 3 HA PHE 3 -14.854 -3.878 4.040 19 HB2 PHE 3 2HB PHE 3 -13.102 -4.986 6.226 20 HB3 PHE 3 3HB PHE 3 -14.518 -4.002 6.583 21 HD1 PHE 3 HD1 PHE 3 -13.304 -7.261 5.706 22 HD2 PHE 3 HD2 PHE 3 -16.772 -4.796 5.809 23 HE1 PHE 3 HE1 PHE 3 -14.727 -9.262 5.546 24 HE2 PHE 3 HE2 PHE 3 -18.200 -6.793 5.649 25 HZ PHE 3 HZ PHE 3 -17.178 -9.030 5.518 26 H LYS 4 H LYS 4 -15.232 -1.895 5.206 27 HA LYS 4 HA LYS 4 -12.859 -0.149 5.316 28 HB2 LYS 4 2HB LYS 4 -13.982 0.696 3.471 29 HB3 LYS 4 3HB LYS 4 -15.567 0.308 4.127 30 HG2 LYS 4 2HG LYS 4 -15.660 2.213 5.400 31 HG3 LYS 4 3HG LYS 4 -13.905 2.368 5.492 32 HD2 LYS 4 2HD LYS 4 -14.995 2.564 2.778 33 HD3 LYS 4 3HD LYS 4 -15.527 3.845 3.868 34 HE2 LYS 4 2HE LYS 4 -13.542 4.843 3.768 35 HE3 LYS 4 3HE LYS 4 -12.708 3.347 4.181 36 HZ1 LYS 4 1HZ LYS 4 -11.879 3.735 2.109 37 HZ2 LYS 4 2HZ LYS 4 -13.286 4.482 1.544 38 HZ3 LYS 4 3HZ LYS 4 -13.225 2.798 1.691 39 H ALA 5 H ALA 5 -12.452 0.140 7.418 40 HA ALA 5 HA ALA 5 -14.680 0.464 9.290 41 HB1 ALA 5 1HB ALA 5 -13.395 -0.707 10.665 42 HB2 ALA 5 2HB ALA 5 -12.104 -0.730 9.463 43 HB3 ALA 5 3HB ALA 5 -12.192 0.584 10.636 44 H ILE 6 H ILE 6 -15.329 2.427 9.848 45 HA ILE 6 HA ILE 6 -13.581 4.714 9.334 46 HB ILE 6 HB ILE 6 -16.535 4.519 9.901 47 HG12 ILE 6 2HG1 ILE 6 -16.485 5.794 7.627 48 HG13 ILE 6 3HG1 ILE 6 -14.838 5.180 7.511 49 HG21 ILE 6 1HG2 ILE 6 -16.497 7.023 9.481 50 HG22 ILE 6 2HG2 ILE 6 -15.896 6.473 11.045 51 HG23 ILE 6 3HG2 ILE 6 -14.760 6.941 9.779 52 HD11 ILE 6 1HD1 ILE 6 -17.015 3.259 8.126 53 HD12 ILE 6 2HD1 ILE 6 -16.870 3.878 6.481 54 HD13 ILE 6 3HD1 ILE 6 -15.517 3.026 7.226 55 H ILE 7 H ILE 7 -12.927 6.137 10.896 56 HA ILE 7 HA ILE 7 -13.579 5.425 13.681 57 HB ILE 7 HB ILE 7 -11.218 6.569 14.062 58 HG12 ILE 7 2HG1 ILE 7 -10.570 5.123 11.533 59 HG13 ILE 7 3HG1 ILE 7 -11.178 6.772 11.414 60 HG21 ILE 7 1HG2 ILE 7 -11.937 3.751 13.410 61 HG22 ILE 7 2HG2 ILE 7 -10.248 4.163 13.701 62 HG23 ILE 7 3HG2 ILE 7 -11.456 4.464 14.949 63 HD11 ILE 7 1HD1 ILE 7 -8.816 6.882 11.404 64 HD12 ILE 7 2HD1 ILE 7 -9.351 7.450 12.987 65 HD13 ILE 7 3HD1 ILE 7 -8.694 5.823 12.810 66 H ASN 8 H ASN 8 -13.936 7.081 15.125 67 HA ASN 8 HA ASN 8 -13.590 9.837 14.287 68 HB2 ASN 8 2HB ASN 8 -15.926 8.829 13.560 69 HB3 ASN 8 3HB ASN 8 -16.330 9.132 15.248 70 HD21 ASN 8 1HD2 ASN 8 -14.966 10.691 12.383 71 HD22 ASN 8 2HD2 ASN 8 -15.605 12.261 12.718 72 H GLY 9 H GLY 9 -13.686 11.335 16.007 73 HA2 GLY 9 2HA GLY 9 -13.921 10.152 18.696 74 HA3 GLY 9 3HA GLY 9 -12.515 11.115 18.271 75 H LYS 10 H LYS 10 -13.531 12.146 20.330 76 HA LYS 10 HA LYS 10 -15.838 13.648 20.313 77 HB2 LYS 10 2HB LYS 10 -13.234 13.841 21.724 78 HB3 LYS 10 3HB LYS 10 -14.260 15.269 21.763 79 HG2 LYS 10 2HG LYS 10 -16.091 13.490 22.451 80 HG3 LYS 10 3HG LYS 10 -14.666 12.601 22.994 81 HD2 LYS 10 2HD LYS 10 -15.125 15.474 23.747 82 HD3 LYS 10 3HD LYS 10 -15.819 14.146 24.680 83 HE2 LYS 10 2HE LYS 10 -13.367 13.242 24.659 84 HE3 LYS 10 3HE LYS 10 -12.956 14.920 24.309 85 HZ1 LYS 10 1HZ LYS 10 -14.649 14.128 26.609 86 HZ2 LYS 10 2HZ LYS 10 -13.914 15.625 26.329 87 HZ3 LYS 10 3HZ LYS 10 -12.967 14.278 26.718 88 H THR 11 H THR 11 -12.595 14.689 19.278 89 HA THR 11 HA THR 11 -13.857 16.634 17.489 90 HB THR 11 HB THR 11 -11.942 18.246 18.151 91 HG1 THR 11 HG1 THR 11 -11.854 16.311 20.170 92 HG21 THR 11 1HG2 THR 11 -14.485 18.362 18.665 93 HG22 THR 11 2HG2 THR 11 -13.379 19.402 19.564 94 HG23 THR 11 3HG2 THR 11 -14.000 17.927 20.304 95 H LEU 12 H LEU 12 -12.464 14.043 17.164 96 HA LEU 12 HA LEU 12 -10.210 14.959 15.499 97 HB2 LEU 12 2HB LEU 12 -9.889 13.355 17.559 98 HB3 LEU 12 3HB LEU 12 -10.441 12.132 16.415 99 HG LEU 12 HG LEU 12 -8.208 13.898 15.569 100 HD11 LEU 12 1HD1 LEU 12 -8.038 12.779 18.053 101 HD12 LEU 12 2HD1 LEU 12 -6.668 13.167 17.013 102 HD13 LEU 12 3HD1 LEU 12 -7.326 11.530 17.033 103 HD21 LEU 12 1HD2 LEU 12 -7.723 11.173 15.100 104 HD22 LEU 12 2HD2 LEU 12 -8.227 12.397 13.934 105 HD23 LEU 12 3HD2 LEU 12 -9.439 11.432 14.779 106 H LYS 13 H LYS 13 -9.861 13.834 13.501 107 HA LYS 13 HA LYS 13 -12.355 12.744 12.383 108 HB2 LYS 13 2HB LYS 13 -10.295 14.573 11.352 109 HB3 LYS 13 3HB LYS 13 -10.789 13.326 10.214 110 HG2 LYS 13 2HG LYS 13 -12.943 14.115 10.072 111 HG3 LYS 13 3HG LYS 13 -12.873 14.903 11.649 112 HD2 LYS 13 2HD LYS 13 -12.666 16.765 10.378 113 HD3 LYS 13 3HD LYS 13 -10.965 16.292 10.368 114 HE2 LYS 13 2HE LYS 13 -11.360 15.078 8.249 115 HE3 LYS 13 3HE LYS 13 -13.021 15.665 8.252 116 HZ1 LYS 13 1HZ LYS 13 -10.877 16.922 7.135 117 HZ2 LYS 13 2HZ LYS 13 -11.121 17.776 8.574 118 HZ3 LYS 13 3HZ LYS 13 -12.382 17.625 7.457 119 H GLY 14 H GLY 14 -12.354 10.825 11.262 120 HA2 GLY 14 2HA GLY 14 -9.815 9.431 10.861 121 HA3 GLY 14 3HA GLY 14 -10.987 8.672 11.929 122 H GLU 15 H GLU 15 -9.847 7.874 9.277 123 HA GLU 15 HA GLU 15 -12.134 6.666 8.204 124 HB2 GLU 15 2HB GLU 15 -12.152 7.905 5.989 125 HB3 GLU 15 3HB GLU 15 -12.859 8.750 7.358 126 HG2 GLU 15 2HG GLU 15 -9.996 9.245 6.842 127 HG3 GLU 15 3HG GLU 15 -11.138 9.881 5.658 128 H THR 16 H THR 16 -11.357 4.853 7.378 129 HA THR 16 HA THR 16 -9.306 4.787 5.411 130 HB THR 16 HB THR 16 -7.880 5.117 7.405 131 HG1 THR 16 HG1 THR 16 -6.732 3.976 6.000 132 HG21 THR 16 1HG2 THR 16 -8.323 2.403 8.430 133 HG22 THR 16 2HG2 THR 16 -9.664 3.515 8.708 134 HG23 THR 16 3HG2 THR 16 -8.051 3.913 9.299 135 H THR 17 H THR 17 -8.744 2.523 4.793 136 HA THR 17 HA THR 17 -11.064 0.773 5.258 137 HB THR 17 HB THR 17 -9.890 -0.370 3.124 138 HG1 THR 17 HG1 THR 17 -8.660 0.984 2.046 139 HG21 THR 17 1HG2 THR 17 -11.396 1.573 1.894 140 HG22 THR 17 2HG2 THR 17 -12.044 1.560 3.535 141 HG23 THR 17 3HG2 THR 17 -12.021 0.076 2.583 142 H THR 18 H THR 18 -10.535 -1.617 5.001 143 HA THR 18 HA THR 18 -7.927 -2.564 5.577 144 HB THR 18 HB THR 18 -8.322 -1.593 7.778 145 HG1 THR 18 HG1 THR 18 -8.681 -4.389 8.076 146 HG21 THR 18 1HG2 THR 18 -10.968 -2.369 7.360 147 HG22 THR 18 2HG2 THR 18 -10.295 -1.644 8.820 148 HG23 THR 18 3HG2 THR 18 -10.398 -3.397 8.674 149 H GLU 19 H GLU 19 -7.846 -4.595 4.868 150 HA GLU 19 HA GLU 19 -10.303 -5.985 4.246 151 HB2 GLU 19 2HB GLU 19 -7.397 -6.642 3.760 152 HB3 GLU 19 3HB GLU 19 -8.715 -7.708 3.295 153 HG2 GLU 19 2HG GLU 19 -8.513 -6.624 1.338 154 HG3 GLU 19 3HG GLU 19 -9.560 -5.452 2.138 155 H ALA 20 H ALA 20 -11.105 -7.773 5.222 156 HA ALA 20 HA ALA 20 -9.558 -8.955 7.427 157 HB1 ALA 20 1HB ALA 20 -11.768 -9.145 8.668 158 HB2 ALA 20 2HB ALA 20 -11.045 -7.538 8.571 159 HB3 ALA 20 3HB ALA 20 -12.393 -7.964 7.516 160 H VAL 21 H VAL 21 -10.397 -11.094 8.102 161 HA VAL 21 HA VAL 21 -11.660 -12.520 5.850 162 HB VAL 21 HB VAL 21 -9.284 -13.085 5.979 163 HG11 VAL 21 1HG1 VAL 21 -8.951 -12.615 8.363 164 HG12 VAL 21 2HG1 VAL 21 -9.891 -14.052 8.772 165 HG13 VAL 21 3HG1 VAL 21 -8.353 -14.214 7.922 166 HG21 VAL 21 1HG2 VAL 21 -11.350 -14.820 5.740 167 HG22 VAL 21 2HG2 VAL 21 -9.657 -15.254 5.504 168 HG23 VAL 21 3HG2 VAL 21 -10.440 -15.564 7.054 169 H ASP 22 H ASP 22 -11.273 -12.242 9.327 170 HA ASP 22 HA ASP 22 -13.740 -13.807 9.660 171 HB2 ASP 22 2HB ASP 22 -11.127 -14.118 11.093 172 HB3 ASP 22 3HB ASP 22 -12.629 -14.480 11.939 173 H ALA 23 H ALA 23 -14.628 -13.457 11.968 174 HA ALA 23 HA ALA 23 -15.223 -10.720 12.262 175 HB1 ALA 23 1HB ALA 23 -15.673 -13.047 14.122 176 HB2 ALA 23 2HB ALA 23 -16.322 -11.428 14.387 177 HB3 ALA 23 3HB ALA 23 -16.816 -12.355 12.971 178 H ALA 24 H ALA 24 -12.747 -12.736 13.628 179 HA ALA 24 HA ALA 24 -12.061 -10.824 15.700 180 HB1 ALA 24 1HB ALA 24 -10.084 -12.479 15.966 181 HB2 ALA 24 2HB ALA 24 -11.706 -12.988 16.438 182 HB3 ALA 24 3HB ALA 24 -11.030 -13.514 14.896 183 H THR 25 H THR 25 -11.135 -11.584 12.457 184 HA THR 25 HA THR 25 -8.531 -10.518 12.431 185 HB THR 25 HB THR 25 -10.485 -10.522 10.125 186 HG1 THR 25 HG1 THR 25 -9.840 -12.599 11.414 187 HG21 THR 25 1HG2 THR 25 -8.702 -10.202 8.722 188 HG22 THR 25 2HG2 THR 25 -7.550 -10.934 9.838 189 HG23 THR 25 3HG2 THR 25 -8.140 -9.297 10.126 190 H ALA 26 H ALA 26 -11.696 -9.029 11.934 191 HA ALA 26 HA ALA 26 -10.564 -6.446 11.323 192 HB1 ALA 26 1HB ALA 26 -13.357 -7.479 11.667 193 HB2 ALA 26 2HB ALA 26 -13.029 -5.750 11.546 194 HB3 ALA 26 3HB ALA 26 -12.582 -6.827 10.223 195 H GLU 27 H GLU 27 -11.530 -8.170 14.140 196 HA GLU 27 HA GLU 27 -11.898 -5.818 15.777 197 HB2 GLU 27 2HB GLU 27 -13.221 -7.698 16.384 198 HB3 GLU 27 3HB GLU 27 -11.828 -8.771 16.375 199 HG2 GLU 27 2HG GLU 27 -11.105 -8.086 18.426 200 HG3 GLU 27 3HG GLU 27 -11.821 -6.483 18.267 201 H LYS 28 H LYS 28 -9.416 -8.275 15.266 202 HA LYS 28 HA LYS 28 -7.687 -7.340 17.331 203 HB2 LYS 28 2HB LYS 28 -6.018 -8.822 16.321 204 HB3 LYS 28 3HB LYS 28 -7.565 -9.638 16.501 205 HG2 LYS 28 2HG LYS 28 -7.106 -10.289 14.391 206 HG3 LYS 28 3HG LYS 28 -7.859 -8.739 14.007 207 HD2 LYS 28 2HD LYS 28 -5.971 -8.002 13.093 208 HD3 LYS 28 3HD LYS 28 -5.076 -8.348 14.573 209 HE2 LYS 28 2HE LYS 28 -3.967 -9.806 13.266 210 HE3 LYS 28 3HE LYS 28 -5.360 -10.842 13.570 211 HZ1 LYS 28 1HZ LYS 28 -4.469 -10.192 11.134 212 HZ2 LYS 28 2HZ LYS 28 -5.659 -9.010 11.350 213 HZ3 LYS 28 3HZ LYS 28 -6.065 -10.648 11.466 214 H VAL 29 H VAL 29 -7.968 -6.736 13.870 215 HA VAL 29 HA VAL 29 -5.586 -5.364 13.435 216 HB VAL 29 HB VAL 29 -7.322 -6.071 11.708 217 HG11 VAL 29 1HG1 VAL 29 -9.012 -4.477 13.083 218 HG12 VAL 29 2HG1 VAL 29 -8.499 -3.373 11.805 219 HG13 VAL 29 3HG1 VAL 29 -9.236 -4.923 11.391 220 HG21 VAL 29 1HG2 VAL 29 -5.429 -3.941 11.728 221 HG22 VAL 29 2HG2 VAL 29 -5.911 -4.979 10.386 222 HG23 VAL 29 3HG2 VAL 29 -6.789 -3.482 10.702 223 H PHE 30 H PHE 30 -8.421 -4.404 15.150 224 HA PHE 30 HA PHE 30 -7.938 -1.580 15.007 225 HB2 PHE 30 2HB PHE 30 -9.852 -3.356 16.444 226 HB3 PHE 30 3HB PHE 30 -9.592 -1.737 17.087 227 HD1 PHE 30 HD1 PHE 30 -9.552 0.108 15.082 228 HD2 PHE 30 HD2 PHE 30 -11.668 -3.584 15.082 229 HE1 PHE 30 HE1 PHE 30 -11.132 1.019 13.431 230 HE2 PHE 30 HE2 PHE 30 -13.251 -2.681 13.430 231 HZ PHE 30 HZ PHE 30 -12.985 -0.376 12.601 232 H LYS 31 H LYS 31 -6.834 -4.185 16.970 233 HA LYS 31 HA LYS 31 -6.117 -2.707 19.284 234 HB2 LYS 31 2HB LYS 31 -4.746 -5.214 18.325 235 HB3 LYS 31 3HB LYS 31 -4.936 -4.648 19.979 236 HG2 LYS 31 2HG LYS 31 -7.330 -5.068 19.866 237 HG3 LYS 31 3HG LYS 31 -7.165 -5.600 18.191 238 HD2 LYS 31 2HD LYS 31 -6.007 -7.536 18.796 239 HD3 LYS 31 3HD LYS 31 -5.593 -6.901 20.390 240 HE2 LYS 31 2HE LYS 31 -7.745 -7.257 21.220 241 HE3 LYS 31 3HE LYS 31 -8.448 -7.374 19.608 242 HZ1 LYS 31 1HZ LYS 31 -7.037 -9.398 21.171 243 HZ2 LYS 31 2HZ LYS 31 -6.819 -9.426 19.495 244 HZ3 LYS 31 3HZ LYS 31 -8.374 -9.561 20.146 245 H GLN 32 H GLN 32 -4.070 -4.014 16.665 246 HA GLN 32 HA GLN 32 -1.763 -2.580 17.459 247 HB2 GLN 32 2HB GLN 32 -2.105 -4.666 15.854 248 HB3 GLN 32 3HB GLN 32 -2.124 -3.415 14.619 249 HG2 GLN 32 2HG GLN 32 0.063 -2.607 15.554 250 HG3 GLN 32 3HG GLN 32 0.088 -4.066 16.544 251 HE21 GLN 32 1HE2 GLN 32 2.164 -4.137 15.202 252 HE22 GLN 32 2HE2 GLN 32 2.075 -5.035 13.729 253 H TYR 33 H TYR 33 -4.570 -1.656 15.759 254 HA TYR 33 HA TYR 33 -3.324 0.531 14.329 255 HB2 TYR 33 2HB TYR 33 -6.057 -0.630 14.506 256 HB3 TYR 33 3HB TYR 33 -5.929 1.067 14.057 257 HD1 TYR 33 HD1 TYR 33 -3.639 -1.734 13.190 258 HD2 TYR 33 HD2 TYR 33 -6.507 1.082 11.792 259 HE1 TYR 33 HE1 TYR 33 -3.145 -2.390 10.871 260 HE2 TYR 33 HE2 TYR 33 -6.021 0.433 9.470 261 HH TYR 33 HH TYR 33 -4.684 -0.753 8.131 262 H PHE 34 H PHE 34 -5.653 0.187 16.999 263 HA PHE 34 HA PHE 34 -5.944 2.898 17.587 264 HB2 PHE 34 2HB PHE 34 -6.402 0.355 19.046 265 HB3 PHE 34 3HB PHE 34 -6.303 1.816 20.021 266 HD1 PHE 34 HD1 PHE 34 -8.562 -0.299 18.692 267 HD2 PHE 34 HD2 PHE 34 -7.637 3.855 18.643 268 HE1 PHE 34 HE1 PHE 34 -10.907 0.214 18.150 269 HE2 PHE 34 HE2 PHE 34 -9.980 4.375 18.102 270 HZ PHE 34 HZ PHE 34 -11.618 2.553 17.854 271 H ASN 35 H ASN 35 -3.354 0.711 18.260 272 HA ASN 35 HA ASN 35 -2.156 1.970 20.452 273 HB2 ASN 35 2HB ASN 35 -1.576 -0.282 19.333 274 HB3 ASN 35 3HB ASN 35 -0.571 0.673 18.246 275 HD21 ASN 35 1HD2 ASN 35 -1.226 0.780 21.732 276 HD22 ASN 35 2HD2 ASN 35 0.432 0.719 22.217 277 H ASP 36 H ASP 36 -2.402 2.941 17.171 278 HA ASP 36 HA ASP 36 -0.112 4.657 17.122 279 HB2 ASP 36 2HB ASP 36 -1.382 3.640 15.119 280 HB3 ASP 36 3HB ASP 36 -2.524 4.962 15.346 281 H ASN 37 H ASN 37 -3.584 5.136 17.651 282 HA ASN 37 HA ASN 37 -3.230 7.969 18.123 283 HB2 ASN 37 2HB ASN 37 -5.755 6.466 18.735 284 HB3 ASN 37 3HB ASN 37 -5.559 8.124 18.173 285 HD21 ASN 37 1HD2 ASN 37 -5.450 4.755 17.243 286 HD22 ASN 37 2HD2 ASN 37 -5.657 5.017 15.548 287 H GLY 38 H GLY 38 -3.238 5.065 19.955 288 HA2 GLY 38 2HA GLY 38 -2.709 4.754 22.183 289 HA3 GLY 38 3HA GLY 38 -2.598 6.499 22.359 290 H LEU 39 H LEU 39 -5.497 5.292 20.983 291 HA LEU 39 HA LEU 39 -6.875 5.686 23.558 292 HB2 LEU 39 2HB LEU 39 -7.519 6.582 20.796 293 HB3 LEU 39 3HB LEU 39 -8.852 6.177 21.875 294 HG LEU 39 HG LEU 39 -7.733 7.840 23.507 295 HD11 LEU 39 1HD1 LEU 39 -6.261 8.334 20.968 296 HD12 LEU 39 2HD1 LEU 39 -5.690 8.390 22.635 297 HD13 LEU 39 3HD1 LEU 39 -6.675 9.706 21.995 298 HD21 LEU 39 1HD2 LEU 39 -9.874 8.076 22.107 299 HD22 LEU 39 2HD2 LEU 39 -8.899 9.089 21.043 300 HD23 LEU 39 3HD2 LEU 39 -9.122 9.544 22.734 301 H ASP 40 H ASP 40 -9.161 4.656 23.462 302 HA ASP 40 HA ASP 40 -9.148 2.115 22.012 303 HB2 ASP 40 2HB ASP 40 -9.959 1.036 24.224 304 HB3 ASP 40 3HB ASP 40 -8.234 1.321 24.010 305 H GLY 41 H GLY 41 -11.243 1.067 21.950 306 HA2 GLY 41 2HA GLY 41 -13.582 2.231 23.022 307 HA3 GLY 41 3HA GLY 41 -13.343 2.820 21.384 308 H GLU 42 H GLU 42 -15.344 1.768 20.848 309 HA GLU 42 HA GLU 42 -15.058 -1.150 20.543 310 HB2 GLU 42 2HB GLU 42 -17.520 0.531 21.002 311 HB3 GLU 42 3HB GLU 42 -17.601 -1.131 20.432 312 HG2 GLU 42 2HG GLU 42 -15.919 -0.901 22.767 313 HG3 GLU 42 3HG GLU 42 -17.537 -0.265 23.065 314 H TRP 43 H TRP 43 -16.007 -2.089 18.626 315 HA TRP 43 HA TRP 43 -16.288 -0.195 16.390 316 HB2 TRP 43 2HB TRP 43 -14.930 -1.523 14.972 317 HB3 TRP 43 3HB TRP 43 -14.035 -1.380 16.483 318 HD1 TRP 43 HD1 TRP 43 -14.274 -3.608 18.173 319 HE1 TRP 43 HE1 TRP 43 -14.331 -6.097 17.521 320 HE3 TRP 43 HE3 TRP 43 -15.574 -3.128 13.252 321 HZ2 TRP 43 HZ2 TRP 43 -14.856 -7.652 15.224 322 HZ3 TRP 43 HZ3 TRP 43 -15.832 -5.166 11.897 323 HH2 TRP 43 HH2 TRP 43 -15.480 -7.379 12.864 324 H THR 44 H THR 44 -17.925 -0.588 14.999 325 HA THR 44 HA THR 44 -19.800 -2.684 15.711 326 HB THR 44 HB THR 44 -20.164 -0.757 13.432 327 HG1 THR 44 HG1 THR 44 -21.024 -0.166 16.056 328 HG21 THR 44 1HG2 THR 44 -22.007 -2.258 15.282 329 HG22 THR 44 2HG2 THR 44 -21.859 -2.416 13.532 330 HG23 THR 44 3HG2 THR 44 -22.556 -0.953 14.230 331 H TYR 45 H TYR 45 -20.797 -4.039 14.038 332 HA TYR 45 HA TYR 45 -18.924 -4.705 11.864 333 HB2 TYR 45 2HB TYR 45 -19.822 -7.114 12.243 334 HB3 TYR 45 3HB TYR 45 -18.585 -6.488 13.326 335 HD1 TYR 45 HD1 TYR 45 -22.020 -7.632 13.034 336 HD2 TYR 45 HD2 TYR 45 -19.192 -5.780 15.618 337 HE1 TYR 45 HE1 TYR 45 -23.475 -8.110 14.959 338 HE2 TYR 45 HE2 TYR 45 -20.638 -6.254 17.551 339 HH TYR 45 HH TYR 45 -23.042 -8.427 17.559 340 H ASP 46 H ASP 46 -20.016 -3.816 10.183 341 HA ASP 46 HA ASP 46 -22.786 -4.727 9.754 342 HB2 ASP 46 2HB ASP 46 -21.640 -2.308 8.397 343 HB3 ASP 46 3HB ASP 46 -23.324 -2.698 8.735 344 H ASP 47 H ASP 47 -22.259 -6.604 8.644 345 HA ASP 47 HA ASP 47 -20.446 -6.594 6.423 346 HB2 ASP 47 2HB ASP 47 -21.483 -8.550 8.047 347 HB3 ASP 47 3HB ASP 47 -22.380 -8.799 6.551 348 H ALA 48 H ALA 48 -23.821 -6.006 6.866 349 HA ALA 48 HA ALA 48 -24.859 -6.618 4.365 350 HB1 ALA 48 1HB ALA 48 -26.248 -5.974 6.262 351 HB2 ALA 48 2HB ALA 48 -25.626 -4.326 6.168 352 HB3 ALA 48 3HB ALA 48 -26.602 -4.976 4.851 353 H THR 49 H THR 49 -22.859 -3.947 5.372 354 HA THR 49 HA THR 49 -22.892 -2.939 2.602 355 HB THR 49 HB THR 49 -22.805 -0.704 3.289 356 HG1 THR 49 HG1 THR 49 -22.633 -0.345 5.726 357 HG21 THR 49 1HG2 THR 49 -25.033 -1.655 3.625 358 HG22 THR 49 2HG2 THR 49 -24.703 -0.394 4.812 359 HG23 THR 49 3HG2 THR 49 -24.606 -2.091 5.278 360 H LYS 50 H LYS 50 -21.093 -4.379 4.975 361 HA LYS 50 HA LYS 50 -18.877 -4.836 5.213 362 HB2 LYS 50 2HB LYS 50 -18.493 -3.468 2.548 363 HB3 LYS 50 3HB LYS 50 -17.434 -4.655 3.299 364 HG2 LYS 50 2HG LYS 50 -18.480 -6.124 1.987 365 HG3 LYS 50 3HG LYS 50 -19.787 -6.021 3.169 366 HD2 LYS 50 2HD LYS 50 -21.063 -4.634 1.830 367 HD3 LYS 50 3HD LYS 50 -19.665 -4.054 0.922 368 HE2 LYS 50 2HE LYS 50 -19.476 -6.180 -0.213 369 HE3 LYS 50 3HE LYS 50 -20.781 -6.852 0.764 370 HZ1 LYS 50 1HZ LYS 50 -22.319 -5.327 -0.240 371 HZ2 LYS 50 2HZ LYS 50 -21.507 -6.167 -1.463 372 HZ3 LYS 50 3HZ LYS 50 -21.082 -4.568 -1.109 373 H THR 51 H THR 51 -19.676 -2.706 6.620 374 HA THR 51 HA THR 51 -17.294 -1.023 6.606 375 HB THR 51 HB THR 51 -20.099 0.087 6.443 376 HG1 THR 51 HG1 THR 51 -19.049 1.269 4.685 377 HG21 THR 51 1HG2 THR 51 -19.291 1.566 7.975 378 HG22 THR 51 2HG2 THR 51 -18.579 2.288 6.532 379 HG23 THR 51 3HG2 THR 51 -17.607 1.238 7.564 380 H PHE 52 H PHE 52 -16.690 -0.313 8.613 381 HA PHE 52 HA PHE 52 -18.393 -1.177 10.857 382 HB2 PHE 52 2HB PHE 52 -15.388 -0.885 10.922 383 HB3 PHE 52 3HB PHE 52 -16.419 -1.639 12.134 384 HD1 PHE 52 HD1 PHE 52 -18.150 -3.340 10.512 385 HD2 PHE 52 HD2 PHE 52 -13.982 -2.555 10.163 386 HE1 PHE 52 HE1 PHE 52 -17.834 -5.524 9.424 387 HE2 PHE 52 HE2 PHE 52 -13.659 -4.736 9.073 388 HZ PHE 52 HZ PHE 52 -15.586 -6.223 8.701 389 H THR 53 H THR 53 -19.122 0.363 12.159 390 HA THR 53 HA THR 53 -18.059 3.070 11.882 391 HB THR 53 HB THR 53 -20.054 3.868 12.873 392 HG1 THR 53 HG1 THR 53 -21.560 2.353 13.840 393 HG21 THR 53 1HG2 THR 53 -20.749 1.460 11.185 394 HG22 THR 53 2HG2 THR 53 -20.390 3.084 10.596 395 HG23 THR 53 3HG2 THR 53 -21.841 2.793 11.554 396 H VAL 54 H VAL 54 -16.933 4.098 13.424 397 HA VAL 54 HA VAL 54 -16.831 2.928 16.119 398 HB VAL 54 HB VAL 54 -14.417 3.835 14.544 399 HG11 VAL 54 1HG1 VAL 54 -13.641 4.308 16.601 400 HG12 VAL 54 2HG1 VAL 54 -14.887 3.351 17.403 401 HG13 VAL 54 3HG1 VAL 54 -13.457 2.560 16.737 402 HG21 VAL 54 1HG2 VAL 54 -14.961 1.071 15.590 403 HG22 VAL 54 2HG2 VAL 54 -15.466 1.581 13.979 404 HG23 VAL 54 3HG2 VAL 54 -13.756 1.584 14.408 405 H THR 55 H THR 55 -16.507 4.378 17.796 406 HA THR 55 HA THR 55 -16.049 7.182 17.219 407 HB THR 55 HB THR 55 -18.503 6.619 18.830 408 HG1 THR 55 HG1 THR 55 -19.643 6.940 16.729 409 HG21 THR 55 1HG2 THR 55 -18.943 8.826 17.278 410 HG22 THR 55 2HG2 THR 55 -17.199 8.898 17.526 411 HG23 THR 55 3HG2 THR 55 -18.287 8.855 18.914 412 H GLU 56 H GLU 56 -14.332 7.340 18.562 413 HA GLU 56 HA GLU 56 -13.147 7.519 20.496 414 HB2 GLU 56 2HB GLU 56 -15.461 8.640 21.099 415 HB3 GLU 56 3HB GLU 56 -15.622 7.235 22.143 416 HG2 GLU 56 2HG GLU 56 -13.215 7.939 22.919 417 HG3 GLU 56 3HG GLU 56 -13.722 9.512 22.306 Start of MODEL 4 1 H1 MET 1 H MET 1 -10.217 -10.931 3.180 2 HA MET 1 HA MET 1 -12.066 -10.473 0.992 3 HB2 MET 1 2HB MET 1 -13.033 -11.747 3.232 4 HB3 MET 1 3HB MET 1 -13.394 -10.059 3.570 5 HG2 MET 1 2HG MET 1 -14.898 -9.892 1.873 6 HG3 MET 1 3HG MET 1 -14.086 -11.105 0.886 7 HE1 MET 1 1HE MET 1 -16.531 -11.911 0.252 8 HE2 MET 1 2HE MET 1 -15.367 -13.231 0.356 9 HE3 MET 1 3HE MET 1 -16.986 -13.427 1.030 10 H THR 2 H THR 2 -12.941 -8.301 0.986 11 HA THR 2 HA THR 2 -11.110 -6.420 2.284 12 HB THR 2 HB THR 2 -11.441 -6.325 -0.204 13 HG1 THR 2 HG1 THR 2 -12.195 -4.021 1.301 14 HG21 THR 2 1HG2 THR 2 -14.126 -5.130 0.471 15 HG22 THR 2 2HG2 THR 2 -13.914 -6.793 -0.080 16 HG23 THR 2 3HG2 THR 2 -13.457 -5.451 -1.127 17 H PHE 3 H PHE 3 -11.792 -4.763 3.590 18 HA PHE 3 HA PHE 3 -14.639 -4.401 4.075 19 HB2 PHE 3 2HB PHE 3 -12.704 -5.525 6.056 20 HB3 PHE 3 3HB PHE 3 -13.977 -4.453 6.633 21 HD1 PHE 3 HD1 PHE 3 -13.206 -7.718 5.211 22 HD2 PHE 3 HD2 PHE 3 -16.312 -5.111 6.505 23 HE1 PHE 3 HE1 PHE 3 -14.782 -9.608 5.226 24 HE2 PHE 3 HE2 PHE 3 -17.893 -6.996 6.523 25 HZ PHE 3 HZ PHE 3 -17.128 -9.249 5.883 26 H LYS 4 H LYS 4 -15.051 -2.530 5.538 27 HA LYS 4 HA LYS 4 -12.879 -0.545 5.390 28 HB2 LYS 4 2HB LYS 4 -14.284 0.249 3.731 29 HB3 LYS 4 3HB LYS 4 -15.736 -0.333 4.535 30 HG2 LYS 4 2HG LYS 4 -15.577 2.115 4.525 31 HG3 LYS 4 3HG LYS 4 -15.602 1.448 6.159 32 HD2 LYS 4 2HD LYS 4 -13.608 2.329 6.630 33 HD3 LYS 4 3HD LYS 4 -12.899 1.677 5.151 34 HE2 LYS 4 2HE LYS 4 -14.707 4.005 4.869 35 HE3 LYS 4 3HE LYS 4 -13.138 4.297 5.619 36 HZ1 LYS 4 1HZ LYS 4 -13.496 2.947 3.001 37 HZ2 LYS 4 2HZ LYS 4 -12.039 3.447 3.698 38 HZ3 LYS 4 3HZ LYS 4 -13.165 4.597 3.174 39 H ALA 5 H ALA 5 -12.379 0.359 7.274 40 HA ALA 5 HA ALA 5 -14.369 0.254 9.447 41 HB1 ALA 5 1HB ALA 5 -11.538 0.392 10.224 42 HB2 ALA 5 2HB ALA 5 -12.859 -0.559 10.902 43 HB3 ALA 5 3HB ALA 5 -12.035 -1.109 9.443 44 H ILE 6 H ILE 6 -15.077 2.206 9.975 45 HA ILE 6 HA ILE 6 -13.427 4.549 9.401 46 HB ILE 6 HB ILE 6 -16.338 4.245 10.115 47 HG12 ILE 6 2HG1 ILE 6 -16.418 5.585 7.866 48 HG13 ILE 6 3HG1 ILE 6 -14.779 4.980 7.660 49 HG21 ILE 6 1HG2 ILE 6 -14.669 6.740 9.934 50 HG22 ILE 6 2HG2 ILE 6 -16.423 6.749 9.764 51 HG23 ILE 6 3HG2 ILE 6 -15.688 6.201 11.270 52 HD11 ILE 6 1HD1 ILE 6 -15.534 2.723 7.698 53 HD12 ILE 6 2HD1 ILE 6 -17.161 3.219 8.165 54 HD13 ILE 6 3HD1 ILE 6 -16.544 3.617 6.562 55 H ILE 7 H ILE 7 -12.742 5.990 10.935 56 HA ILE 7 HA ILE 7 -13.212 5.238 13.747 57 HB ILE 7 HB ILE 7 -10.859 6.508 13.946 58 HG12 ILE 7 2HG1 ILE 7 -10.414 4.919 11.444 59 HG13 ILE 7 3HG1 ILE 7 -10.947 6.592 11.325 60 HG21 ILE 7 1HG2 ILE 7 -9.912 4.435 14.405 61 HG22 ILE 7 2HG2 ILE 7 -11.635 4.157 14.648 62 HG23 ILE 7 3HG2 ILE 7 -10.857 3.618 13.160 63 HD11 ILE 7 1HD1 ILE 7 -8.864 6.743 13.100 64 HD12 ILE 7 2HD1 ILE 7 -8.332 5.505 11.961 65 HD13 ILE 7 3HD1 ILE 7 -8.788 7.105 11.376 66 H ASN 8 H ASN 8 -13.696 6.840 15.171 67 HA ASN 8 HA ASN 8 -13.385 9.625 14.415 68 HB2 ASN 8 2HB ASN 8 -16.111 8.436 14.982 69 HB3 ASN 8 3HB ASN 8 -15.767 10.154 14.805 70 HD21 ASN 8 1HD2 ASN 8 -16.997 7.591 13.260 71 HD22 ASN 8 2HD2 ASN 8 -16.679 8.033 11.619 72 H GLY 9 H GLY 9 -13.353 11.025 16.160 73 HA2 GLY 9 2HA GLY 9 -13.684 9.774 18.817 74 HA3 GLY 9 3HA GLY 9 -12.300 10.789 18.440 75 H LYS 10 H LYS 10 -13.035 12.005 20.335 76 HA LYS 10 HA LYS 10 -15.504 13.387 20.353 77 HB2 LYS 10 2HB LYS 10 -14.453 14.776 22.123 78 HB3 LYS 10 3HB LYS 10 -14.285 13.049 22.412 79 HG2 LYS 10 2HG LYS 10 -11.987 13.192 21.446 80 HG3 LYS 10 3HG LYS 10 -12.179 14.946 21.405 81 HD2 LYS 10 2HD LYS 10 -11.032 14.482 23.412 82 HD3 LYS 10 3HD LYS 10 -12.703 14.798 23.885 83 HE2 LYS 10 2HE LYS 10 -13.144 12.510 24.230 84 HE3 LYS 10 3HE LYS 10 -11.683 12.018 23.374 85 HZ1 LYS 10 1HZ LYS 10 -11.378 11.782 25.735 86 HZ2 LYS 10 2HZ LYS 10 -11.799 13.398 26.001 87 HZ3 LYS 10 3HZ LYS 10 -10.374 13.021 25.169 88 H THR 11 H THR 11 -12.234 14.332 19.361 89 HA THR 11 HA THR 11 -13.410 16.447 17.713 90 HB THR 11 HB THR 11 -11.375 17.895 18.410 91 HG1 THR 11 HG1 THR 11 -10.859 15.843 19.887 92 HG21 THR 11 1HG2 THR 11 -13.843 18.256 18.936 93 HG22 THR 11 2HG2 THR 11 -12.681 19.027 20.015 94 HG23 THR 11 3HG2 THR 11 -13.498 17.546 20.513 95 H LEU 12 H LEU 12 -12.187 13.795 17.218 96 HA LEU 12 HA LEU 12 -10.094 14.696 15.360 97 HB2 LEU 12 2HB LEU 12 -9.153 12.289 15.803 98 HB3 LEU 12 3HB LEU 12 -8.725 13.642 16.847 99 HG LEU 12 HG LEU 12 -11.085 12.198 17.767 100 HD11 LEU 12 1HD1 LEU 12 -10.003 10.274 16.821 101 HD12 LEU 12 2HD1 LEU 12 -9.797 10.238 18.571 102 HD13 LEU 12 3HD1 LEU 12 -8.459 10.736 17.536 103 HD21 LEU 12 1HD2 LEU 12 -10.110 12.510 19.861 104 HD22 LEU 12 2HD2 LEU 12 -9.590 13.925 18.946 105 HD23 LEU 12 3HD2 LEU 12 -8.478 12.579 19.198 106 H LYS 13 H LYS 13 -10.230 13.902 13.332 107 HA LYS 13 HA LYS 13 -12.575 12.311 12.682 108 HB2 LYS 13 2HB LYS 13 -10.664 14.013 11.150 109 HB3 LYS 13 3HB LYS 13 -11.534 12.755 10.283 110 HG2 LYS 13 2HG LYS 13 -12.933 14.544 9.997 111 HG3 LYS 13 3HG LYS 13 -13.626 13.802 11.442 112 HD2 LYS 13 2HD LYS 13 -12.436 15.385 12.850 113 HD3 LYS 13 3HD LYS 13 -11.662 16.096 11.432 114 HE2 LYS 13 2HE LYS 13 -13.695 16.987 10.645 115 HE3 LYS 13 3HE LYS 13 -14.650 15.985 11.736 116 HZ1 LYS 13 1HZ LYS 13 -12.823 18.160 12.604 117 HZ2 LYS 13 2HZ LYS 13 -13.842 17.248 13.598 118 HZ3 LYS 13 3HZ LYS 13 -14.501 18.311 12.460 119 H GLY 14 H GLY 14 -12.202 10.694 10.785 120 HA2 GLY 14 2HA GLY 14 -9.727 9.320 10.624 121 HA3 GLY 14 3HA GLY 14 -10.792 8.505 11.761 122 H GLU 15 H GLU 15 -9.715 7.743 9.065 123 HA GLU 15 HA GLU 15 -12.006 6.395 8.121 124 HB2 GLU 15 2HB GLU 15 -12.034 7.539 5.834 125 HB3 GLU 15 3HB GLU 15 -12.798 8.392 7.168 126 HG2 GLU 15 2HG GLU 15 -10.955 9.879 7.381 127 HG3 GLU 15 3HG GLU 15 -9.983 8.925 6.262 128 H THR 16 H THR 16 -11.214 4.560 7.361 129 HA THR 16 HA THR 16 -9.148 4.458 5.396 130 HB THR 16 HB THR 16 -7.843 2.812 7.109 131 HG1 THR 16 HG1 THR 16 -8.768 3.312 9.004 132 HG21 THR 16 1HG2 THR 16 -6.131 4.195 6.670 133 HG22 THR 16 2HG2 THR 16 -6.946 5.576 7.406 134 HG23 THR 16 3HG2 THR 16 -7.299 5.130 5.737 135 H THR 17 H THR 17 -8.697 2.257 4.684 136 HA THR 17 HA THR 17 -10.964 0.471 5.259 137 HB THR 17 HB THR 17 -9.843 -0.591 3.019 138 HG1 THR 17 HG1 THR 17 -9.460 1.309 1.661 139 HG21 THR 17 1HG2 THR 17 -11.696 1.642 2.488 140 HG22 THR 17 2HG2 THR 17 -12.232 0.477 3.697 141 HG23 THR 17 3HG2 THR 17 -11.827 -0.066 2.069 142 H THR 18 H THR 18 -10.562 -1.836 5.283 143 HA THR 18 HA THR 18 -7.867 -2.806 5.552 144 HB THR 18 HB THR 18 -8.122 -1.854 7.774 145 HG1 THR 18 HG1 THR 18 -8.477 -4.667 8.001 146 HG21 THR 18 1HG2 THR 18 -10.502 -3.672 8.142 147 HG22 THR 18 2HG2 THR 18 -10.628 -1.949 7.792 148 HG23 THR 18 3HG2 THR 18 -9.867 -2.491 9.287 149 H GLU 19 H GLU 19 -7.824 -4.830 4.822 150 HA GLU 19 HA GLU 19 -10.248 -6.205 4.187 151 HB2 GLU 19 2HB GLU 19 -7.328 -6.864 3.916 152 HB3 GLU 19 3HB GLU 19 -8.560 -8.073 3.580 153 HG2 GLU 19 2HG GLU 19 -9.264 -7.039 1.684 154 HG3 GLU 19 3HG GLU 19 -8.839 -5.431 2.270 155 H ALA 20 H ALA 20 -11.159 -7.979 5.130 156 HA ALA 20 HA ALA 20 -9.852 -9.154 7.472 157 HB1 ALA 20 1HB ALA 20 -11.192 -7.538 8.532 158 HB2 ALA 20 2HB ALA 20 -12.561 -7.852 7.463 159 HB3 ALA 20 3HB ALA 20 -12.090 -9.050 8.669 160 H VAL 21 H VAL 21 -10.744 -11.214 8.106 161 HA VAL 21 HA VAL 21 -12.226 -12.539 5.929 162 HB VAL 21 HB VAL 21 -9.884 -13.289 6.037 163 HG11 VAL 21 1HG1 VAL 21 -9.114 -14.594 7.976 164 HG12 VAL 21 2HG1 VAL 21 -9.450 -12.912 8.393 165 HG13 VAL 21 3HG1 VAL 21 -10.599 -14.177 8.830 166 HG21 VAL 21 1HG2 VAL 21 -10.347 -15.547 5.772 167 HG22 VAL 21 2HG2 VAL 21 -11.546 -15.557 7.066 168 HG23 VAL 21 3HG2 VAL 21 -11.925 -14.801 5.517 169 H ASP 22 H ASP 22 -11.787 -12.160 9.374 170 HA ASP 22 HA ASP 22 -14.355 -13.521 9.797 171 HB2 ASP 22 2HB ASP 22 -11.753 -14.050 11.197 172 HB3 ASP 22 3HB ASP 22 -13.277 -14.294 12.045 173 H ALA 23 H ALA 23 -15.101 -13.079 12.161 174 HA ALA 23 HA ALA 23 -15.458 -10.295 12.422 175 HB1 ALA 23 1HB ALA 23 -16.579 -10.836 14.542 176 HB2 ALA 23 2HB ALA 23 -17.120 -11.869 13.219 177 HB3 ALA 23 3HB ALA 23 -15.987 -12.493 14.418 178 H ALA 24 H ALA 24 -13.088 -12.481 13.700 179 HA ALA 24 HA ALA 24 -12.161 -10.611 15.716 180 HB1 ALA 24 1HB ALA 24 -10.327 -12.394 15.962 181 HB2 ALA 24 2HB ALA 24 -11.973 -12.821 16.430 182 HB3 ALA 24 3HB ALA 24 -11.326 -13.367 14.882 183 H THR 25 H THR 25 -11.434 -11.489 12.448 184 HA THR 25 HA THR 25 -8.767 -10.620 12.289 185 HB THR 25 HB THR 25 -10.768 -10.417 10.040 186 HG1 THR 25 HG1 THR 25 -9.329 -12.702 10.959 187 HG21 THR 25 1HG2 THR 25 -7.905 -11.263 9.811 188 HG22 THR 25 2HG2 THR 25 -8.314 -9.550 9.922 189 HG23 THR 25 3HG2 THR 25 -8.954 -10.527 8.600 190 H ALA 26 H ALA 26 -11.826 -8.894 11.908 191 HA ALA 26 HA ALA 26 -10.526 -6.412 11.217 192 HB1 ALA 26 1HB ALA 26 -13.369 -7.232 11.686 193 HB2 ALA 26 2HB ALA 26 -12.924 -5.530 11.556 194 HB3 ALA 26 3HB ALA 26 -12.611 -6.628 10.212 195 H GLU 27 H GLU 27 -11.501 -8.028 14.097 196 HA GLU 27 HA GLU 27 -11.610 -5.641 15.719 197 HB2 GLU 27 2HB GLU 27 -13.043 -7.410 16.408 198 HB3 GLU 27 3HB GLU 27 -11.736 -8.585 16.352 199 HG2 GLU 27 2HG GLU 27 -10.891 -7.956 18.366 200 HG3 GLU 27 3HG GLU 27 -11.447 -6.292 18.206 201 H LYS 28 H LYS 28 -9.339 -8.264 15.098 202 HA LYS 28 HA LYS 28 -7.451 -7.424 17.076 203 HB2 LYS 28 2HB LYS 28 -5.958 -9.073 16.053 204 HB3 LYS 28 3HB LYS 28 -7.557 -9.752 16.330 205 HG2 LYS 28 2HG LYS 28 -7.261 -10.509 14.229 206 HG3 LYS 28 3HG LYS 28 -7.887 -8.910 13.816 207 HD2 LYS 28 2HD LYS 28 -5.990 -8.418 12.767 208 HD3 LYS 28 3HD LYS 28 -5.072 -8.715 14.245 209 HE2 LYS 28 2HE LYS 28 -5.872 -10.765 12.181 210 HE3 LYS 28 3HE LYS 28 -4.252 -10.119 12.442 211 HZ1 LYS 28 1HZ LYS 28 -4.569 -11.017 14.812 212 HZ2 LYS 28 2HZ LYS 28 -4.216 -12.115 13.575 213 HZ3 LYS 28 3HZ LYS 28 -5.804 -11.961 14.142 214 H VAL 29 H VAL 29 -7.835 -6.936 13.604 215 HA VAL 29 HA VAL 29 -5.379 -5.778 13.011 216 HB VAL 29 HB VAL 29 -7.261 -6.396 11.400 217 HG11 VAL 29 1HG1 VAL 29 -8.741 -4.623 12.770 218 HG12 VAL 29 2HG1 VAL 29 -8.167 -3.587 11.462 219 HG13 VAL 29 3HG1 VAL 29 -9.061 -5.063 11.093 220 HG21 VAL 29 1HG2 VAL 29 -6.191 -3.696 10.729 221 HG22 VAL 29 2HG2 VAL 29 -5.061 -5.023 10.999 222 HG23 VAL 29 3HG2 VAL 29 -6.284 -5.148 9.734 223 H PHE 30 H PHE 30 -8.026 -4.531 14.832 224 HA PHE 30 HA PHE 30 -7.418 -1.761 14.534 225 HB2 PHE 30 2HB PHE 30 -9.223 -3.395 16.234 226 HB3 PHE 30 3HB PHE 30 -8.779 -1.808 16.852 227 HD1 PHE 30 HD1 PHE 30 -8.895 0.085 14.919 228 HD2 PHE 30 HD2 PHE 30 -11.181 -3.502 15.063 229 HE1 PHE 30 HE1 PHE 30 -10.607 1.123 13.488 230 HE2 PHE 30 HE2 PHE 30 -12.895 -2.471 13.631 231 HZ PHE 30 HZ PHE 30 -12.609 -0.157 12.841 232 H LYS 31 H LYS 31 -6.152 -4.316 16.459 233 HA LYS 31 HA LYS 31 -5.194 -3.063 18.710 234 HB2 LYS 31 2HB LYS 31 -3.598 -4.804 18.892 235 HB3 LYS 31 3HB LYS 31 -4.990 -5.511 18.081 236 HG2 LYS 31 2HG LYS 31 -3.360 -6.331 16.744 237 HG3 LYS 31 3HG LYS 31 -3.618 -4.788 15.927 238 HD2 LYS 31 2HD LYS 31 -1.389 -4.568 16.157 239 HD3 LYS 31 3HD LYS 31 -1.796 -4.073 17.802 240 HE2 LYS 31 2HE LYS 31 -1.475 -6.362 18.579 241 HE3 LYS 31 3HE LYS 31 -1.107 -6.880 16.935 242 HZ1 LYS 31 1HZ LYS 31 0.687 -5.995 18.806 243 HZ2 LYS 31 2HZ LYS 31 0.530 -4.692 17.740 244 HZ3 LYS 31 3HZ LYS 31 0.984 -6.212 17.155 245 H GLN 32 H GLN 32 -4.001 -2.861 15.426 246 HA GLN 32 HA GLN 32 -1.636 -1.379 16.228 247 HB2 GLN 32 2HB GLN 32 -1.322 -2.881 14.400 248 HB3 GLN 32 3HB GLN 32 -2.717 -2.237 13.546 249 HG2 GLN 32 2HG GLN 32 -1.575 -0.161 13.142 250 HG3 GLN 32 3HG GLN 32 -0.207 -0.682 14.125 251 HE21 GLN 32 1HE2 GLN 32 1.186 -2.273 13.324 252 HE22 GLN 32 2HE2 GLN 32 1.257 -2.655 11.641 253 H TYR 33 H TYR 33 -4.800 -0.790 14.857 254 HA TYR 33 HA TYR 33 -4.333 1.876 14.016 255 HB2 TYR 33 2HB TYR 33 -6.760 0.203 14.515 256 HB3 TYR 33 3HB TYR 33 -6.953 1.942 14.325 257 HD1 TYR 33 HD1 TYR 33 -6.985 -1.088 12.622 258 HD2 TYR 33 HD2 TYR 33 -5.599 2.914 12.213 259 HE1 TYR 33 HE1 TYR 33 -6.943 -1.358 10.178 260 HE2 TYR 33 HE2 TYR 33 -5.554 2.655 9.767 261 HH TYR 33 HH TYR 33 -5.644 1.149 8.075 262 H PHE 34 H PHE 34 -5.965 0.564 16.900 263 HA PHE 34 HA PHE 34 -6.515 2.963 18.174 264 HB2 PHE 34 2HB PHE 34 -6.082 0.163 19.115 265 HB3 PHE 34 3HB PHE 34 -6.168 1.447 20.316 266 HD1 PHE 34 HD1 PHE 34 -8.034 -1.000 18.908 267 HD2 PHE 34 HD2 PHE 34 -8.205 3.195 19.602 268 HE1 PHE 34 HE1 PHE 34 -10.492 -1.089 18.814 269 HE2 PHE 34 HE2 PHE 34 -10.663 3.113 19.512 270 HZ PHE 34 HZ PHE 34 -11.809 0.970 19.118 271 H ASN 35 H ASN 35 -3.526 1.153 17.994 272 HA ASN 35 HA ASN 35 -2.120 2.401 20.073 273 HB2 ASN 35 2HB ASN 35 -1.371 0.349 18.881 274 HB3 ASN 35 3HB ASN 35 -0.989 1.339 17.475 275 HD21 ASN 35 1HD2 ASN 35 -0.255 0.912 20.899 276 HD22 ASN 35 2HD2 ASN 35 1.374 1.478 20.804 277 H ASP 36 H ASP 36 -3.061 3.542 16.970 278 HA ASP 36 HA ASP 36 -1.130 5.415 16.350 279 HB2 ASP 36 2HB ASP 36 -3.205 4.788 15.013 280 HB3 ASP 36 3HB ASP 36 -4.086 5.927 16.028 281 H ASN 37 H ASN 37 -3.954 5.808 18.472 282 HA ASN 37 HA ASN 37 -2.800 8.338 19.433 283 HB2 ASN 37 2HB ASN 37 -5.101 8.452 18.499 284 HB3 ASN 37 3HB ASN 37 -5.636 7.324 19.741 285 HD21 ASN 37 1HD2 ASN 37 -5.219 10.535 18.931 286 HD22 ASN 37 2HD2 ASN 37 -5.428 11.231 20.500 287 H GLY 38 H GLY 38 -3.555 5.104 20.309 288 HA2 GLY 38 2HA GLY 38 -2.758 3.993 22.208 289 HA3 GLY 38 3HA GLY 38 -2.420 5.551 22.949 290 H LEU 39 H LEU 39 -5.530 5.014 21.534 291 HA LEU 39 HA LEU 39 -6.680 4.770 24.237 292 HB2 LEU 39 2HB LEU 39 -7.611 6.282 21.819 293 HB3 LEU 39 3HB LEU 39 -8.722 5.845 23.116 294 HG LEU 39 HG LEU 39 -6.225 7.408 23.683 295 HD11 LEU 39 1HD1 LEU 39 -7.204 9.428 23.169 296 HD12 LEU 39 2HD1 LEU 39 -8.838 8.767 23.196 297 HD13 LEU 39 3HD1 LEU 39 -7.768 8.413 21.841 298 HD21 LEU 39 1HD2 LEU 39 -8.903 7.115 25.035 299 HD22 LEU 39 2HD2 LEU 39 -7.647 8.245 25.543 300 HD23 LEU 39 3HD2 LEU 39 -7.348 6.506 25.602 301 H ASP 40 H ASP 40 -9.035 3.920 24.088 302 HA ASP 40 HA ASP 40 -9.266 1.813 22.062 303 HB2 ASP 40 2HB ASP 40 -9.404 1.425 25.054 304 HB3 ASP 40 3HB ASP 40 -10.048 0.254 23.905 305 H GLY 41 H GLY 41 -11.398 1.095 21.657 306 HA2 GLY 41 2HA GLY 41 -13.605 2.321 23.075 307 HA3 GLY 41 3HA GLY 41 -13.378 2.908 21.435 308 H GLU 42 H GLU 42 -15.450 2.078 20.887 309 HA GLU 42 HA GLU 42 -15.512 -0.856 20.620 310 HB2 GLU 42 2HB GLU 42 -17.786 1.098 20.982 311 HB3 GLU 42 3HB GLU 42 -18.014 -0.589 20.542 312 HG2 GLU 42 2HG GLU 42 -16.335 -0.511 22.820 313 HG3 GLU 42 3HG GLU 42 -17.709 0.552 23.119 314 H TRP 43 H TRP 43 -16.234 -1.745 18.679 315 HA TRP 43 HA TRP 43 -16.557 0.140 16.441 316 HB2 TRP 43 2HB TRP 43 -15.117 -1.129 15.045 317 HB3 TRP 43 3HB TRP 43 -14.255 -0.931 16.567 318 HD1 TRP 43 HD1 TRP 43 -14.423 -3.158 18.276 319 HE1 TRP 43 HE1 TRP 43 -14.335 -5.651 17.640 320 HE3 TRP 43 HE3 TRP 43 -15.627 -2.775 13.322 321 HZ2 TRP 43 HZ2 TRP 43 -14.725 -7.244 15.342 322 HZ3 TRP 43 HZ3 TRP 43 -15.748 -4.831 11.975 323 HH2 TRP 43 HH2 TRP 43 -15.306 -7.018 12.966 324 H THR 44 H THR 44 -18.162 -0.312 15.037 325 HA THR 44 HA THR 44 -19.955 -2.486 15.705 326 HB THR 44 HB THR 44 -20.336 -0.594 13.398 327 HG1 THR 44 HG1 THR 44 -19.867 0.662 15.265 328 HG21 THR 44 1HG2 THR 44 -22.742 -0.880 14.157 329 HG22 THR 44 2HG2 THR 44 -22.156 -2.172 15.206 330 HG23 THR 44 3HG2 THR 44 -21.973 -2.303 13.457 331 H TYR 45 H TYR 45 -20.853 -3.895 14.022 332 HA TYR 45 HA TYR 45 -18.906 -4.498 11.895 333 HB2 TYR 45 2HB TYR 45 -19.695 -6.944 12.286 334 HB3 TYR 45 3HB TYR 45 -18.509 -6.246 13.383 335 HD1 TYR 45 HD1 TYR 45 -21.879 -7.557 13.046 336 HD2 TYR 45 HD2 TYR 45 -19.189 -5.546 15.656 337 HE1 TYR 45 HE1 TYR 45 -23.343 -8.084 14.950 338 HE2 TYR 45 HE2 TYR 45 -20.645 -6.068 17.569 339 HH TYR 45 HH TYR 45 -22.726 -6.782 18.156 340 H ASP 46 H ASP 46 -20.011 -3.676 10.188 341 HA ASP 46 HA ASP 46 -22.731 -4.712 9.726 342 HB2 ASP 46 2HB ASP 46 -21.616 -2.264 8.379 343 HB3 ASP 46 3HB ASP 46 -23.301 -2.731 8.594 344 H ASP 47 H ASP 47 -22.079 -6.601 8.688 345 HA ASP 47 HA ASP 47 -20.244 -6.568 6.490 346 HB2 ASP 47 2HB ASP 47 -21.224 -8.524 8.147 347 HB3 ASP 47 3HB ASP 47 -22.086 -8.849 6.646 348 H ALA 48 H ALA 48 -23.650 -6.121 6.866 349 HA ALA 48 HA ALA 48 -24.614 -6.835 4.360 350 HB1 ALA 48 1HB ALA 48 -25.491 -4.640 6.227 351 HB2 ALA 48 2HB ALA 48 -26.386 -5.117 4.783 352 HB3 ALA 48 3HB ALA 48 -26.147 -6.272 6.094 353 H THR 49 H THR 49 -22.758 -4.052 5.343 354 HA THR 49 HA THR 49 -22.771 -3.116 2.550 355 HB THR 49 HB THR 49 -22.842 -0.862 3.170 356 HG1 THR 49 HG1 THR 49 -22.263 -1.738 5.819 357 HG21 THR 49 1HG2 THR 49 -24.803 -0.623 4.625 358 HG22 THR 49 2HG2 THR 49 -24.619 -2.297 5.147 359 HG23 THR 49 3HG2 THR 49 -25.018 -1.935 3.467 360 H LYS 50 H LYS 50 -20.969 -4.418 4.979 361 HA LYS 50 HA LYS 50 -18.741 -4.722 5.315 362 HB2 LYS 50 2HB LYS 50 -18.410 -3.430 2.603 363 HB3 LYS 50 3HB LYS 50 -17.236 -4.444 3.432 364 HG2 LYS 50 2HG LYS 50 -18.105 -6.005 2.048 365 HG3 LYS 50 3HG LYS 50 -19.269 -6.161 3.367 366 HD2 LYS 50 2HD LYS 50 -20.917 -4.997 2.219 367 HD3 LYS 50 3HD LYS 50 -19.753 -4.208 1.149 368 HE2 LYS 50 2HE LYS 50 -19.845 -7.148 0.990 369 HE3 LYS 50 3HE LYS 50 -21.295 -6.312 0.436 370 HZ1 LYS 50 1HZ LYS 50 -20.231 -5.459 -1.336 371 HZ2 LYS 50 2HZ LYS 50 -19.183 -6.767 -1.110 372 HZ3 LYS 50 3HZ LYS 50 -18.769 -5.239 -0.515 373 H THR 51 H THR 51 -19.632 -2.664 6.698 374 HA THR 51 HA THR 51 -17.391 -0.800 6.638 375 HB THR 51 HB THR 51 -20.276 0.080 6.508 376 HG1 THR 51 HG1 THR 51 -19.333 -0.158 4.485 377 HG21 THR 51 1HG2 THR 51 -19.569 1.605 8.052 378 HG22 THR 51 2HG2 THR 51 -18.968 2.402 6.598 379 HG23 THR 51 3HG2 THR 51 -17.874 1.443 7.595 380 H PHE 52 H PHE 52 -16.812 -0.033 8.632 381 HA PHE 52 HA PHE 52 -18.429 -0.973 10.908 382 HB2 PHE 52 2HB PHE 52 -15.430 -0.609 10.901 383 HB3 PHE 52 3HB PHE 52 -16.412 -1.358 12.155 384 HD1 PHE 52 HD1 PHE 52 -18.150 -3.130 10.629 385 HD2 PHE 52 HD2 PHE 52 -14.014 -2.259 10.127 386 HE1 PHE 52 HE1 PHE 52 -17.818 -5.329 9.576 387 HE2 PHE 52 HE2 PHE 52 -13.676 -4.456 9.073 388 HZ PHE 52 HZ PHE 52 -15.579 -5.994 8.794 389 H THR 53 H THR 53 -19.203 0.564 12.184 390 HA THR 53 HA THR 53 -18.180 3.288 11.907 391 HB THR 53 HB THR 53 -20.202 4.065 12.833 392 HG1 THR 53 HG1 THR 53 -21.711 2.317 13.684 393 HG21 THR 53 1HG2 THR 53 -21.959 2.937 11.529 394 HG22 THR 53 2HG2 THR 53 -20.859 1.593 11.226 395 HG23 THR 53 3HG2 THR 53 -20.497 3.193 10.577 396 H VAL 54 H VAL 54 -17.091 4.333 13.462 397 HA VAL 54 HA VAL 54 -17.021 3.178 16.163 398 HB VAL 54 HB VAL 54 -14.583 4.113 14.641 399 HG11 VAL 54 1HG1 VAL 54 -13.635 2.830 16.814 400 HG12 VAL 54 2HG1 VAL 54 -13.894 4.573 16.741 401 HG13 VAL 54 3HG1 VAL 54 -15.108 3.531 17.481 402 HG21 VAL 54 1HG2 VAL 54 -13.890 1.853 14.532 403 HG22 VAL 54 2HG2 VAL 54 -15.182 1.327 15.610 404 HG23 VAL 54 3HG2 VAL 54 -15.564 1.879 13.979 405 H THR 55 H THR 55 -16.708 4.642 17.838 406 HA THR 55 HA THR 55 -16.267 7.445 17.255 407 HB THR 55 HB THR 55 -18.809 6.716 18.700 408 HG1 THR 55 HG1 THR 55 -19.095 5.996 16.594 409 HG21 THR 55 1HG2 THR 55 -19.391 9.016 18.364 410 HG22 THR 55 2HG2 THR 55 -17.994 9.271 17.318 411 HG23 THR 55 3HG2 THR 55 -17.763 8.968 19.040 412 H GLU 56 H GLU 56 -15.214 8.413 18.885 413 HA GLU 56 HA GLU 56 -15.201 7.064 21.505 414 HB2 GLU 56 2HB GLU 56 -13.064 6.997 20.036 415 HB3 GLU 56 3HB GLU 56 -12.887 8.686 20.489 416 HG2 GLU 56 2HG GLU 56 -13.243 6.557 22.562 417 HG3 GLU 56 3HG GLU 56 -11.661 6.910 21.868 Start of MODEL 5 1 H1 MET 1 H MET 1 -12.031 -10.876 4.084 2 HA MET 1 HA MET 1 -13.221 -10.356 1.442 3 HB2 MET 1 2HB MET 1 -14.532 -10.292 4.166 4 HB3 MET 1 3HB MET 1 -15.339 -9.990 2.633 5 HG2 MET 1 2HG MET 1 -14.513 -12.352 2.001 6 HG3 MET 1 3HG MET 1 -14.286 -12.558 3.736 7 HE1 MET 1 1HE MET 1 -15.880 -14.223 4.520 8 HE2 MET 1 2HE MET 1 -16.251 -12.792 5.482 9 HE3 MET 1 3HE MET 1 -17.559 -13.785 4.838 10 H THR 2 H THR 2 -13.210 -8.342 0.691 11 HA THR 2 HA THR 2 -11.877 -6.238 1.925 12 HB THR 2 HB THR 2 -14.065 -5.860 -0.119 13 HG1 THR 2 HG1 THR 2 -12.155 -6.108 -1.593 14 HG21 THR 2 1HG2 THR 2 -12.155 -4.161 -0.845 15 HG22 THR 2 2HG2 THR 2 -11.755 -4.269 0.869 16 HG23 THR 2 3HG2 THR 2 -13.361 -3.740 0.370 17 H PHE 3 H PHE 3 -12.417 -4.774 3.415 18 HA PHE 3 HA PHE 3 -15.215 -4.124 3.892 19 HB2 PHE 3 2HB PHE 3 -13.413 -5.456 5.892 20 HB3 PHE 3 3HB PHE 3 -14.705 -4.387 6.427 21 HD1 PHE 3 HD1 PHE 3 -13.897 -7.687 5.916 22 HD2 PHE 3 HD2 PHE 3 -17.028 -4.914 5.123 23 HE1 PHE 3 HE1 PHE 3 -15.498 -9.548 5.748 24 HE2 PHE 3 HE2 PHE 3 -18.634 -6.771 4.955 25 HZ PHE 3 HZ PHE 3 -17.870 -9.091 5.268 26 H LYS 4 H LYS 4 -15.485 -2.237 5.281 27 HA LYS 4 HA LYS 4 -13.087 -0.526 5.338 28 HB2 LYS 4 2HB LYS 4 -14.290 1.320 4.560 29 HB3 LYS 4 3HB LYS 4 -14.885 -0.003 3.566 30 HG2 LYS 4 2HG LYS 4 -16.861 -0.189 4.983 31 HG3 LYS 4 3HG LYS 4 -16.262 1.128 5.995 32 HD2 LYS 4 2HD LYS 4 -17.706 2.252 4.596 33 HD3 LYS 4 3HD LYS 4 -16.177 2.437 3.734 34 HE2 LYS 4 2HE LYS 4 -17.848 0.058 3.119 35 HE3 LYS 4 3HE LYS 4 -18.393 1.625 2.522 36 HZ1 LYS 4 1HZ LYS 4 -16.293 -0.030 1.561 37 HZ2 LYS 4 2HZ LYS 4 -15.710 1.512 1.937 38 HZ3 LYS 4 3HZ LYS 4 -16.991 1.335 0.846 39 H ALA 5 H ALA 5 -13.061 1.122 6.983 40 HA ALA 5 HA ALA 5 -14.964 0.772 9.178 41 HB1 ALA 5 1HB ALA 5 -12.803 0.942 10.688 42 HB2 ALA 5 2HB ALA 5 -13.399 -0.611 10.099 43 HB3 ALA 5 3HB ALA 5 -12.053 0.185 9.282 44 H ILE 6 H ILE 6 -15.694 2.697 9.769 45 HA ILE 6 HA ILE 6 -14.136 5.082 9.103 46 HB ILE 6 HB ILE 6 -17.023 4.699 9.873 47 HG12 ILE 6 2HG1 ILE 6 -17.232 5.950 7.610 48 HG13 ILE 6 3HG1 ILE 6 -15.545 5.503 7.381 49 HG21 ILE 6 1HG2 ILE 6 -17.038 7.263 9.309 50 HG22 ILE 6 2HG2 ILE 6 -16.661 6.697 10.935 51 HG23 ILE 6 3HG2 ILE 6 -15.360 7.169 9.841 52 HD11 ILE 6 1HD1 ILE 6 -16.091 3.436 6.800 53 HD12 ILE 6 2HD1 ILE 6 -17.153 3.244 8.196 54 HD13 ILE 6 3HD1 ILE 6 -17.761 3.997 6.721 55 H ILE 7 H ILE 7 -13.417 6.535 10.593 56 HA ILE 7 HA ILE 7 -13.944 5.940 13.428 57 HB ILE 7 HB ILE 7 -11.451 7.013 13.538 58 HG12 ILE 7 2HG1 ILE 7 -11.265 5.054 11.263 59 HG13 ILE 7 3HG1 ILE 7 -11.474 6.775 10.957 60 HG21 ILE 7 1HG2 ILE 7 -12.264 4.119 13.352 61 HG22 ILE 7 2HG2 ILE 7 -10.678 4.663 13.896 62 HG23 ILE 7 3HG2 ILE 7 -12.122 5.106 14.807 63 HD11 ILE 7 1HD1 ILE 7 -9.421 7.094 12.445 64 HD12 ILE 7 2HD1 ILE 7 -9.163 5.363 12.225 65 HD13 ILE 7 3HD1 ILE 7 -9.180 6.437 10.826 66 H ASN 8 H ASN 8 -14.500 7.641 14.647 67 HA ASN 8 HA ASN 8 -13.741 10.335 13.881 68 HB2 ASN 8 2HB ASN 8 -16.449 9.246 13.489 69 HB3 ASN 8 3HB ASN 8 -16.396 10.778 14.356 70 HD21 ASN 8 1HD2 ASN 8 -15.593 12.610 13.320 71 HD22 ASN 8 2HD2 ASN 8 -15.441 12.691 11.600 72 H GLY 9 H GLY 9 -13.012 11.215 15.695 73 HA2 GLY 9 2HA GLY 9 -14.181 10.349 18.255 74 HA3 GLY 9 3HA GLY 9 -12.585 11.057 18.053 75 H LYS 10 H LYS 10 -13.293 12.444 19.840 76 HA LYS 10 HA LYS 10 -15.420 14.228 19.729 77 HB2 LYS 10 2HB LYS 10 -13.690 13.707 21.624 78 HB3 LYS 10 3HB LYS 10 -12.800 15.054 20.927 79 HG2 LYS 10 2HG LYS 10 -14.832 16.462 21.222 80 HG3 LYS 10 3HG LYS 10 -15.578 15.113 22.080 81 HD2 LYS 10 2HD LYS 10 -13.619 15.159 23.652 82 HD3 LYS 10 3HD LYS 10 -13.111 16.657 22.867 83 HE2 LYS 10 2HE LYS 10 -15.788 16.225 24.189 84 HE3 LYS 10 3HE LYS 10 -14.410 17.020 24.948 85 HZ1 LYS 10 1HZ LYS 10 -15.339 18.861 24.110 86 HZ2 LYS 10 2HZ LYS 10 -16.251 18.023 22.958 87 HZ3 LYS 10 3HZ LYS 10 -14.627 18.383 22.652 88 H THR 11 H THR 11 -12.038 14.792 18.759 89 HA THR 11 HA THR 11 -12.993 16.747 16.797 90 HB THR 11 HB THR 11 -10.535 17.418 18.369 91 HG1 THR 11 HG1 THR 11 -12.099 17.189 19.973 92 HG21 THR 11 1HG2 THR 11 -12.021 18.600 16.274 93 HG22 THR 11 2HG2 THR 11 -10.611 19.253 17.109 94 HG23 THR 11 3HG2 THR 11 -12.232 19.618 17.698 95 H LEU 12 H LEU 12 -11.910 13.992 16.693 96 HA LEU 12 HA LEU 12 -9.540 14.532 15.027 97 HB2 LEU 12 2HB LEU 12 -8.939 12.121 15.530 98 HB3 LEU 12 3HB LEU 12 -8.741 13.286 16.837 99 HG LEU 12 HG LEU 12 -11.271 11.719 16.701 100 HD11 LEU 12 1HD1 LEU 12 -9.896 9.881 16.466 101 HD12 LEU 12 2HD1 LEU 12 -9.991 10.045 18.219 102 HD13 LEU 12 3HD1 LEU 12 -8.568 10.627 17.355 103 HD21 LEU 12 1HD2 LEU 12 -9.807 13.364 18.594 104 HD22 LEU 12 2HD2 LEU 12 -10.299 11.817 19.284 105 HD23 LEU 12 3HD2 LEU 12 -11.507 12.893 18.580 106 H LYS 13 H LYS 13 -9.657 13.951 12.954 107 HA LYS 13 HA LYS 13 -12.096 12.798 11.946 108 HB2 LYS 13 2HB LYS 13 -9.662 14.042 10.773 109 HB3 LYS 13 3HB LYS 13 -10.577 12.941 9.751 110 HG2 LYS 13 2HG LYS 13 -11.319 15.185 9.355 111 HG3 LYS 13 3HG LYS 13 -12.603 14.292 10.173 112 HD2 LYS 13 2HD LYS 13 -11.844 15.283 12.323 113 HD3 LYS 13 3HD LYS 13 -10.684 16.260 11.419 114 HE2 LYS 13 2HE LYS 13 -13.550 16.333 10.614 115 HE3 LYS 13 3HE LYS 13 -13.061 17.198 12.071 116 HZ1 LYS 13 1HZ LYS 13 -12.860 18.089 9.478 117 HZ2 LYS 13 2HZ LYS 13 -11.272 17.713 9.925 118 HZ3 LYS 13 3HZ LYS 13 -12.175 18.804 10.850 119 H GLY 14 H GLY 14 -11.909 11.056 10.201 120 HA2 GLY 14 2HA GLY 14 -9.789 9.190 10.255 121 HA3 GLY 14 3HA GLY 14 -11.048 8.668 11.365 122 H GLU 15 H GLU 15 -9.975 7.738 8.638 123 HA GLU 15 HA GLU 15 -12.362 6.625 7.686 124 HB2 GLU 15 2HB GLU 15 -12.400 7.856 5.450 125 HB3 GLU 15 3HB GLU 15 -13.053 8.711 6.841 126 HG2 GLU 15 2HG GLU 15 -10.946 9.939 7.065 127 HG3 GLU 15 3HG GLU 15 -10.316 9.098 5.650 128 H THR 16 H THR 16 -11.617 4.746 6.987 129 HA THR 16 HA THR 16 -9.715 4.567 4.865 130 HB THR 16 HB THR 16 -8.164 4.913 6.759 131 HG1 THR 16 HG1 THR 16 -7.365 3.648 5.108 132 HG21 THR 16 1HG2 THR 16 -8.755 2.228 7.864 133 HG22 THR 16 2HG2 THR 16 -9.876 3.525 8.279 134 HG23 THR 16 3HG2 THR 16 -8.163 3.680 8.670 135 H THR 17 H THR 17 -9.237 2.258 4.311 136 HA THR 17 HA THR 17 -11.327 0.426 5.273 137 HB THR 17 HB THR 17 -11.878 -0.310 3.077 138 HG1 THR 17 HG1 THR 17 -10.323 -0.234 1.649 139 HG21 THR 17 1HG2 THR 17 -13.120 1.476 2.417 140 HG22 THR 17 2HG2 THR 17 -11.749 2.584 2.461 141 HG23 THR 17 3HG2 THR 17 -12.563 2.128 3.957 142 H THR 18 H THR 18 -10.879 -1.857 4.744 143 HA THR 18 HA THR 18 -8.334 -2.712 3.851 144 HB THR 18 HB THR 18 -7.662 -1.741 6.050 145 HG1 THR 18 HG1 THR 18 -7.418 -4.578 5.970 146 HG21 THR 18 1HG2 THR 18 -8.536 -2.398 8.046 147 HG22 THR 18 2HG2 THR 18 -8.880 -4.033 7.481 148 HG23 THR 18 3HG2 THR 18 -9.952 -2.703 7.043 149 H GLU 19 H GLU 19 -8.314 -4.882 3.457 150 HA GLU 19 HA GLU 19 -10.795 -6.273 3.608 151 HB2 GLU 19 2HB GLU 19 -8.081 -7.418 2.939 152 HB3 GLU 19 3HB GLU 19 -9.648 -8.091 2.512 153 HG2 GLU 19 2HG GLU 19 -9.171 -7.108 0.541 154 HG3 GLU 19 3HG GLU 19 -9.902 -5.718 1.341 155 H ALA 20 H ALA 20 -11.354 -8.082 4.815 156 HA ALA 20 HA ALA 20 -9.540 -8.917 6.954 157 HB1 ALA 20 1HB ALA 20 -12.245 -7.691 7.341 158 HB2 ALA 20 2HB ALA 20 -11.593 -8.835 8.515 159 HB3 ALA 20 3HB ALA 20 -10.730 -7.336 8.172 160 H VAL 21 H VAL 21 -9.570 -11.056 7.276 161 HA VAL 21 HA VAL 21 -11.089 -12.754 5.596 162 HB VAL 21 HB VAL 21 -9.506 -13.449 8.074 163 HG11 VAL 21 1HG1 VAL 21 -10.575 -15.191 5.857 164 HG12 VAL 21 2HG1 VAL 21 -9.434 -15.721 7.094 165 HG13 VAL 21 3HG1 VAL 21 -11.061 -15.217 7.552 166 HG21 VAL 21 1HG2 VAL 21 -8.021 -12.455 6.534 167 HG22 VAL 21 2HG2 VAL 21 -7.819 -14.195 6.331 168 HG23 VAL 21 3HG2 VAL 21 -8.768 -13.276 5.163 169 H ASP 22 H ASP 22 -11.309 -11.978 9.051 170 HA ASP 22 HA ASP 22 -14.110 -12.809 9.006 171 HB2 ASP 22 2HB ASP 22 -12.088 -13.818 11.018 172 HB3 ASP 22 3HB ASP 22 -13.832 -14.033 11.153 173 H ALA 23 H ALA 23 -14.957 -12.380 11.443 174 HA ALA 23 HA ALA 23 -14.882 -9.573 11.749 175 HB1 ALA 23 1HB ALA 23 -15.830 -11.535 13.824 176 HB2 ALA 23 2HB ALA 23 -16.358 -9.870 13.579 177 HB3 ALA 23 3HB ALA 23 -16.770 -11.109 12.394 178 H ALA 24 H ALA 24 -12.898 -12.093 12.988 179 HA ALA 24 HA ALA 24 -11.885 -10.526 15.208 180 HB1 ALA 24 1HB ALA 24 -11.369 -13.282 14.170 181 HB2 ALA 24 2HB ALA 24 -10.250 -12.537 15.312 182 HB3 ALA 24 3HB ALA 24 -11.940 -12.772 15.759 183 H THR 25 H THR 25 -10.882 -11.499 11.980 184 HA THR 25 HA THR 25 -8.208 -10.849 11.997 185 HB THR 25 HB THR 25 -10.193 -10.377 9.764 186 HG1 THR 25 HG1 THR 25 -8.393 -12.542 10.215 187 HG21 THR 25 1HG2 THR 25 -7.442 -9.648 9.965 188 HG22 THR 25 2HG2 THR 25 -8.529 -9.483 8.585 189 HG23 THR 25 3HG2 THR 25 -7.594 -10.962 8.799 190 H ALA 26 H ALA 26 -10.959 -8.672 11.431 191 HA ALA 26 HA ALA 26 -9.367 -6.347 11.056 192 HB1 ALA 26 1HB ALA 26 -11.313 -5.282 10.650 193 HB2 ALA 26 2HB ALA 26 -11.947 -6.926 10.561 194 HB3 ALA 26 3HB ALA 26 -12.119 -5.993 12.048 195 H GLU 27 H GLU 27 -10.658 -7.974 13.848 196 HA GLU 27 HA GLU 27 -10.330 -5.763 15.645 197 HB2 GLU 27 2HB GLU 27 -11.957 -7.312 16.322 198 HB3 GLU 27 3HB GLU 27 -10.914 -8.688 15.993 199 HG2 GLU 27 2HG GLU 27 -9.784 -8.486 17.968 200 HG3 GLU 27 3HG GLU 27 -10.086 -6.754 18.091 201 H LYS 28 H LYS 28 -8.430 -8.575 14.715 202 HA LYS 28 HA LYS 28 -6.438 -8.303 16.713 203 HB2 LYS 28 2HB LYS 28 -6.369 -9.638 14.002 204 HB3 LYS 28 3HB LYS 28 -5.081 -9.763 15.193 205 HG2 LYS 28 2HG LYS 28 -7.922 -10.681 15.584 206 HG3 LYS 28 3HG LYS 28 -6.541 -11.718 15.220 207 HD2 LYS 28 2HD LYS 28 -5.467 -10.938 17.317 208 HD3 LYS 28 3HD LYS 28 -6.934 -10.030 17.690 209 HE2 LYS 28 2HE LYS 28 -7.121 -12.051 18.884 210 HE3 LYS 28 3HE LYS 28 -8.177 -12.231 17.484 211 HZ1 LYS 28 1HZ LYS 28 -5.959 -13.808 18.247 212 HZ2 LYS 28 2HZ LYS 28 -5.685 -13.153 16.712 213 HZ3 LYS 28 3HZ LYS 28 -7.074 -14.074 17.003 214 H VAL 29 H VAL 29 -6.919 -6.853 13.574 215 HA VAL 29 HA VAL 29 -4.250 -5.732 13.479 216 HB VAL 29 HB VAL 29 -5.424 -6.418 11.405 217 HG11 VAL 29 1HG1 VAL 29 -7.237 -4.105 12.082 218 HG12 VAL 29 2HG1 VAL 29 -7.188 -4.917 10.515 219 HG13 VAL 29 3HG1 VAL 29 -7.686 -5.806 11.955 220 HG21 VAL 29 1HG2 VAL 29 -3.815 -4.233 11.830 221 HG22 VAL 29 2HG2 VAL 29 -4.228 -4.915 10.257 222 HG23 VAL 29 3HG2 VAL 29 -5.154 -3.559 10.900 223 H PHE 30 H PHE 30 -7.459 -4.763 14.428 224 HA PHE 30 HA PHE 30 -6.916 -1.954 14.490 225 HB2 PHE 30 2HB PHE 30 -9.170 -3.718 15.092 226 HB3 PHE 30 3HB PHE 30 -9.045 -2.357 16.203 227 HD1 PHE 30 HD1 PHE 30 -8.302 -0.100 14.758 228 HD2 PHE 30 HD2 PHE 30 -10.684 -3.364 13.420 229 HE1 PHE 30 HE1 PHE 30 -9.361 1.362 13.087 230 HE2 PHE 30 HE2 PHE 30 -11.746 -1.908 11.746 231 HZ PHE 30 HZ PHE 30 -11.084 0.459 11.577 232 H LYS 31 H LYS 31 -6.713 -4.600 16.778 233 HA LYS 31 HA LYS 31 -6.550 -3.266 19.184 234 HB2 LYS 31 2HB LYS 31 -5.455 -5.172 20.057 235 HB3 LYS 31 3HB LYS 31 -6.491 -5.772 18.768 236 HG2 LYS 31 2HG LYS 31 -4.616 -6.901 18.222 237 HG3 LYS 31 3HG LYS 31 -4.254 -5.402 17.363 238 HD2 LYS 31 2HD LYS 31 -2.695 -4.730 18.920 239 HD3 LYS 31 3HD LYS 31 -3.427 -5.678 20.217 240 HE2 LYS 31 2HE LYS 31 -2.698 -7.720 18.801 241 HE3 LYS 31 3HE LYS 31 -1.623 -6.575 18.000 242 HZ1 LYS 31 1HZ LYS 31 -0.402 -7.558 19.742 243 HZ2 LYS 31 2HZ LYS 31 -1.648 -7.334 20.864 244 HZ3 LYS 31 3HZ LYS 31 -0.789 -6.000 20.277 245 H GLN 32 H GLN 32 -4.174 -3.493 16.634 246 HA GLN 32 HA GLN 32 -2.093 -2.287 18.260 247 HB2 GLN 32 2HB GLN 32 -1.675 -4.066 16.498 248 HB3 GLN 32 3HB GLN 32 -2.010 -2.829 15.294 249 HG2 GLN 32 2HG GLN 32 0.395 -3.170 15.709 250 HG3 GLN 32 3HG GLN 32 -0.142 -1.522 16.028 251 HE21 GLN 32 1HE2 GLN 32 0.474 -4.614 17.629 252 HE22 GLN 32 2HE2 GLN 32 1.026 -3.934 19.118 253 H TYR 33 H TYR 33 -4.363 -1.382 15.755 254 HA TYR 33 HA TYR 33 -3.208 1.131 15.126 255 HB2 TYR 33 2HB TYR 33 -5.820 -0.207 14.617 256 HB3 TYR 33 3HB TYR 33 -5.747 1.541 14.423 257 HD1 TYR 33 HD1 TYR 33 -3.162 -1.028 13.648 258 HD2 TYR 33 HD2 TYR 33 -5.858 1.889 12.122 259 HE1 TYR 33 HE1 TYR 33 -2.201 -1.323 11.403 260 HE2 TYR 33 HE2 TYR 33 -4.905 1.601 9.873 261 HH TYR 33 HH TYR 33 -3.631 0.149 8.585 262 H PHE 34 H PHE 34 -5.932 0.213 17.224 263 HA PHE 34 HA PHE 34 -6.660 2.726 18.118 264 HB2 PHE 34 2HB PHE 34 -7.396 0.132 18.709 265 HB3 PHE 34 3HB PHE 34 -6.732 0.708 20.234 266 HD1 PHE 34 HD1 PHE 34 -9.625 0.474 18.306 267 HD2 PHE 34 HD2 PHE 34 -7.570 3.128 20.924 268 HE1 PHE 34 HE1 PHE 34 -11.740 1.640 18.779 269 HE2 PHE 34 HE2 PHE 34 -9.682 4.297 21.402 270 HZ PHE 34 HZ PHE 34 -11.770 3.553 20.330 271 H ASN 35 H ASN 35 -4.024 0.659 19.180 272 HA ASN 35 HA ASN 35 -3.310 1.963 21.533 273 HB2 ASN 35 2HB ASN 35 -2.325 -0.168 20.909 274 HB3 ASN 35 3HB ASN 35 -1.549 0.566 19.509 275 HD21 ASN 35 1HD2 ASN 35 0.547 0.612 19.861 276 HD22 ASN 35 2HD2 ASN 35 1.322 1.129 21.316 277 H ASP 36 H ASP 36 -2.911 2.917 18.234 278 HA ASP 36 HA ASP 36 -0.799 4.771 18.574 279 HB2 ASP 36 2HB ASP 36 -3.011 4.787 16.509 280 HB3 ASP 36 3HB ASP 36 -1.489 5.668 16.405 281 H ASN 37 H ASN 37 -4.219 4.917 19.170 282 HA ASN 37 HA ASN 37 -4.204 7.809 19.465 283 HB2 ASN 37 2HB ASN 37 -6.521 6.062 20.226 284 HB3 ASN 37 3HB ASN 37 -6.530 7.698 19.574 285 HD21 ASN 37 1HD2 ASN 37 -5.589 7.865 17.321 286 HD22 ASN 37 2HD2 ASN 37 -6.060 6.637 16.201 287 H GLY 38 H GLY 38 -3.823 4.995 21.397 288 HA2 GLY 38 2HA GLY 38 -3.261 4.791 23.623 289 HA3 GLY 38 3HA GLY 38 -3.211 6.545 23.715 290 H LEU 39 H LEU 39 -6.111 5.163 22.511 291 HA LEU 39 HA LEU 39 -7.395 5.552 25.135 292 HB2 LEU 39 2HB LEU 39 -8.120 6.546 22.437 293 HB3 LEU 39 3HB LEU 39 -9.436 6.045 23.497 294 HG LEU 39 HG LEU 39 -9.091 8.441 23.634 295 HD11 LEU 39 1HD1 LEU 39 -7.971 7.468 26.212 296 HD12 LEU 39 2HD1 LEU 39 -9.546 6.868 25.693 297 HD13 LEU 39 3HD1 LEU 39 -9.289 8.599 25.905 298 HD21 LEU 39 1HD2 LEU 39 -6.326 7.851 24.674 299 HD22 LEU 39 2HD2 LEU 39 -7.049 9.431 24.371 300 HD23 LEU 39 3HD2 LEU 39 -6.667 8.362 23.021 301 H ASP 40 H ASP 40 -9.672 4.503 25.112 302 HA ASP 40 HA ASP 40 -9.520 1.888 23.765 303 HB2 ASP 40 2HB ASP 40 -10.706 1.003 25.862 304 HB3 ASP 40 3HB ASP 40 -8.988 1.369 25.999 305 H GLY 41 H GLY 41 -11.188 1.565 22.458 306 HA2 GLY 41 2HA GLY 41 -13.811 2.665 23.229 307 HA3 GLY 41 3HA GLY 41 -13.185 2.927 21.608 308 H GLU 42 H GLU 42 -14.816 1.833 20.553 309 HA GLU 42 HA GLU 42 -14.561 -1.053 20.570 310 HB2 GLU 42 2HB GLU 42 -16.983 -1.438 20.835 311 HB3 GLU 42 3HB GLU 42 -16.259 -0.736 22.275 312 HG2 GLU 42 2HG GLU 42 -17.554 1.017 20.234 313 HG3 GLU 42 3HG GLU 42 -18.530 0.153 21.421 314 H TRP 43 H TRP 43 -15.516 -2.060 18.719 315 HA TRP 43 HA TRP 43 -16.286 -0.189 16.582 316 HB2 TRP 43 2HB TRP 43 -14.919 -1.323 14.991 317 HB3 TRP 43 3HB TRP 43 -13.899 -1.003 16.391 318 HD1 TRP 43 HD1 TRP 43 -13.555 -3.199 18.095 319 HE1 TRP 43 HE1 TRP 43 -13.281 -5.679 17.464 320 HE3 TRP 43 HE3 TRP 43 -15.507 -3.056 13.372 321 HZ2 TRP 43 HZ2 TRP 43 -13.819 -7.353 15.256 322 HZ3 TRP 43 HZ3 TRP 43 -15.590 -5.140 12.066 323 HH2 TRP 43 HH2 TRP 43 -14.763 -7.243 12.990 324 H THR 44 H THR 44 -18.006 -0.772 15.381 325 HA THR 44 HA THR 44 -19.437 -3.177 16.167 326 HB THR 44 HB THR 44 -21.330 -2.287 14.996 327 HG1 THR 44 HG1 THR 44 -19.909 -0.027 14.113 328 HG21 THR 44 1HG2 THR 44 -19.839 -0.105 16.457 329 HG22 THR 44 2HG2 THR 44 -20.954 -1.278 17.158 330 HG23 THR 44 3HG2 THR 44 -21.552 -0.046 16.046 331 H TYR 45 H TYR 45 -20.612 -4.370 14.350 332 HA TYR 45 HA TYR 45 -18.845 -4.698 12.020 333 HB2 TYR 45 2HB TYR 45 -19.469 -7.190 12.193 334 HB3 TYR 45 3HB TYR 45 -18.273 -6.565 13.323 335 HD1 TYR 45 HD1 TYR 45 -21.574 -8.025 12.953 336 HD2 TYR 45 HD2 TYR 45 -18.900 -6.159 15.687 337 HE1 TYR 45 HE1 TYR 45 -22.927 -8.853 14.833 338 HE2 TYR 45 HE2 TYR 45 -20.245 -6.983 17.574 339 HH TYR 45 HH TYR 45 -23.296 -8.033 17.336 340 H ASP 46 H ASP 46 -20.000 -4.050 10.328 341 HA ASP 46 HA ASP 46 -22.787 -4.983 10.106 342 HB2 ASP 46 2HB ASP 46 -21.747 -2.438 8.864 343 HB3 ASP 46 3HB ASP 46 -23.422 -2.948 9.055 344 H ASP 47 H ASP 47 -22.241 -6.807 8.912 345 HA ASP 47 HA ASP 47 -20.595 -6.659 6.574 346 HB2 ASP 47 2HB ASP 47 -21.453 -8.701 8.196 347 HB3 ASP 47 3HB ASP 47 -22.435 -8.939 6.754 348 H ALA 48 H ALA 48 -23.952 -6.214 7.255 349 HA ALA 48 HA ALA 48 -25.157 -6.798 4.834 350 HB1 ALA 48 1HB ALA 48 -26.967 -5.518 5.538 351 HB2 ALA 48 2HB ALA 48 -26.194 -5.995 7.051 352 HB3 ALA 48 3HB ALA 48 -25.944 -4.372 6.407 353 H THR 49 H THR 49 -23.185 -4.050 5.733 354 HA THR 49 HA THR 49 -23.401 -3.060 2.965 355 HB THR 49 HB THR 49 -24.481 -1.408 4.284 356 HG1 THR 49 HG1 THR 49 -22.955 0.354 4.097 357 HG21 THR 49 1HG2 THR 49 -24.097 -1.316 6.479 358 HG22 THR 49 2HG2 THR 49 -22.572 -0.501 6.133 359 HG23 THR 49 3HG2 THR 49 -22.616 -2.255 6.303 360 H LYS 50 H LYS 50 -21.420 -4.452 5.215 361 HA LYS 50 HA LYS 50 -19.183 -4.850 5.313 362 HB2 LYS 50 2HB LYS 50 -19.002 -3.458 2.639 363 HB3 LYS 50 3HB LYS 50 -17.866 -4.617 3.315 364 HG2 LYS 50 2HG LYS 50 -18.948 -6.111 2.063 365 HG3 LYS 50 3HG LYS 50 -20.185 -6.048 3.320 366 HD2 LYS 50 2HD LYS 50 -21.575 -4.691 2.066 367 HD3 LYS 50 3HD LYS 50 -20.250 -4.071 1.079 368 HE2 LYS 50 2HE LYS 50 -20.109 -6.099 -0.151 369 HE3 LYS 50 3HE LYS 50 -21.179 -6.933 0.975 370 HZ1 LYS 50 1HZ LYS 50 -22.778 -4.983 0.207 371 HZ2 LYS 50 2HZ LYS 50 -22.673 -6.449 -0.630 372 HZ3 LYS 50 3HZ LYS 50 -21.830 -5.093 -1.190 373 H THR 51 H THR 51 -19.907 -2.788 6.813 374 HA THR 51 HA THR 51 -17.605 -1.009 6.625 375 HB THR 51 HB THR 51 -20.450 -0.003 6.767 376 HG1 THR 51 HG1 THR 51 -19.969 -0.028 4.671 377 HG21 THR 51 1HG2 THR 51 -19.004 2.247 6.711 378 HG22 THR 51 2HG2 THR 51 -17.887 1.223 7.614 379 HG23 THR 51 3HG2 THR 51 -19.523 1.488 8.216 380 H PHE 52 H PHE 52 -16.867 -0.276 8.588 381 HA PHE 52 HA PHE 52 -18.304 -1.288 10.954 382 HB2 PHE 52 2HB PHE 52 -15.325 -0.844 10.677 383 HB3 PHE 52 3HB PHE 52 -16.158 -1.566 12.050 384 HD1 PHE 52 HD1 PHE 52 -18.025 -3.399 10.742 385 HD2 PHE 52 HD2 PHE 52 -13.961 -2.511 9.837 386 HE1 PHE 52 HE1 PHE 52 -17.767 -5.626 9.728 387 HE2 PHE 52 HE2 PHE 52 -13.698 -4.736 8.821 388 HZ PHE 52 HZ PHE 52 -15.602 -6.296 8.764 389 H THR 53 H THR 53 -18.914 0.140 12.447 390 HA THR 53 HA THR 53 -18.148 2.935 12.085 391 HB THR 53 HB THR 53 -20.024 3.532 13.406 392 HG1 THR 53 HG1 THR 53 -20.009 2.165 15.117 393 HG21 THR 53 1HG2 THR 53 -21.896 2.332 12.327 394 HG22 THR 53 2HG2 THR 53 -20.754 1.124 11.735 395 HG23 THR 53 3HG2 THR 53 -20.641 2.794 11.178 396 H VAL 54 H VAL 54 -16.701 3.905 13.342 397 HA VAL 54 HA VAL 54 -16.224 2.855 16.045 398 HB VAL 54 HB VAL 54 -14.052 3.618 14.088 399 HG11 VAL 54 1HG1 VAL 54 -12.566 2.731 15.937 400 HG12 VAL 54 2HG1 VAL 54 -13.332 4.293 16.235 401 HG13 VAL 54 3HG1 VAL 54 -13.976 2.835 16.990 402 HG21 VAL 54 1HG2 VAL 54 -13.478 1.351 13.948 403 HG22 VAL 54 2HG2 VAL 54 -14.471 0.921 15.341 404 HG23 VAL 54 3HG2 VAL 54 -15.236 1.367 13.816 405 H THR 55 H THR 55 -15.651 4.369 17.585 406 HA THR 55 HA THR 55 -15.246 7.139 16.792 407 HB THR 55 HB THR 55 -17.022 7.870 18.480 408 HG1 THR 55 HG1 THR 55 -17.243 5.444 19.057 409 HG21 THR 55 1HG2 THR 55 -18.417 6.546 16.222 410 HG22 THR 55 2HG2 THR 55 -17.117 7.667 15.818 411 HG23 THR 55 3HG2 THR 55 -18.492 8.218 16.775 412 H GLU 56 H GLU 56 -14.095 8.315 18.268 413 HA GLU 56 HA GLU 56 -13.081 6.819 20.575 414 HB2 GLU 56 2HB GLU 56 -11.377 7.656 19.072 415 HB3 GLU 56 3HB GLU 56 -12.034 9.283 19.175 416 HG2 GLU 56 2HG GLU 56 -9.947 8.763 20.531 417 HG3 GLU 56 3HG GLU 56 -11.270 9.587 21.353 Start of MODEL 6 1 H1 MET 1 H MET 1 -10.907 -10.852 3.305 2 HA MET 1 HA MET 1 -12.681 -10.253 1.030 3 HB2 MET 1 2HB MET 1 -13.280 -10.857 3.863 4 HB3 MET 1 3HB MET 1 -14.192 -9.530 3.154 5 HG2 MET 1 2HG MET 1 -14.866 -11.053 1.315 6 HG3 MET 1 3HG MET 1 -14.065 -12.369 2.170 7 HE1 MET 1 1HE MET 1 -16.650 -9.520 2.501 8 HE2 MET 1 2HE MET 1 -17.469 -10.772 1.568 9 HE3 MET 1 3HE MET 1 -18.041 -10.362 3.185 10 H THR 2 H THR 2 -13.719 -8.066 1.200 11 HA THR 2 HA THR 2 -11.715 -6.122 2.127 12 HB THR 2 HB THR 2 -13.831 -5.865 -0.018 13 HG1 THR 2 HG1 THR 2 -12.124 -5.961 -1.404 14 HG21 THR 2 1HG2 THR 2 -13.589 -3.736 1.116 15 HG22 THR 2 2HG2 THR 2 -12.810 -3.654 -0.464 16 HG23 THR 2 3HG2 THR 2 -11.833 -3.838 0.992 17 H PHE 3 H PHE 3 -12.275 -4.430 3.430 18 HA PHE 3 HA PHE 3 -15.072 -4.009 4.124 19 HB2 PHE 3 2HB PHE 3 -12.964 -4.931 6.067 20 HB3 PHE 3 3HB PHE 3 -14.377 -4.029 6.603 21 HD1 PHE 3 HD1 PHE 3 -13.095 -7.224 5.542 22 HD2 PHE 3 HD2 PHE 3 -16.647 -4.990 6.252 23 HE1 PHE 3 HE1 PHE 3 -14.390 -9.315 5.623 24 HE2 PHE 3 HE2 PHE 3 -17.947 -7.077 6.335 25 HZ PHE 3 HZ PHE 3 -16.819 -9.243 6.021 26 H LYS 4 H LYS 4 -15.326 -2.091 5.583 27 HA LYS 4 HA LYS 4 -13.119 -0.173 5.342 28 HB2 LYS 4 2HB LYS 4 -14.378 0.509 3.502 29 HB3 LYS 4 3HB LYS 4 -15.908 0.127 4.282 30 HG2 LYS 4 2HG LYS 4 -15.694 2.046 5.731 31 HG3 LYS 4 3HG LYS 4 -14.099 2.404 5.064 32 HD2 LYS 4 2HD LYS 4 -16.409 2.196 3.196 33 HD3 LYS 4 3HD LYS 4 -16.263 3.642 4.196 34 HE2 LYS 4 2HE LYS 4 -14.947 4.398 2.546 35 HE3 LYS 4 3HE LYS 4 -13.719 3.359 3.268 36 HZ1 LYS 4 1HZ LYS 4 -14.978 1.626 1.688 37 HZ2 LYS 4 2HZ LYS 4 -13.630 2.522 1.200 38 HZ3 LYS 4 3HZ LYS 4 -15.185 3.042 0.786 39 H ALA 5 H ALA 5 -12.651 0.209 7.416 40 HA ALA 5 HA ALA 5 -14.822 0.472 9.364 41 HB1 ALA 5 1HB ALA 5 -12.371 -0.764 9.519 42 HB2 ALA 5 2HB ALA 5 -12.112 0.745 10.395 43 HB3 ALA 5 3HB ALA 5 -13.408 -0.348 10.884 44 H ILE 6 H ILE 6 -15.458 2.380 10.137 45 HA ILE 6 HA ILE 6 -13.884 4.757 9.417 46 HB ILE 6 HB ILE 6 -16.815 4.394 9.997 47 HG12 ILE 6 2HG1 ILE 6 -16.780 5.778 7.755 48 HG13 ILE 6 3HG1 ILE 6 -15.137 5.157 7.636 49 HG21 ILE 6 1HG2 ILE 6 -16.924 6.913 9.627 50 HG22 ILE 6 2HG2 ILE 6 -16.335 6.354 11.192 51 HG23 ILE 6 3HG2 ILE 6 -15.195 6.921 9.973 52 HD11 ILE 6 1HD1 ILE 6 -15.874 2.937 7.516 53 HD12 ILE 6 2HD1 ILE 6 -17.494 3.357 8.074 54 HD13 ILE 6 3HD1 ILE 6 -16.961 3.847 6.466 55 H ILE 7 H ILE 7 -13.197 6.185 10.936 56 HA ILE 7 HA ILE 7 -13.861 5.587 13.745 57 HB ILE 7 HB ILE 7 -11.441 6.683 14.048 58 HG12 ILE 7 2HG1 ILE 7 -10.929 4.977 11.644 59 HG13 ILE 7 3HG1 ILE 7 -11.375 6.664 11.414 60 HG21 ILE 7 1HG2 ILE 7 -12.053 4.617 15.062 61 HG22 ILE 7 2HG2 ILE 7 -12.091 3.795 13.503 62 HG23 ILE 7 3HG2 ILE 7 -10.554 4.340 14.173 63 HD11 ILE 7 1HD1 ILE 7 -8.995 6.479 11.387 64 HD12 ILE 7 2HD1 ILE 7 -9.475 7.302 12.871 65 HD13 ILE 7 3HD1 ILE 7 -8.998 5.606 12.920 66 H ASN 8 H ASN 8 -14.067 7.328 15.148 67 HA ASN 8 HA ASN 8 -13.660 10.025 14.160 68 HB2 ASN 8 2HB ASN 8 -16.382 8.873 14.731 69 HB3 ASN 8 3HB ASN 8 -16.070 10.599 14.890 70 HD21 ASN 8 1HD2 ASN 8 -17.241 8.339 12.876 71 HD22 ASN 8 2HD2 ASN 8 -16.955 9.107 11.354 72 H GLY 9 H GLY 9 -13.424 11.540 15.783 73 HA2 GLY 9 2HA GLY 9 -13.712 10.537 18.546 74 HA3 GLY 9 3HA GLY 9 -12.256 11.372 18.024 75 H LYS 10 H LYS 10 -13.070 12.609 20.033 76 HA LYS 10 HA LYS 10 -15.276 14.261 20.041 77 HB2 LYS 10 2HB LYS 10 -12.507 14.732 21.149 78 HB3 LYS 10 3HB LYS 10 -13.869 15.794 21.478 79 HG2 LYS 10 2HG LYS 10 -15.069 13.960 22.529 80 HG3 LYS 10 3HG LYS 10 -13.734 12.865 22.165 81 HD2 LYS 10 2HD LYS 10 -13.396 13.481 24.401 82 HD3 LYS 10 3HD LYS 10 -12.274 14.493 23.491 83 HE2 LYS 10 2HE LYS 10 -13.791 16.366 23.624 84 HE3 LYS 10 3HE LYS 10 -15.013 15.363 24.404 85 HZ1 LYS 10 1HZ LYS 10 -14.054 16.423 26.182 86 HZ2 LYS 10 2HZ LYS 10 -12.502 16.421 25.508 87 HZ3 LYS 10 3HZ LYS 10 -13.150 14.993 26.145 88 H THR 11 H THR 11 -12.029 15.037 18.799 89 HA THR 11 HA THR 11 -13.263 16.924 16.929 90 HB THR 11 HB THR 11 -10.719 17.794 18.215 91 HG1 THR 11 HG1 THR 11 -13.285 17.873 19.426 92 HG21 THR 11 1HG2 THR 11 -12.604 19.870 17.936 93 HG22 THR 11 2HG2 THR 11 -12.730 18.879 16.483 94 HG23 THR 11 3HG2 THR 11 -11.175 19.570 16.950 95 H LEU 12 H LEU 12 -12.022 14.244 16.728 96 HA LEU 12 HA LEU 12 -9.888 14.934 14.819 97 HB2 LEU 12 2HB LEU 12 -8.584 13.142 15.472 98 HB3 LEU 12 3HB LEU 12 -9.213 13.748 17.003 99 HG LEU 12 HG LEU 12 -11.058 11.881 16.511 100 HD11 LEU 12 1HD1 LEU 12 -10.533 10.566 14.803 101 HD12 LEU 12 2HD1 LEU 12 -9.148 10.004 15.738 102 HD13 LEU 12 3HD1 LEU 12 -8.963 11.345 14.609 103 HD21 LEU 12 1HD2 LEU 12 -10.196 10.963 18.354 104 HD22 LEU 12 2HD2 LEU 12 -8.969 12.227 18.267 105 HD23 LEU 12 3HD2 LEU 12 -8.649 10.637 17.571 106 H LYS 13 H LYS 13 -10.062 14.103 12.818 107 HA LYS 13 HA LYS 13 -12.497 12.709 12.134 108 HB2 LYS 13 2HB LYS 13 -10.263 13.978 10.607 109 HB3 LYS 13 3HB LYS 13 -11.296 12.814 9.786 110 HG2 LYS 13 2HG LYS 13 -12.386 14.754 9.295 111 HG3 LYS 13 3HG LYS 13 -13.219 14.296 10.782 112 HD2 LYS 13 2HD LYS 13 -12.745 16.482 11.258 113 HD3 LYS 13 3HD LYS 13 -11.284 15.717 11.886 114 HE2 LYS 13 2HE LYS 13 -10.479 16.098 9.383 115 HE3 LYS 13 3HE LYS 13 -11.670 17.394 9.466 116 HZ1 LYS 13 1HZ LYS 13 -9.525 17.044 11.481 117 HZ2 LYS 13 2HZ LYS 13 -10.531 18.387 11.263 118 HZ3 LYS 13 3HZ LYS 13 -9.349 18.019 10.110 119 H GLY 14 H GLY 14 -12.333 10.851 10.520 120 HA2 GLY 14 2HA GLY 14 -10.042 9.171 10.546 121 HA3 GLY 14 3HA GLY 14 -11.214 8.624 11.737 122 H GLU 15 H GLU 15 -10.159 7.808 8.881 123 HA GLU 15 HA GLU 15 -12.449 6.351 8.140 124 HB2 GLU 15 2HB GLU 15 -13.316 8.502 7.399 125 HB3 GLU 15 3HB GLU 15 -11.867 8.785 6.447 126 HG2 GLU 15 2HG GLU 15 -12.447 6.764 5.104 127 HG3 GLU 15 3HG GLU 15 -13.978 6.698 5.975 128 H THR 16 H THR 16 -11.495 4.563 7.452 129 HA THR 16 HA THR 16 -9.678 4.621 5.220 130 HB THR 16 HB THR 16 -8.577 3.259 7.654 131 HG1 THR 16 HG1 THR 16 -7.727 5.856 6.968 132 HG21 THR 16 1HG2 THR 16 -7.585 4.148 4.985 133 HG22 THR 16 2HG2 THR 16 -7.333 2.620 5.829 134 HG23 THR 16 3HG2 THR 16 -6.446 4.060 6.327 135 H THR 17 H THR 17 -9.263 2.518 4.342 136 HA THR 17 HA THR 17 -11.270 0.539 5.185 137 HB THR 17 HB THR 17 -11.287 -0.317 2.954 138 HG1 THR 17 HG1 THR 17 -9.705 0.041 1.555 139 HG21 THR 17 1HG2 THR 17 -11.250 2.703 2.905 140 HG22 THR 17 2HG2 THR 17 -12.640 1.672 3.246 141 HG23 THR 17 3HG2 THR 17 -11.922 1.682 1.635 142 H THR 18 H THR 18 -10.676 -1.758 4.835 143 HA THR 18 HA THR 18 -7.947 -2.534 4.636 144 HB THR 18 HB THR 18 -7.725 -1.677 6.871 145 HG1 THR 18 HG1 THR 18 -6.750 -3.733 6.451 146 HG21 THR 18 1HG2 THR 18 -10.075 -3.421 7.621 147 HG22 THR 18 2HG2 THR 18 -10.115 -1.666 7.466 148 HG23 THR 18 3HG2 THR 18 -9.128 -2.418 8.718 149 H GLU 19 H GLU 19 -7.900 -4.565 3.911 150 HA GLU 19 HA GLU 19 -10.312 -6.071 3.671 151 HB2 GLU 19 2HB GLU 19 -8.852 -7.787 2.626 152 HB3 GLU 19 3HB GLU 19 -8.666 -6.190 1.914 153 HG2 GLU 19 2HG GLU 19 -6.481 -6.609 2.124 154 HG3 GLU 19 3HG GLU 19 -6.733 -6.120 3.798 155 H ALA 20 H ALA 20 -11.055 -7.740 4.852 156 HA ALA 20 HA ALA 20 -9.326 -8.819 6.976 157 HB1 ALA 20 1HB ALA 20 -10.682 -7.421 8.226 158 HB2 ALA 20 2HB ALA 20 -12.097 -7.718 7.215 159 HB3 ALA 20 3HB ALA 20 -11.529 -8.965 8.326 160 H VAL 21 H VAL 21 -10.097 -10.918 7.829 161 HA VAL 21 HA VAL 21 -11.264 -12.523 5.658 162 HB VAL 21 HB VAL 21 -9.514 -13.396 7.961 163 HG11 VAL 21 1HG1 VAL 21 -11.077 -15.148 7.376 164 HG12 VAL 21 2HG1 VAL 21 -10.669 -14.978 5.667 165 HG13 VAL 21 3HG1 VAL 21 -9.463 -15.575 6.809 166 HG21 VAL 21 1HG2 VAL 21 -8.952 -13.106 5.012 167 HG22 VAL 21 2HG2 VAL 21 -8.253 -12.154 6.322 168 HG23 VAL 21 3HG2 VAL 21 -7.865 -13.868 6.173 169 H ASP 22 H ASP 22 -11.331 -12.050 9.168 170 HA ASP 22 HA ASP 22 -14.071 -13.097 9.186 171 HB2 ASP 22 2HB ASP 22 -11.885 -13.902 11.115 172 HB3 ASP 22 3HB ASP 22 -13.592 -14.280 11.328 173 H ALA 23 H ALA 23 -14.919 -12.744 11.613 174 HA ALA 23 HA ALA 23 -15.069 -9.939 11.946 175 HB1 ALA 23 1HB ALA 23 -16.305 -10.521 14.051 176 HB2 ALA 23 2HB ALA 23 -16.947 -11.253 12.580 177 HB3 ALA 23 3HB ALA 23 -15.976 -12.216 13.694 178 H ALA 24 H ALA 24 -12.917 -12.326 13.180 179 HA ALA 24 HA ALA 24 -12.022 -10.697 15.407 180 HB1 ALA 24 1HB ALA 24 -10.261 -12.594 15.525 181 HB2 ALA 24 2HB ALA 24 -11.935 -12.944 15.957 182 HB3 ALA 24 3HB ALA 24 -11.316 -13.412 14.374 183 H THR 25 H THR 25 -10.981 -11.551 12.167 184 HA THR 25 HA THR 25 -8.343 -10.772 12.176 185 HB THR 25 HB THR 25 -10.370 -10.323 9.976 186 HG1 THR 25 HG1 THR 25 -8.445 -12.387 10.063 187 HG21 THR 25 1HG2 THR 25 -7.763 -10.774 8.966 188 HG22 THR 25 2HG2 THR 25 -7.645 -9.496 10.176 189 HG23 THR 25 3HG2 THR 25 -8.753 -9.324 8.816 190 H ALA 26 H ALA 26 -11.211 -8.722 11.791 191 HA ALA 26 HA ALA 26 -9.709 -6.309 11.468 192 HB1 ALA 26 1HB ALA 26 -12.021 -5.273 11.974 193 HB2 ALA 26 2HB ALA 26 -11.813 -6.210 10.495 194 HB3 ALA 26 3HB ALA 26 -12.606 -6.935 11.893 195 H GLU 27 H GLU 27 -10.914 -8.118 14.170 196 HA GLU 27 HA GLU 27 -10.744 -5.949 16.052 197 HB2 GLU 27 2HB GLU 27 -12.321 -7.604 16.618 198 HB3 GLU 27 3HB GLU 27 -11.191 -8.913 16.301 199 HG2 GLU 27 2HG GLU 27 -9.960 -8.436 18.279 200 HG3 GLU 27 3HG GLU 27 -10.853 -6.939 18.542 201 H LYS 28 H LYS 28 -8.667 -8.533 14.941 202 HA LYS 28 HA LYS 28 -6.722 -8.214 17.026 203 HB2 LYS 28 2HB LYS 28 -6.902 -9.791 14.495 204 HB3 LYS 28 3HB LYS 28 -5.323 -9.561 15.234 205 HG2 LYS 28 2HG LYS 28 -7.609 -10.557 16.878 206 HG3 LYS 28 3HG LYS 28 -6.728 -11.659 15.818 207 HD2 LYS 28 2HD LYS 28 -5.283 -9.884 17.758 208 HD3 LYS 28 3HD LYS 28 -5.958 -11.434 18.267 209 HE2 LYS 28 2HE LYS 28 -4.500 -12.647 16.960 210 HE3 LYS 28 3HE LYS 28 -4.243 -11.321 15.828 211 HZ1 LYS 28 1HZ LYS 28 -2.933 -11.871 18.375 212 HZ2 LYS 28 2HZ LYS 28 -3.205 -10.246 17.993 213 HZ3 LYS 28 3HZ LYS 28 -2.296 -11.219 16.950 214 H VAL 29 H VAL 29 -7.288 -6.838 13.884 215 HA VAL 29 HA VAL 29 -4.639 -5.676 13.698 216 HB VAL 29 HB VAL 29 -5.954 -6.439 11.687 217 HG11 VAL 29 1HG1 VAL 29 -7.653 -4.938 10.792 218 HG12 VAL 29 2HG1 VAL 29 -8.133 -5.556 12.374 219 HG13 VAL 29 3HG1 VAL 29 -7.513 -3.912 12.219 220 HG21 VAL 29 1HG2 VAL 29 -5.502 -4.030 10.549 221 HG22 VAL 29 2HG2 VAL 29 -4.560 -3.867 12.033 222 HG23 VAL 29 3HG2 VAL 29 -4.232 -5.198 10.922 223 H PHE 30 H PHE 30 -7.795 -4.786 14.816 224 HA PHE 30 HA PHE 30 -7.411 -1.960 14.741 225 HB2 PHE 30 2HB PHE 30 -9.482 -3.813 15.588 226 HB3 PHE 30 3HB PHE 30 -9.298 -2.483 16.727 227 HD1 PHE 30 HD1 PHE 30 -8.815 -0.152 15.269 228 HD2 PHE 30 HD2 PHE 30 -11.214 -3.480 14.136 229 HE1 PHE 30 HE1 PHE 30 -10.128 1.305 13.782 230 HE2 PHE 30 HE2 PHE 30 -12.529 -2.030 12.646 231 HZ PHE 30 HZ PHE 30 -11.987 0.366 12.467 232 H LYS 31 H LYS 31 -7.152 -4.414 17.290 233 HA LYS 31 HA LYS 31 -6.592 -2.788 19.453 234 HB2 LYS 31 2HB LYS 31 -5.258 -4.777 20.310 235 HB3 LYS 31 3HB LYS 31 -6.932 -5.089 19.872 236 HG2 LYS 31 2HG LYS 31 -6.338 -6.239 17.933 237 HG3 LYS 31 3HG LYS 31 -4.703 -5.570 17.929 238 HD2 LYS 31 2HD LYS 31 -4.611 -7.876 18.625 239 HD3 LYS 31 3HD LYS 31 -4.229 -6.841 20.004 240 HE2 LYS 31 2HE LYS 31 -6.304 -7.222 21.011 241 HE3 LYS 31 3HE LYS 31 -7.024 -7.813 19.515 242 HZ1 LYS 31 1HZ LYS 31 -4.766 -9.352 20.446 243 HZ2 LYS 31 2HZ LYS 31 -6.270 -9.874 19.877 244 HZ3 LYS 31 3HZ LYS 31 -6.100 -9.383 21.487 245 H GLN 32 H GLN 32 -4.445 -3.901 16.894 246 HA GLN 32 HA GLN 32 -2.063 -2.883 18.105 247 HB2 GLN 32 2HB GLN 32 -2.229 -4.741 16.364 248 HB3 GLN 32 3HB GLN 32 -2.450 -3.466 15.173 249 HG2 GLN 32 2HG GLN 32 -0.292 -2.714 15.373 250 HG3 GLN 32 3HG GLN 32 -0.109 -3.346 17.008 251 HE21 GLN 32 1HE2 GLN 32 0.008 -4.073 13.620 252 HE22 GLN 32 2HE2 GLN 32 0.772 -5.616 13.768 253 H TYR 33 H TYR 33 -4.536 -1.591 16.038 254 HA TYR 33 HA TYR 33 -2.998 0.695 15.199 255 HB2 TYR 33 2HB TYR 33 -5.798 -0.262 14.808 256 HB3 TYR 33 3HB TYR 33 -5.459 1.446 14.555 257 HD1 TYR 33 HD1 TYR 33 -3.315 -1.500 13.789 258 HD2 TYR 33 HD2 TYR 33 -5.617 1.727 12.243 259 HE1 TYR 33 HE1 TYR 33 -2.492 -2.004 11.527 260 HE2 TYR 33 HE2 TYR 33 -4.802 1.232 9.977 261 HH TYR 33 HH TYR 33 -3.816 -0.469 8.706 262 H PHE 34 H PHE 34 -5.450 -0.011 17.629 263 HA PHE 34 HA PHE 34 -6.054 2.568 18.465 264 HB2 PHE 34 2HB PHE 34 -6.103 -0.116 19.768 265 HB3 PHE 34 3HB PHE 34 -6.302 1.305 20.788 266 HD1 PHE 34 HD1 PHE 34 -8.012 -1.108 18.995 267 HD2 PHE 34 HD2 PHE 34 -8.032 3.082 19.751 268 HE1 PHE 34 HE1 PHE 34 -10.394 -1.013 18.387 269 HE2 PHE 34 HE2 PHE 34 -10.414 3.183 19.144 270 HZ PHE 34 HZ PHE 34 -11.599 1.135 18.461 271 H ASN 35 H ASN 35 -3.228 0.627 19.046 272 HA ASN 35 HA ASN 35 -2.213 2.054 21.270 273 HB2 ASN 35 2HB ASN 35 -1.486 -0.243 20.436 274 HB3 ASN 35 3HB ASN 35 -0.542 0.608 19.216 275 HD21 ASN 35 1HD2 ASN 35 1.408 -0.123 20.002 276 HD22 ASN 35 2HD2 ASN 35 2.082 0.436 21.492 277 H ASP 36 H ASP 36 -2.284 2.702 17.884 278 HA ASP 36 HA ASP 36 -0.086 4.522 17.806 279 HB2 ASP 36 2HB ASP 36 -1.087 3.321 15.818 280 HB3 ASP 36 3HB ASP 36 -2.440 4.443 15.914 281 H ASN 37 H ASN 37 -3.610 4.928 18.014 282 HA ASN 37 HA ASN 37 -3.372 7.792 18.305 283 HB2 ASN 37 2HB ASN 37 -5.891 6.261 18.868 284 HB3 ASN 37 3HB ASN 37 -5.701 7.868 18.174 285 HD21 ASN 37 1HD2 ASN 37 -4.520 7.882 16.031 286 HD22 ASN 37 2HD2 ASN 37 -4.968 6.654 14.901 287 H GLY 38 H GLY 38 -3.425 5.043 20.364 288 HA2 GLY 38 2HA GLY 38 -3.010 4.950 22.640 289 HA3 GLY 38 3HA GLY 38 -3.038 6.707 22.682 290 H LEU 39 H LEU 39 -5.730 5.177 21.209 291 HA LEU 39 HA LEU 39 -7.342 5.754 23.605 292 HB2 LEU 39 2HB LEU 39 -8.307 5.633 20.756 293 HB3 LEU 39 3HB LEU 39 -9.197 6.206 22.165 294 HG LEU 39 HG LEU 39 -6.695 7.605 21.312 295 HD11 LEU 39 1HD1 LEU 39 -8.505 7.226 19.423 296 HD12 LEU 39 2HD1 LEU 39 -7.679 8.771 19.621 297 HD13 LEU 39 3HD1 LEU 39 -9.306 8.553 20.264 298 HD21 LEU 39 1HD2 LEU 39 -7.798 9.512 22.332 299 HD22 LEU 39 2HD2 LEU 39 -7.750 8.156 23.462 300 HD23 LEU 39 3HD2 LEU 39 -9.248 8.548 22.616 301 H ASP 40 H ASP 40 -9.474 4.453 23.578 302 HA ASP 40 HA ASP 40 -9.253 1.789 22.467 303 HB2 ASP 40 2HB ASP 40 -9.673 0.832 24.846 304 HB3 ASP 40 3HB ASP 40 -8.027 1.251 24.376 305 H GLY 41 H GLY 41 -11.207 1.326 21.720 306 HA2 GLY 41 2HA GLY 41 -13.550 1.913 23.372 307 HA3 GLY 41 3HA GLY 41 -13.497 2.623 21.765 308 H GLU 42 H GLU 42 -15.384 1.464 21.188 309 HA GLU 42 HA GLU 42 -14.912 -1.409 20.730 310 HB2 GLU 42 2HB GLU 42 -17.511 0.022 21.302 311 HB3 GLU 42 3HB GLU 42 -17.401 -1.659 20.800 312 HG2 GLU 42 2HG GLU 42 -15.665 -1.339 22.997 313 HG3 GLU 42 3HG GLU 42 -17.184 -0.545 23.411 314 H TRP 43 H TRP 43 -15.746 -2.310 18.786 315 HA TRP 43 HA TRP 43 -16.395 -0.343 16.696 316 HB2 TRP 43 2HB TRP 43 -14.944 -1.411 15.133 317 HB3 TRP 43 3HB TRP 43 -14.001 -1.149 16.597 318 HD1 TRP 43 HD1 TRP 43 -13.772 -3.419 18.234 319 HE1 TRP 43 HE1 TRP 43 -13.444 -5.868 17.514 320 HE3 TRP 43 HE3 TRP 43 -15.400 -3.067 13.400 321 HZ2 TRP 43 HZ2 TRP 43 -13.826 -7.443 15.201 322 HZ3 TRP 43 HZ3 TRP 43 -15.387 -5.091 12.001 323 HH2 TRP 43 HH2 TRP 43 -14.615 -7.233 12.885 324 H THR 44 H THR 44 -18.055 -0.864 15.390 325 HA THR 44 HA THR 44 -19.512 -3.310 15.978 326 HB THR 44 HB THR 44 -21.337 -2.356 14.701 327 HG1 THR 44 HG1 THR 44 -19.648 -0.132 14.149 328 HG21 THR 44 1HG2 THR 44 -21.844 -1.230 16.554 329 HG22 THR 44 2HG2 THR 44 -20.898 0.135 15.960 330 HG23 THR 44 3HG2 THR 44 -20.137 -1.094 16.969 331 H TYR 45 H TYR 45 -20.601 -4.396 14.041 332 HA TYR 45 HA TYR 45 -18.794 -4.535 11.731 333 HB2 TYR 45 2HB TYR 45 -19.233 -7.084 11.814 334 HB3 TYR 45 3HB TYR 45 -18.041 -6.403 12.916 335 HD1 TYR 45 HD1 TYR 45 -21.236 -8.100 12.628 336 HD2 TYR 45 HD2 TYR 45 -18.593 -6.126 15.316 337 HE1 TYR 45 HE1 TYR 45 -22.441 -9.090 14.530 338 HE2 TYR 45 HE2 TYR 45 -19.789 -7.111 17.225 339 HH TYR 45 HH TYR 45 -21.971 -9.655 16.914 340 H ASP 46 H ASP 46 -20.094 -3.767 10.177 341 HA ASP 46 HA ASP 46 -22.807 -4.893 9.956 342 HB2 ASP 46 2HB ASP 46 -21.864 -2.379 8.589 343 HB3 ASP 46 3HB ASP 46 -23.517 -2.903 8.897 344 H ASP 47 H ASP 47 -22.253 -6.740 8.805 345 HA ASP 47 HA ASP 47 -20.623 -6.682 6.469 346 HB2 ASP 47 2HB ASP 47 -21.576 -8.662 8.112 347 HB3 ASP 47 3HB ASP 47 -22.554 -8.886 6.665 348 H ALA 48 H ALA 48 -23.959 -6.071 7.097 349 HA ALA 48 HA ALA 48 -25.178 -6.660 4.689 350 HB1 ALA 48 1HB ALA 48 -26.397 -4.315 5.406 351 HB2 ALA 48 2HB ALA 48 -26.809 -5.915 6.024 352 HB3 ALA 48 3HB ALA 48 -25.713 -4.874 6.934 353 H THR 49 H THR 49 -23.078 -3.978 5.509 354 HA THR 49 HA THR 49 -23.164 -3.128 2.690 355 HB THR 49 HB THR 49 -24.278 -1.391 3.885 356 HG1 THR 49 HG1 THR 49 -23.017 0.248 3.218 357 HG21 THR 49 1HG2 THR 49 -22.516 -2.141 6.007 358 HG22 THR 49 2HG2 THR 49 -23.932 -1.091 6.065 359 HG23 THR 49 3HG2 THR 49 -22.345 -0.413 5.703 360 H LYS 50 H LYS 50 -21.329 -4.468 5.065 361 HA LYS 50 HA LYS 50 -19.108 -4.892 5.307 362 HB2 LYS 50 2HB LYS 50 -18.825 -3.663 2.560 363 HB3 LYS 50 3HB LYS 50 -17.676 -4.731 3.356 364 HG2 LYS 50 2HG LYS 50 -18.691 -6.263 2.045 365 HG3 LYS 50 3HG LYS 50 -19.811 -6.323 3.408 366 HD2 LYS 50 2HD LYS 50 -21.429 -5.087 2.295 367 HD3 LYS 50 3HD LYS 50 -20.262 -4.384 1.173 368 HE2 LYS 50 2HE LYS 50 -20.488 -7.308 1.046 369 HE3 LYS 50 3HE LYS 50 -21.948 -6.436 0.583 370 HZ1 LYS 50 1HZ LYS 50 -19.327 -6.493 -0.710 371 HZ2 LYS 50 2HZ LYS 50 -20.205 -5.051 -0.792 372 HZ3 LYS 50 3HZ LYS 50 -20.871 -6.482 -1.401 373 H THR 51 H THR 51 -19.927 -2.676 6.598 374 HA THR 51 HA THR 51 -17.538 -1.008 6.506 375 HB THR 51 HB THR 51 -20.336 0.093 6.240 376 HG1 THR 51 HG1 THR 51 -19.526 -0.120 4.241 377 HG21 THR 51 1HG2 THR 51 -19.563 1.625 7.746 378 HG22 THR 51 2HG2 THR 51 -18.858 2.309 6.281 379 HG23 THR 51 3HG2 THR 51 -17.871 1.317 7.354 380 H PHE 52 H PHE 52 -16.937 -0.200 8.475 381 HA PHE 52 HA PHE 52 -18.639 -0.962 10.755 382 HB2 PHE 52 2HB PHE 52 -15.656 -0.535 10.872 383 HB3 PHE 52 3HB PHE 52 -16.685 -1.341 12.051 384 HD1 PHE 52 HD1 PHE 52 -18.277 -3.069 10.215 385 HD2 PHE 52 HD2 PHE 52 -14.111 -2.201 10.342 386 HE1 PHE 52 HE1 PHE 52 -17.796 -5.236 9.153 387 HE2 PHE 52 HE2 PHE 52 -13.624 -4.366 9.279 388 HZ PHE 52 HZ PHE 52 -15.468 -5.886 8.683 389 H THR 53 H THR 53 -18.937 0.479 12.442 390 HA THR 53 HA THR 53 -18.080 3.248 11.899 391 HB THR 53 HB THR 53 -20.428 3.227 11.628 392 HG1 THR 53 HG1 THR 53 -20.319 4.959 12.850 393 HG21 THR 53 1HG2 THR 53 -21.978 2.240 13.237 394 HG22 THR 53 2HG2 THR 53 -20.622 1.706 14.232 395 HG23 THR 53 3HG2 THR 53 -20.859 1.024 12.623 396 H VAL 54 H VAL 54 -16.944 4.263 13.429 397 HA VAL 54 HA VAL 54 -17.007 3.219 16.175 398 HB VAL 54 HB VAL 54 -14.498 3.918 14.642 399 HG11 VAL 54 1HG1 VAL 54 -13.823 4.555 16.703 400 HG12 VAL 54 2HG1 VAL 54 -15.071 3.613 17.523 401 HG13 VAL 54 3HG1 VAL 54 -13.613 2.818 16.927 402 HG21 VAL 54 1HG2 VAL 54 -15.734 1.640 14.335 403 HG22 VAL 54 2HG2 VAL 54 -13.985 1.671 14.559 404 HG23 VAL 54 3HG2 VAL 54 -15.041 1.271 15.914 405 H THR 55 H THR 55 -16.735 4.730 17.793 406 HA THR 55 HA THR 55 -16.136 7.490 17.091 407 HB THR 55 HB THR 55 -18.682 6.914 18.596 408 HG1 THR 55 HG1 THR 55 -19.700 6.678 16.751 409 HG21 THR 55 1HG2 THR 55 -19.097 9.294 17.577 410 HG22 THR 55 2HG2 THR 55 -17.338 9.328 17.459 411 HG23 THR 55 3HG2 THR 55 -18.114 9.108 19.028 412 H GLU 56 H GLU 56 -15.282 8.660 18.763 413 HA GLU 56 HA GLU 56 -14.904 7.197 21.288 414 HB2 GLU 56 2HB GLU 56 -12.915 7.909 19.763 415 HB3 GLU 56 3HB GLU 56 -13.200 9.511 20.431 416 HG2 GLU 56 2HG GLU 56 -11.444 8.269 21.620 417 HG3 GLU 56 3HG GLU 56 -12.797 8.714 22.659 Start of MODEL 7 1 H1 MET 1 H MET 1 -10.650 -10.838 3.069 2 HA MET 1 HA MET 1 -12.963 -10.248 1.357 3 HB2 MET 1 2HB MET 1 -13.363 -11.578 3.623 4 HB3 MET 1 3HB MET 1 -13.276 -9.960 4.307 5 HG2 MET 1 2HG MET 1 -15.557 -10.422 3.909 6 HG3 MET 1 3HG MET 1 -15.042 -9.272 2.676 7 HE1 MET 1 1HE MET 1 -17.448 -10.185 1.092 8 HE2 MET 1 2HE MET 1 -15.961 -9.323 0.696 9 HE3 MET 1 3HE MET 1 -16.486 -10.680 -0.301 10 H THR 2 H THR 2 -13.809 -8.072 1.619 11 HA THR 2 HA THR 2 -11.745 -6.192 2.568 12 HB THR 2 HB THR 2 -13.680 -5.876 0.267 13 HG1 THR 2 HG1 THR 2 -11.535 -7.105 0.152 14 HG21 THR 2 1HG2 THR 2 -13.435 -3.753 1.425 15 HG22 THR 2 2HG2 THR 2 -12.566 -3.706 -0.109 16 HG23 THR 2 3HG2 THR 2 -11.680 -3.918 1.399 17 H PHE 3 H PHE 3 -12.367 -4.409 3.746 18 HA PHE 3 HA PHE 3 -15.199 -3.968 4.269 19 HB2 PHE 3 2HB PHE 3 -13.192 -4.783 6.363 20 HB3 PHE 3 3HB PHE 3 -14.648 -3.882 6.776 21 HD1 PHE 3 HD1 PHE 3 -13.248 -7.096 6.121 22 HD2 PHE 3 HD2 PHE 3 -16.892 -4.897 6.147 23 HE1 PHE 3 HE1 PHE 3 -14.514 -9.203 6.218 24 HE2 PHE 3 HE2 PHE 3 -18.164 -7.001 6.245 25 HZ PHE 3 HZ PHE 3 -16.976 -9.158 6.280 26 H LYS 4 H LYS 4 -15.454 -2.025 5.796 27 HA LYS 4 HA LYS 4 -13.272 -0.095 5.501 28 HB2 LYS 4 2HB LYS 4 -14.496 0.526 3.615 29 HB3 LYS 4 3HB LYS 4 -16.040 0.164 4.377 30 HG2 LYS 4 2HG LYS 4 -15.945 2.135 5.699 31 HG3 LYS 4 3HG LYS 4 -14.269 2.438 5.232 32 HD2 LYS 4 2HD LYS 4 -16.128 2.206 2.978 33 HD3 LYS 4 3HD LYS 4 -16.456 3.568 4.052 34 HE2 LYS 4 2HE LYS 4 -13.757 3.733 3.789 35 HE3 LYS 4 3HE LYS 4 -14.216 3.105 2.207 36 HZ1 LYS 4 1HZ LYS 4 -14.265 5.710 2.934 37 HZ2 LYS 4 2HZ LYS 4 -15.886 5.262 3.113 38 HZ3 LYS 4 3HZ LYS 4 -15.109 5.047 1.625 39 H ALA 5 H ALA 5 -12.849 0.357 7.570 40 HA ALA 5 HA ALA 5 -15.071 0.693 9.451 41 HB1 ALA 5 1HB ALA 5 -12.812 -0.706 9.777 42 HB2 ALA 5 2HB ALA 5 -12.280 0.851 10.413 43 HB3 ALA 5 3HB ALA 5 -13.682 0.042 11.115 44 H ILE 6 H ILE 6 -15.779 2.667 9.883 45 HA ILE 6 HA ILE 6 -14.137 4.976 9.189 46 HB ILE 6 HB ILE 6 -17.043 4.694 9.929 47 HG12 ILE 6 2HG1 ILE 6 -17.172 5.881 7.618 48 HG13 ILE 6 3HG1 ILE 6 -15.502 5.354 7.435 49 HG21 ILE 6 1HG2 ILE 6 -16.597 6.717 10.942 50 HG22 ILE 6 2HG2 ILE 6 -15.332 7.136 9.788 51 HG23 ILE 6 3HG2 ILE 6 -17.026 7.223 9.309 52 HD11 ILE 6 1HD1 ILE 6 -17.684 3.425 8.129 53 HD12 ILE 6 2HD1 ILE 6 -17.338 3.880 6.461 54 HD13 ILE 6 3HD1 ILE 6 -16.094 3.101 7.438 55 H ILE 7 H ILE 7 -13.407 6.478 10.626 56 HA ILE 7 HA ILE 7 -13.948 5.980 13.479 57 HB ILE 7 HB ILE 7 -11.487 7.079 13.594 58 HG12 ILE 7 2HG1 ILE 7 -11.189 5.153 11.313 59 HG13 ILE 7 3HG1 ILE 7 -11.520 6.851 10.992 60 HG21 ILE 7 1HG2 ILE 7 -12.161 4.154 13.316 61 HG22 ILE 7 2HG2 ILE 7 -10.650 4.782 13.973 62 HG23 ILE 7 3HG2 ILE 7 -12.173 5.107 14.800 63 HD11 ILE 7 1HD1 ILE 7 -9.094 5.575 12.137 64 HD12 ILE 7 2HD1 ILE 7 -9.241 6.824 10.901 65 HD13 ILE 7 3HD1 ILE 7 -9.492 7.230 12.598 66 H ASN 8 H ASN 8 -14.387 7.726 14.718 67 HA ASN 8 HA ASN 8 -13.770 10.401 13.781 68 HB2 ASN 8 2HB ASN 8 -16.484 9.235 13.699 69 HB3 ASN 8 3HB ASN 8 -16.372 10.835 14.426 70 HD21 ASN 8 1HD2 ASN 8 -17.288 9.546 11.744 71 HD22 ASN 8 2HD2 ASN 8 -16.674 10.654 10.570 72 H GLY 9 H GLY 9 -12.943 11.400 15.487 73 HA2 GLY 9 2HA GLY 9 -13.847 10.596 18.170 74 HA3 GLY 9 3HA GLY 9 -12.318 11.381 17.801 75 H LYS 10 H LYS 10 -13.221 12.649 19.726 76 HA LYS 10 HA LYS 10 -15.371 14.372 19.583 77 HB2 LYS 10 2HB LYS 10 -13.627 13.920 21.485 78 HB3 LYS 10 3HB LYS 10 -12.795 15.307 20.796 79 HG2 LYS 10 2HG LYS 10 -14.965 16.575 21.053 80 HG3 LYS 10 3HG LYS 10 -15.537 15.211 22.016 81 HD2 LYS 10 2HD LYS 10 -13.037 16.792 22.604 82 HD3 LYS 10 3HD LYS 10 -14.600 17.069 23.375 83 HE2 LYS 10 2HE LYS 10 -14.551 14.687 24.137 84 HE3 LYS 10 3HE LYS 10 -12.903 14.582 23.518 85 HZ1 LYS 10 1HZ LYS 10 -12.600 15.090 25.735 86 HZ2 LYS 10 2HZ LYS 10 -13.925 16.139 25.801 87 HZ3 LYS 10 3HZ LYS 10 -12.505 16.619 25.015 88 H THR 11 H THR 11 -12.022 15.012 18.559 89 HA THR 11 HA THR 11 -13.050 16.978 16.646 90 HB THR 11 HB THR 11 -10.586 17.631 18.238 91 HG1 THR 11 HG1 THR 11 -12.461 17.368 19.651 92 HG21 THR 11 1HG2 THR 11 -10.565 19.254 16.693 93 HG22 THR 11 2HG2 THR 11 -11.929 19.946 17.573 94 HG23 THR 11 3HG2 THR 11 -12.215 18.901 16.181 95 H LEU 12 H LEU 12 -11.939 14.238 16.482 96 HA LEU 12 HA LEU 12 -9.645 14.831 14.732 97 HB2 LEU 12 2HB LEU 12 -8.536 12.912 15.398 98 HB3 LEU 12 3HB LEU 12 -9.208 13.534 16.904 99 HG LEU 12 HG LEU 12 -11.167 11.839 16.238 100 HD11 LEU 12 1HD1 LEU 12 -10.640 10.444 14.601 101 HD12 LEU 12 2HD1 LEU 12 -9.277 9.863 15.556 102 HD13 LEU 12 3HD1 LEU 12 -9.055 11.200 14.428 103 HD21 LEU 12 1HD2 LEU 12 -8.803 10.541 17.454 104 HD22 LEU 12 2HD2 LEU 12 -10.469 10.632 18.025 105 HD23 LEU 12 3HD2 LEU 12 -9.390 12.015 18.224 106 H LYS 13 H LYS 13 -9.753 14.110 12.687 107 HA LYS 13 HA LYS 13 -12.220 12.933 11.775 108 HB2 LYS 13 2HB LYS 13 -9.753 13.994 10.445 109 HB3 LYS 13 3HB LYS 13 -10.882 13.008 9.527 110 HG2 LYS 13 2HG LYS 13 -11.697 15.081 9.064 111 HG3 LYS 13 3HG LYS 13 -12.642 14.701 10.505 112 HD2 LYS 13 2HD LYS 13 -11.893 16.812 11.023 113 HD3 LYS 13 3HD LYS 13 -10.619 15.825 11.745 114 HE2 LYS 13 2HE LYS 13 -9.444 16.083 9.462 115 HE3 LYS 13 3HE LYS 13 -10.569 17.416 9.204 116 HZ1 LYS 13 1HZ LYS 13 -9.699 18.107 11.562 117 HZ2 LYS 13 2HZ LYS 13 -8.843 18.516 10.163 118 HZ3 LYS 13 3HZ LYS 13 -8.350 17.198 11.100 119 H GLY 14 H GLY 14 -12.053 11.126 10.080 120 HA2 GLY 14 2HA GLY 14 -9.951 9.255 10.160 121 HA3 GLY 14 3HA GLY 14 -11.165 8.786 11.341 122 H GLU 15 H GLU 15 -10.168 7.888 8.504 123 HA GLU 15 HA GLU 15 -12.534 6.603 7.736 124 HB2 GLU 15 2HB GLU 15 -12.851 7.833 5.525 125 HB3 GLU 15 3HB GLU 15 -13.439 8.641 6.972 126 HG2 GLU 15 2HG GLU 15 -11.889 10.292 6.855 127 HG3 GLU 15 3HG GLU 15 -10.678 9.256 6.104 128 H THR 16 H THR 16 -11.680 4.784 7.003 129 HA THR 16 HA THR 16 -10.028 4.703 4.692 130 HB THR 16 HB THR 16 -8.246 5.319 6.212 131 HG1 THR 16 HG1 THR 16 -6.915 3.477 5.865 132 HG21 THR 16 1HG2 THR 16 -9.403 4.483 8.278 133 HG22 THR 16 2HG2 THR 16 -7.689 4.081 8.180 134 HG23 THR 16 3HG2 THR 16 -8.904 2.855 7.822 135 H THR 17 H THR 17 -9.606 2.538 3.966 136 HA THR 17 HA THR 17 -11.434 0.582 5.187 137 HB THR 17 HB THR 17 -11.625 -0.487 3.050 138 HG1 THR 17 HG1 THR 17 -9.751 1.403 2.033 139 HG21 THR 17 1HG2 THR 17 -12.835 1.122 1.895 140 HG22 THR 17 2HG2 THR 17 -11.702 2.411 2.297 141 HG23 THR 17 3HG2 THR 17 -12.798 1.784 3.528 142 H THR 18 H THR 18 -10.740 -1.762 4.679 143 HA THR 18 HA THR 18 -7.927 -2.288 4.531 144 HB THR 18 HB THR 18 -8.019 -1.573 6.863 145 HG1 THR 18 HG1 THR 18 -6.822 -3.238 7.514 146 HG21 THR 18 1HG2 THR 18 -9.559 -2.248 8.389 147 HG22 THR 18 2HG2 THR 18 -9.691 -3.866 7.698 148 HG23 THR 18 3HG2 THR 18 -10.534 -2.512 6.944 149 H GLU 19 H GLU 19 -7.440 -4.552 4.471 150 HA GLU 19 HA GLU 19 -9.735 -6.140 3.609 151 HB2 GLU 19 2HB GLU 19 -7.941 -6.123 2.037 152 HB3 GLU 19 3HB GLU 19 -6.758 -6.493 3.283 153 HG2 GLU 19 2HG GLU 19 -8.770 -8.536 3.197 154 HG3 GLU 19 3HG GLU 19 -8.083 -8.282 1.593 155 H ALA 20 H ALA 20 -10.584 -7.705 4.810 156 HA ALA 20 HA ALA 20 -8.955 -8.911 6.939 157 HB1 ALA 20 1HB ALA 20 -10.232 -7.427 8.197 158 HB2 ALA 20 2HB ALA 20 -11.668 -7.667 7.201 159 HB3 ALA 20 3HB ALA 20 -11.137 -8.937 8.303 160 H VAL 21 H VAL 21 -9.915 -10.962 7.766 161 HA VAL 21 HA VAL 21 -11.093 -12.461 5.531 162 HB VAL 21 HB VAL 21 -9.599 -13.482 7.951 163 HG11 VAL 21 1HG1 VAL 21 -9.611 -15.641 6.719 164 HG12 VAL 21 2HG1 VAL 21 -11.212 -15.117 7.245 165 HG13 VAL 21 3HG1 VAL 21 -10.730 -14.927 5.559 166 HG21 VAL 21 1HG2 VAL 21 -8.748 -13.355 5.060 167 HG22 VAL 21 2HG2 VAL 21 -8.192 -12.266 6.331 168 HG23 VAL 21 3HG2 VAL 21 -7.799 -13.984 6.407 169 H ASP 22 H ASP 22 -11.337 -12.037 9.046 170 HA ASP 22 HA ASP 22 -14.158 -12.824 8.869 171 HB2 ASP 22 2HB ASP 22 -12.230 -13.785 10.994 172 HB3 ASP 22 3HB ASP 22 -13.962 -14.101 10.963 173 H ALA 23 H ALA 23 -15.109 -12.424 11.265 174 HA ALA 23 HA ALA 23 -15.061 -9.615 11.604 175 HB1 ALA 23 1HB ALA 23 -16.263 -11.841 13.228 176 HB2 ALA 23 2HB ALA 23 -16.428 -10.141 13.673 177 HB3 ALA 23 3HB ALA 23 -17.075 -10.718 12.136 178 H ALA 24 H ALA 24 -13.162 -12.160 12.923 179 HA ALA 24 HA ALA 24 -12.280 -10.628 15.223 180 HB1 ALA 24 1HB ALA 24 -11.669 -13.365 14.169 181 HB2 ALA 24 2HB ALA 24 -10.673 -12.635 15.429 182 HB3 ALA 24 3HB ALA 24 -12.394 -12.898 15.708 183 H THR 25 H THR 25 -11.135 -11.483 12.022 184 HA THR 25 HA THR 25 -8.451 -10.893 12.187 185 HB THR 25 HB THR 25 -10.321 -10.273 9.894 186 HG1 THR 25 HG1 THR 25 -10.062 -12.525 10.677 187 HG21 THR 25 1HG2 THR 25 -7.558 -9.638 10.254 188 HG22 THR 25 2HG2 THR 25 -8.585 -9.354 8.847 189 HG23 THR 25 3HG2 THR 25 -7.705 -10.874 9.005 190 H ALA 26 H ALA 26 -11.159 -8.653 11.760 191 HA ALA 26 HA ALA 26 -9.462 -6.342 11.570 192 HB1 ALA 26 1HB ALA 26 -11.992 -5.422 12.189 193 HB2 ALA 26 2HB ALA 26 -11.329 -5.650 10.570 194 HB3 ALA 26 3HB ALA 26 -12.294 -6.925 11.314 195 H GLU 27 H GLU 27 -10.973 -8.131 14.117 196 HA GLU 27 HA GLU 27 -10.858 -6.021 16.064 197 HB2 GLU 27 2HB GLU 27 -12.539 -7.643 16.436 198 HB3 GLU 27 3HB GLU 27 -11.413 -8.976 16.221 199 HG2 GLU 27 2HG GLU 27 -10.338 -8.477 18.309 200 HG3 GLU 27 3HG GLU 27 -11.316 -7.024 18.508 201 H LYS 28 H LYS 28 -8.818 -8.689 15.073 202 HA LYS 28 HA LYS 28 -6.996 -8.369 17.293 203 HB2 LYS 28 2HB LYS 28 -6.867 -10.047 14.785 204 HB3 LYS 28 3HB LYS 28 -5.625 -10.055 16.030 205 HG2 LYS 28 2HG LYS 28 -7.723 -10.566 17.575 206 HG3 LYS 28 3HG LYS 28 -8.350 -11.209 16.056 207 HD2 LYS 28 2HD LYS 28 -6.506 -12.716 15.851 208 HD3 LYS 28 3HD LYS 28 -5.665 -11.956 17.204 209 HE2 LYS 28 2HE LYS 28 -6.602 -13.946 18.059 210 HE3 LYS 28 3HE LYS 28 -7.635 -12.639 18.637 211 HZ1 LYS 28 1HZ LYS 28 -8.400 -13.848 16.108 212 HZ2 LYS 28 2HZ LYS 28 -9.364 -13.340 17.401 213 HZ3 LYS 28 3HZ LYS 28 -8.570 -14.832 17.474 214 H VAL 29 H VAL 29 -7.341 -7.165 14.070 215 HA VAL 29 HA VAL 29 -4.592 -6.266 13.879 216 HB VAL 29 HB VAL 29 -6.088 -7.008 11.914 217 HG11 VAL 29 1HG1 VAL 29 -7.674 -5.612 11.061 218 HG12 VAL 29 2HG1 VAL 29 -7.823 -5.192 12.769 219 HG13 VAL 29 3HG1 VAL 29 -6.890 -4.160 11.685 220 HG21 VAL 29 1HG2 VAL 29 -4.643 -4.386 11.593 221 HG22 VAL 29 2HG2 VAL 29 -3.818 -5.933 11.792 222 HG23 VAL 29 3HG2 VAL 29 -4.854 -5.658 10.391 223 H PHE 30 H PHE 30 -7.634 -5.050 14.958 224 HA PHE 30 HA PHE 30 -7.017 -2.272 14.704 225 HB2 PHE 30 2HB PHE 30 -9.232 -3.891 15.680 226 HB3 PHE 30 3HB PHE 30 -8.935 -2.490 16.705 227 HD1 PHE 30 HD1 PHE 30 -8.191 -0.383 14.955 228 HD2 PHE 30 HD2 PHE 30 -11.021 -3.496 14.305 229 HE1 PHE 30 HE1 PHE 30 -9.389 1.046 13.349 230 HE2 PHE 30 HE2 PHE 30 -12.223 -2.072 12.698 231 HZ PHE 30 HZ PHE 30 -11.407 0.201 12.217 232 H LYS 31 H LYS 31 -6.398 -4.730 17.070 233 HA LYS 31 HA LYS 31 -6.000 -3.228 19.370 234 HB2 LYS 31 2HB LYS 31 -4.744 -5.052 20.210 235 HB3 LYS 31 3HB LYS 31 -5.940 -5.752 19.127 236 HG2 LYS 31 2HG LYS 31 -4.148 -6.894 18.380 237 HG3 LYS 31 3HG LYS 31 -3.923 -5.446 17.398 238 HD2 LYS 31 2HD LYS 31 -1.820 -5.704 18.298 239 HD3 LYS 31 3HD LYS 31 -2.561 -4.615 19.474 240 HE2 LYS 31 2HE LYS 31 -3.265 -6.940 20.570 241 HE3 LYS 31 3HE LYS 31 -1.811 -7.473 19.727 242 HZ1 LYS 31 1HZ LYS 31 -1.385 -5.022 21.115 243 HZ2 LYS 31 2HZ LYS 31 -0.534 -6.479 21.227 244 HZ3 LYS 31 3HZ LYS 31 -1.919 -6.233 22.167 245 H GLN 32 H GLN 32 -4.064 -3.457 16.504 246 HA GLN 32 HA GLN 32 -1.748 -2.230 17.749 247 HB2 GLN 32 2HB GLN 32 -2.275 -2.921 14.854 248 HB3 GLN 32 3HB GLN 32 -0.737 -2.382 15.514 249 HG2 GLN 32 2HG GLN 32 -2.115 -4.858 16.498 250 HG3 GLN 32 3HG GLN 32 -1.028 -4.871 15.110 251 HE21 GLN 32 1HE2 GLN 32 0.678 -5.953 15.874 252 HE22 GLN 32 2HE2 GLN 32 1.604 -5.492 17.256 253 H TYR 33 H TYR 33 -4.524 -1.306 15.893 254 HA TYR 33 HA TYR 33 -3.472 1.260 15.111 255 HB2 TYR 33 2HB TYR 33 -6.105 -0.136 14.842 256 HB3 TYR 33 3HB TYR 33 -6.032 1.607 14.606 257 HD1 TYR 33 HD1 TYR 33 -3.983 -1.352 13.569 258 HD2 TYR 33 HD2 TYR 33 -5.915 2.256 12.405 259 HE1 TYR 33 HE1 TYR 33 -3.231 -1.703 11.254 260 HE2 TYR 33 HE2 TYR 33 -5.169 1.914 10.086 261 HH TYR 33 HH TYR 33 -3.019 0.500 9.036 262 H PHE 34 H PHE 34 -5.707 0.031 17.561 263 HA PHE 34 HA PHE 34 -6.634 2.434 18.593 264 HB2 PHE 34 2HB PHE 34 -6.172 -0.268 19.824 265 HB3 PHE 34 3HB PHE 34 -6.753 1.075 20.802 266 HD1 PHE 34 HD1 PHE 34 -7.878 -1.731 19.387 267 HD2 PHE 34 HD2 PHE 34 -8.653 2.451 19.210 268 HE1 PHE 34 HE1 PHE 34 -10.178 -2.192 18.643 269 HE2 PHE 34 HE2 PHE 34 -10.954 1.996 18.467 270 HZ PHE 34 HZ PHE 34 -11.719 -0.328 18.183 271 H ASN 35 H ASN 35 -3.545 0.883 18.977 272 HA ASN 35 HA ASN 35 -2.660 2.263 21.273 273 HB2 ASN 35 2HB ASN 35 -1.619 0.197 20.213 274 HB3 ASN 35 3HB ASN 35 -0.887 1.283 19.036 275 HD21 ASN 35 1HD2 ASN 35 0.848 2.495 19.604 276 HD22 ASN 35 2HD2 ASN 35 1.639 2.383 21.136 277 H ASP 36 H ASP 36 -2.920 3.169 17.943 278 HA ASP 36 HA ASP 36 -1.035 5.201 17.752 279 HB2 ASP 36 2HB ASP 36 -2.450 4.297 15.882 280 HB3 ASP 36 3HB ASP 36 -3.791 5.249 16.513 281 H ASN 37 H ASN 37 -4.398 5.374 18.885 282 HA ASN 37 HA ASN 37 -3.949 8.126 19.772 283 HB2 ASN 37 2HB ASN 37 -5.991 7.779 18.524 284 HB3 ASN 37 3HB ASN 37 -6.467 6.460 19.589 285 HD21 ASN 37 1HD2 ASN 37 -6.095 9.905 19.278 286 HD22 ASN 37 2HD2 ASN 37 -7.053 10.333 20.650 287 H GLY 38 H GLY 38 -4.149 4.915 20.974 288 HA2 GLY 38 2HA GLY 38 -3.593 4.175 23.106 289 HA3 GLY 38 3HA GLY 38 -3.566 5.846 23.649 290 H LEU 39 H LEU 39 -6.338 4.675 21.939 291 HA LEU 39 HA LEU 39 -7.819 4.509 24.481 292 HB2 LEU 39 2HB LEU 39 -8.379 6.026 22.002 293 HB3 LEU 39 3HB LEU 39 -9.754 5.265 22.799 294 HG LEU 39 HG LEU 39 -9.392 7.658 23.400 295 HD11 LEU 39 1HD1 LEU 39 -9.011 5.941 25.823 296 HD12 LEU 39 2HD1 LEU 39 -10.486 5.846 24.861 297 HD13 LEU 39 3HD1 LEU 39 -10.024 7.371 25.618 298 HD21 LEU 39 1HD2 LEU 39 -6.778 7.097 23.496 299 HD22 LEU 39 2HD2 LEU 39 -7.173 6.907 25.204 300 HD23 LEU 39 3HD2 LEU 39 -7.508 8.434 24.386 301 H ASP 40 H ASP 40 -8.896 2.677 24.800 302 HA ASP 40 HA ASP 40 -8.994 0.709 22.663 303 HB2 ASP 40 2HB ASP 40 -9.421 0.629 25.630 304 HB3 ASP 40 3HB ASP 40 -10.016 -0.688 24.622 305 H GLY 41 H GLY 41 -10.591 2.326 21.614 306 HA2 GLY 41 2HA GLY 41 -13.246 2.465 22.625 307 HA3 GLY 41 3HA GLY 41 -12.739 2.860 20.989 308 H GLU 42 H GLU 42 -15.035 1.801 20.867 309 HA GLU 42 HA GLU 42 -14.673 -1.092 20.441 310 HB2 GLU 42 2HB GLU 42 -17.200 0.444 21.074 311 HB3 GLU 42 3HB GLU 42 -17.139 -1.272 20.698 312 HG2 GLU 42 2HG GLU 42 -15.294 -0.955 22.741 313 HG3 GLU 42 3HG GLU 42 -16.636 0.095 23.191 314 H TRP 43 H TRP 43 -15.541 -2.029 18.564 315 HA TRP 43 HA TRP 43 -16.343 -0.136 16.457 316 HB2 TRP 43 2HB TRP 43 -14.948 -1.200 14.852 317 HB3 TRP 43 3HB TRP 43 -13.937 -0.916 16.266 318 HD1 TRP 43 HD1 TRP 43 -13.592 -3.164 17.906 319 HE1 TRP 43 HE1 TRP 43 -13.287 -5.620 17.197 320 HE3 TRP 43 HE3 TRP 43 -15.496 -2.884 13.170 321 HZ2 TRP 43 HZ2 TRP 43 -13.786 -7.224 14.930 322 HZ3 TRP 43 HZ3 TRP 43 -15.546 -4.924 11.797 323 HH2 TRP 43 HH2 TRP 43 -14.708 -7.049 12.659 324 H THR 44 H THR 44 -18.047 -0.736 15.239 325 HA THR 44 HA THR 44 -19.430 -3.182 15.984 326 HB THR 44 HB THR 44 -20.437 -1.178 13.980 327 HG1 THR 44 HG1 THR 44 -21.512 -0.364 16.066 328 HG21 THR 44 1HG2 THR 44 -22.616 -1.890 15.157 329 HG22 THR 44 2HG2 THR 44 -21.661 -3.225 15.804 330 HG23 THR 44 3HG2 THR 44 -21.851 -3.039 14.061 331 H TYR 45 H TYR 45 -20.401 -4.559 14.312 332 HA TYR 45 HA TYR 45 -18.714 -4.723 11.900 333 HB2 TYR 45 2HB TYR 45 -19.263 -7.257 12.093 334 HB3 TYR 45 3HB TYR 45 -18.012 -6.574 13.127 335 HD1 TYR 45 HD1 TYR 45 -21.290 -8.134 13.013 336 HD2 TYR 45 HD2 TYR 45 -18.467 -6.179 15.525 337 HE1 TYR 45 HE1 TYR 45 -22.474 -8.984 14.994 338 HE2 TYR 45 HE2 TYR 45 -19.643 -7.024 17.513 339 HH TYR 45 HH TYR 45 -21.879 -7.823 18.128 340 H ASP 46 H ASP 46 -20.066 -3.837 10.420 341 HA ASP 46 HA ASP 46 -22.775 -4.965 10.196 342 HB2 ASP 46 2HB ASP 46 -21.856 -2.476 8.783 343 HB3 ASP 46 3HB ASP 46 -23.496 -2.965 9.202 344 H ASP 47 H ASP 47 -22.263 -6.812 9.031 345 HA ASP 47 HA ASP 47 -20.660 -6.736 6.664 346 HB2 ASP 47 2HB ASP 47 -21.533 -8.729 8.341 347 HB3 ASP 47 3HB ASP 47 -22.532 -8.983 6.913 348 H ALA 48 H ALA 48 -23.998 -6.215 7.379 349 HA ALA 48 HA ALA 48 -25.221 -6.825 4.960 350 HB1 ALA 48 1HB ALA 48 -26.950 -6.170 6.186 351 HB2 ALA 48 2HB ALA 48 -25.885 -5.350 7.329 352 HB3 ALA 48 3HB ALA 48 -26.470 -4.497 5.901 353 H THR 49 H THR 49 -23.203 -4.120 5.838 354 HA THR 49 HA THR 49 -23.454 -3.103 3.084 355 HB THR 49 HB THR 49 -23.408 -0.869 3.768 356 HG1 THR 49 HG1 THR 49 -22.879 -1.589 6.461 357 HG21 THR 49 1HG2 THR 49 -25.013 -2.311 5.882 358 HG22 THR 49 2HG2 THR 49 -25.570 -1.903 4.259 359 HG23 THR 49 3HG2 THR 49 -25.207 -0.622 5.414 360 H LYS 50 H LYS 50 -21.467 -4.523 5.291 361 HA LYS 50 HA LYS 50 -19.225 -4.883 5.418 362 HB2 LYS 50 2HB LYS 50 -19.167 -3.584 2.688 363 HB3 LYS 50 3HB LYS 50 -17.895 -4.573 3.392 364 HG2 LYS 50 2HG LYS 50 -18.870 -6.180 2.153 365 HG3 LYS 50 3HG LYS 50 -19.931 -6.303 3.558 366 HD2 LYS 50 2HD LYS 50 -21.617 -5.009 2.512 367 HD3 LYS 50 3HD LYS 50 -20.524 -4.498 1.223 368 HE2 LYS 50 2HE LYS 50 -21.052 -6.278 0.001 369 HE3 LYS 50 3HE LYS 50 -20.659 -7.365 1.332 370 HZ1 LYS 50 1HZ LYS 50 -22.979 -7.547 0.559 371 HZ2 LYS 50 2HZ LYS 50 -23.251 -5.949 1.039 372 HZ3 LYS 50 3HZ LYS 50 -22.864 -7.123 2.192 373 H THR 51 H THR 51 -20.016 -2.741 6.831 374 HA THR 51 HA THR 51 -17.685 -1.000 6.654 375 HB THR 51 HB THR 51 -20.525 0.023 6.595 376 HG1 THR 51 HG1 THR 51 -19.692 1.150 4.765 377 HG21 THR 51 1HG2 THR 51 -19.116 2.283 6.640 378 HG22 THR 51 2HG2 THR 51 -18.034 1.285 7.612 379 HG23 THR 51 3HG2 THR 51 -19.709 1.519 8.114 380 H PHE 52 H PHE 52 -16.981 -0.251 8.612 381 HA PHE 52 HA PHE 52 -18.517 -1.143 10.961 382 HB2 PHE 52 2HB PHE 52 -15.541 -0.642 10.864 383 HB3 PHE 52 3HB PHE 52 -16.454 -1.454 12.131 384 HD1 PHE 52 HD1 PHE 52 -18.151 -3.262 10.546 385 HD2 PHE 52 HD2 PHE 52 -14.041 -2.244 10.117 386 HE1 PHE 52 HE1 PHE 52 -17.732 -5.430 9.459 387 HE2 PHE 52 HE2 PHE 52 -13.615 -4.410 9.029 388 HZ PHE 52 HZ PHE 52 -15.461 -6.005 8.698 389 H THR 53 H THR 53 -18.732 0.223 12.728 390 HA THR 53 HA THR 53 -18.119 3.052 12.179 391 HB THR 53 HB THR 53 -20.471 2.837 12.317 392 HG1 THR 53 HG1 THR 53 -19.633 4.554 13.601 393 HG21 THR 53 1HG2 THR 53 -21.187 1.826 14.768 394 HG22 THR 53 2HG2 THR 53 -19.836 0.791 14.306 395 HG23 THR 53 3HG2 THR 53 -21.236 0.942 13.243 396 H VAL 54 H VAL 54 -16.678 4.021 13.441 397 HA VAL 54 HA VAL 54 -16.277 3.029 16.178 398 HB VAL 54 HB VAL 54 -14.069 3.685 14.223 399 HG11 VAL 54 1HG1 VAL 54 -12.579 2.968 16.107 400 HG12 VAL 54 2HG1 VAL 54 -13.416 4.501 16.366 401 HG13 VAL 54 3HG1 VAL 54 -13.990 3.035 17.164 402 HG21 VAL 54 1HG2 VAL 54 -13.573 1.436 14.120 403 HG22 VAL 54 2HG2 VAL 54 -14.374 1.079 15.650 404 HG23 VAL 54 3HG2 VAL 54 -15.334 1.399 14.206 405 H THR 55 H THR 55 -15.774 4.570 17.700 406 HA THR 55 HA THR 55 -15.152 7.282 16.933 407 HB THR 55 HB THR 55 -17.168 8.095 18.388 408 HG1 THR 55 HG1 THR 55 -18.409 6.471 18.944 409 HG21 THR 55 1HG2 THR 55 -18.035 8.843 16.452 410 HG22 THR 55 2HG2 THR 55 -18.239 7.216 15.805 411 HG23 THR 55 3HG2 THR 55 -16.672 8.017 15.702 412 H GLU 56 H GLU 56 -13.835 8.117 18.414 413 HA GLU 56 HA GLU 56 -13.825 6.911 21.100 414 HB2 GLU 56 2HB GLU 56 -11.477 7.622 21.252 415 HB3 GLU 56 3HB GLU 56 -11.746 6.558 19.878 416 HG2 GLU 56 2HG GLU 56 -11.590 8.330 18.340 417 HG3 GLU 56 3HG GLU 56 -11.730 9.546 19.609 Start of MODEL 8 1 H1 MET 1 H MET 1 -10.706 -10.746 3.277 2 HA MET 1 HA MET 1 -12.800 -10.330 1.276 3 HB2 MET 1 2HB MET 1 -13.203 -10.892 4.154 4 HB3 MET 1 3HB MET 1 -14.158 -9.576 3.484 5 HG2 MET 1 2HG MET 1 -15.569 -11.333 3.147 6 HG3 MET 1 3HG MET 1 -14.699 -11.321 1.615 7 HE1 MET 1 1HE MET 1 -15.814 -12.900 4.582 8 HE2 MET 1 2HE MET 1 -16.149 -14.266 3.519 9 HE3 MET 1 3HE MET 1 -14.954 -14.424 4.808 10 H THR 2 H THR 2 -13.706 -8.140 1.341 11 HA THR 2 HA THR 2 -11.706 -6.206 2.310 12 HB THR 2 HB THR 2 -13.630 -5.995 -0.012 13 HG1 THR 2 HG1 THR 2 -11.864 -7.126 -0.666 14 HG21 THR 2 1HG2 THR 2 -13.459 -3.824 1.024 15 HG22 THR 2 2HG2 THR 2 -12.496 -3.823 -0.453 16 HG23 THR 2 3HG2 THR 2 -11.704 -3.963 1.116 17 H PHE 3 H PHE 3 -12.325 -4.467 3.514 18 HA PHE 3 HA PHE 3 -15.158 -3.945 3.947 19 HB2 PHE 3 2HB PHE 3 -13.252 -4.792 6.128 20 HB3 PHE 3 3HB PHE 3 -14.750 -3.931 6.459 21 HD1 PHE 3 HD1 PHE 3 -13.323 -7.056 6.415 22 HD2 PHE 3 HD2 PHE 3 -16.842 -5.037 5.126 23 HE1 PHE 3 HE1 PHE 3 -14.543 -9.193 6.412 24 HE2 PHE 3 HE2 PHE 3 -18.068 -7.170 5.123 25 HZ PHE 3 HZ PHE 3 -16.919 -9.251 5.767 26 H LYS 4 H LYS 4 -15.402 -2.014 5.494 27 HA LYS 4 HA LYS 4 -13.152 -0.152 5.297 28 HB2 LYS 4 2HB LYS 4 -14.296 0.528 3.379 29 HB3 LYS 4 3HB LYS 4 -15.873 0.213 4.090 30 HG2 LYS 4 2HG LYS 4 -15.651 2.152 5.521 31 HG3 LYS 4 3HG LYS 4 -14.024 2.447 4.904 32 HD2 LYS 4 2HD LYS 4 -16.006 2.217 2.784 33 HD3 LYS 4 3HD LYS 4 -16.366 3.525 3.913 34 HE2 LYS 4 2HE LYS 4 -13.741 3.943 3.570 35 HE3 LYS 4 3HE LYS 4 -14.120 3.210 2.014 36 HZ1 LYS 4 1HZ LYS 4 -15.782 5.405 3.064 37 HZ2 LYS 4 2HZ LYS 4 -15.548 4.918 1.461 38 HZ3 LYS 4 3HZ LYS 4 -14.321 5.745 2.282 39 H ALA 5 H ALA 5 -12.782 0.258 7.385 40 HA ALA 5 HA ALA 5 -15.043 0.607 9.211 41 HB1 ALA 5 1HB ALA 5 -12.092 0.256 9.704 42 HB2 ALA 5 2HB ALA 5 -13.269 0.579 10.978 43 HB3 ALA 5 3HB ALA 5 -13.386 -0.900 10.026 44 H ILE 6 H ILE 6 -15.582 2.517 10.104 45 HA ILE 6 HA ILE 6 -13.963 4.857 9.346 46 HB ILE 6 HB ILE 6 -16.914 4.599 9.899 47 HG12 ILE 6 2HG1 ILE 6 -16.895 5.811 7.601 48 HG13 ILE 6 3HG1 ILE 6 -15.222 5.276 7.509 49 HG21 ILE 6 1HG2 ILE 6 -15.192 7.053 9.776 50 HG22 ILE 6 2HG2 ILE 6 -16.912 7.104 9.395 51 HG23 ILE 6 3HG2 ILE 6 -16.379 6.597 10.996 52 HD11 ILE 6 1HD1 ILE 6 -17.124 3.848 6.460 53 HD12 ILE 6 2HD1 ILE 6 -15.799 3.064 7.324 54 HD13 ILE 6 3HD1 ILE 6 -17.357 3.293 8.118 55 H ILE 7 H ILE 7 -13.329 6.324 10.866 56 HA ILE 7 HA ILE 7 -14.019 5.718 13.667 57 HB ILE 7 HB ILE 7 -11.614 6.887 13.963 58 HG12 ILE 7 2HG1 ILE 7 -11.109 5.103 11.606 59 HG13 ILE 7 3HG1 ILE 7 -11.511 6.797 11.349 60 HG21 ILE 7 1HG2 ILE 7 -10.701 4.579 14.214 61 HG22 ILE 7 2HG2 ILE 7 -12.234 4.847 15.043 62 HG23 ILE 7 3HG2 ILE 7 -12.201 3.967 13.516 63 HD11 ILE 7 1HD1 ILE 7 -9.299 7.089 11.472 64 HD12 ILE 7 2HD1 ILE 7 -9.560 7.002 13.215 65 HD13 ILE 7 3HD1 ILE 7 -9.042 5.569 12.328 66 H ASN 8 H ASN 8 -14.563 7.402 14.955 67 HA ASN 8 HA ASN 8 -14.014 10.130 14.133 68 HB2 ASN 8 2HB ASN 8 -16.717 8.886 14.023 69 HB3 ASN 8 3HB ASN 8 -16.607 10.533 14.640 70 HD21 ASN 8 1HD2 ASN 8 -16.974 8.685 11.928 71 HD22 ASN 8 2HD2 ASN 8 -16.547 9.857 10.731 72 H GLY 9 H GLY 9 -13.318 11.132 15.895 73 HA2 GLY 9 2HA GLY 9 -14.281 10.197 18.517 74 HA3 GLY 9 3HA GLY 9 -12.761 11.031 18.234 75 H LYS 10 H LYS 10 -13.917 12.129 20.203 76 HA LYS 10 HA LYS 10 -16.057 13.847 19.938 77 HB2 LYS 10 2HB LYS 10 -14.582 13.287 22.001 78 HB3 LYS 10 3HB LYS 10 -13.613 14.660 21.484 79 HG2 LYS 10 2HG LYS 10 -16.551 15.014 21.788 80 HG3 LYS 10 3HG LYS 10 -15.540 14.945 23.233 81 HD2 LYS 10 2HD LYS 10 -15.024 16.799 20.912 82 HD3 LYS 10 3HD LYS 10 -15.953 17.253 22.342 83 HE2 LYS 10 2HE LYS 10 -13.908 16.527 23.685 84 HE3 LYS 10 3HE LYS 10 -13.043 16.529 22.149 85 HZ1 LYS 10 1HZ LYS 10 -13.639 18.860 21.867 86 HZ2 LYS 10 2HZ LYS 10 -12.771 18.626 23.300 87 HZ3 LYS 10 3HZ LYS 10 -14.446 18.853 23.353 88 H THR 11 H THR 11 -12.637 14.513 19.241 89 HA THR 11 HA THR 11 -13.489 16.649 17.426 90 HB THR 11 HB THR 11 -12.864 17.690 19.615 91 HG1 THR 11 HG1 THR 11 -11.622 18.216 17.168 92 HG21 THR 11 1HG2 THR 11 -10.852 15.863 19.684 93 HG22 THR 11 2HG2 THR 11 -10.883 17.346 20.638 94 HG23 THR 11 3HG2 THR 11 -9.993 17.294 19.117 95 H LEU 12 H LEU 12 -12.422 13.902 17.124 96 HA LEU 12 HA LEU 12 -10.031 14.582 15.543 97 HB2 LEU 12 2HB LEU 12 -9.258 13.318 17.399 98 HB3 LEU 12 3HB LEU 12 -10.564 12.146 17.227 99 HG LEU 12 HG LEU 12 -9.516 11.468 15.037 100 HD11 LEU 12 1HD1 LEU 12 -6.971 12.026 15.076 101 HD12 LEU 12 2HD1 LEU 12 -7.491 13.436 15.998 102 HD13 LEU 12 3HD1 LEU 12 -8.117 13.167 14.372 103 HD21 LEU 12 1HD2 LEU 12 -8.254 11.072 17.714 104 HD22 LEU 12 2HD2 LEU 12 -7.512 10.359 16.281 105 HD23 LEU 12 3HD2 LEU 12 -9.167 9.936 16.722 106 H LYS 13 H LYS 13 -10.052 13.971 13.463 107 HA LYS 13 HA LYS 13 -12.460 12.808 12.390 108 HB2 LYS 13 2HB LYS 13 -9.999 14.063 11.278 109 HB3 LYS 13 3HB LYS 13 -10.902 12.974 10.231 110 HG2 LYS 13 2HG LYS 13 -11.761 15.081 9.747 111 HG3 LYS 13 3HG LYS 13 -12.950 14.376 10.845 112 HD2 LYS 13 2HD LYS 13 -12.627 16.577 11.611 113 HD3 LYS 13 3HD LYS 13 -11.694 15.563 12.714 114 HE2 LYS 13 2HE LYS 13 -9.662 16.232 11.808 115 HE3 LYS 13 3HE LYS 13 -10.399 16.763 10.296 116 HZ1 LYS 13 1HZ LYS 13 -11.024 18.746 11.187 117 HZ2 LYS 13 2HZ LYS 13 -9.637 18.471 12.113 118 HZ3 LYS 13 3HZ LYS 13 -11.164 18.144 12.762 119 H GLY 14 H GLY 14 -12.117 11.120 10.552 120 HA2 GLY 14 2HA GLY 14 -10.034 9.266 10.616 121 HA3 GLY 14 3HA GLY 14 -11.239 8.726 11.776 122 H GLU 15 H GLU 15 -10.224 7.940 8.921 123 HA GLU 15 HA GLU 15 -12.568 6.651 8.096 124 HB2 GLU 15 2HB GLU 15 -12.969 7.924 5.966 125 HB3 GLU 15 3HB GLU 15 -13.445 8.769 7.433 126 HG2 GLU 15 2HG GLU 15 -12.217 10.493 6.814 127 HG3 GLU 15 3HG GLU 15 -10.774 9.486 6.919 128 H THR 16 H THR 16 -11.682 4.868 7.310 129 HA THR 16 HA THR 16 -9.899 4.968 5.058 130 HB THR 16 HB THR 16 -8.757 3.426 7.345 131 HG1 THR 16 HG1 THR 16 -7.983 6.112 6.960 132 HG21 THR 16 1HG2 THR 16 -7.969 4.296 4.695 133 HG22 THR 16 2HG2 THR 16 -7.257 3.057 5.730 134 HG23 THR 16 3HG2 THR 16 -6.771 4.743 5.910 135 H THR 17 H THR 17 -9.283 2.722 4.347 136 HA THR 17 HA THR 17 -11.437 0.832 5.040 137 HB THR 17 HB THR 17 -11.435 0.004 2.799 138 HG1 THR 17 HG1 THR 17 -9.946 1.117 1.256 139 HG21 THR 17 1HG2 THR 17 -11.297 2.707 1.839 140 HG22 THR 17 2HG2 THR 17 -12.064 2.673 3.426 141 HG23 THR 17 3HG2 THR 17 -12.714 1.694 2.111 142 H THR 18 H THR 18 -10.876 -1.477 4.627 143 HA THR 18 HA THR 18 -8.172 -2.315 4.467 144 HB THR 18 HB THR 18 -8.023 -1.422 6.733 145 HG1 THR 18 HG1 THR 18 -6.786 -3.100 7.046 146 HG21 THR 18 1HG2 THR 18 -10.562 -1.876 7.119 147 HG22 THR 18 2HG2 THR 18 -9.444 -1.973 8.479 148 HG23 THR 18 3HG2 THR 18 -10.006 -3.447 7.693 149 H GLU 19 H GLU 19 -7.959 -4.570 4.366 150 HA GLU 19 HA GLU 19 -10.493 -5.968 3.956 151 HB2 GLU 19 2HB GLU 19 -7.663 -6.490 3.089 152 HB3 GLU 19 3HB GLU 19 -8.881 -7.756 3.010 153 HG2 GLU 19 2HG GLU 19 -9.993 -6.780 1.293 154 HG3 GLU 19 3HG GLU 19 -9.561 -5.146 1.793 155 H ALA 20 H ALA 20 -11.055 -7.845 5.007 156 HA ALA 20 HA ALA 20 -9.258 -8.849 7.094 157 HB1 ALA 20 1HB ALA 20 -12.143 -8.138 7.608 158 HB2 ALA 20 2HB ALA 20 -11.009 -8.837 8.765 159 HB3 ALA 20 3HB ALA 20 -10.751 -7.203 8.154 160 H VAL 21 H VAL 21 -10.366 -10.859 8.160 161 HA VAL 21 HA VAL 21 -11.515 -12.486 5.985 162 HB VAL 21 HB VAL 21 -9.731 -13.386 8.253 163 HG11 VAL 21 1HG1 VAL 21 -10.989 -14.959 6.006 164 HG12 VAL 21 2HG1 VAL 21 -9.782 -15.580 7.134 165 HG13 VAL 21 3HG1 VAL 21 -11.371 -15.090 7.722 166 HG21 VAL 21 1HG2 VAL 21 -9.201 -13.306 5.284 167 HG22 VAL 21 2HG2 VAL 21 -8.577 -12.144 6.455 168 HG23 VAL 21 3HG2 VAL 21 -8.082 -13.835 6.541 169 H ASP 22 H ASP 22 -11.471 -11.961 9.489 170 HA ASP 22 HA ASP 22 -14.249 -12.879 9.598 171 HB2 ASP 22 2HB ASP 22 -11.979 -13.920 11.286 172 HB3 ASP 22 3HB ASP 22 -13.657 -14.029 11.809 173 H ALA 23 H ALA 23 -14.965 -12.533 12.081 174 HA ALA 23 HA ALA 23 -14.970 -9.732 12.455 175 HB1 ALA 23 1HB ALA 23 -16.565 -10.103 14.015 176 HB2 ALA 23 2HB ALA 23 -16.600 -11.696 13.261 177 HB3 ALA 23 3HB ALA 23 -15.689 -11.447 14.751 178 H ALA 24 H ALA 24 -12.846 -12.215 13.527 179 HA ALA 24 HA ALA 24 -11.768 -10.671 15.731 180 HB1 ALA 24 1HB ALA 24 -10.077 -12.615 15.734 181 HB2 ALA 24 2HB ALA 24 -11.747 -12.948 16.197 182 HB3 ALA 24 3HB ALA 24 -11.178 -13.373 14.583 183 H THR 25 H THR 25 -10.925 -11.499 12.423 184 HA THR 25 HA THR 25 -8.271 -10.775 12.313 185 HB THR 25 HB THR 25 -10.395 -10.287 10.216 186 HG1 THR 25 HG1 THR 25 -8.713 -12.466 10.871 187 HG21 THR 25 1HG2 THR 25 -7.646 -9.497 10.287 188 HG22 THR 25 2HG2 THR 25 -8.829 -9.276 8.997 189 HG23 THR 25 3HG2 THR 25 -7.858 -10.746 9.062 190 H ALA 26 H ALA 26 -11.118 -8.676 12.125 191 HA ALA 26 HA ALA 26 -9.555 -6.289 11.764 192 HB1 ALA 26 1HB ALA 26 -11.839 -5.202 12.277 193 HB2 ALA 26 2HB ALA 26 -11.657 -6.136 10.791 194 HB3 ALA 26 3HB ALA 26 -12.466 -6.848 12.186 195 H GLU 27 H GLU 27 -10.744 -8.119 14.445 196 HA GLU 27 HA GLU 27 -10.594 -5.985 16.360 197 HB2 GLU 27 2HB GLU 27 -12.122 -7.733 16.861 198 HB3 GLU 27 3HB GLU 27 -10.901 -8.972 16.607 199 HG2 GLU 27 2HG GLU 27 -9.904 -8.606 18.643 200 HG3 GLU 27 3HG GLU 27 -10.498 -6.951 18.757 201 H LYS 28 H LYS 28 -8.483 -8.560 15.250 202 HA LYS 28 HA LYS 28 -6.494 -8.050 17.282 203 HB2 LYS 28 2HB LYS 28 -5.261 -9.830 16.321 204 HB3 LYS 28 3HB LYS 28 -6.951 -10.312 16.229 205 HG2 LYS 28 2HG LYS 28 -6.527 -10.783 14.097 206 HG3 LYS 28 3HG LYS 28 -6.566 -9.038 13.833 207 HD2 LYS 28 2HD LYS 28 -4.481 -9.256 13.061 208 HD3 LYS 28 3HD LYS 28 -4.001 -9.487 14.743 209 HE2 LYS 28 2HE LYS 28 -3.101 -11.374 13.833 210 HE3 LYS 28 3HE LYS 28 -4.710 -11.982 14.225 211 HZ1 LYS 28 1HZ LYS 28 -4.018 -12.581 11.975 212 HZ2 LYS 28 2HZ LYS 28 -3.872 -10.947 11.569 213 HZ3 LYS 28 3HZ LYS 28 -5.389 -11.590 11.953 214 H VAL 29 H VAL 29 -7.211 -6.964 14.084 215 HA VAL 29 HA VAL 29 -4.548 -5.929 13.596 216 HB VAL 29 HB VAL 29 -6.232 -6.797 11.820 217 HG11 VAL 29 1HG1 VAL 29 -7.917 -5.005 12.770 218 HG12 VAL 29 2HG1 VAL 29 -7.091 -3.956 11.615 219 HG13 VAL 29 3HG1 VAL 29 -7.895 -5.425 11.058 220 HG21 VAL 29 1HG2 VAL 29 -4.079 -5.893 11.238 221 HG22 VAL 29 2HG2 VAL 29 -5.292 -5.231 10.142 222 HG23 VAL 29 3HG2 VAL 29 -4.665 -4.246 11.463 223 H PHE 30 H PHE 30 -7.524 -4.846 14.958 224 HA PHE 30 HA PHE 30 -7.050 -2.042 14.595 225 HB2 PHE 30 2HB PHE 30 -9.123 -3.730 15.777 226 HB3 PHE 30 3HB PHE 30 -8.829 -2.258 16.699 227 HD1 PHE 30 HD1 PHE 30 -8.284 -0.244 14.753 228 HD2 PHE 30 HD2 PHE 30 -11.037 -3.483 14.540 229 HE1 PHE 30 HE1 PHE 30 -9.654 1.030 13.155 230 HE2 PHE 30 HE2 PHE 30 -12.411 -2.214 12.940 231 HZ PHE 30 HZ PHE 30 -11.720 0.045 12.246 232 H LYS 31 H LYS 31 -6.757 -4.302 17.317 233 HA LYS 31 HA LYS 31 -5.987 -2.568 19.313 234 HB2 LYS 31 2HB LYS 31 -4.624 -4.556 20.181 235 HB3 LYS 31 3HB LYS 31 -6.350 -4.800 19.945 236 HG2 LYS 31 2HG LYS 31 -5.984 -6.014 17.933 237 HG3 LYS 31 3HG LYS 31 -4.273 -5.582 17.916 238 HD2 LYS 31 2HD LYS 31 -5.534 -7.165 20.144 239 HD3 LYS 31 3HD LYS 31 -4.838 -7.923 18.710 240 HE2 LYS 31 2HE LYS 31 -2.697 -6.754 19.215 241 HE3 LYS 31 3HE LYS 31 -3.416 -6.181 20.719 242 HZ1 LYS 31 1HZ LYS 31 -3.348 -9.061 20.086 243 HZ2 LYS 31 2HZ LYS 31 -3.474 -8.309 21.595 244 HZ3 LYS 31 3HZ LYS 31 -2.000 -8.299 20.766 245 H GLN 32 H GLN 32 -3.986 -4.025 16.787 246 HA GLN 32 HA GLN 32 -1.483 -3.197 17.678 247 HB2 GLN 32 2HB GLN 32 -1.711 -4.766 15.851 248 HB3 GLN 32 3HB GLN 32 -2.507 -3.552 14.857 249 HG2 GLN 32 2HG GLN 32 -0.531 -2.346 14.542 250 HG3 GLN 32 3HG GLN 32 0.281 -3.159 15.878 251 HE21 GLN 32 1HE2 GLN 32 1.422 -2.937 13.373 252 HE22 GLN 32 2HE2 GLN 32 1.526 -4.505 12.656 253 H TYR 33 H TYR 33 -3.924 -1.466 15.817 254 HA TYR 33 HA TYR 33 -2.222 0.849 15.476 255 HB2 TYR 33 2HB TYR 33 -4.976 0.082 14.610 256 HB3 TYR 33 3HB TYR 33 -4.546 1.788 14.637 257 HD1 TYR 33 HD1 TYR 33 -3.576 -1.497 13.213 258 HD2 TYR 33 HD2 TYR 33 -3.252 2.734 12.912 259 HE1 TYR 33 HE1 TYR 33 -2.492 -1.742 11.019 260 HE2 TYR 33 HE2 TYR 33 -2.169 2.502 10.716 261 HH TYR 33 HH TYR 33 -0.751 0.541 9.563 262 H PHE 34 H PHE 34 -4.640 -0.277 17.678 263 HA PHE 34 HA PHE 34 -5.573 2.123 18.745 264 HB2 PHE 34 2HB PHE 34 -5.388 -0.683 19.685 265 HB3 PHE 34 3HB PHE 34 -5.614 0.543 20.928 266 HD1 PHE 34 HD1 PHE 34 -6.951 0.462 17.465 267 HD2 PHE 34 HD2 PHE 34 -7.807 0.240 21.628 268 HE1 PHE 34 HE1 PHE 34 -9.361 0.513 16.969 269 HE2 PHE 34 HE2 PHE 34 -10.217 0.291 21.139 270 HZ PHE 34 HZ PHE 34 -10.997 0.426 18.807 271 H ASN 35 H ASN 35 -2.504 0.587 19.051 272 HA ASN 35 HA ASN 35 -1.722 1.962 21.454 273 HB2 ASN 35 2HB ASN 35 -0.714 -0.182 21.004 274 HB3 ASN 35 3HB ASN 35 -0.149 0.363 19.428 275 HD21 ASN 35 1HD2 ASN 35 0.159 0.967 22.890 276 HD22 ASN 35 2HD2 ASN 35 1.798 1.507 22.830 277 H ASP 36 H ASP 36 -1.687 2.614 18.069 278 HA ASP 36 HA ASP 36 0.357 4.638 18.184 279 HB2 ASP 36 2HB ASP 36 -0.252 3.237 16.141 280 HB3 ASP 36 3HB ASP 36 -1.672 4.267 15.982 281 H ASN 37 H ASN 37 -3.113 4.499 18.472 282 HA ASN 37 HA ASN 37 -3.285 7.426 18.481 283 HB2 ASN 37 2HB ASN 37 -5.661 5.611 18.732 284 HB3 ASN 37 3HB ASN 37 -5.565 7.227 18.037 285 HD21 ASN 37 1HD2 ASN 37 -4.052 7.345 16.089 286 HD22 ASN 37 2HD2 ASN 37 -4.224 6.077 14.927 287 H GLY 38 H GLY 38 -3.290 4.694 20.562 288 HA2 GLY 38 2HA GLY 38 -3.409 4.515 22.847 289 HA3 GLY 38 3HA GLY 38 -3.182 6.257 22.905 290 H LEU 39 H LEU 39 -5.860 5.106 21.090 291 HA LEU 39 HA LEU 39 -7.664 5.825 23.308 292 HB2 LEU 39 2HB LEU 39 -7.816 6.436 20.376 293 HB3 LEU 39 3HB LEU 39 -9.261 6.437 21.386 294 HG LEU 39 HG LEU 39 -6.848 8.182 21.867 295 HD11 LEU 39 1HD1 LEU 39 -9.411 9.320 20.934 296 HD12 LEU 39 2HD1 LEU 39 -8.434 8.470 19.738 297 HD13 LEU 39 3HD1 LEU 39 -7.753 9.836 20.619 298 HD21 LEU 39 1HD2 LEU 39 -9.601 8.066 23.084 299 HD22 LEU 39 2HD2 LEU 39 -8.499 9.427 23.286 300 HD23 LEU 39 3HD2 LEU 39 -8.051 7.833 23.892 301 H ASP 40 H ASP 40 -9.972 4.964 22.829 302 HA ASP 40 HA ASP 40 -10.288 2.608 21.302 303 HB2 ASP 40 2HB ASP 40 -10.495 0.999 23.208 304 HB3 ASP 40 3HB ASP 40 -8.848 1.553 22.917 305 H GLY 41 H GLY 41 -12.345 1.383 22.063 306 HA2 GLY 41 2HA GLY 41 -14.238 2.581 23.734 307 HA3 GLY 41 3HA GLY 41 -14.462 3.249 22.124 308 H GLU 42 H GLU 42 -15.484 2.062 20.586 309 HA GLU 42 HA GLU 42 -15.897 -0.782 20.952 310 HB2 GLU 42 2HB GLU 42 -18.350 -0.627 20.860 311 HB3 GLU 42 3HB GLU 42 -17.701 0.132 22.306 312 HG2 GLU 42 2HG GLU 42 -18.248 1.790 19.890 313 HG3 GLU 42 3HG GLU 42 -19.577 1.300 20.939 314 H TRP 43 H TRP 43 -16.430 -1.846 19.065 315 HA TRP 43 HA TRP 43 -16.748 -0.181 16.659 316 HB2 TRP 43 2HB TRP 43 -15.154 -1.429 15.452 317 HB3 TRP 43 3HB TRP 43 -14.398 -1.142 17.016 318 HD1 TRP 43 HD1 TRP 43 -14.574 -3.303 18.794 319 HE1 TRP 43 HE1 TRP 43 -14.375 -5.815 18.269 320 HE3 TRP 43 HE3 TRP 43 -15.538 -3.163 13.776 321 HZ2 TRP 43 HZ2 TRP 43 -14.597 -7.512 16.025 322 HZ3 TRP 43 HZ3 TRP 43 -15.526 -5.274 12.513 323 HH2 TRP 43 HH2 TRP 43 -15.063 -7.403 13.616 324 H THR 44 H THR 44 -18.222 -0.869 15.197 325 HA THR 44 HA THR 44 -19.657 -3.360 15.840 326 HB THR 44 HB THR 44 -20.945 -1.368 14.062 327 HG1 THR 44 HG1 THR 44 -21.622 -0.191 15.997 328 HG21 THR 44 1HG2 THR 44 -22.627 -2.119 16.157 329 HG22 THR 44 2HG2 THR 44 -21.672 -3.560 15.802 330 HG23 THR 44 3HG2 THR 44 -22.608 -2.784 14.524 331 H TYR 45 H TYR 45 -20.451 -4.648 14.089 332 HA TYR 45 HA TYR 45 -18.878 -4.329 11.616 333 HB2 TYR 45 2HB TYR 45 -19.057 -6.818 11.404 334 HB3 TYR 45 3HB TYR 45 -18.122 -6.283 12.796 335 HD1 TYR 45 HD1 TYR 45 -21.027 -8.116 11.670 336 HD2 TYR 45 HD2 TYR 45 -19.148 -6.387 15.074 337 HE1 TYR 45 HE1 TYR 45 -22.455 -9.475 13.140 338 HE2 TYR 45 HE2 TYR 45 -20.570 -7.744 16.554 339 HH TYR 45 HH TYR 45 -23.319 -9.295 15.546 340 H ASP 46 H ASP 46 -20.044 -3.851 9.891 341 HA ASP 46 HA ASP 46 -22.827 -4.813 9.756 342 HB2 ASP 46 2HB ASP 46 -21.900 -2.308 8.376 343 HB3 ASP 46 3HB ASP 46 -23.540 -2.795 8.795 344 H ASP 47 H ASP 47 -22.315 -6.647 8.565 345 HA ASP 47 HA ASP 47 -20.717 -6.551 6.200 346 HB2 ASP 47 2HB ASP 47 -21.610 -8.560 7.839 347 HB3 ASP 47 3HB ASP 47 -22.626 -8.774 6.417 348 H ALA 48 H ALA 48 -24.058 -6.016 6.913 349 HA ALA 48 HA ALA 48 -25.268 -6.559 4.473 350 HB1 ALA 48 1HB ALA 48 -26.198 -5.688 6.800 351 HB2 ALA 48 2HB ALA 48 -26.156 -4.143 5.948 352 HB3 ALA 48 3HB ALA 48 -27.097 -5.485 5.296 353 H THR 49 H THR 49 -23.233 -3.897 5.427 354 HA THR 49 HA THR 49 -23.484 -2.790 2.707 355 HB THR 49 HB THR 49 -23.373 -0.580 3.469 356 HG1 THR 49 HG1 THR 49 -22.850 -1.423 6.129 357 HG21 THR 49 1HG2 THR 49 -25.160 -0.353 5.137 358 HG22 THR 49 2HG2 THR 49 -25.011 -2.067 5.526 359 HG23 THR 49 3HG2 THR 49 -25.560 -1.570 3.925 360 H LYS 50 H LYS 50 -21.496 -4.283 4.889 361 HA LYS 50 HA LYS 50 -19.264 -4.722 4.939 362 HB2 LYS 50 2HB LYS 50 -18.962 -3.204 2.359 363 HB3 LYS 50 3HB LYS 50 -18.015 -4.566 2.944 364 HG2 LYS 50 2HG LYS 50 -20.893 -4.683 2.063 365 HG3 LYS 50 3HG LYS 50 -19.498 -5.206 1.114 366 HD2 LYS 50 2HD LYS 50 -20.148 -6.333 3.830 367 HD3 LYS 50 3HD LYS 50 -20.768 -7.028 2.330 368 HE2 LYS 50 2HE LYS 50 -17.835 -6.541 2.684 369 HE3 LYS 50 3HE LYS 50 -18.590 -7.977 3.371 370 HZ1 LYS 50 1HZ LYS 50 -17.822 -7.489 0.700 371 HZ2 LYS 50 2HZ LYS 50 -19.488 -7.776 0.757 372 HZ3 LYS 50 3HZ LYS 50 -18.412 -8.917 1.390 373 H THR 51 H THR 51 -20.015 -2.640 6.470 374 HA THR 51 HA THR 51 -17.646 -0.943 6.386 375 HB THR 51 HB THR 51 -20.461 0.151 6.403 376 HG1 THR 51 HG1 THR 51 -19.548 -0.131 4.339 377 HG21 THR 51 1HG2 THR 51 -19.591 1.569 7.960 378 HG22 THR 51 2HG2 THR 51 -18.968 2.363 6.513 379 HG23 THR 51 3HG2 THR 51 -17.928 1.287 7.446 380 H PHE 52 H PHE 52 -16.935 -0.302 8.381 381 HA PHE 52 HA PHE 52 -18.477 -1.309 10.679 382 HB2 PHE 52 2HB PHE 52 -15.499 -1.004 10.279 383 HB3 PHE 52 3HB PHE 52 -16.229 -1.336 11.846 384 HD1 PHE 52 HD1 PHE 52 -16.336 -3.523 12.520 385 HD2 PHE 52 HD2 PHE 52 -16.329 -2.650 8.354 386 HE1 PHE 52 HE1 PHE 52 -16.319 -5.931 12.020 387 HE2 PHE 52 HE2 PHE 52 -16.312 -5.057 7.847 388 HZ PHE 52 HZ PHE 52 -16.308 -6.701 9.680 389 H THR 53 H THR 53 -18.851 -0.005 12.420 390 HA THR 53 HA THR 53 -18.168 2.835 12.065 391 HB THR 53 HB THR 53 -20.531 2.588 12.122 392 HG1 THR 53 HG1 THR 53 -20.828 4.079 13.620 393 HG21 THR 53 1HG2 THR 53 -21.208 1.520 14.601 394 HG22 THR 53 2HG2 THR 53 -19.935 0.460 13.995 395 HG23 THR 53 3HG2 THR 53 -21.387 0.737 13.032 396 H VAL 54 H VAL 54 -16.781 3.750 13.427 397 HA VAL 54 HA VAL 54 -16.447 2.603 16.112 398 HB VAL 54 HB VAL 54 -14.186 3.388 14.268 399 HG11 VAL 54 1HG1 VAL 54 -13.534 4.050 16.434 400 HG12 VAL 54 2HG1 VAL 54 -14.235 2.610 17.173 401 HG13 VAL 54 3HG1 VAL 54 -12.783 2.476 16.178 402 HG21 VAL 54 1HG2 VAL 54 -14.717 0.690 15.487 403 HG22 VAL 54 2HG2 VAL 54 -15.332 1.154 13.900 404 HG23 VAL 54 3HG2 VAL 54 -13.594 1.104 14.191 405 H THR 55 H THR 55 -15.958 4.056 17.731 406 HA THR 55 HA THR 55 -16.085 6.899 16.960 407 HB THR 55 HB THR 55 -16.829 5.923 19.699 408 HG1 THR 55 HG1 THR 55 -18.378 5.810 17.328 409 HG21 THR 55 1HG2 THR 55 -16.519 8.393 18.956 410 HG22 THR 55 2HG2 THR 55 -17.940 7.955 19.905 411 HG23 THR 55 3HG2 THR 55 -18.077 8.170 18.161 412 H GLU 56 H GLU 56 -13.992 7.531 16.927 413 HA GLU 56 HA GLU 56 -12.010 6.594 18.728 414 HB2 GLU 56 2HB GLU 56 -12.177 8.704 16.638 415 HB3 GLU 56 3HB GLU 56 -10.894 8.852 17.831 416 HG2 GLU 56 2HG GLU 56 -11.336 6.306 16.317 417 HG3 GLU 56 3HG GLU 56 -10.378 7.627 15.651 Start of MODEL 9 1 H1 MET 1 H MET 1 -10.735 -10.646 2.898 2 HA MET 1 HA MET 1 -12.919 -10.059 1.034 3 HB2 MET 1 2HB MET 1 -13.331 -9.984 4.018 4 HB3 MET 1 3HB MET 1 -14.545 -9.849 2.754 5 HG2 MET 1 2HG MET 1 -13.857 -12.232 2.113 6 HG3 MET 1 3HG MET 1 -13.075 -12.279 3.691 7 HE1 MET 1 1HE MET 1 -16.024 -12.728 1.629 8 HE2 MET 1 2HE MET 1 -17.430 -12.790 2.692 9 HE3 MET 1 3HE MET 1 -16.777 -11.231 2.183 10 H THR 2 H THR 2 -13.752 -7.871 1.229 11 HA THR 2 HA THR 2 -11.676 -6.022 2.192 12 HB THR 2 HB THR 2 -13.792 -5.623 0.069 13 HG1 THR 2 HG1 THR 2 -12.158 -6.734 -0.858 14 HG21 THR 2 1HG2 THR 2 -12.685 -3.456 -0.338 15 HG22 THR 2 2HG2 THR 2 -11.668 -3.726 1.077 16 HG23 THR 2 3HG2 THR 2 -13.411 -3.540 1.267 17 H PHE 3 H PHE 3 -12.198 -4.268 3.462 18 HA PHE 3 HA PHE 3 -14.976 -3.841 4.225 19 HB2 PHE 3 2HB PHE 3 -12.812 -4.722 6.126 20 HB3 PHE 3 3HB PHE 3 -14.223 -3.828 6.682 21 HD1 PHE 3 HD1 PHE 3 -12.899 -7.026 5.849 22 HD2 PHE 3 HD2 PHE 3 -16.520 -4.814 6.183 23 HE1 PHE 3 HE1 PHE 3 -14.168 -9.130 5.989 24 HE2 PHE 3 HE2 PHE 3 -17.794 -6.914 6.324 25 HZ PHE 3 HZ PHE 3 -16.619 -9.075 6.228 26 H LYS 4 H LYS 4 -15.100 -1.944 5.825 27 HA LYS 4 HA LYS 4 -12.926 -0.030 5.544 28 HB2 LYS 4 2HB LYS 4 -14.067 0.584 3.591 29 HB3 LYS 4 3HB LYS 4 -15.646 0.310 4.316 30 HG2 LYS 4 2HG LYS 4 -15.369 2.282 5.710 31 HG3 LYS 4 3HG LYS 4 -13.761 2.546 5.034 32 HD2 LYS 4 2HD LYS 4 -16.040 2.318 3.143 33 HD3 LYS 4 3HD LYS 4 -15.906 3.797 4.096 34 HE2 LYS 4 2HE LYS 4 -14.610 4.429 2.349 35 HE3 LYS 4 3HE LYS 4 -13.371 3.590 3.281 36 HZ1 LYS 4 1HZ LYS 4 -13.703 1.630 1.948 37 HZ2 LYS 4 2HZ LYS 4 -13.384 2.945 0.932 38 HZ3 LYS 4 3HZ LYS 4 -14.965 2.366 1.095 39 H ALA 5 H ALA 5 -12.596 0.402 7.635 40 HA ALA 5 HA ALA 5 -14.898 0.770 9.409 41 HB1 ALA 5 1HB ALA 5 -13.464 0.383 11.222 42 HB2 ALA 5 2HB ALA 5 -12.937 -0.757 9.984 43 HB3 ALA 5 3HB ALA 5 -12.021 0.723 10.266 44 H ILE 6 H ILE 6 -15.510 2.717 10.109 45 HA ILE 6 HA ILE 6 -13.834 5.023 9.410 46 HB ILE 6 HB ILE 6 -16.782 4.797 9.991 47 HG12 ILE 6 2HG1 ILE 6 -16.779 5.964 7.672 48 HG13 ILE 6 3HG1 ILE 6 -15.107 5.421 7.572 49 HG21 ILE 6 1HG2 ILE 6 -16.674 7.322 9.358 50 HG22 ILE 6 2HG2 ILE 6 -16.341 6.814 11.014 51 HG23 ILE 6 3HG2 ILE 6 -15.008 7.197 9.925 52 HD11 ILE 6 1HD1 ILE 6 -17.280 3.478 8.212 53 HD12 ILE 6 2HD1 ILE 6 -16.980 3.975 6.546 54 HD13 ILE 6 3HD1 ILE 6 -15.702 3.195 7.478 55 H ILE 7 H ILE 7 -13.184 6.508 10.909 56 HA ILE 7 HA ILE 7 -13.858 5.936 13.722 57 HB ILE 7 HB ILE 7 -11.442 7.102 13.979 58 HG12 ILE 7 2HG1 ILE 7 -10.979 5.264 11.652 59 HG13 ILE 7 3HG1 ILE 7 -11.354 6.960 11.372 60 HG21 ILE 7 1HG2 ILE 7 -12.125 4.192 13.642 61 HG22 ILE 7 2HG2 ILE 7 -10.549 4.748 14.201 62 HG23 ILE 7 3HG2 ILE 7 -11.996 5.116 15.138 63 HD11 ILE 7 1HD1 ILE 7 -9.042 5.905 12.982 64 HD12 ILE 7 2HD1 ILE 7 -8.962 6.577 11.352 65 HD13 ILE 7 3HD1 ILE 7 -9.418 7.606 12.709 66 H ASN 8 H ASN 8 -14.392 7.636 14.990 67 HA ASN 8 HA ASN 8 -13.830 10.353 14.137 68 HB2 ASN 8 2HB ASN 8 -16.190 9.281 13.292 69 HB3 ASN 8 3HB ASN 8 -16.673 9.986 14.832 70 HD21 ASN 8 1HD2 ASN 8 -16.921 12.135 14.992 71 HD22 ASN 8 2HD2 ASN 8 -16.632 13.252 13.705 72 H GLY 9 H GLY 9 -13.149 11.395 15.883 73 HA2 GLY 9 2HA GLY 9 -14.065 10.465 18.522 74 HA3 GLY 9 3HA GLY 9 -12.576 11.346 18.214 75 H LYS 10 H LYS 10 -13.438 12.619 20.069 76 HA LYS 10 HA LYS 10 -15.727 14.159 20.035 77 HB2 LYS 10 2HB LYS 10 -13.907 13.903 21.858 78 HB3 LYS 10 3HB LYS 10 -13.122 15.259 21.060 79 HG2 LYS 10 2HG LYS 10 -15.097 16.635 21.425 80 HG3 LYS 10 3HG LYS 10 -15.910 15.273 22.201 81 HD2 LYS 10 2HD LYS 10 -15.101 16.501 24.003 82 HD3 LYS 10 3HD LYS 10 -13.870 15.254 23.786 83 HE2 LYS 10 2HE LYS 10 -13.556 17.844 22.349 84 HE3 LYS 10 3HE LYS 10 -13.218 17.790 24.079 85 HZ1 LYS 10 1HZ LYS 10 -11.231 16.991 23.573 86 HZ2 LYS 10 2HZ LYS 10 -11.621 16.879 21.932 87 HZ3 LYS 10 3HZ LYS 10 -11.963 15.589 22.971 88 H THR 11 H THR 11 -12.497 15.140 18.884 89 HA THR 11 HA THR 11 -13.795 16.885 16.921 90 HB THR 11 HB THR 11 -11.917 18.592 17.444 91 HG1 THR 11 HG1 THR 11 -11.802 16.847 19.627 92 HG21 THR 11 1HG2 THR 11 -13.618 18.910 19.719 93 HG22 THR 11 2HG2 THR 11 -14.569 18.278 18.375 94 HG23 THR 11 3HG2 THR 11 -13.654 19.773 18.182 95 H LEU 12 H LEU 12 -12.336 14.308 16.837 96 HA LEU 12 HA LEU 12 -10.135 15.130 15.056 97 HB2 LEU 12 2HB LEU 12 -9.128 12.893 15.597 98 HB3 LEU 12 3HB LEU 12 -9.131 14.072 16.907 99 HG LEU 12 HG LEU 12 -11.386 12.152 16.826 100 HD11 LEU 12 1HD1 LEU 12 -10.176 10.301 16.899 101 HD12 LEU 12 2HD1 LEU 12 -9.294 10.928 18.291 102 HD13 LEU 12 3HD1 LEU 12 -8.703 11.241 16.659 103 HD21 LEU 12 1HD2 LEU 12 -11.610 13.332 18.726 104 HD22 LEU 12 2HD2 LEU 12 -9.910 13.801 18.757 105 HD23 LEU 12 3HD2 LEU 12 -10.397 12.212 19.348 106 H LYS 13 H LYS 13 -10.193 14.409 13.015 107 HA LYS 13 HA LYS 13 -12.502 12.935 12.127 108 HB2 LYS 13 2HB LYS 13 -10.244 14.374 10.824 109 HB3 LYS 13 3HB LYS 13 -11.079 13.144 9.884 110 HG2 LYS 13 2HG LYS 13 -12.349 14.919 9.305 111 HG3 LYS 13 3HG LYS 13 -13.203 14.474 10.785 112 HD2 LYS 13 2HD LYS 13 -12.901 16.712 11.156 113 HD3 LYS 13 3HD LYS 13 -11.423 16.079 11.886 114 HE2 LYS 13 2HE LYS 13 -10.593 17.781 10.577 115 HE3 LYS 13 3HE LYS 13 -10.442 16.401 9.491 116 HZ1 LYS 13 1HZ LYS 13 -12.718 18.308 9.482 117 HZ2 LYS 13 2HZ LYS 13 -12.453 17.049 8.383 118 HZ3 LYS 13 3HZ LYS 13 -11.404 18.375 8.417 119 H GLY 14 H GLY 14 -12.206 11.111 10.527 120 HA2 GLY 14 2HA GLY 14 -9.847 9.509 10.669 121 HA3 GLY 14 3HA GLY 14 -11.102 8.890 11.732 122 H GLU 15 H GLU 15 -9.829 7.888 9.175 123 HA GLU 15 HA GLU 15 -12.080 6.609 8.107 124 HB2 GLU 15 2HB GLU 15 -11.989 7.696 5.803 125 HB3 GLU 15 3HB GLU 15 -12.777 8.612 7.079 126 HG2 GLU 15 2HG GLU 15 -10.845 10.011 7.345 127 HG3 GLU 15 3HG GLU 15 -9.931 9.029 6.202 128 H THR 16 H THR 16 -11.245 4.733 7.513 129 HA THR 16 HA THR 16 -9.095 4.552 5.631 130 HB THR 16 HB THR 16 -7.877 2.947 7.413 131 HG1 THR 16 HG1 THR 16 -8.323 3.483 9.408 132 HG21 THR 16 1HG2 THR 16 -6.159 4.512 7.463 133 HG22 THR 16 2HG2 THR 16 -7.273 5.878 7.529 134 HG23 THR 16 3HG2 THR 16 -7.062 4.985 6.025 135 H THR 17 H THR 17 -8.929 2.517 4.700 136 HA THR 17 HA THR 17 -11.047 0.631 5.486 137 HB THR 17 HB THR 17 -11.113 -0.164 3.242 138 HG1 THR 17 HG1 THR 17 -9.598 0.581 1.682 139 HG21 THR 17 1HG2 THR 17 -12.306 1.925 3.564 140 HG22 THR 17 2HG2 THR 17 -11.591 1.891 1.952 141 HG23 THR 17 3HG2 THR 17 -10.839 2.844 3.231 142 H THR 18 H THR 18 -10.553 -1.696 4.985 143 HA THR 18 HA THR 18 -7.870 -2.600 4.834 144 HB THR 18 HB THR 18 -7.822 -1.737 7.157 145 HG1 THR 18 HG1 THR 18 -6.435 -3.340 7.205 146 HG21 THR 18 1HG2 THR 18 -9.286 -2.356 8.790 147 HG22 THR 18 2HG2 THR 18 -9.558 -3.954 8.093 148 HG23 THR 18 3HG2 THR 18 -10.359 -2.543 7.402 149 H GLU 19 H GLU 19 -7.829 -4.691 4.220 150 HA GLU 19 HA GLU 19 -10.352 -6.050 3.881 151 HB2 GLU 19 2HB GLU 19 -7.522 -6.658 3.057 152 HB3 GLU 19 3HB GLU 19 -8.814 -7.834 2.850 153 HG2 GLU 19 2HG GLU 19 -9.851 -6.618 1.213 154 HG3 GLU 19 3HG GLU 19 -9.202 -5.084 1.788 155 H ALA 20 H ALA 20 -10.997 -7.957 4.824 156 HA ALA 20 HA ALA 20 -9.272 -9.150 6.867 157 HB1 ALA 20 1HB ALA 20 -11.999 -7.992 7.354 158 HB2 ALA 20 2HB ALA 20 -11.311 -9.238 8.396 159 HB3 ALA 20 3HB ALA 20 -10.496 -7.683 8.226 160 H VAL 21 H VAL 21 -10.649 -11.095 7.881 161 HA VAL 21 HA VAL 21 -11.896 -12.537 5.632 162 HB VAL 21 HB VAL 21 -10.032 -13.697 7.708 163 HG11 VAL 21 1HG1 VAL 21 -11.492 -15.013 5.419 164 HG12 VAL 21 2HG1 VAL 21 -10.253 -15.783 6.413 165 HG13 VAL 21 3HG1 VAL 21 -11.778 -15.275 7.140 166 HG21 VAL 21 1HG2 VAL 21 -8.581 -14.162 5.751 167 HG22 VAL 21 2HG2 VAL 21 -9.688 -13.226 4.749 168 HG23 VAL 21 3HG2 VAL 21 -8.807 -12.440 6.057 169 H ASP 22 H ASP 22 -11.583 -12.329 9.160 170 HA ASP 22 HA ASP 22 -14.361 -13.284 9.373 171 HB2 ASP 22 2HB ASP 22 -12.134 -13.928 11.318 172 HB3 ASP 22 3HB ASP 22 -13.803 -14.489 11.407 173 H ALA 23 H ALA 23 -15.145 -12.810 11.753 174 HA ALA 23 HA ALA 23 -15.237 -9.999 12.016 175 HB1 ALA 23 1HB ALA 23 -16.085 -12.163 13.938 176 HB2 ALA 23 2HB ALA 23 -16.479 -10.451 14.104 177 HB3 ALA 23 3HB ALA 23 -17.092 -11.367 12.729 178 H ALA 24 H ALA 24 -13.141 -12.414 13.345 179 HA ALA 24 HA ALA 24 -12.128 -10.679 15.438 180 HB1 ALA 24 1HB ALA 24 -11.518 -13.482 14.570 181 HB2 ALA 24 2HB ALA 24 -10.474 -12.628 15.707 182 HB3 ALA 24 3HB ALA 24 -12.169 -12.909 16.107 183 H THR 25 H THR 25 -11.228 -11.749 12.230 184 HA THR 25 HA THR 25 -8.545 -11.127 12.137 185 HB THR 25 HB THR 25 -10.606 -10.703 9.965 186 HG1 THR 25 HG1 THR 25 -10.104 -12.895 10.970 187 HG21 THR 25 1HG2 THR 25 -8.059 -11.326 8.906 188 HG22 THR 25 2HG2 THR 25 -7.834 -10.003 10.050 189 HG23 THR 25 3HG2 THR 25 -8.978 -9.833 8.719 190 H ALA 26 H ALA 26 -11.318 -8.958 11.846 191 HA ALA 26 HA ALA 26 -9.673 -6.646 11.335 192 HB1 ALA 26 1HB ALA 26 -12.580 -7.181 11.593 193 HB2 ALA 26 2HB ALA 26 -12.017 -5.535 11.886 194 HB3 ALA 26 3HB ALA 26 -11.693 -6.316 10.338 195 H GLU 27 H GLU 27 -11.065 -8.226 14.101 196 HA GLU 27 HA GLU 27 -10.824 -6.000 15.883 197 HB2 GLU 27 2HB GLU 27 -12.431 -7.623 16.488 198 HB3 GLU 27 3HB GLU 27 -11.293 -8.946 16.283 199 HG2 GLU 27 2HG GLU 27 -10.698 -6.884 18.334 200 HG3 GLU 27 3HG GLU 27 -11.973 -8.056 18.664 201 H LYS 28 H LYS 28 -8.789 -8.693 14.946 202 HA LYS 28 HA LYS 28 -6.824 -8.154 16.999 203 HB2 LYS 28 2HB LYS 28 -5.651 -10.036 16.176 204 HB3 LYS 28 3HB LYS 28 -7.355 -10.453 16.061 205 HG2 LYS 28 2HG LYS 28 -6.830 -11.096 13.987 206 HG3 LYS 28 3HG LYS 28 -6.917 -9.373 13.612 207 HD2 LYS 28 2HD LYS 28 -4.617 -9.129 13.596 208 HD3 LYS 28 3HD LYS 28 -4.356 -10.548 14.611 209 HE2 LYS 28 2HE LYS 28 -4.847 -12.023 12.807 210 HE3 LYS 28 3HE LYS 28 -5.421 -10.696 11.799 211 HZ1 LYS 28 1HZ LYS 28 -3.177 -11.447 11.206 212 HZ2 LYS 28 2HZ LYS 28 -2.624 -11.011 12.744 213 HZ3 LYS 28 3HZ LYS 28 -3.199 -9.824 11.686 214 H VAL 29 H VAL 29 -7.413 -7.280 13.700 215 HA VAL 29 HA VAL 29 -4.711 -6.365 13.219 216 HB VAL 29 HB VAL 29 -6.417 -7.265 11.469 217 HG11 VAL 29 1HG1 VAL 29 -7.098 -4.398 11.064 218 HG12 VAL 29 2HG1 VAL 29 -7.979 -5.848 10.581 219 HG13 VAL 29 3HG1 VAL 29 -8.007 -5.316 12.263 220 HG21 VAL 29 1HG2 VAL 29 -5.364 -5.831 9.718 221 HG22 VAL 29 2HG2 VAL 29 -4.665 -4.855 11.010 222 HG23 VAL 29 3HG2 VAL 29 -4.216 -6.553 10.847 223 H PHE 30 H PHE 30 -7.665 -5.078 14.447 224 HA PHE 30 HA PHE 30 -6.845 -2.317 14.041 225 HB2 PHE 30 2HB PHE 30 -9.329 -3.682 14.971 226 HB3 PHE 30 3HB PHE 30 -9.047 -2.027 15.501 227 HD1 PHE 30 HD1 PHE 30 -7.813 -0.800 13.173 228 HD2 PHE 30 HD2 PHE 30 -11.017 -3.591 13.404 229 HE1 PHE 30 HE1 PHE 30 -8.690 0.035 11.031 230 HE2 PHE 30 HE2 PHE 30 -11.899 -2.761 11.262 231 HZ PHE 30 HZ PHE 30 -10.735 -0.948 10.072 232 H LYS 31 H LYS 31 -6.827 -4.749 16.501 233 HA LYS 31 HA LYS 31 -6.747 -3.286 18.837 234 HB2 LYS 31 2HB LYS 31 -5.682 -5.142 19.849 235 HB3 LYS 31 3HB LYS 31 -6.684 -5.808 18.567 236 HG2 LYS 31 2HG LYS 31 -4.798 -6.974 18.142 237 HG3 LYS 31 3HG LYS 31 -4.412 -5.531 17.202 238 HD2 LYS 31 2HD LYS 31 -2.848 -4.805 18.702 239 HD3 LYS 31 3HD LYS 31 -3.662 -5.556 20.078 240 HE2 LYS 31 2HE LYS 31 -2.978 -7.785 19.011 241 HE3 LYS 31 3HE LYS 31 -1.877 -6.826 18.024 242 HZ1 LYS 31 1HZ LYS 31 -0.809 -7.710 20.022 243 HZ2 LYS 31 2HZ LYS 31 -1.906 -6.863 20.993 244 HZ3 LYS 31 3HZ LYS 31 -0.815 -6.017 20.015 245 H GLN 32 H GLN 32 -4.270 -3.678 16.399 246 HA GLN 32 HA GLN 32 -2.258 -2.365 18.027 247 HB2 GLN 32 2HB GLN 32 -1.587 -4.202 16.554 248 HB3 GLN 32 3HB GLN 32 -2.172 -3.311 15.157 249 HG2 GLN 32 2HG GLN 32 -0.474 -1.666 15.390 250 HG3 GLN 32 3HG GLN 32 0.009 -2.303 16.961 251 HE21 GLN 32 1HE2 GLN 32 0.894 -2.140 13.844 252 HE22 GLN 32 2HE2 GLN 32 1.831 -3.586 13.712 253 H TYR 33 H TYR 33 -4.417 -1.631 15.374 254 HA TYR 33 HA TYR 33 -3.231 0.824 14.608 255 HB2 TYR 33 2HB TYR 33 -5.890 -0.473 14.164 256 HB3 TYR 33 3HB TYR 33 -5.691 1.227 13.757 257 HD1 TYR 33 HD1 TYR 33 -3.519 -1.794 13.347 258 HD2 TYR 33 HD2 TYR 33 -5.460 1.501 11.482 259 HE1 TYR 33 HE1 TYR 33 -2.519 -2.432 11.193 260 HE2 TYR 33 HE2 TYR 33 -4.467 0.871 9.322 261 HH TYR 33 HH TYR 33 -3.546 -1.141 8.235 262 H PHE 34 H PHE 34 -6.005 0.073 16.704 263 HA PHE 34 HA PHE 34 -6.753 2.642 17.392 264 HB2 PHE 34 2HB PHE 34 -7.511 0.113 18.159 265 HB3 PHE 34 3HB PHE 34 -6.835 0.768 19.647 266 HD1 PHE 34 HD1 PHE 34 -9.698 0.577 17.591 267 HD2 PHE 34 HD2 PHE 34 -7.683 3.115 20.351 268 HE1 PHE 34 HE1 PHE 34 -11.797 1.793 18.002 269 HE2 PHE 34 HE2 PHE 34 -9.779 4.333 20.767 270 HZ PHE 34 HZ PHE 34 -11.840 3.672 19.592 271 H ASN 35 H ASN 35 -4.092 0.706 18.599 272 HA ASN 35 HA ASN 35 -3.417 2.129 20.885 273 HB2 ASN 35 2HB ASN 35 -2.390 -0.032 20.093 274 HB3 ASN 35 3HB ASN 35 -1.434 0.913 18.955 275 HD21 ASN 35 1HD2 ASN 35 0.493 1.515 19.613 276 HD22 ASN 35 2HD2 ASN 35 1.015 1.642 21.255 277 H ASP 36 H ASP 36 -3.038 2.971 17.547 278 HA ASP 36 HA ASP 36 -0.995 4.879 17.735 279 HB2 ASP 36 2HB ASP 36 -1.749 4.083 15.578 280 HB3 ASP 36 3HB ASP 36 -3.363 4.731 15.859 281 H ASN 37 H ASN 37 -4.400 5.046 18.505 282 HA ASN 37 HA ASN 37 -4.295 7.928 18.900 283 HB2 ASN 37 2HB ASN 37 -6.652 6.223 19.633 284 HB3 ASN 37 3HB ASN 37 -6.621 7.884 19.046 285 HD21 ASN 37 1HD2 ASN 37 -7.980 5.341 18.153 286 HD22 ASN 37 2HD2 ASN 37 -7.629 5.247 16.464 287 H GLY 38 H GLY 38 -3.963 5.028 20.709 288 HA2 GLY 38 2HA GLY 38 -3.394 4.705 22.915 289 HA3 GLY 38 3HA GLY 38 -3.245 6.449 23.071 290 H LEU 39 H LEU 39 -6.241 5.291 21.875 291 HA LEU 39 HA LEU 39 -7.459 5.738 24.521 292 HB2 LEU 39 2HB LEU 39 -7.869 7.293 22.402 293 HB3 LEU 39 3HB LEU 39 -9.063 6.048 22.044 294 HG LEU 39 HG LEU 39 -10.140 6.482 24.214 295 HD11 LEU 39 1HD1 LEU 39 -9.332 8.854 25.135 296 HD12 LEU 39 2HD1 LEU 39 -7.790 8.250 24.528 297 HD13 LEU 39 3HD1 LEU 39 -8.687 7.324 25.732 298 HD21 LEU 39 1HD2 LEU 39 -10.452 7.849 21.943 299 HD22 LEU 39 2HD2 LEU 39 -9.961 9.175 22.997 300 HD23 LEU 39 3HD2 LEU 39 -11.375 8.201 23.404 301 H ASP 40 H ASP 40 -9.619 4.650 24.769 302 HA ASP 40 HA ASP 40 -9.515 1.963 23.565 303 HB2 ASP 40 2HB ASP 40 -10.751 1.231 25.638 304 HB3 ASP 40 3HB ASP 40 -9.099 1.779 25.912 305 H GLY 41 H GLY 41 -11.036 1.694 22.074 306 HA2 GLY 41 2HA GLY 41 -13.739 2.720 22.646 307 HA3 GLY 41 3HA GLY 41 -12.998 3.006 21.078 308 H GLU 42 H GLU 42 -15.213 1.858 20.684 309 HA GLU 42 HA GLU 42 -14.660 -1.028 20.450 310 HB2 GLU 42 2HB GLU 42 -17.313 0.338 20.931 311 HB3 GLU 42 3HB GLU 42 -17.130 -1.371 20.561 312 HG2 GLU 42 2HG GLU 42 -15.410 -0.792 22.724 313 HG3 GLU 42 3HG GLU 42 -16.971 -0.054 23.076 314 H TRP 43 H TRP 43 -15.641 -2.091 18.605 315 HA TRP 43 HA TRP 43 -16.226 -0.266 16.371 316 HB2 TRP 43 2HB TRP 43 -14.851 -1.517 14.882 317 HB3 TRP 43 3HB TRP 43 -13.876 -1.209 16.316 318 HD1 TRP 43 HD1 TRP 43 -13.749 -3.370 18.103 319 HE1 TRP 43 HE1 TRP 43 -13.574 -5.878 17.553 320 HE3 TRP 43 HE3 TRP 43 -15.431 -3.260 13.277 321 HZ2 TRP 43 HZ2 TRP 43 -14.082 -7.584 15.361 322 HZ3 TRP 43 HZ3 TRP 43 -15.556 -5.374 12.023 323 HH2 TRP 43 HH2 TRP 43 -14.895 -7.489 13.046 324 H THR 44 H THR 44 -17.926 -0.809 15.123 325 HA THR 44 HA THR 44 -19.480 -3.140 15.918 326 HB THR 44 HB THR 44 -21.304 -2.184 14.653 327 HG1 THR 44 HG1 THR 44 -21.018 -0.374 13.369 328 HG21 THR 44 1HG2 THR 44 -21.547 -0.013 15.798 329 HG22 THR 44 2HG2 THR 44 -19.842 -0.072 16.243 330 HG23 THR 44 3HG2 THR 44 -20.963 -1.273 16.882 331 H TYR 45 H TYR 45 -20.373 -4.611 14.363 332 HA TYR 45 HA TYR 45 -18.705 -4.886 11.948 333 HB2 TYR 45 2HB TYR 45 -19.353 -7.387 12.215 334 HB3 TYR 45 3HB TYR 45 -18.097 -6.720 13.252 335 HD1 TYR 45 HD1 TYR 45 -21.427 -8.162 13.120 336 HD2 TYR 45 HD2 TYR 45 -18.587 -6.224 15.626 337 HE1 TYR 45 HE1 TYR 45 -22.681 -8.902 15.103 338 HE2 TYR 45 HE2 TYR 45 -19.832 -6.958 17.616 339 HH TYR 45 HH TYR 45 -21.596 -9.149 17.978 340 H ASP 46 H ASP 46 -19.986 -4.026 10.399 341 HA ASP 46 HA ASP 46 -22.706 -5.131 10.131 342 HB2 ASP 46 2HB ASP 46 -21.619 -2.439 9.288 343 HB3 ASP 46 3HB ASP 46 -23.200 -3.049 8.809 344 H ASP 47 H ASP 47 -22.048 -6.919 8.912 345 HA ASP 47 HA ASP 47 -20.425 -6.694 6.585 346 HB2 ASP 47 2HB ASP 47 -21.301 -8.781 8.130 347 HB3 ASP 47 3HB ASP 47 -22.283 -8.970 6.679 348 H ALA 48 H ALA 48 -23.795 -6.266 7.225 349 HA ALA 48 HA ALA 48 -24.932 -6.757 4.739 350 HB1 ALA 48 1HB ALA 48 -25.916 -5.943 7.083 351 HB2 ALA 48 2HB ALA 48 -25.928 -4.402 6.226 352 HB3 ALA 48 3HB ALA 48 -26.803 -5.784 5.567 353 H THR 49 H THR 49 -22.990 -4.073 5.830 354 HA THR 49 HA THR 49 -23.214 -2.878 3.144 355 HB THR 49 HB THR 49 -23.121 -0.699 3.993 356 HG1 THR 49 HG1 THR 49 -22.681 -0.350 6.290 357 HG21 THR 49 1HG2 THR 49 -25.306 -1.720 4.388 358 HG22 THR 49 2HG2 THR 49 -24.924 -0.551 5.654 359 HG23 THR 49 3HG2 THR 49 -24.769 -2.278 5.972 360 H LYS 50 H LYS 50 -21.219 -4.379 5.352 361 HA LYS 50 HA LYS 50 -18.982 -4.783 5.425 362 HB2 LYS 50 2HB LYS 50 -18.824 -3.348 2.772 363 HB3 LYS 50 3HB LYS 50 -17.683 -4.520 3.418 364 HG2 LYS 50 2HG LYS 50 -18.779 -5.993 2.155 365 HG3 LYS 50 3HG LYS 50 -20.006 -5.946 3.423 366 HD2 LYS 50 2HD LYS 50 -21.399 -4.556 2.203 367 HD3 LYS 50 3HD LYS 50 -20.079 -3.944 1.204 368 HE2 LYS 50 2HE LYS 50 -20.022 -5.882 -0.106 369 HE3 LYS 50 3HE LYS 50 -20.929 -6.818 1.081 370 HZ1 LYS 50 1HZ LYS 50 -22.458 -4.602 0.227 371 HZ2 LYS 50 2HZ LYS 50 -22.812 -6.251 0.094 372 HZ3 LYS 50 3HZ LYS 50 -21.930 -5.474 -1.123 373 H THR 51 H THR 51 -19.746 -2.692 6.921 374 HA THR 51 HA THR 51 -17.405 -0.959 6.794 375 HB THR 51 HB THR 51 -20.234 0.096 6.820 376 HG1 THR 51 HG1 THR 51 -19.741 0.283 4.771 377 HG21 THR 51 1HG2 THR 51 -17.735 1.246 7.878 378 HG22 THR 51 2HG2 THR 51 -19.412 1.616 8.277 379 HG23 THR 51 3HG2 THR 51 -18.675 2.310 6.833 380 H PHE 52 H PHE 52 -16.634 -0.405 8.767 381 HA PHE 52 HA PHE 52 -18.192 -1.312 11.094 382 HB2 PHE 52 2HB PHE 52 -15.198 -0.930 10.937 383 HB3 PHE 52 3HB PHE 52 -16.104 -1.687 12.241 384 HD1 PHE 52 HD1 PHE 52 -17.933 -3.443 10.786 385 HD2 PHE 52 HD2 PHE 52 -13.823 -2.585 10.092 386 HE1 PHE 52 HE1 PHE 52 -17.662 -5.635 9.702 387 HE2 PHE 52 HE2 PHE 52 -13.544 -4.775 9.006 388 HZ PHE 52 HZ PHE 52 -15.466 -6.303 8.809 389 H THR 53 H THR 53 -18.776 0.119 12.601 390 HA THR 53 HA THR 53 -17.953 2.899 12.252 391 HB THR 53 HB THR 53 -19.826 3.527 13.563 392 HG1 THR 53 HG1 THR 53 -20.970 2.065 14.824 393 HG21 THR 53 1HG2 THR 53 -20.629 1.131 11.907 394 HG22 THR 53 2HG2 THR 53 -20.409 2.776 11.309 395 HG23 THR 53 3HG2 THR 53 -21.706 2.418 12.448 396 H VAL 54 H VAL 54 -16.571 3.896 13.567 397 HA VAL 54 HA VAL 54 -16.080 2.775 16.239 398 HB VAL 54 HB VAL 54 -13.926 3.631 14.301 399 HG11 VAL 54 1HG1 VAL 54 -13.786 2.760 17.182 400 HG12 VAL 54 2HG1 VAL 54 -12.388 2.838 16.109 401 HG13 VAL 54 3HG1 VAL 54 -13.284 4.306 16.500 402 HG21 VAL 54 1HG2 VAL 54 -13.254 1.359 14.219 403 HG22 VAL 54 2HG2 VAL 54 -14.356 0.912 15.521 404 HG23 VAL 54 3HG2 VAL 54 -14.995 1.373 13.944 405 H THR 55 H THR 55 -15.563 4.252 17.829 406 HA THR 55 HA THR 55 -15.585 7.091 17.041 407 HB THR 55 HB THR 55 -16.735 7.381 19.383 408 HG1 THR 55 HG1 THR 55 -18.226 5.554 19.673 409 HG21 THR 55 1HG2 THR 55 -18.534 6.284 17.257 410 HG22 THR 55 2HG2 THR 55 -17.618 7.763 16.959 411 HG23 THR 55 3HG2 THR 55 -18.760 7.687 18.300 412 H GLU 56 H GLU 56 -13.494 7.625 17.363 413 HA GLU 56 HA GLU 56 -11.786 6.568 19.306 414 HB2 GLU 56 2HB GLU 56 -11.240 7.983 17.215 415 HB3 GLU 56 3HB GLU 56 -11.516 9.373 18.256 416 HG2 GLU 56 2HG GLU 56 -9.591 7.204 19.008 417 HG3 GLU 56 3HG GLU 56 -9.120 8.545 17.966 Start of MODEL 10 1 H1 MET 1 H MET 1 -10.622 -10.712 3.027 2 HA MET 1 HA MET 1 -12.651 -10.219 0.948 3 HB2 MET 1 2HB MET 1 -13.249 -11.465 3.214 4 HB3 MET 1 3HB MET 1 -13.317 -9.818 3.826 5 HG2 MET 1 2HG MET 1 -15.514 -10.439 3.191 6 HG3 MET 1 3HG MET 1 -14.924 -9.284 1.999 7 HE1 MET 1 1HE MET 1 -17.474 -11.030 0.691 8 HE2 MET 1 2HE MET 1 -16.484 -9.596 0.415 9 HE3 MET 1 3HE MET 1 -16.527 -10.883 -0.791 10 H THR 2 H THR 2 -13.677 -8.085 1.055 11 HA THR 2 HA THR 2 -11.742 -6.046 1.923 12 HB THR 2 HB THR 2 -13.890 -5.897 -0.200 13 HG1 THR 2 HG1 THR 2 -11.866 -7.060 -0.656 14 HG21 THR 2 1HG2 THR 2 -11.893 -3.812 0.687 15 HG22 THR 2 2HG2 THR 2 -13.641 -3.740 0.909 16 HG23 THR 2 3HG2 THR 2 -12.954 -3.680 -0.715 17 H PHE 3 H PHE 3 -12.276 -4.634 3.463 18 HA PHE 3 HA PHE 3 -15.075 -4.030 3.997 19 HB2 PHE 3 2HB PHE 3 -13.218 -5.348 5.967 20 HB3 PHE 3 3HB PHE 3 -14.579 -4.370 6.504 21 HD1 PHE 3 HD1 PHE 3 -13.520 -7.548 5.179 22 HD2 PHE 3 HD2 PHE 3 -16.895 -5.058 5.901 23 HE1 PHE 3 HE1 PHE 3 -15.004 -9.496 4.940 24 HE2 PHE 3 HE2 PHE 3 -18.384 -7.001 5.664 25 HZ PHE 3 HZ PHE 3 -17.439 -9.224 5.184 26 H LYS 4 H LYS 4 -15.381 -2.131 5.279 27 HA LYS 4 HA LYS 4 -12.992 -0.406 5.386 28 HB2 LYS 4 2HB LYS 4 -14.247 1.434 4.684 29 HB3 LYS 4 3HB LYS 4 -14.858 0.123 3.683 30 HG2 LYS 4 2HG LYS 4 -16.782 -0.119 5.163 31 HG3 LYS 4 3HG LYS 4 -16.166 1.183 6.183 32 HD2 LYS 4 2HD LYS 4 -17.714 2.272 4.838 33 HD3 LYS 4 3HD LYS 4 -16.190 2.577 4.000 34 HE2 LYS 4 2HE LYS 4 -16.693 1.126 2.284 35 HE3 LYS 4 3HE LYS 4 -17.796 0.170 3.272 36 HZ1 LYS 4 1HZ LYS 4 -19.486 1.358 2.519 37 HZ2 LYS 4 2HZ LYS 4 -18.439 2.205 1.496 38 HZ3 LYS 4 3HZ LYS 4 -18.777 2.802 3.043 39 H ALA 5 H ALA 5 -12.905 1.164 7.083 40 HA ALA 5 HA ALA 5 -14.757 0.766 9.315 41 HB1 ALA 5 1HB ALA 5 -11.872 0.896 10.006 42 HB2 ALA 5 2HB ALA 5 -13.204 0.103 10.847 43 HB3 ALA 5 3HB ALA 5 -12.511 -0.633 9.402 44 H ILE 6 H ILE 6 -15.559 2.742 9.607 45 HA ILE 6 HA ILE 6 -13.965 5.103 9.087 46 HB ILE 6 HB ILE 6 -16.830 4.728 9.942 47 HG12 ILE 6 2HG1 ILE 6 -17.099 5.992 7.690 48 HG13 ILE 6 3HG1 ILE 6 -15.426 5.524 7.405 49 HG21 ILE 6 1HG2 ILE 6 -15.197 7.232 9.734 50 HG22 ILE 6 2HG2 ILE 6 -16.942 7.253 9.484 51 HG23 ILE 6 3HG2 ILE 6 -16.279 6.716 11.028 52 HD11 ILE 6 1HD1 ILE 6 -16.954 3.257 8.267 53 HD12 ILE 6 2HD1 ILE 6 -17.725 4.036 6.884 54 HD13 ILE 6 3HD1 ILE 6 -16.048 3.501 6.773 55 H ILE 7 H ILE 7 -13.200 6.537 10.573 56 HA ILE 7 HA ILE 7 -13.602 5.866 13.413 57 HB ILE 7 HB ILE 7 -11.190 6.999 13.544 58 HG12 ILE 7 2HG1 ILE 7 -10.830 5.378 11.057 59 HG13 ILE 7 3HG1 ILE 7 -11.353 7.052 10.908 60 HG21 ILE 7 1HG2 ILE 7 -10.253 4.648 13.461 61 HG22 ILE 7 2HG2 ILE 7 -11.613 4.909 14.553 62 HG23 ILE 7 3HG2 ILE 7 -11.872 4.123 12.996 63 HD11 ILE 7 1HD1 ILE 7 -9.201 7.580 10.941 64 HD12 ILE 7 2HD1 ILE 7 -9.228 7.186 12.661 65 HD13 ILE 7 3HD1 ILE 7 -8.735 5.969 11.484 66 H ASN 8 H ASN 8 -13.809 7.559 14.845 67 HA ASN 8 HA ASN 8 -13.482 10.290 13.918 68 HB2 ASN 8 2HB ASN 8 -15.878 9.339 13.383 69 HB3 ASN 8 3HB ASN 8 -16.152 9.627 15.099 70 HD21 ASN 8 1HD2 ASN 8 -17.589 11.273 14.867 71 HD22 ASN 8 2HD2 ASN 8 -17.176 12.819 14.214 72 H GLY 9 H GLY 9 -13.481 11.839 15.618 73 HA2 GLY 9 2HA GLY 9 -13.499 10.713 18.340 74 HA3 GLY 9 3HA GLY 9 -12.113 11.640 17.784 75 H LYS 10 H LYS 10 -12.929 12.747 19.883 76 HA LYS 10 HA LYS 10 -15.210 14.289 20.015 77 HB2 LYS 10 2HB LYS 10 -13.449 13.947 21.809 78 HB3 LYS 10 3HB LYS 10 -12.513 15.206 21.013 79 HG2 LYS 10 2HG LYS 10 -14.629 16.648 21.285 80 HG3 LYS 10 3HG LYS 10 -15.119 15.430 22.464 81 HD2 LYS 10 2HD LYS 10 -12.406 16.689 22.619 82 HD3 LYS 10 3HD LYS 10 -13.818 17.526 23.268 83 HE2 LYS 10 2HE LYS 10 -14.142 15.972 24.929 84 HE3 LYS 10 3HE LYS 10 -13.368 14.678 24.017 85 HZ1 LYS 10 1HZ LYS 10 -11.825 15.153 25.641 86 HZ2 LYS 10 2HZ LYS 10 -12.125 16.817 25.613 87 HZ3 LYS 10 3HZ LYS 10 -11.257 16.094 24.354 88 H THR 11 H THR 11 -12.045 15.232 18.688 89 HA THR 11 HA THR 11 -13.413 17.170 16.968 90 HB THR 11 HB THR 11 -10.846 17.995 18.274 91 HG1 THR 11 HG1 THR 11 -12.463 17.447 19.919 92 HG21 THR 11 1HG2 THR 11 -13.085 19.289 16.791 93 HG22 THR 11 2HG2 THR 11 -11.343 19.511 16.622 94 HG23 THR 11 3HG2 THR 11 -12.198 20.241 17.980 95 H LEU 12 H LEU 12 -12.117 14.534 16.585 96 HA LEU 12 HA LEU 12 -10.132 15.372 14.578 97 HB2 LEU 12 2HB LEU 12 -8.693 13.636 15.102 98 HB3 LEU 12 3HB LEU 12 -9.236 14.199 16.682 99 HG LEU 12 HG LEU 12 -11.026 12.222 16.214 100 HD11 LEU 12 1HD1 LEU 12 -8.663 11.704 14.526 101 HD12 LEU 12 2HD1 LEU 12 -10.324 11.133 14.367 102 HD13 LEU 12 3HD1 LEU 12 -9.231 10.356 15.512 103 HD21 LEU 12 1HD2 LEU 12 -8.689 12.649 17.827 104 HD22 LEU 12 2HD2 LEU 12 -8.820 10.946 17.383 105 HD23 LEU 12 3HD2 LEU 12 -10.160 11.750 18.203 106 H LYS 13 H LYS 13 -10.282 14.440 12.592 107 HA LYS 13 HA LYS 13 -12.702 12.917 12.058 108 HB2 LYS 13 2HB LYS 13 -12.195 13.330 9.698 109 HB3 LYS 13 3HB LYS 13 -12.176 14.826 10.622 110 HG2 LYS 13 2HG LYS 13 -9.582 13.463 10.347 111 HG3 LYS 13 3HG LYS 13 -10.272 14.121 8.861 112 HD2 LYS 13 2HD LYS 13 -10.680 16.182 10.576 113 HD3 LYS 13 3HD LYS 13 -9.184 15.503 11.221 114 HE2 LYS 13 2HE LYS 13 -8.332 15.544 8.816 115 HE3 LYS 13 3HE LYS 13 -9.719 16.574 8.464 116 HZ1 LYS 13 1HZ LYS 13 -8.255 17.445 10.765 117 HZ2 LYS 13 2HZ LYS 13 -8.725 18.317 9.395 118 HZ3 LYS 13 3HZ LYS 13 -7.295 17.413 9.372 119 H GLY 14 H GLY 14 -12.443 11.177 10.271 120 HA2 GLY 14 2HA GLY 14 -10.002 9.703 10.183 121 HA3 GLY 14 3HA GLY 14 -11.138 8.979 11.311 122 H GLU 15 H GLU 15 -10.048 7.982 8.747 123 HA GLU 15 HA GLU 15 -12.355 6.741 7.757 124 HB2 GLU 15 2HB GLU 15 -12.320 7.808 5.445 125 HB3 GLU 15 3HB GLU 15 -13.041 8.755 6.739 126 HG2 GLU 15 2HG GLU 15 -11.313 10.271 6.781 127 HG3 GLU 15 3HG GLU 15 -10.162 9.138 6.077 128 H THR 16 H THR 16 -11.636 4.861 7.028 129 HA THR 16 HA THR 16 -9.629 4.562 5.074 130 HB THR 16 HB THR 16 -8.282 3.111 7.016 131 HG1 THR 16 HG1 THR 16 -7.844 4.870 8.571 132 HG21 THR 16 1HG2 THR 16 -7.633 4.827 5.053 133 HG22 THR 16 2HG2 THR 16 -6.486 4.294 6.283 134 HG23 THR 16 3HG2 THR 16 -7.304 5.847 6.454 135 H THR 17 H THR 17 -9.268 2.346 4.485 136 HA THR 17 HA THR 17 -11.235 0.489 5.658 137 HB THR 17 HB THR 17 -11.705 -0.442 3.522 138 HG1 THR 17 HG1 THR 17 -10.341 -0.303 1.900 139 HG21 THR 17 1HG2 THR 17 -12.356 2.135 4.142 140 HG22 THR 17 2HG2 THR 17 -13.009 1.233 2.775 141 HG23 THR 17 3HG2 THR 17 -11.642 2.321 2.541 142 H THR 18 H THR 18 -10.685 -1.858 4.904 143 HA THR 18 HA THR 18 -7.981 -2.551 4.437 144 HB THR 18 HB THR 18 -7.720 -1.747 6.764 145 HG1 THR 18 HG1 THR 18 -6.452 -3.445 7.300 146 HG21 THR 18 1HG2 THR 18 -9.570 -4.030 7.469 147 HG22 THR 18 2HG2 THR 18 -9.985 -2.318 7.560 148 HG23 THR 18 3HG2 THR 18 -8.727 -2.977 8.605 149 H GLU 19 H GLU 19 -7.726 -4.737 4.044 150 HA GLU 19 HA GLU 19 -10.155 -6.211 3.618 151 HB2 GLU 19 2HB GLU 19 -7.305 -7.159 3.288 152 HB3 GLU 19 3HB GLU 19 -8.745 -7.888 2.591 153 HG2 GLU 19 2HG GLU 19 -7.927 -5.075 1.956 154 HG3 GLU 19 3HG GLU 19 -7.292 -6.461 1.071 155 H ALA 20 H ALA 20 -10.814 -8.105 4.605 156 HA ALA 20 HA ALA 20 -9.278 -9.108 6.876 157 HB1 ALA 20 1HB ALA 20 -12.127 -8.148 7.118 158 HB2 ALA 20 2HB ALA 20 -11.239 -9.033 8.360 159 HB3 ALA 20 3HB ALA 20 -10.706 -7.424 7.871 160 H VAL 21 H VAL 21 -10.407 -11.093 7.828 161 HA VAL 21 HA VAL 21 -11.569 -12.663 5.620 162 HB VAL 21 HB VAL 21 -9.864 -13.627 7.921 163 HG11 VAL 21 1HG1 VAL 21 -11.124 -15.156 5.647 164 HG12 VAL 21 2HG1 VAL 21 -9.963 -15.817 6.799 165 HG13 VAL 21 3HG1 VAL 21 -11.547 -15.277 7.353 166 HG21 VAL 21 1HG2 VAL 21 -9.293 -13.481 4.962 167 HG22 VAL 21 2HG2 VAL 21 -8.589 -12.447 6.205 168 HG23 VAL 21 3HG2 VAL 21 -8.228 -14.173 6.185 169 H ASP 22 H ASP 22 -11.604 -12.145 9.123 170 HA ASP 22 HA ASP 22 -14.395 -13.044 9.157 171 HB2 ASP 22 2HB ASP 22 -12.553 -14.748 10.032 172 HB3 ASP 22 3HB ASP 22 -12.681 -13.765 11.488 173 H ALA 23 H ALA 23 -15.240 -12.594 11.560 174 HA ALA 23 HA ALA 23 -15.246 -9.785 11.845 175 HB1 ALA 23 1HB ALA 23 -17.116 -11.277 12.497 176 HB2 ALA 23 2HB ALA 23 -16.153 -11.826 13.869 177 HB3 ALA 23 3HB ALA 23 -16.653 -10.138 13.762 178 H ALA 24 H ALA 24 -13.237 -12.265 13.170 179 HA ALA 24 HA ALA 24 -12.233 -10.597 15.321 180 HB1 ALA 24 1HB ALA 24 -12.328 -12.836 15.945 181 HB2 ALA 24 2HB ALA 24 -11.668 -13.394 14.407 182 HB3 ALA 24 3HB ALA 24 -10.622 -12.587 15.575 183 H THR 25 H THR 25 -11.236 -11.697 12.137 184 HA THR 25 HA THR 25 -8.555 -11.072 12.130 185 HB THR 25 HB THR 25 -10.530 -10.656 9.878 186 HG1 THR 25 HG1 THR 25 -10.156 -12.839 10.894 187 HG21 THR 25 1HG2 THR 25 -7.765 -9.979 10.061 188 HG22 THR 25 2HG2 THR 25 -8.845 -9.842 8.673 189 HG23 THR 25 3HG2 THR 25 -7.943 -11.332 8.944 190 H ALA 26 H ALA 26 -11.313 -8.904 11.771 191 HA ALA 26 HA ALA 26 -9.658 -6.598 11.263 192 HB1 ALA 26 1HB ALA 26 -11.642 -6.225 10.237 193 HB2 ALA 26 2HB ALA 26 -12.559 -7.150 11.426 194 HB3 ALA 26 3HB ALA 26 -12.037 -5.507 11.799 195 H GLU 27 H GLU 27 -11.102 -8.153 14.016 196 HA GLU 27 HA GLU 27 -10.871 -5.908 15.781 197 HB2 GLU 27 2HB GLU 27 -12.522 -7.481 16.379 198 HB3 GLU 27 3HB GLU 27 -11.421 -8.837 16.186 199 HG2 GLU 27 2HG GLU 27 -10.818 -6.787 18.254 200 HG3 GLU 27 3HG GLU 27 -12.096 -7.962 18.560 201 H LYS 28 H LYS 28 -8.864 -8.639 14.904 202 HA LYS 28 HA LYS 28 -6.940 -8.134 17.003 203 HB2 LYS 28 2HB LYS 28 -5.665 -9.962 15.974 204 HB3 LYS 28 3HB LYS 28 -7.337 -10.427 16.261 205 HG2 LYS 28 2HG LYS 28 -7.045 -11.248 14.157 206 HG3 LYS 28 3HG LYS 28 -7.642 -9.630 13.774 207 HD2 LYS 28 2HD LYS 28 -5.695 -9.011 12.848 208 HD3 LYS 28 3HD LYS 28 -4.742 -9.760 14.130 209 HE2 LYS 28 2HE LYS 28 -6.110 -11.399 12.019 210 HE3 LYS 28 3HE LYS 28 -4.515 -10.696 11.752 211 HZ1 LYS 28 1HZ LYS 28 -4.836 -13.094 12.771 212 HZ2 LYS 28 2HZ LYS 28 -4.920 -12.215 14.214 213 HZ3 LYS 28 3HZ LYS 28 -3.549 -12.096 13.230 214 H VAL 29 H VAL 29 -7.435 -7.238 13.694 215 HA VAL 29 HA VAL 29 -4.708 -6.358 13.289 216 HB VAL 29 HB VAL 29 -6.339 -7.249 11.483 217 HG11 VAL 29 1HG1 VAL 29 -7.122 -4.339 11.440 218 HG12 VAL 29 2HG1 VAL 29 -7.700 -5.620 10.371 219 HG13 VAL 29 3HG1 VAL 29 -8.139 -5.630 12.080 220 HG21 VAL 29 1HG2 VAL 29 -5.329 -5.261 9.940 221 HG22 VAL 29 2HG2 VAL 29 -4.292 -5.144 11.363 222 HG23 VAL 29 3HG2 VAL 29 -4.410 -6.667 10.481 223 H PHE 30 H PHE 30 -7.707 -5.030 14.383 224 HA PHE 30 HA PHE 30 -6.820 -2.282 14.026 225 HB2 PHE 30 2HB PHE 30 -9.368 -3.600 14.856 226 HB3 PHE 30 3HB PHE 30 -9.082 -1.937 15.355 227 HD1 PHE 30 HD1 PHE 30 -7.715 -0.801 13.048 228 HD2 PHE 30 HD2 PHE 30 -10.991 -3.513 13.218 229 HE1 PHE 30 HE1 PHE 30 -8.478 -0.009 10.848 230 HE2 PHE 30 HE2 PHE 30 -11.760 -2.726 11.017 231 HZ PHE 30 HZ PHE 30 -10.503 -0.972 9.829 232 H LYS 31 H LYS 31 -6.876 -4.726 16.449 233 HA LYS 31 HA LYS 31 -6.937 -3.306 18.812 234 HB2 LYS 31 2HB LYS 31 -5.869 -5.152 19.837 235 HB3 LYS 31 3HB LYS 31 -6.790 -5.822 18.496 236 HG2 LYS 31 2HG LYS 31 -4.852 -6.923 18.141 237 HG3 LYS 31 3HG LYS 31 -4.465 -5.451 17.247 238 HD2 LYS 31 2HD LYS 31 -2.596 -5.584 18.544 239 HD3 LYS 31 3HD LYS 31 -3.631 -4.673 19.647 240 HE2 LYS 31 2HE LYS 31 -2.616 -6.427 20.901 241 HE3 LYS 31 3HE LYS 31 -4.311 -6.854 20.671 242 HZ1 LYS 31 1HZ LYS 31 -3.778 -8.497 19.159 243 HZ2 LYS 31 2HZ LYS 31 -2.517 -8.631 20.277 244 HZ3 LYS 31 3HZ LYS 31 -2.258 -7.845 18.801 245 H GLN 32 H GLN 32 -4.354 -3.575 16.473 246 HA GLN 32 HA GLN 32 -2.444 -2.248 18.211 247 HB2 GLN 32 2HB GLN 32 -2.354 -3.615 15.586 248 HB3 GLN 32 3HB GLN 32 -1.202 -2.307 15.817 249 HG2 GLN 32 2HG GLN 32 -0.810 -3.610 18.108 250 HG3 GLN 32 3HG GLN 32 -1.350 -4.958 17.109 251 HE21 GLN 32 1HE2 GLN 32 1.165 -4.955 18.132 252 HE22 GLN 32 2HE2 GLN 32 2.320 -4.719 16.870 253 H TYR 33 H TYR 33 -4.633 -1.471 15.632 254 HA TYR 33 HA TYR 33 -3.452 1.032 14.934 255 HB2 TYR 33 2HB TYR 33 -6.023 -0.359 14.321 256 HB3 TYR 33 3HB TYR 33 -5.907 1.370 14.009 257 HD1 TYR 33 HD1 TYR 33 -5.825 -1.566 12.372 258 HD2 TYR 33 HD2 TYR 33 -3.336 1.839 12.928 259 HE1 TYR 33 HE1 TYR 33 -4.715 -2.034 10.227 260 HE2 TYR 33 HE2 TYR 33 -2.219 1.381 10.786 261 HH TYR 33 HH TYR 33 -1.845 -0.387 9.246 262 H PHE 34 H PHE 34 -6.223 0.085 16.946 263 HA PHE 34 HA PHE 34 -7.132 2.599 17.665 264 HB2 PHE 34 2HB PHE 34 -7.203 -0.084 18.981 265 HB3 PHE 34 3HB PHE 34 -7.725 1.324 19.901 266 HD1 PHE 34 HD1 PHE 34 -8.207 -0.006 16.444 267 HD2 PHE 34 HD2 PHE 34 -9.983 1.671 19.929 268 HE1 PHE 34 HE1 PHE 34 -10.420 -0.136 15.375 269 HE2 PHE 34 HE2 PHE 34 -12.198 1.542 18.867 270 HZ PHE 34 HZ PHE 34 -12.420 0.638 16.587 271 H ASN 35 H ASN 35 -4.402 0.774 18.889 272 HA ASN 35 HA ASN 35 -3.873 2.222 21.217 273 HB2 ASN 35 2HB ASN 35 -2.779 0.062 20.450 274 HB3 ASN 35 3HB ASN 35 -1.757 1.049 19.410 275 HD21 ASN 35 1HD2 ASN 35 0.104 1.660 20.228 276 HD22 ASN 35 2HD2 ASN 35 0.493 1.766 21.909 277 H ASP 36 H ASP 36 -3.431 3.052 17.896 278 HA ASP 36 HA ASP 36 -1.389 4.908 17.971 279 HB2 ASP 36 2HB ASP 36 -2.729 4.105 15.953 280 HB3 ASP 36 3HB ASP 36 -3.925 5.323 16.390 281 H ASN 37 H ASN 37 -4.835 5.426 18.662 282 HA ASN 37 HA ASN 37 -4.432 8.186 19.360 283 HB2 ASN 37 2HB ASN 37 -6.562 7.762 18.479 284 HB3 ASN 37 3HB ASN 37 -6.778 6.308 19.450 285 HD21 ASN 37 1HD2 ASN 37 -7.778 6.456 21.356 286 HD22 ASN 37 2HD2 ASN 37 -8.288 7.933 22.093 287 H GLY 38 H GLY 38 -4.254 5.169 20.988 288 HA2 GLY 38 2HA GLY 38 -3.226 4.944 23.116 289 HA3 GLY 38 3HA GLY 38 -3.720 6.586 23.498 290 H LEU 39 H LEU 39 -6.396 5.425 22.172 291 HA LEU 39 HA LEU 39 -7.384 4.243 24.684 292 HB2 LEU 39 2HB LEU 39 -8.085 6.671 23.965 293 HB3 LEU 39 3HB LEU 39 -9.187 5.805 22.897 294 HG LEU 39 HG LEU 39 -10.076 4.639 24.951 295 HD11 LEU 39 1HD1 LEU 39 -9.406 5.166 27.041 296 HD12 LEU 39 2HD1 LEU 39 -9.058 6.845 26.627 297 HD13 LEU 39 3HD1 LEU 39 -7.905 5.577 26.212 298 HD21 LEU 39 1HD2 LEU 39 -11.691 6.118 24.592 299 HD22 LEU 39 2HD2 LEU 39 -10.537 7.300 23.973 300 HD23 LEU 39 3HD2 LEU 39 -10.872 7.217 25.703 301 H ASP 40 H ASP 40 -8.725 2.498 24.537 302 HA ASP 40 HA ASP 40 -9.177 1.433 21.827 303 HB2 ASP 40 2HB ASP 40 -8.388 0.137 24.394 304 HB3 ASP 40 3HB ASP 40 -9.400 -0.782 23.282 305 H GLY 41 H GLY 41 -11.165 2.692 21.773 306 HA2 GLY 41 2HA GLY 41 -13.263 2.299 23.633 307 HA3 GLY 41 3HA GLY 41 -13.435 2.950 22.010 308 H GLU 42 H GLU 42 -14.615 1.797 20.641 309 HA GLU 42 HA GLU 42 -14.560 -1.099 20.707 310 HB2 GLU 42 2HB GLU 42 -16.877 -1.445 21.089 311 HB3 GLU 42 3HB GLU 42 -16.323 -0.373 22.366 312 HG2 GLU 42 2HG GLU 42 -17.121 1.472 20.633 313 HG3 GLU 42 3HG GLU 42 -18.165 0.151 20.112 314 H TRP 43 H TRP 43 -15.526 -2.068 18.838 315 HA TRP 43 HA TRP 43 -16.084 -0.182 16.649 316 HB2 TRP 43 2HB TRP 43 -14.734 -1.403 15.131 317 HB3 TRP 43 3HB TRP 43 -13.754 -1.205 16.581 318 HD1 TRP 43 HD1 TRP 43 -13.721 -3.452 18.262 319 HE1 TRP 43 HE1 TRP 43 -13.646 -5.935 17.593 320 HE3 TRP 43 HE3 TRP 43 -15.379 -3.044 13.443 321 HZ2 TRP 43 HZ2 TRP 43 -14.214 -7.513 15.322 322 HZ3 TRP 43 HZ3 TRP 43 -15.584 -5.089 12.089 323 HH2 TRP 43 HH2 TRP 43 -15.012 -7.277 13.011 324 H THR 44 H THR 44 -17.613 -0.815 15.146 325 HA THR 44 HA THR 44 -19.297 -3.064 15.985 326 HB THR 44 HB THR 44 -21.081 -2.059 14.694 327 HG1 THR 44 HG1 THR 44 -20.681 -0.641 13.169 328 HG21 THR 44 1HG2 THR 44 -19.738 0.187 16.185 329 HG22 THR 44 2HG2 THR 44 -20.498 -1.179 17.001 330 HG23 THR 44 3HG2 THR 44 -21.464 -0.110 15.985 331 H TYR 45 H TYR 45 -20.113 -4.564 14.460 332 HA TYR 45 HA TYR 45 -18.492 -4.780 12.008 333 HB2 TYR 45 2HB TYR 45 -19.022 -7.307 12.299 334 HB3 TYR 45 3HB TYR 45 -17.764 -6.581 13.294 335 HD1 TYR 45 HD1 TYR 45 -21.031 -8.167 13.270 336 HD2 TYR 45 HD2 TYR 45 -18.200 -6.099 15.681 337 HE1 TYR 45 HE1 TYR 45 -22.189 -8.952 15.293 338 HE2 TYR 45 HE2 TYR 45 -19.350 -6.880 17.711 339 HH TYR 45 HH TYR 45 -21.006 -8.102 18.534 340 H ASP 46 H ASP 46 -19.869 -3.954 10.515 341 HA ASP 46 HA ASP 46 -22.547 -5.167 10.333 342 HB2 ASP 46 2HB ASP 46 -21.681 -2.549 9.099 343 HB3 ASP 46 3HB ASP 46 -23.321 -3.175 9.247 344 H ASP 47 H ASP 47 -21.917 -6.961 9.126 345 HA ASP 47 HA ASP 47 -20.341 -6.781 6.767 346 HB2 ASP 47 2HB ASP 47 -21.205 -8.837 8.360 347 HB3 ASP 47 3HB ASP 47 -22.205 -9.047 6.926 348 H ALA 48 H ALA 48 -23.698 -6.325 7.453 349 HA ALA 48 HA ALA 48 -24.915 -6.866 5.034 350 HB1 ALA 48 1HB ALA 48 -26.079 -6.190 7.117 351 HB2 ALA 48 2HB ALA 48 -25.565 -4.529 6.823 352 HB3 ALA 48 3HB ALA 48 -26.646 -5.331 5.684 353 H THR 49 H THR 49 -22.923 -4.132 5.947 354 HA THR 49 HA THR 49 -23.088 -3.161 3.169 355 HB THR 49 HB THR 49 -24.223 -1.512 4.449 356 HG1 THR 49 HG1 THR 49 -22.724 0.270 4.261 357 HG21 THR 49 1HG2 THR 49 -22.346 -0.561 6.319 358 HG22 THR 49 2HG2 THR 49 -22.403 -2.312 6.518 359 HG23 THR 49 3HG2 THR 49 -23.882 -1.362 6.646 360 H LYS 50 H LYS 50 -21.156 -4.514 5.481 361 HA LYS 50 HA LYS 50 -18.918 -4.871 5.664 362 HB2 LYS 50 2HB LYS 50 -18.734 -3.582 2.937 363 HB3 LYS 50 3HB LYS 50 -17.539 -4.635 3.686 364 HG2 LYS 50 2HG LYS 50 -18.539 -6.172 2.373 365 HG3 LYS 50 3HG LYS 50 -19.637 -6.281 3.750 366 HD2 LYS 50 2HD LYS 50 -21.302 -5.070 2.682 367 HD3 LYS 50 3HD LYS 50 -20.169 -4.311 1.561 368 HE2 LYS 50 2HE LYS 50 -20.278 -7.227 1.350 369 HE3 LYS 50 3HE LYS 50 -21.805 -6.428 0.980 370 HZ1 LYS 50 1HZ LYS 50 -19.948 -4.931 -0.331 371 HZ2 LYS 50 2HZ LYS 50 -20.948 -6.102 -1.031 372 HZ3 LYS 50 3HZ LYS 50 -19.382 -6.512 -0.541 373 H THR 51 H THR 51 -19.688 -2.779 7.087 374 HA THR 51 HA THR 51 -17.423 -0.948 6.846 375 HB THR 51 HB THR 51 -20.298 -0.042 7.054 376 HG1 THR 51 HG1 THR 51 -19.674 -0.268 4.929 377 HG21 THR 51 1HG2 THR 51 -18.929 2.258 6.949 378 HG22 THR 51 2HG2 THR 51 -17.764 1.278 7.841 379 HG23 THR 51 3HG2 THR 51 -19.397 1.496 8.469 380 H PHE 52 H PHE 52 -16.656 -0.179 8.783 381 HA PHE 52 HA PHE 52 -18.007 -1.197 11.196 382 HB2 PHE 52 2HB PHE 52 -15.046 -0.675 10.938 383 HB3 PHE 52 3HB PHE 52 -15.880 -1.545 12.221 384 HD1 PHE 52 HD1 PHE 52 -17.642 -3.326 10.708 385 HD2 PHE 52 HD2 PHE 52 -13.595 -2.211 9.997 386 HE1 PHE 52 HE1 PHE 52 -17.271 -5.445 9.513 387 HE2 PHE 52 HE2 PHE 52 -13.219 -4.327 8.801 388 HZ PHE 52 HZ PHE 52 -15.058 -5.947 8.556 389 H THR 53 H THR 53 -18.602 0.244 12.682 390 HA THR 53 HA THR 53 -17.867 3.041 12.277 391 HB THR 53 HB THR 53 -19.718 3.636 13.632 392 HG1 THR 53 HG1 THR 53 -19.688 2.305 15.359 393 HG21 THR 53 1HG2 THR 53 -20.608 1.171 12.134 394 HG22 THR 53 2HG2 THR 53 -20.261 2.722 11.370 395 HG23 THR 53 3HG2 THR 53 -21.579 2.587 12.535 396 H VAL 54 H VAL 54 -16.555 4.148 13.593 397 HA VAL 54 HA VAL 54 -15.894 3.012 16.222 398 HB VAL 54 HB VAL 54 -13.875 4.072 14.240 399 HG11 VAL 54 1HG1 VAL 54 -12.318 3.100 16.107 400 HG12 VAL 54 2HG1 VAL 54 -12.978 4.730 16.253 401 HG13 VAL 54 3HG1 VAL 54 -13.716 3.397 17.140 402 HG21 VAL 54 1HG2 VAL 54 -13.034 1.856 14.087 403 HG22 VAL 54 2HG2 VAL 54 -14.077 1.298 15.396 404 HG23 VAL 54 3HG2 VAL 54 -14.778 1.754 13.842 405 H THR 55 H THR 55 -15.435 4.492 17.829 406 HA THR 55 HA THR 55 -15.352 7.328 17.166 407 HB THR 55 HB THR 55 -17.079 7.567 19.186 408 HG1 THR 55 HG1 THR 55 -17.591 5.036 18.019 409 HG21 THR 55 1HG2 THR 55 -18.056 6.967 16.396 410 HG22 THR 55 2HG2 THR 55 -17.238 8.466 16.837 411 HG23 THR 55 3HG2 THR 55 -18.780 8.049 17.585 412 H GLU 56 H GLU 56 -14.257 8.557 18.645 413 HA GLU 56 HA GLU 56 -13.074 7.088 20.905 414 HB2 GLU 56 2HB GLU 56 -11.697 8.203 18.931 415 HB3 GLU 56 3HB GLU 56 -11.905 9.646 19.914 416 HG2 GLU 56 2HG GLU 56 -9.788 8.495 20.359 417 HG3 GLU 56 3HG GLU 56 -10.820 8.589 21.784
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