NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
473332 | 2joj | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA LEU 25 HA LEU 25 15.760 -2.057 5.172 2 HG LEU 25 HG LEU 25 12.396 -1.613 3.580 3 H1 LEU 25 1HT LEU 25 15.895 -0.805 7.232 4 H2 LEU 25 2HT LEU 25 14.315 -1.318 6.927 5 H3 LEU 25 3HT LEU 25 14.736 0.296 6.661 6 HB2 LEU 25 2HB LEU 25 13.955 0.219 4.321 7 HB3 LEU 25 1HB LEU 25 14.625 -0.979 3.239 8 HD11 LEU 25 1HD1 LEU 25 13.935 -3.478 3.707 9 HD12 LEU 25 2HD1 LEU 25 12.521 -3.750 4.726 10 HD13 LEU 25 3HD1 LEU 25 14.055 -3.277 5.455 11 HD21 LEU 25 1HD2 LEU 25 12.829 -1.282 6.541 12 HD22 LEU 25 2HD2 LEU 25 11.356 -1.865 5.769 13 HD23 LEU 25 3HD2 LEU 25 11.897 -0.210 5.493 14 H SER 26 H SER 26 16.945 -1.299 3.167 15 HA SER 26 HA SER 26 18.607 1.021 3.731 16 HG SER 26 HG SER 26 19.068 -1.704 3.516 17 HB2 SER 26 2HB SER 26 18.644 -0.716 1.250 18 HB3 SER 26 1HB SER 26 19.909 0.370 1.814 19 H GLU 27 H GLU 27 18.838 2.680 1.967 20 HA GLU 27 HA GLU 27 16.214 3.689 1.528 21 HB2 GLU 27 2HB GLU 27 18.846 4.835 0.611 22 HB3 GLU 27 1HB GLU 27 17.313 5.692 0.739 23 HG2 GLU 27 2HG GLU 27 18.675 4.402 3.073 24 HG3 GLU 27 1HG GLU 27 18.945 6.081 2.610 25 H GLU 28 H GLU 28 18.646 2.173 -0.488 26 HA GLU 28 HA GLU 28 17.536 2.781 -3.012 27 HB2 GLU 28 2HB GLU 28 18.686 0.698 -3.777 28 HB3 GLU 28 1HB GLU 28 19.732 1.778 -2.866 29 HG2 GLU 28 2HG GLU 28 19.539 0.396 -0.907 30 HG3 GLU 28 1HG GLU 28 18.347 -0.635 -1.705 31 H GLN 29 H GLN 29 16.838 0.331 -0.643 32 HA GLN 29 HA GLN 29 15.059 -1.251 -2.150 33 HB2 GLN 29 2HB GLN 29 15.061 -0.900 0.841 34 HB3 GLN 29 1HB GLN 29 14.657 -2.340 -0.092 35 HG2 GLN 29 2HG GLN 29 17.007 -2.492 -0.816 36 HG3 GLN 29 1HG GLN 29 17.369 -1.109 0.214 37 HE21 GLN 29 1HE2 GLN 29 18.357 -3.872 0.259 38 HE22 GLN 29 2HE2 GLN 29 18.043 -4.444 1.871 39 H LYS 30 H LYS 30 14.656 1.340 0.192 40 HA LYS 30 HA LYS 30 11.842 1.247 0.309 41 HB2 LYS 30 2HB LYS 30 12.012 3.041 1.699 42 HB3 LYS 30 1HB LYS 30 13.656 2.442 1.834 43 HG2 LYS 30 2HG LYS 30 14.129 4.083 -0.074 44 HG3 LYS 30 1HG LYS 30 12.607 4.836 0.404 45 HD2 LYS 30 2HD LYS 30 14.909 4.270 2.250 46 HD3 LYS 30 1HD LYS 30 14.566 5.845 1.527 47 HE2 LYS 30 2HE LYS 30 12.385 5.851 2.661 48 HE3 LYS 30 1HE LYS 30 12.774 4.294 3.393 49 HZ1 LYS 30 1HZ LYS 30 14.849 5.557 4.239 50 HZ2 LYS 30 2HZ LYS 30 13.363 5.759 5.031 51 HZ3 LYS 30 3HZ LYS 30 13.913 6.944 3.953 52 H GLN 31 H GLN 31 14.107 3.037 -1.651 53 HA GLN 31 HA GLN 31 12.441 4.768 -2.995 54 HB2 GLN 31 2HB GLN 31 14.889 3.319 -3.971 55 HB3 GLN 31 1HB GLN 31 14.054 4.519 -4.944 56 HG2 GLN 31 2HG GLN 31 15.392 4.936 -2.288 57 HG3 GLN 31 1HG GLN 31 15.906 5.560 -3.854 58 HE21 GLN 31 1HE2 GLN 31 14.726 7.253 -4.804 59 HE22 GLN 31 2HE2 GLN 31 13.682 8.268 -3.865 60 H GLU 32 H GLU 32 13.046 1.344 -3.799 61 HA GLU 32 HA GLU 32 11.513 1.172 -6.123 62 HB2 GLU 32 2HB GLU 32 11.671 -0.891 -3.916 63 HB3 GLU 32 1HB GLU 32 11.193 -1.193 -5.576 64 HG2 GLU 32 2HG GLU 32 13.447 -0.617 -6.326 65 HG3 GLU 32 1HG GLU 32 13.919 -0.319 -4.653 66 H ILE 33 H ILE 33 10.612 0.922 -2.765 67 HA ILE 33 HA ILE 33 7.847 0.419 -3.149 68 HB ILE 33 HB ILE 33 9.536 1.249 -0.807 69 HG12 ILE 33 2HG1 ILE 33 8.060 -1.304 -1.464 70 HG13 ILE 33 1HG1 ILE 33 9.790 -1.037 -1.653 71 HG21 ILE 33 1HG2 ILE 33 7.377 2.239 -0.423 72 HG22 ILE 33 2HG2 ILE 33 7.624 0.867 0.658 73 HG23 ILE 33 3HG2 ILE 33 6.582 0.699 -0.758 74 HD11 ILE 33 1HD1 ILE 33 8.272 -1.015 0.942 75 HD12 ILE 33 2HD1 ILE 33 10.006 -0.748 0.758 76 HD13 ILE 33 3HD1 ILE 33 9.306 -2.314 0.347 77 H LYS 34 H LYS 34 9.736 3.318 -2.397 78 HA LYS 34 HA LYS 34 7.399 4.922 -2.012 79 HB2 LYS 34 2HB LYS 34 9.376 5.406 -0.724 80 HB3 LYS 34 1HB LYS 34 10.309 5.682 -2.192 81 HG2 LYS 34 2HG LYS 34 9.358 7.716 -2.586 82 HG3 LYS 34 1HG LYS 34 7.861 7.302 -1.749 83 HD2 LYS 34 2HD LYS 34 9.100 8.954 -0.487 84 HD3 LYS 34 1HD LYS 34 9.037 7.418 0.382 85 HE2 LYS 34 2HE LYS 34 11.286 6.894 -0.258 86 HE3 LYS 34 1HE LYS 34 11.358 8.289 -1.333 87 HZ1 LYS 34 1HZ LYS 34 12.504 8.648 0.793 88 HZ2 LYS 34 2HZ LYS 34 11.032 8.449 1.614 89 HZ3 LYS 34 3HZ LYS 34 11.237 9.750 0.547 90 H GLU 35 H GLU 35 9.564 4.320 -4.712 91 HA GLU 35 HA GLU 35 8.777 6.485 -6.312 92 HB2 GLU 35 2HB GLU 35 10.624 4.892 -6.873 93 HB3 GLU 35 1HB GLU 35 9.410 3.679 -7.255 94 HG2 GLU 35 2HG GLU 35 8.531 5.101 -9.026 95 HG3 GLU 35 1HG GLU 35 9.738 6.329 -8.641 96 H ALA 36 H ALA 36 7.349 3.333 -5.716 97 HA ALA 36 HA ALA 36 5.071 3.714 -7.372 98 HB1 ALA 36 1HB ALA 36 5.779 1.497 -6.625 99 HB2 ALA 36 2HB ALA 36 4.116 1.833 -6.146 100 HB3 ALA 36 3HB ALA 36 5.415 1.940 -4.957 101 H PHE 37 H PHE 37 5.822 4.451 -3.975 102 HA PHE 37 HA PHE 37 3.189 5.078 -3.203 103 HD1 PHE 37 1HD PHE 37 2.720 4.355 -0.902 104 HD2 PHE 37 2HD PHE 37 5.019 7.920 -0.581 105 HE1 PHE 37 1HE PHE 37 1.260 5.126 0.908 106 HE2 PHE 37 2HE PHE 37 3.559 8.700 1.231 107 HZ PHE 37 HZ PHE 37 1.672 7.303 1.985 108 HB2 PHE 37 2HB PHE 37 5.193 4.613 -1.708 109 HB3 PHE 37 1HB PHE 37 5.700 6.270 -2.029 110 H ASP 38 H ASP 38 5.872 7.122 -4.341 111 HA ASP 38 HA ASP 38 4.518 9.587 -4.257 112 HB2 ASP 38 2HB ASP 38 6.799 8.603 -5.975 113 HB3 ASP 38 1HB ASP 38 6.172 10.239 -6.104 114 H LEU 39 H LEU 39 4.498 6.980 -6.547 115 HA LEU 39 HA LEU 39 3.210 8.402 -8.660 116 HG LEU 39 HG LEU 39 1.638 5.611 -9.510 117 HB2 LEU 39 2HB LEU 39 4.514 6.476 -9.203 118 HB3 LEU 39 1HB LEU 39 3.619 5.475 -8.079 119 HD11 LEU 39 1HD1 LEU 39 1.795 6.596 -11.742 120 HD12 LEU 39 2HD1 LEU 39 3.401 7.212 -11.354 121 HD13 LEU 39 3HD1 LEU 39 1.993 7.808 -10.476 122 HD21 LEU 39 1HD2 LEU 39 2.522 4.303 -11.400 123 HD22 LEU 39 2HD2 LEU 39 3.174 3.779 -9.848 124 HD23 LEU 39 3HD2 LEU 39 4.157 4.766 -10.930 125 H PHE 40 H PHE 40 2.097 6.130 -6.161 126 HA PHE 40 HA PHE 40 -0.612 6.278 -7.111 127 HD1 PHE 40 1HD PHE 40 -0.725 4.483 -8.101 128 HD2 PHE 40 2HD PHE 40 1.519 2.906 -4.847 129 HE1 PHE 40 1HE PHE 40 0.019 2.622 -9.524 130 HE2 PHE 40 2HE PHE 40 2.270 1.044 -6.267 131 HZ PHE 40 HZ PHE 40 1.523 0.904 -8.608 132 HB2 PHE 40 2HB PHE 40 0.504 4.974 -4.626 133 HB3 PHE 40 1HB PHE 40 -1.135 4.780 -5.241 134 H ASP 41 H ASP 41 1.285 8.016 -4.813 135 HA ASP 41 HA ASP 41 -0.840 9.097 -3.279 136 HB2 ASP 41 2HB ASP 41 1.383 9.324 -2.430 137 HB3 ASP 41 1HB ASP 41 1.940 10.111 -3.900 138 H THR 42 H THR 42 -2.481 9.615 -4.602 139 HA THR 42 HA THR 42 -2.058 11.742 -6.590 140 HB THR 42 HB THR 42 -4.352 11.098 -7.391 141 HG1 THR 42 1HG THR 42 -4.147 9.412 -5.193 142 HG21 THR 42 1HG2 THR 42 -2.305 8.876 -7.379 143 HG22 THR 42 2HG2 THR 42 -2.332 10.246 -8.489 144 HG23 THR 42 3HG2 THR 42 -3.633 9.055 -8.527 145 H ASN 43 H ASN 43 -3.569 10.868 -3.626 146 HA ASN 43 HA ASN 43 -5.339 13.071 -3.364 147 HB2 ASN 43 2HB ASN 43 -5.407 10.928 -2.044 148 HB3 ASN 43 1HB ASN 43 -3.977 11.478 -1.179 149 HD21 ASN 43 1HD2 ASN 43 -4.172 13.046 0.366 150 HD22 ASN 43 2HD2 ASN 43 -5.701 13.604 0.963 151 H LYS 44 H LYS 44 -1.958 12.626 -3.001 152 HA LYS 44 HA LYS 44 -0.246 14.083 -2.795 153 HB2 LYS 44 2HB LYS 44 -1.581 15.521 -4.305 154 HB3 LYS 44 1HB LYS 44 -2.365 16.239 -2.906 155 HG2 LYS 44 2HG LYS 44 -0.210 17.118 -2.153 156 HG3 LYS 44 1HG LYS 44 0.569 16.395 -3.564 157 HD2 LYS 44 2HD LYS 44 0.163 18.722 -4.016 158 HD3 LYS 44 1HD LYS 44 -0.922 17.753 -5.013 159 HE2 LYS 44 2HE LYS 44 -2.220 19.532 -4.159 160 HE3 LYS 44 1HE LYS 44 -2.673 18.102 -3.234 161 HZ1 LYS 44 1HZ LYS 44 -2.389 19.997 -1.789 162 HZ2 LYS 44 2HZ LYS 44 -0.810 20.241 -2.354 163 HZ3 LYS 44 3HZ LYS 44 -1.181 18.853 -1.456 164 H THR 45 H THR 45 0.050 13.184 -0.696 165 HA THR 45 HA THR 45 0.232 15.241 1.275 166 HB THR 45 HB THR 45 -2.093 14.763 1.679 167 HG1 THR 45 1HG THR 45 -0.171 14.045 3.559 168 HG21 THR 45 1HG2 THR 45 -1.296 11.880 2.080 169 HG22 THR 45 2HG2 THR 45 -2.177 12.517 0.692 170 HG23 THR 45 3HG2 THR 45 -2.910 12.558 2.296 171 H GLY 46 H GLY 46 1.121 12.271 -0.017 172 HA2 GLY 46 2HA GLY 46 2.930 10.925 0.538 173 HA3 GLY 46 1HA GLY 46 3.214 11.943 1.947 174 H SER 47 H SER 47 0.113 10.649 1.310 175 HA SER 47 HA SER 47 0.385 8.362 3.075 176 HG SER 47 HG SER 47 0.969 10.338 4.388 177 HB2 SER 47 2HB SER 47 -1.593 10.589 3.684 178 HB3 SER 47 1HB SER 47 -1.396 9.086 4.582 179 H ILE 48 H ILE 48 -1.122 6.807 2.538 180 HA ILE 48 HA ILE 48 -2.480 7.456 0.021 181 HB ILE 48 HB ILE 48 -0.657 5.804 -0.097 182 HG12 ILE 48 2HG1 ILE 48 -3.104 4.187 -0.579 183 HG13 ILE 48 1HG1 ILE 48 -2.967 5.733 -1.423 184 HG21 ILE 48 1HG2 ILE 48 -2.408 4.133 1.665 185 HG22 ILE 48 2HG2 ILE 48 -0.851 4.840 2.099 186 HG23 ILE 48 3HG2 ILE 48 -0.938 3.589 0.857 187 HD11 ILE 48 1HD1 ILE 48 -1.002 3.457 -1.546 188 HD12 ILE 48 2HD1 ILE 48 -0.812 5.020 -2.344 189 HD13 ILE 48 3HD1 ILE 48 -2.132 3.945 -2.812 190 H ASP 49 H ASP 49 -4.579 6.990 -0.314 191 HA ASP 49 HA ASP 49 -6.131 6.040 2.008 192 HB2 ASP 49 2HB ASP 49 -6.730 8.247 1.035 193 HB3 ASP 49 1HB ASP 49 -7.052 7.472 -0.511 194 H TYR 50 H TYR 50 -8.011 4.577 1.488 195 HA TYR 50 HA TYR 50 -7.204 2.343 -0.029 196 HD1 TYR 50 1HD TYR 50 -11.262 2.420 -0.862 197 HD2 TYR 50 2HD TYR 50 -9.921 4.078 2.820 198 HE1 TYR 50 1HE TYR 50 -13.360 3.682 -0.673 199 HE2 TYR 50 2HE TYR 50 -12.020 5.347 3.016 200 HH TYR 50 HH TYR 50 -13.819 6.177 1.616 201 HB2 TYR 50 2HB TYR 50 -9.402 1.411 0.401 202 HB3 TYR 50 1HB TYR 50 -8.791 2.182 1.856 203 H HIS 51 H HIS 51 -8.891 5.223 -0.873 204 HA HIS 51 HA HIS 51 -10.037 4.541 -3.326 205 HD1 HIS 51 1HD HIS 51 -11.676 7.702 -4.269 206 HD2 HIS 51 2HD HIS 51 -7.605 7.408 -5.076 207 HE1 HIS 51 1HE HIS 51 -11.329 8.863 -6.469 208 HE2 HIS 51 2HE HIS 51 -8.834 8.870 -6.815 209 HB2 HIS 51 2HB HIS 51 -10.418 6.712 -2.375 210 HB3 HIS 51 1HB HIS 51 -8.696 7.066 -2.335 211 H GLU 52 H GLU 52 -6.715 5.298 -2.461 212 HA GLU 52 HA GLU 52 -5.849 5.193 -5.247 213 HB2 GLU 52 2HB GLU 52 -4.190 5.720 -2.782 214 HB3 GLU 52 1HB GLU 52 -3.795 6.125 -4.448 215 HG2 GLU 52 2HG GLU 52 -5.453 7.809 -4.527 216 HG3 GLU 52 1HG GLU 52 -6.146 7.292 -2.990 217 H LEU 53 H LEU 53 -5.853 3.298 -2.373 218 HA LEU 53 HA LEU 53 -3.652 1.642 -2.765 219 HG LEU 53 HG LEU 53 -5.044 -1.065 -2.006 220 HB2 LEU 53 2HB LEU 53 -4.885 1.644 -0.682 221 HB3 LEU 53 1HB LEU 53 -6.314 1.026 -1.487 222 HD11 LEU 53 1HD1 LEU 53 -2.784 -0.169 -1.840 223 HD12 LEU 53 2HD1 LEU 53 -3.012 -1.531 -0.745 224 HD13 LEU 53 3HD1 LEU 53 -3.014 0.115 -0.113 225 HD21 LEU 53 1HD2 LEU 53 -5.319 -0.336 0.904 226 HD22 LEU 53 2HD2 LEU 53 -5.219 -1.972 0.252 227 HD23 LEU 53 3HD2 LEU 53 -6.598 -0.947 -0.144 228 H LYS 54 H LYS 54 -6.697 1.700 -4.417 229 HA LYS 54 HA LYS 54 -6.912 -0.972 -5.198 230 HB2 LYS 54 2HB LYS 54 -7.754 1.428 -6.823 231 HB3 LYS 54 1HB LYS 54 -8.393 -0.205 -6.951 232 HG2 LYS 54 2HG LYS 54 -9.348 -0.040 -4.741 233 HG3 LYS 54 1HG LYS 54 -8.649 1.569 -4.535 234 HD2 LYS 54 2HD LYS 54 -9.962 2.303 -6.533 235 HD3 LYS 54 1HD LYS 54 -10.762 0.730 -6.516 236 HE2 LYS 54 2HE LYS 54 -10.761 2.721 -4.258 237 HE3 LYS 54 1HE LYS 54 -12.085 2.472 -5.395 238 HZ1 LYS 54 1HZ LYS 54 -11.014 0.402 -3.556 239 HZ2 LYS 54 2HZ LYS 54 -12.330 0.217 -4.603 240 HZ3 LYS 54 3HZ LYS 54 -12.429 1.292 -3.291 241 H VAL 55 H VAL 55 -5.307 1.725 -6.854 242 HA VAL 55 HA VAL 55 -4.393 -0.028 -8.958 243 HB VAL 55 HB VAL 55 -3.307 1.920 -9.910 244 HG11 VAL 55 1HG1 VAL 55 -6.048 2.590 -8.836 245 HG12 VAL 55 2HG1 VAL 55 -5.702 1.658 -10.294 246 HG13 VAL 55 3HG1 VAL 55 -5.265 3.364 -10.216 247 HG21 VAL 55 1HG2 VAL 55 -4.097 3.347 -7.376 248 HG22 VAL 55 2HG2 VAL 55 -3.397 4.108 -8.805 249 HG23 VAL 55 3HG2 VAL 55 -2.456 2.941 -7.874 250 H ALA 56 H ALA 56 -3.288 1.117 -5.914 251 HA ALA 56 HA ALA 56 -0.508 0.648 -6.264 252 HB1 ALA 56 1HB ALA 56 -2.170 0.691 -3.749 253 HB2 ALA 56 2HB ALA 56 -1.327 2.062 -4.469 254 HB3 ALA 56 3HB ALA 56 -0.407 0.710 -3.808 255 H MET 57 H MET 57 -3.071 -1.255 -4.679 256 HA MET 57 HA MET 57 -1.435 -3.490 -4.175 257 HB2 MET 57 2HB MET 57 -3.548 -4.717 -3.786 258 HB3 MET 57 1HB MET 57 -3.434 -3.213 -2.892 259 HG2 MET 57 2HG MET 57 -5.637 -3.330 -3.649 260 HG3 MET 57 1HG MET 57 -4.847 -2.182 -4.726 261 HE1 MET 57 1HE MET 57 -6.118 -5.919 -4.363 262 HE2 MET 57 2HE MET 57 -4.395 -6.017 -4.723 263 HE3 MET 57 3HE MET 57 -5.582 -6.573 -5.910 264 H ARG 58 H ARG 58 -3.221 -2.474 -6.925 265 HA ARG 58 HA ARG 58 -3.203 -4.861 -8.416 266 HE ARG 58 HE ARG 58 -2.465 -1.649 -11.905 267 HB2 ARG 58 2HB ARG 58 -4.488 -2.769 -8.975 268 HB3 ARG 58 1HB ARG 58 -2.973 -2.045 -9.495 269 HG2 ARG 58 2HG ARG 58 -2.736 -3.859 -11.163 270 HG3 ARG 58 1HG ARG 58 -4.331 -4.447 -10.692 271 HD2 ARG 58 2HD ARG 58 -4.637 -3.116 -12.632 272 HD3 ARG 58 1HD ARG 58 -5.220 -2.163 -11.266 273 HH11 ARG 58 1HH1 ARG 58 -5.787 -0.822 -12.728 274 HH12 ARG 58 2HH1 ARG 58 -5.352 0.715 -13.419 275 HH21 ARG 58 1HH2 ARG 58 -1.918 0.385 -12.801 276 HH22 ARG 58 2HH2 ARG 58 -3.178 1.394 -13.458 277 H ALA 59 H ALA 59 -0.964 -2.092 -8.429 278 HA ALA 59 HA ALA 59 0.927 -3.173 -10.189 279 HB1 ALA 59 1HB ALA 59 1.402 -1.199 -7.964 280 HB2 ALA 59 2HB ALA 59 0.831 -0.798 -9.584 281 HB3 ALA 59 3HB ALA 59 2.446 -1.473 -9.358 282 H LEU 60 H LEU 60 0.662 -3.381 -6.670 283 HA LEU 60 HA LEU 60 2.981 -4.878 -6.179 284 HG LEU 60 HG LEU 60 3.222 -4.351 -3.806 285 HB2 LEU 60 2HB LEU 60 0.384 -4.466 -4.810 286 HB3 LEU 60 1HB LEU 60 1.330 -5.857 -4.320 287 HD11 LEU 60 1HD1 LEU 60 2.841 -1.952 -3.636 288 HD12 LEU 60 2HD1 LEU 60 1.239 -2.149 -4.347 289 HD13 LEU 60 3HD1 LEU 60 2.679 -2.505 -5.302 290 HD21 LEU 60 1HD2 LEU 60 1.654 -5.101 -2.106 291 HD22 LEU 60 2HD2 LEU 60 0.629 -3.703 -2.430 292 HD23 LEU 60 3HD2 LEU 60 2.247 -3.476 -1.761 293 H GLY 61 H GLY 61 -0.363 -5.968 -6.696 294 HA2 GLY 61 2HA GLY 61 -0.745 -7.697 -8.320 295 HA3 GLY 61 1HA GLY 61 0.763 -8.439 -7.831 296 H PHE 62 H PHE 62 -2.428 -7.550 -6.529 297 HA PHE 62 HA PHE 62 -2.540 -10.267 -5.383 298 HD1 PHE 62 2HD PHE 62 -1.506 -10.268 -2.859 299 HD2 PHE 62 1HD PHE 62 -2.627 -6.228 -3.560 300 HE1 PHE 62 2HE PHE 62 0.407 -9.507 -1.515 301 HE2 PHE 62 1HE PHE 62 -0.729 -5.455 -2.223 302 HZ PHE 62 HZ PHE 62 0.801 -7.092 -1.190 303 HB2 PHE 62 2HB PHE 62 -4.025 -7.908 -4.223 304 HB3 PHE 62 1HB PHE 62 -3.875 -9.517 -3.544 305 H ASP 63 H ASP 63 -5.081 -10.595 -4.831 306 HA ASP 63 HA ASP 63 -6.720 -9.554 -7.015 307 HB2 ASP 63 2HB ASP 63 -5.654 -11.709 -7.783 308 HB3 ASP 63 1HB ASP 63 -6.513 -12.525 -6.483 309 H VAL 64 H VAL 64 -8.128 -8.523 -5.710 310 HA VAL 64 HA VAL 64 -9.432 -10.102 -3.592 311 HB VAL 64 HB VAL 64 -9.441 -8.091 -2.143 312 HG11 VAL 64 1HG1 VAL 64 -7.774 -9.829 -1.803 313 HG12 VAL 64 2HG1 VAL 64 -7.094 -8.237 -1.465 314 HG13 VAL 64 3HG1 VAL 64 -6.710 -9.056 -2.979 315 HG21 VAL 64 1HG2 VAL 64 -7.516 -6.974 -4.178 316 HG22 VAL 64 2HG2 VAL 64 -7.981 -6.221 -2.651 317 HG23 VAL 64 3HG2 VAL 64 -9.176 -6.429 -3.935 318 H LYS 65 H LYS 65 -9.796 -7.709 -6.076 319 HA LYS 65 HA LYS 65 -11.566 -6.587 -6.935 320 HB2 LYS 65 2HB LYS 65 -13.010 -8.765 -5.462 321 HB3 LYS 65 1HB LYS 65 -13.908 -7.462 -6.222 322 HG2 LYS 65 2HG LYS 65 -13.902 -8.727 -8.041 323 HG3 LYS 65 1HG LYS 65 -12.209 -8.282 -8.221 324 HD2 LYS 65 2HD LYS 65 -12.904 -10.584 -6.462 325 HD3 LYS 65 1HD LYS 65 -12.980 -10.805 -8.209 326 HE2 LYS 65 2HE LYS 65 -10.576 -9.773 -6.714 327 HE3 LYS 65 1HE LYS 65 -10.800 -11.450 -7.213 328 HZ1 LYS 65 1HZ LYS 65 -9.443 -10.317 -8.812 329 HZ2 LYS 65 2HZ LYS 65 -10.596 -9.086 -9.003 330 HZ3 LYS 65 3HZ LYS 65 -10.944 -10.663 -9.526 331 H LYS 66 H LYS 66 -13.924 -5.674 -5.969 332 HA LYS 66 HA LYS 66 -13.066 -3.514 -4.410 333 HB2 LYS 66 2HB LYS 66 -14.902 -3.260 -5.917 334 HB3 LYS 66 1HB LYS 66 -15.836 -4.490 -5.080 335 HG2 LYS 66 2HG LYS 66 -16.111 -3.066 -3.171 336 HG3 LYS 66 1HG LYS 66 -15.018 -1.862 -3.858 337 HD2 LYS 66 2HD LYS 66 -16.560 -1.406 -5.646 338 HD3 LYS 66 1HD LYS 66 -17.606 -2.731 -5.140 339 HE2 LYS 66 2HE LYS 66 -16.995 -0.297 -3.472 340 HE3 LYS 66 1HE LYS 66 -18.436 -0.489 -4.469 341 HZ1 LYS 66 1HZ LYS 66 -18.922 -2.530 -3.148 342 HZ2 LYS 66 2HZ LYS 66 -19.011 -1.086 -2.268 343 HZ3 LYS 66 3HZ LYS 66 -17.662 -2.100 -2.096 344 HA PRO 67 HA PRO 67 -15.732 -5.420 -0.731 345 HB2 PRO 67 2HB PRO 67 -15.161 -8.298 -1.228 346 HB3 PRO 67 1HB PRO 67 -16.625 -7.530 -0.603 347 HG2 PRO 67 2HG PRO 67 -16.542 -8.442 -3.096 348 HG3 PRO 67 1HG PRO 67 -17.366 -6.919 -2.715 349 HD2 PRO 67 2HD PRO 67 -14.694 -7.368 -3.976 350 HD3 PRO 67 1HD PRO 67 -15.925 -6.143 -4.345 351 H GLU 68 H GLU 68 -12.948 -7.379 -1.814 352 HA GLU 68 HA GLU 68 -11.998 -7.550 0.915 353 HB2 GLU 68 2HB GLU 68 -10.743 -8.589 -1.626 354 HB3 GLU 68 1HB GLU 68 -10.273 -9.009 0.016 355 HG2 GLU 68 2HG GLU 68 -12.931 -9.612 -1.254 356 HG3 GLU 68 1HG GLU 68 -11.609 -10.759 -1.036 357 H ILE 69 H ILE 69 -11.658 -5.286 -1.544 358 HA ILE 69 HA ILE 69 -8.828 -4.835 -1.155 359 HB ILE 69 HB ILE 69 -10.084 -4.572 -3.365 360 HG12 ILE 69 2HG1 ILE 69 -8.296 -2.278 -2.582 361 HG13 ILE 69 1HG1 ILE 69 -7.705 -3.916 -2.861 362 HG21 ILE 69 1HG2 ILE 69 -10.907 -2.315 -3.862 363 HG22 ILE 69 2HG2 ILE 69 -10.698 -1.877 -2.165 364 HG23 ILE 69 3HG2 ILE 69 -11.871 -3.112 -2.619 365 HD11 ILE 69 1HD1 ILE 69 -7.368 -2.667 -4.846 366 HD12 ILE 69 2HD1 ILE 69 -9.034 -2.091 -4.840 367 HD13 ILE 69 3HD1 ILE 69 -8.691 -3.795 -5.143 368 H LEU 70 H LEU 70 -11.825 -3.134 -0.251 369 HA LEU 70 HA LEU 70 -10.264 -1.074 1.022 370 HG LEU 70 HG LEU 70 -14.550 -0.897 1.201 371 HB2 LEU 70 2HB LEU 70 -12.277 -0.029 1.704 372 HB3 LEU 70 1HB LEU 70 -12.509 -0.568 0.061 373 HD11 LEU 70 1HD1 LEU 70 -13.975 -2.708 -0.283 374 HD12 LEU 70 2HD1 LEU 70 -14.905 -3.303 1.093 375 HD13 LEU 70 3HD1 LEU 70 -13.158 -3.554 1.033 376 HD21 LEU 70 1HD2 LEU 70 -13.731 -0.788 3.495 377 HD22 LEU 70 2HD2 LEU 70 -13.048 -2.409 3.331 378 HD23 LEU 70 3HD2 LEU 70 -14.798 -2.175 3.261 379 H GLU 71 H GLU 71 -11.891 -4.037 1.939 380 HA GLU 71 HA GLU 71 -11.524 -3.683 4.738 381 HB2 GLU 71 2HB GLU 71 -13.155 -5.288 3.767 382 HB3 GLU 71 1HB GLU 71 -11.813 -6.261 3.178 383 HG2 GLU 71 2HG GLU 71 -12.821 -7.116 5.266 384 HG3 GLU 71 1HG GLU 71 -11.102 -6.753 5.405 385 H LEU 72 H LEU 72 -9.566 -4.745 2.107 386 HA LEU 72 HA LEU 72 -7.576 -6.137 3.396 387 HG LEU 72 HG LEU 72 -5.464 -6.415 2.026 388 HB2 LEU 72 2HB LEU 72 -7.793 -5.855 0.939 389 HB3 LEU 72 1HB LEU 72 -7.258 -4.197 1.104 390 HD11 LEU 72 1HD1 LEU 72 -4.504 -6.516 -0.227 391 HD12 LEU 72 2HD1 LEU 72 -5.780 -5.451 -0.818 392 HD13 LEU 72 3HD1 LEU 72 -6.182 -7.062 -0.219 393 HD21 LEU 72 1HD2 LEU 72 -4.849 -4.094 2.507 394 HD22 LEU 72 2HD2 LEU 72 -4.978 -3.703 0.791 395 HD23 LEU 72 3HD2 LEU 72 -3.732 -4.821 1.351 396 H MET 73 H MET 73 -7.682 -2.653 2.694 397 HA MET 73 HA MET 73 -5.391 -2.160 4.322 398 HB2 MET 73 2HB MET 73 -5.636 0.142 3.810 399 HB3 MET 73 1HB MET 73 -6.016 -0.748 2.348 400 HG2 MET 73 2HG MET 73 -7.587 0.956 2.423 401 HG3 MET 73 1HG MET 73 -8.460 -0.457 3.004 402 HE1 MET 73 1HE MET 73 -6.155 2.462 4.418 403 HE2 MET 73 2HE MET 73 -5.832 1.022 5.391 404 HE3 MET 73 3HE MET 73 -6.643 2.413 6.115 405 H ASN 74 H ASN 74 -8.806 -2.309 4.838 406 HA ASN 74 HA ASN 74 -8.928 -0.618 7.098 407 HB2 ASN 74 2HB ASN 74 -10.827 -1.681 5.578 408 HB3 ASN 74 1HB ASN 74 -10.828 -2.901 6.848 409 HD21 ASN 74 1HD2 ASN 74 -10.117 0.499 7.238 410 HD22 ASN 74 2HD2 ASN 74 -11.495 0.879 8.214 411 H GLU 75 H GLU 75 -8.644 -4.154 6.780 412 HA GLU 75 HA GLU 75 -8.407 -4.901 9.392 413 HB2 GLU 75 2HB GLU 75 -6.753 -5.863 7.062 414 HB3 GLU 75 1HB GLU 75 -6.782 -6.643 8.636 415 HG2 GLU 75 2HG GLU 75 -9.327 -6.770 8.280 416 HG3 GLU 75 1HG GLU 75 -8.944 -6.463 6.585 417 H TYR 76 H TYR 76 -5.688 -3.603 7.415 418 HA TYR 76 HA TYR 76 -4.073 -3.609 9.858 419 HD1 TYR 76 2HD TYR 76 -2.277 -0.938 7.384 420 HD2 TYR 76 1HD TYR 76 -3.736 -4.500 5.574 421 HE1 TYR 76 2HE TYR 76 -2.158 0.140 5.176 422 HE2 TYR 76 1HE TYR 76 -3.610 -3.435 3.366 423 HH TYR 76 HH TYR 76 -1.986 -0.499 2.826 424 HB2 TYR 76 2HB TYR 76 -2.132 -3.245 8.489 425 HB3 TYR 76 1HB TYR 76 -3.089 -4.540 7.805 426 H ASP 77 H ASP 77 -6.160 -1.568 8.557 427 HA ASP 77 HA ASP 77 -5.023 0.910 8.254 428 HB2 ASP 77 2HB ASP 77 -7.231 0.761 7.604 429 HB3 ASP 77 1HB ASP 77 -7.724 -0.040 9.083 430 H ARG 78 H ARG 78 -4.859 2.724 9.490 431 HA ARG 78 HA ARG 78 -3.762 2.277 12.121 432 HE ARG 78 HE ARG 78 -4.975 6.730 11.332 433 HB2 ARG 78 2HB ARG 78 -3.312 4.800 11.847 434 HB3 ARG 78 1HB ARG 78 -2.488 3.707 10.740 435 HG2 ARG 78 2HG ARG 78 -3.733 4.358 8.938 436 HG3 ARG 78 1HG ARG 78 -5.123 4.806 9.925 437 HD2 ARG 78 2HD ARG 78 -2.533 6.345 9.831 438 HD3 ARG 78 1HD ARG 78 -3.959 6.727 8.864 439 HH11 ARG 78 1HH1 ARG 78 -2.130 8.262 9.980 440 HH12 ARG 78 2HH1 ARG 78 -2.129 9.575 11.130 441 HH21 ARG 78 1HH2 ARG 78 -4.992 8.463 12.838 442 HH22 ARG 78 2HH2 ARG 78 -3.759 9.684 12.744 443 H GLU 79 H GLU 79 -4.237 4.685 13.332 444 HA GLU 79 HA GLU 79 -7.045 4.587 14.051 445 HB2 GLU 79 2HB GLU 79 -6.370 6.501 15.593 446 HB3 GLU 79 1HB GLU 79 -5.601 4.951 15.900 447 HG2 GLU 79 2HG GLU 79 -4.261 6.993 14.178 448 HG3 GLU 79 1HG GLU 79 -4.176 7.107 15.938 449 H GLY 80 H GLY 80 -7.344 5.124 11.600 450 HA2 GLY 80 2HA GLY 80 -8.047 7.942 11.491 451 HA3 GLY 80 1HA GLY 80 -6.833 7.436 10.326 452 H ASN 81 H ASN 81 -7.778 4.896 9.771 453 HA ASN 81 HA ASN 81 -9.194 3.715 8.529 454 HB2 ASN 81 2HB ASN 81 -10.938 4.148 10.141 455 HB3 ASN 81 1HB ASN 81 -11.254 5.732 9.438 456 HD21 ASN 81 1HD2 ASN 81 -12.514 5.894 7.639 457 HD22 ASN 81 2HD2 ASN 81 -13.351 4.550 6.939 458 H GLY 82 H GLY 82 -8.893 3.652 6.454 459 HA2 GLY 82 2HA GLY 82 -9.542 4.315 4.247 460 HA3 GLY 82 1HA GLY 82 -9.712 5.965 4.835 461 H TYR 83 H TYR 83 -7.410 6.466 6.100 462 HA TYR 83 HA TYR 83 -5.455 6.280 3.918 463 HD1 TYR 83 1HD TYR 83 -7.879 9.047 5.405 464 HD2 TYR 83 2HD TYR 83 -4.497 8.981 2.831 465 HE1 TYR 83 1HE TYR 83 -9.034 10.561 3.851 466 HE2 TYR 83 2HE TYR 83 -5.639 10.483 1.269 467 HH TYR 83 HH TYR 83 -7.812 11.242 0.688 468 HB2 TYR 83 2HB TYR 83 -5.673 8.249 6.177 469 HB3 TYR 83 1HB TYR 83 -4.325 8.176 5.059 470 H ILE 84 H ILE 84 -3.196 6.338 4.579 471 HA ILE 84 HA ILE 84 -2.482 5.124 7.109 472 HB ILE 84 HB ILE 84 -1.112 3.413 5.583 473 HG12 ILE 84 2HG1 ILE 84 -3.543 4.163 4.002 474 HG13 ILE 84 1HG1 ILE 84 -1.869 4.023 3.472 475 HG21 ILE 84 1HG2 ILE 84 -2.821 1.718 6.068 476 HG22 ILE 84 2HG2 ILE 84 -3.976 2.997 6.444 477 HG23 ILE 84 3HG2 ILE 84 -2.543 2.776 7.451 478 HD11 ILE 84 1HD1 ILE 84 -1.988 1.624 3.679 479 HD12 ILE 84 2HD1 ILE 84 -3.254 2.235 2.615 480 HD13 ILE 84 3HD1 ILE 84 -3.650 1.744 4.264 481 H GLY 85 H GLY 85 -0.062 4.843 7.211 482 HA2 GLY 85 2HA GLY 85 1.183 7.096 5.795 483 HA3 GLY 85 1HA GLY 85 1.753 6.391 7.303 484 H PHE 86 H PHE 86 3.521 6.812 5.287 485 HA PHE 86 HA PHE 86 3.814 4.856 3.357 486 HD1 PHE 86 1HD PHE 86 5.095 5.036 1.471 487 HD2 PHE 86 2HD PHE 86 8.113 5.698 4.386 488 HE1 PHE 86 1HE PHE 86 6.741 3.983 -0.005 489 HE2 PHE 86 2HE PHE 86 9.772 4.647 2.917 490 HZ PHE 86 HZ PHE 86 9.091 3.784 0.708 491 HB2 PHE 86 2HB PHE 86 5.103 6.951 3.416 492 HB3 PHE 86 1HB PHE 86 5.983 6.373 4.828 493 H ASP 87 H ASP 87 4.866 4.858 6.723 494 HA ASP 87 HA ASP 87 6.424 2.523 6.638 495 HB2 ASP 87 2HB ASP 87 6.436 4.127 8.521 496 HB3 ASP 87 1HB ASP 87 4.816 3.600 8.965 497 H ASP 88 H ASP 88 2.963 3.018 6.998 498 HA ASP 88 HA ASP 88 2.376 0.322 7.771 499 HB2 ASP 88 2HB ASP 88 0.552 2.470 6.654 500 HB3 ASP 88 1HB ASP 88 0.021 0.955 7.378 501 H PHE 89 H PHE 89 2.736 2.049 4.792 502 HA PHE 89 HA PHE 89 1.491 0.033 3.149 503 HD1 PHE 89 2HD PHE 89 0.545 0.670 0.630 504 HD2 PHE 89 1HD PHE 89 4.504 2.210 0.815 505 HE1 PHE 89 2HE PHE 89 0.878 0.087 -1.733 506 HE2 PHE 89 1HE PHE 89 4.851 1.632 -1.536 507 HZ PHE 89 HZ PHE 89 3.035 0.572 -2.830 508 HB2 PHE 89 2HB PHE 89 1.346 2.313 2.408 509 HB3 PHE 89 1HB PHE 89 3.083 2.540 2.586 510 H LEU 90 H LEU 90 4.599 0.843 4.365 511 HA LEU 90 HA LEU 90 6.232 -0.433 2.457 512 HG LEU 90 HG LEU 90 8.231 0.660 2.630 513 HB2 LEU 90 2HB LEU 90 6.610 1.202 4.554 514 HB3 LEU 90 1HB LEU 90 7.137 -0.309 5.249 515 HD11 LEU 90 1HD1 LEU 90 8.594 2.472 4.187 516 HD12 LEU 90 2HD1 LEU 90 10.114 1.631 3.879 517 HD13 LEU 90 3HD1 LEU 90 9.239 1.350 5.385 518 HD21 LEU 90 1HD2 LEU 90 8.631 -1.670 3.266 519 HD22 LEU 90 2HD2 LEU 90 9.350 -1.128 4.785 520 HD23 LEU 90 3HD2 LEU 90 10.124 -0.735 3.248 521 H ASP 91 H ASP 91 4.819 -1.517 5.513 522 HA ASP 91 HA ASP 91 6.182 -4.006 5.623 523 HB2 ASP 91 2HB ASP 91 5.169 -2.902 7.553 524 HB3 ASP 91 1HB ASP 91 3.571 -3.213 6.908 525 H ILE 92 H ILE 92 3.923 -2.925 3.569 526 HA ILE 92 HA ILE 92 2.510 -5.449 3.109 527 HB ILE 92 HB ILE 92 2.312 -2.682 1.958 528 HG12 ILE 92 2HG1 ILE 92 1.764 -3.096 4.380 529 HG13 ILE 92 1HG1 ILE 92 0.494 -2.352 3.409 530 HG21 ILE 92 1HG2 ILE 92 0.194 -3.422 0.955 531 HG22 ILE 92 2HG2 ILE 92 0.486 -5.054 1.557 532 HG23 ILE 92 3HG2 ILE 92 1.559 -4.357 0.343 533 HD11 ILE 92 1HD1 ILE 92 0.671 -5.258 4.159 534 HD12 ILE 92 2HD1 ILE 92 -0.626 -4.508 3.228 535 HD13 ILE 92 3HD1 ILE 92 -0.381 -4.062 4.918 536 H MET 93 H MET 93 4.408 -3.030 1.347 537 HA MET 93 HA MET 93 4.917 -4.744 -0.847 538 HB2 MET 93 2HB MET 93 6.330 -2.287 0.166 539 HB3 MET 93 1HB MET 93 6.820 -3.137 -1.296 540 HG2 MET 93 2HG MET 93 4.323 -2.816 -1.972 541 HG3 MET 93 1HG MET 93 4.361 -1.538 -0.760 542 HE1 MET 93 1HE MET 93 7.212 -2.764 -3.167 543 HE2 MET 93 2HE MET 93 7.019 -1.653 -4.523 544 HE3 MET 93 3HE MET 93 5.760 -2.836 -4.165 545 H THR 94 H THR 94 6.243 -4.389 2.343 546 HA THR 94 HA THR 94 8.276 -6.406 1.677 547 HB THR 94 HB THR 94 8.988 -6.200 4.043 548 HG1 THR 94 1HG THR 94 7.311 -3.950 4.263 549 HG21 THR 94 1HG2 THR 94 10.022 -4.814 2.317 550 HG22 THR 94 2HG2 THR 94 9.908 -3.932 3.842 551 HG23 THR 94 3HG2 THR 94 8.765 -3.597 2.538 552 H GLU 95 H GLU 95 5.053 -6.392 2.482 553 HA GLU 95 HA GLU 95 4.907 -8.389 4.458 554 HB2 GLU 95 2HB GLU 95 3.002 -6.938 3.940 555 HB3 GLU 95 1HB GLU 95 2.852 -7.709 2.362 556 HG2 GLU 95 2HG GLU 95 2.045 -9.675 3.253 557 HG3 GLU 95 1HG GLU 95 2.750 -9.371 4.839 558 H LYS 96 H LYS 96 4.316 -8.548 0.990 559 HA LYS 96 HA LYS 96 3.738 -11.276 1.085 560 HB2 LYS 96 2HB LYS 96 3.838 -11.076 -1.466 561 HB3 LYS 96 1HB LYS 96 2.656 -10.102 -0.608 562 HG2 LYS 96 2HG LYS 96 3.622 -8.728 -2.275 563 HG3 LYS 96 1HG LYS 96 4.276 -8.198 -0.724 564 HD2 LYS 96 2HD LYS 96 6.175 -9.926 -1.332 565 HD3 LYS 96 1HD LYS 96 5.613 -9.608 -2.973 566 HE2 LYS 96 2HE LYS 96 6.275 -7.400 -1.055 567 HE3 LYS 96 1HE LYS 96 7.506 -8.163 -2.056 568 HZ1 LYS 96 1HZ LYS 96 6.285 -7.515 -4.033 569 HZ2 LYS 96 2HZ LYS 96 6.638 -6.155 -3.084 570 HZ3 LYS 96 3HZ LYS 96 5.069 -6.806 -3.086 571 H ILE 97 H ILE 97 6.762 -9.709 0.997 572 HA ILE 97 HA ILE 97 8.059 -12.074 -0.129 573 HB ILE 97 HB ILE 97 10.193 -10.678 0.168 574 HG12 ILE 97 2HG1 ILE 97 9.468 -8.164 -0.272 575 HG13 ILE 97 1HG1 ILE 97 8.094 -8.643 0.721 576 HG21 ILE 97 1HG2 ILE 97 8.111 -9.918 -1.862 577 HG22 ILE 97 2HG2 ILE 97 9.242 -11.268 -1.969 578 HG23 ILE 97 3HG2 ILE 97 9.841 -9.610 -2.006 579 HD11 ILE 97 1HD1 ILE 97 9.841 -7.631 2.063 580 HD12 ILE 97 2HD1 ILE 97 10.991 -8.846 1.499 581 HD13 ILE 97 3HD1 ILE 97 9.614 -9.329 2.493 582 H LYS 98 H LYS 98 8.031 -10.149 2.858 583 HA LYS 98 HA LYS 98 9.920 -11.770 4.195 584 HB2 LYS 98 2HB LYS 98 9.805 -9.791 5.277 585 HB3 LYS 98 1HB LYS 98 8.135 -9.522 4.830 586 HG2 LYS 98 2HG LYS 98 8.788 -11.518 6.937 587 HG3 LYS 98 1HG LYS 98 8.808 -9.797 7.319 588 HD2 LYS 98 2HD LYS 98 6.497 -11.447 6.315 589 HD3 LYS 98 1HD LYS 98 6.634 -10.600 7.857 590 HE2 LYS 98 2HE LYS 98 6.590 -9.264 5.150 591 HE3 LYS 98 1HE LYS 98 5.176 -9.457 6.198 592 HZ1 LYS 98 1HZ LYS 98 7.608 -7.831 6.728 593 HZ2 LYS 98 2HZ LYS 98 6.484 -8.217 7.933 594 HZ3 LYS 98 3HZ LYS 98 6.003 -7.294 6.603 595 H ASN 99 H ASN 99 6.428 -11.813 3.884 596 HA ASN 99 HA ASN 99 6.548 -14.591 4.849 597 HB2 ASN 99 2HB ASN 99 5.061 -13.116 6.253 598 HB3 ASN 99 1HB ASN 99 4.073 -12.839 4.821 599 HD21 ASN 99 1HD2 ASN 99 2.773 -14.497 4.037 600 HD22 ASN 99 2HD2 ASN 99 2.444 -15.928 4.951 601 H ARG 100 H ARG 100 7.394 -14.761 2.633 602 HA ARG 100 HA ARG 100 5.558 -14.338 0.461 603 HE ARG 100 HE ARG 100 9.206 -16.942 -1.764 604 HB2 ARG 100 2HB ARG 100 7.361 -15.265 -0.954 605 HB3 ARG 100 1HB ARG 100 7.874 -13.914 0.042 606 HG2 ARG 100 2HG ARG 100 8.949 -15.448 1.595 607 HG3 ARG 100 1HG ARG 100 8.410 -16.819 0.617 608 HD2 ARG 100 2HD ARG 100 10.220 -14.591 -0.303 609 HD3 ARG 100 1HD ARG 100 10.733 -16.225 0.123 610 HH11 ARG 100 1HH1 ARG 100 10.824 -13.825 -1.726 611 HH12 ARG 100 2HH1 ARG 100 10.824 -13.677 -3.455 612 HH21 ARG 100 1HH2 ARG 100 9.203 -16.734 -4.038 613 HH22 ARG 100 2HH2 ARG 100 9.881 -15.305 -4.770 614 H ASP 101 H ASP 101 5.108 -16.409 2.648 615 HA ASP 101 HA ASP 101 4.655 -18.719 0.890 616 HB2 ASP 101 2HB ASP 101 6.133 -19.258 2.748 617 HB3 ASP 101 1HB ASP 101 4.964 -18.613 3.895 Start of MODEL 2 1 HA LEU 25 HA LEU 25 16.239 -4.730 1.716 2 HG LEU 25 HG LEU 25 13.889 -5.289 3.647 3 H1 LEU 25 1HT LEU 25 15.939 -5.669 3.898 4 H2 LEU 25 2HT LEU 25 16.484 -4.240 4.628 5 H3 LEU 25 3HT LEU 25 17.544 -5.166 3.687 6 HB2 LEU 25 2HB LEU 25 14.672 -2.939 3.579 7 HB3 LEU 25 1HB LEU 25 14.513 -2.957 1.834 8 HD11 LEU 25 1HD1 LEU 25 12.306 -3.479 3.973 9 HD12 LEU 25 2HD1 LEU 25 11.548 -4.809 3.098 10 HD13 LEU 25 3HD1 LEU 25 12.055 -3.359 2.231 11 HD21 LEU 25 1HD2 LEU 25 14.597 -6.005 1.443 12 HD22 LEU 25 2HD2 LEU 25 13.466 -4.881 0.689 13 HD23 LEU 25 3HD2 LEU 25 12.859 -6.244 1.628 14 H SER 26 H SER 26 17.228 -3.312 0.405 15 HA SER 26 HA SER 26 19.157 -1.508 1.585 16 HG SER 26 HG SER 26 19.638 -3.773 -1.179 17 HB2 SER 26 2HB SER 26 18.517 -2.012 -1.333 18 HB3 SER 26 1HB SER 26 19.959 -1.219 -0.699 19 H GLU 27 H GLU 27 19.388 0.705 0.312 20 HA GLU 27 HA GLU 27 16.936 2.135 0.848 21 HB2 GLU 27 2HB GLU 27 19.625 3.101 -0.129 22 HB3 GLU 27 1HB GLU 27 18.277 4.148 0.298 23 HG2 GLU 27 2HG GLU 27 19.631 2.229 2.166 24 HG3 GLU 27 1HG GLU 27 19.950 3.960 2.086 25 H GLU 28 H GLU 28 18.764 1.069 -1.933 26 HA GLU 28 HA GLU 28 17.486 2.541 -3.940 27 HB2 GLU 28 2HB GLU 28 18.058 0.601 -5.428 28 HB3 GLU 28 1HB GLU 28 19.411 1.215 -4.487 29 HG2 GLU 28 2HG GLU 28 19.277 -0.616 -2.963 30 HG3 GLU 28 1HG GLU 28 17.771 -1.176 -3.689 31 H GLN 29 H GLN 29 16.503 -0.358 -2.217 32 HA GLN 29 HA GLN 29 14.225 -0.934 -3.804 33 HB2 GLN 29 2HB GLN 29 13.977 -2.723 -2.394 34 HB3 GLN 29 1HB GLN 29 15.634 -2.323 -2.008 35 HG2 GLN 29 2HG GLN 29 14.760 -2.632 0.060 36 HG3 GLN 29 1HG GLN 29 14.599 -0.887 -0.137 37 HE21 GLN 29 1HE2 GLN 29 12.956 -0.831 1.398 38 HE22 GLN 29 2HE2 GLN 29 11.359 -1.393 1.055 39 H LYS 30 H LYS 30 14.963 1.164 -1.190 40 HA LYS 30 HA LYS 30 12.261 1.643 -0.370 41 HB2 LYS 30 2HB LYS 30 14.959 2.657 0.407 42 HB3 LYS 30 1HB LYS 30 13.524 3.559 0.902 43 HG2 LYS 30 2HG LYS 30 12.849 1.984 2.304 44 HG3 LYS 30 1HG LYS 30 13.456 0.654 1.333 45 HD2 LYS 30 2HD LYS 30 14.991 0.486 2.959 46 HD3 LYS 30 1HD LYS 30 15.749 1.865 2.158 47 HE2 LYS 30 2HE LYS 30 14.703 3.411 3.640 48 HE3 LYS 30 1HE LYS 30 13.660 2.159 4.312 49 HZ1 LYS 30 1HZ LYS 30 15.614 1.095 5.257 50 HZ2 LYS 30 2HZ LYS 30 15.471 2.694 5.804 51 HZ3 LYS 30 3HZ LYS 30 16.612 2.305 4.607 52 H GLN 31 H GLN 31 14.657 3.259 -2.370 53 HA GLN 31 HA GLN 31 13.308 5.691 -2.624 54 HB2 GLN 31 2HB GLN 31 15.114 4.327 -4.632 55 HB3 GLN 31 1HB GLN 31 14.672 6.027 -4.656 56 HG2 GLN 31 2HG GLN 31 15.732 6.250 -2.407 57 HG3 GLN 31 1HG GLN 31 16.316 4.599 -2.586 58 HE21 GLN 31 1HE2 GLN 31 17.805 7.058 -2.283 59 HE22 GLN 31 2HE2 GLN 31 18.831 7.189 -3.677 60 H GLU 32 H GLU 32 13.113 2.701 -4.469 61 HA GLU 32 HA GLU 32 11.235 3.401 -6.398 62 HB2 GLU 32 2HB GLU 32 12.059 0.897 -5.031 63 HB3 GLU 32 1HB GLU 32 10.513 0.863 -5.867 64 HG2 GLU 32 2HG GLU 32 13.084 1.727 -7.166 65 HG3 GLU 32 1HG GLU 32 12.476 0.071 -7.197 66 H ILE 33 H ILE 33 10.807 2.511 -3.020 67 HA ILE 33 HA ILE 33 7.987 2.206 -3.202 68 HB ILE 33 HB ILE 33 9.702 2.552 -0.745 69 HG12 ILE 33 2HG1 ILE 33 8.715 0.111 -2.227 70 HG13 ILE 33 1HG1 ILE 33 10.387 0.626 -2.045 71 HG21 ILE 33 1HG2 ILE 33 7.829 1.485 0.433 72 HG22 ILE 33 2HG2 ILE 33 6.887 1.519 -1.059 73 HG23 ILE 33 3HG2 ILE 33 7.364 3.029 -0.282 74 HD11 ILE 33 1HD1 ILE 33 8.570 -0.341 0.146 75 HD12 ILE 33 2HD1 ILE 33 10.226 0.224 0.366 76 HD13 ILE 33 3HD1 ILE 33 9.909 -1.227 -0.584 77 H LYS 34 H LYS 34 10.080 4.900 -2.141 78 HA LYS 34 HA LYS 34 7.989 6.622 -1.272 79 HB2 LYS 34 2HB LYS 34 10.252 7.852 -2.755 80 HB3 LYS 34 1HB LYS 34 9.508 8.357 -1.259 81 HG2 LYS 34 2HG LYS 34 11.378 6.022 -1.518 82 HG3 LYS 34 1HG LYS 34 11.855 7.648 -1.040 83 HD2 LYS 34 2HD LYS 34 10.690 7.536 0.961 84 HD3 LYS 34 1HD LYS 34 9.690 6.179 0.420 85 HE2 LYS 34 2HE LYS 34 11.268 5.204 1.855 86 HE3 LYS 34 1HE LYS 34 11.879 4.893 0.223 87 HZ1 LYS 34 1HZ LYS 34 13.610 5.675 1.796 88 HZ2 LYS 34 2HZ LYS 34 12.786 7.148 1.939 89 HZ3 LYS 34 3HZ LYS 34 13.432 6.680 0.442 90 H GLU 35 H GLU 35 9.622 6.146 -4.299 91 HA GLU 35 HA GLU 35 8.401 8.045 -5.893 92 HB2 GLU 35 2HB GLU 35 10.084 5.720 -6.118 93 HB3 GLU 35 1HB GLU 35 8.950 5.792 -7.480 94 HG2 GLU 35 2HG GLU 35 10.801 8.014 -6.626 95 HG3 GLU 35 1HG GLU 35 11.089 6.900 -7.964 96 H ALA 36 H ALA 36 7.557 4.597 -5.549 97 HA ALA 36 HA ALA 36 5.209 4.718 -7.108 98 HB1 ALA 36 1HB ALA 36 5.893 2.774 -4.904 99 HB2 ALA 36 2HB ALA 36 6.388 2.628 -6.589 100 HB3 ALA 36 3HB ALA 36 4.679 2.543 -6.163 101 H PHE 37 H PHE 37 5.822 5.240 -3.699 102 HA PHE 37 HA PHE 37 3.280 5.185 -2.641 103 HD1 PHE 37 1HD PHE 37 2.603 5.251 -0.566 104 HD2 PHE 37 2HD PHE 37 5.473 8.353 -0.151 105 HE1 PHE 37 1HE PHE 37 1.420 6.075 1.425 106 HE2 PHE 37 2HE PHE 37 4.311 9.181 1.830 107 HZ PHE 37 HZ PHE 37 2.269 8.049 2.632 108 HB2 PHE 37 2HB PHE 37 5.366 5.336 -1.367 109 HB3 PHE 37 1HB PHE 37 5.602 6.981 -1.936 110 H ASP 38 H ASP 38 5.026 8.087 -3.804 111 HA ASP 38 HA ASP 38 2.787 9.814 -3.652 112 HB2 ASP 38 2HB ASP 38 5.427 9.929 -5.058 113 HB3 ASP 38 1HB ASP 38 4.190 11.125 -5.440 114 H LEU 39 H LEU 39 3.997 7.698 -6.123 115 HA LEU 39 HA LEU 39 2.498 8.614 -8.312 116 HG LEU 39 HG LEU 39 1.965 5.412 -9.161 117 HB2 LEU 39 2HB LEU 39 4.342 7.207 -8.703 118 HB3 LEU 39 1HB LEU 39 3.763 5.992 -7.585 119 HD11 LEU 39 1HD1 LEU 39 3.314 7.409 -10.976 120 HD12 LEU 39 2HD1 LEU 39 1.700 7.555 -10.275 121 HD13 LEU 39 3HD1 LEU 39 2.040 6.283 -11.448 122 HD21 LEU 39 1HD2 LEU 39 4.726 5.388 -10.364 123 HD22 LEU 39 2HD2 LEU 39 3.394 4.306 -10.778 124 HD23 LEU 39 3HD2 LEU 39 4.115 4.244 -9.169 125 H PHE 40 H PHE 40 1.770 6.270 -5.779 126 HA PHE 40 HA PHE 40 -0.810 5.678 -6.971 127 HD1 PHE 40 1HD PHE 40 -0.373 3.936 -7.966 128 HD2 PHE 40 2HD PHE 40 1.872 2.844 -4.519 129 HE1 PHE 40 1HE PHE 40 0.868 2.290 -9.302 130 HE2 PHE 40 2HE PHE 40 3.120 1.196 -5.851 131 HZ PHE 40 HZ PHE 40 2.622 0.918 -8.245 132 HB2 PHE 40 2HB PHE 40 0.442 4.663 -4.413 133 HB3 PHE 40 1HB PHE 40 -1.065 4.087 -5.119 134 H ASP 41 H ASP 41 0.540 7.683 -4.492 135 HA ASP 41 HA ASP 41 -1.749 8.275 -2.997 136 HB2 ASP 41 2HB ASP 41 0.547 9.022 -2.401 137 HB3 ASP 41 1HB ASP 41 0.515 10.146 -3.751 138 H THR 42 H THR 42 -0.723 9.182 -6.123 139 HA THR 42 HA THR 42 -1.547 10.465 -7.808 140 HB THR 42 HB THR 42 -4.034 10.254 -8.170 141 HG1 THR 42 1HG THR 42 -3.853 9.257 -5.587 142 HG21 THR 42 1HG2 THR 42 -2.516 7.702 -7.631 143 HG22 THR 42 2HG2 THR 42 -2.438 8.658 -9.110 144 HG23 THR 42 3HG2 THR 42 -3.944 7.860 -8.653 145 H ASN 43 H ASN 43 -1.048 11.879 -5.367 146 HA ASN 43 HA ASN 43 -2.531 14.298 -5.811 147 HB2 ASN 43 2HB ASN 43 -4.074 12.905 -4.386 148 HB3 ASN 43 1HB ASN 43 -2.820 12.854 -3.154 149 HD21 ASN 43 1HD2 ASN 43 -4.090 13.849 -1.634 150 HD22 ASN 43 2HD2 ASN 43 -4.510 15.525 -1.713 151 H LYS 44 H LYS 44 -1.838 15.739 -3.648 152 HA LYS 44 HA LYS 44 0.994 15.127 -3.154 153 HB2 LYS 44 2HB LYS 44 0.657 17.153 -4.568 154 HB3 LYS 44 1HB LYS 44 -0.261 17.874 -3.255 155 HG2 LYS 44 2HG LYS 44 1.728 17.739 -1.819 156 HG3 LYS 44 1HG LYS 44 2.641 17.082 -3.174 157 HD2 LYS 44 2HD LYS 44 3.096 19.441 -2.973 158 HD3 LYS 44 1HD LYS 44 2.169 19.153 -4.445 159 HE2 LYS 44 2HE LYS 44 0.762 19.869 -1.908 160 HE3 LYS 44 1HE LYS 44 1.540 21.129 -2.861 161 HZ1 LYS 44 1HZ LYS 44 -0.489 19.248 -3.931 162 HZ2 LYS 44 2HZ LYS 44 0.163 20.594 -4.721 163 HZ3 LYS 44 3HZ LYS 44 -0.839 20.805 -3.371 164 H THR 45 H THR 45 0.081 13.850 -1.378 165 HA THR 45 HA THR 45 0.086 15.498 1.004 166 HB THR 45 HB THR 45 -2.348 15.190 0.249 167 HG1 THR 45 1HG THR 45 -1.813 14.222 2.871 168 HG21 THR 45 1HG2 THR 45 -2.245 12.814 -0.312 169 HG22 THR 45 2HG2 THR 45 -3.439 13.120 0.949 170 HG23 THR 45 3HG2 THR 45 -1.872 12.428 1.369 171 H GLY 46 H GLY 46 0.189 12.334 -0.526 172 HA2 GLY 46 2HA GLY 46 1.561 10.553 -0.036 173 HA3 GLY 46 1HA GLY 46 2.308 11.532 1.218 174 H SER 47 H SER 47 -0.985 10.272 0.707 175 HA SER 47 HA SER 47 -0.702 8.460 2.944 176 HG SER 47 HG SER 47 -0.259 10.663 3.897 177 HB2 SER 47 2HB SER 47 -2.803 10.640 3.077 178 HB3 SER 47 1HB SER 47 -2.566 9.335 4.241 179 H ILE 48 H ILE 48 -1.933 6.678 2.590 180 HA ILE 48 HA ILE 48 -3.461 6.773 0.083 181 HB ILE 48 HB ILE 48 -2.289 4.328 1.400 182 HG12 ILE 48 2HG1 ILE 48 -0.482 5.882 0.826 183 HG13 ILE 48 1HG1 ILE 48 -0.467 4.489 -0.247 184 HG21 ILE 48 1HG2 ILE 48 -4.101 3.866 -0.139 185 HG22 ILE 48 2HG2 ILE 48 -2.567 3.337 -0.828 186 HG23 ILE 48 3HG2 ILE 48 -3.315 4.833 -1.388 187 HD11 ILE 48 1HD1 ILE 48 -1.525 5.804 -1.994 188 HD12 ILE 48 2HD1 ILE 48 -0.030 6.566 -1.444 189 HD13 ILE 48 3HD1 ILE 48 -1.591 7.197 -0.917 190 H ASP 49 H ASP 49 -5.565 6.542 0.142 191 HA ASP 49 HA ASP 49 -6.819 4.956 2.286 192 HB2 ASP 49 2HB ASP 49 -7.770 7.183 2.138 193 HB3 ASP 49 1HB ASP 49 -7.945 7.042 0.394 194 H TYR 50 H TYR 50 -8.716 3.550 1.399 195 HA TYR 50 HA TYR 50 -7.671 1.941 -0.670 196 HD1 TYR 50 2HD TYR 50 -9.800 2.242 2.752 197 HD2 TYR 50 1HD TYR 50 -12.014 1.758 -0.847 198 HE1 TYR 50 2HE TYR 50 -11.787 3.172 3.855 199 HE2 TYR 50 1HE TYR 50 -14.007 2.693 0.246 200 HH TYR 50 HH TYR 50 -14.875 2.912 2.586 201 HB2 TYR 50 2HB TYR 50 -9.870 0.727 -0.591 202 HB3 TYR 50 1HB TYR 50 -8.988 0.806 0.924 203 H HIS 51 H HIS 51 -9.321 4.807 -0.758 204 HA HIS 51 HA HIS 51 -10.575 4.904 -3.208 205 HD1 HIS 51 1HD HIS 51 -7.841 8.655 -3.197 206 HD2 HIS 51 2HD HIS 51 -11.536 7.328 -4.584 207 HE1 HIS 51 1HE HIS 51 -8.404 10.127 -5.156 208 HE2 HIS 51 2HE HIS 51 -10.708 9.405 -5.876 209 HB2 HIS 51 2HB HIS 51 -10.506 6.823 -1.772 210 HB3 HIS 51 1HB HIS 51 -8.746 6.858 -1.798 211 H GLU 52 H GLU 52 -7.124 5.709 -2.669 212 HA GLU 52 HA GLU 52 -6.672 5.118 -5.495 213 HB2 GLU 52 2HB GLU 52 -4.455 6.254 -5.146 214 HB3 GLU 52 1HB GLU 52 -5.876 7.268 -4.983 215 HG2 GLU 52 2HG GLU 52 -4.509 6.063 -2.604 216 HG3 GLU 52 1HG GLU 52 -3.993 7.589 -3.314 217 H LEU 53 H LEU 53 -6.229 3.590 -2.508 218 HA LEU 53 HA LEU 53 -3.794 2.243 -2.921 219 HG LEU 53 HG LEU 53 -4.406 -0.523 -1.976 220 HB2 LEU 53 2HB LEU 53 -5.085 2.169 -0.792 221 HB3 LEU 53 1HB LEU 53 -6.250 1.124 -1.582 222 HD11 LEU 53 1HD1 LEU 53 -2.408 -0.339 -0.582 223 HD12 LEU 53 2HD1 LEU 53 -2.913 1.273 -0.075 224 HD13 LEU 53 3HD1 LEU 53 -2.509 0.964 -1.765 225 HD21 LEU 53 1HD2 LEU 53 -5.027 0.167 0.890 226 HD22 LEU 53 2HD2 LEU 53 -4.446 -1.390 0.301 227 HD23 LEU 53 3HD2 LEU 53 -6.036 -0.801 -0.187 228 H LYS 54 H LYS 54 -6.948 1.763 -4.299 229 HA LYS 54 HA LYS 54 -6.647 -0.913 -5.087 230 HB2 LYS 54 2HB LYS 54 -8.797 0.377 -5.000 231 HB3 LYS 54 1HB LYS 54 -8.308 1.178 -6.488 232 HG2 LYS 54 2HG LYS 54 -8.305 -0.920 -7.672 233 HG3 LYS 54 1HG LYS 54 -8.647 -1.799 -6.178 234 HD2 LYS 54 2HD LYS 54 -10.663 -1.500 -7.559 235 HD3 LYS 54 1HD LYS 54 -10.804 -0.687 -5.997 236 HE2 LYS 54 2HE LYS 54 -10.185 1.437 -7.074 237 HE3 LYS 54 1HE LYS 54 -10.095 0.610 -8.626 238 HZ1 LYS 54 1HZ LYS 54 -12.426 0.128 -8.509 239 HZ2 LYS 54 2HZ LYS 54 -12.197 1.797 -8.275 240 HZ3 LYS 54 3HZ LYS 54 -12.537 0.791 -6.951 241 H VAL 55 H VAL 55 -5.617 2.094 -6.610 242 HA VAL 55 HA VAL 55 -4.903 0.756 -9.070 243 HB VAL 55 HB VAL 55 -4.059 2.851 -9.867 244 HG11 VAL 55 1HG1 VAL 55 -6.591 3.275 -8.291 245 HG12 VAL 55 2HG1 VAL 55 -6.465 2.587 -9.909 246 HG13 VAL 55 3HG1 VAL 55 -6.041 4.276 -9.636 247 HG21 VAL 55 1HG2 VAL 55 -2.882 3.605 -7.864 248 HG22 VAL 55 2HG2 VAL 55 -4.423 3.936 -7.074 249 HG23 VAL 55 3HG2 VAL 55 -3.941 4.869 -8.491 250 H ALA 56 H ALA 56 -3.515 1.407 -6.028 251 HA ALA 56 HA ALA 56 -0.777 1.050 -6.794 252 HB1 ALA 56 1HB ALA 56 -1.356 2.261 -4.763 253 HB2 ALA 56 2HB ALA 56 -0.375 0.847 -4.380 254 HB3 ALA 56 3HB ALA 56 -2.116 0.814 -4.100 255 H MET 57 H MET 57 -3.149 -0.937 -5.083 256 HA MET 57 HA MET 57 -1.625 -3.227 -4.760 257 HB2 MET 57 2HB MET 57 -4.613 -2.972 -5.126 258 HB3 MET 57 1HB MET 57 -3.794 -4.398 -4.501 259 HG2 MET 57 2HG MET 57 -3.504 -1.707 -3.213 260 HG3 MET 57 1HG MET 57 -4.830 -2.796 -2.825 261 HE1 MET 57 1HE MET 57 -3.669 -5.636 -2.854 262 HE2 MET 57 2HE MET 57 -4.644 -4.982 -1.538 263 HE3 MET 57 3HE MET 57 -3.128 -5.811 -1.183 264 H ARG 58 H ARG 58 -3.778 -2.360 -7.458 265 HA ARG 58 HA ARG 58 -3.421 -4.801 -8.846 266 HE ARG 58 HE ARG 58 -4.625 -2.295 -12.490 267 HB2 ARG 58 2HB ARG 58 -4.404 -3.653 -10.778 268 HB3 ARG 58 1HB ARG 58 -5.322 -3.344 -9.312 269 HG2 ARG 58 2HG ARG 58 -4.281 -1.152 -9.112 270 HG3 ARG 58 1HG ARG 58 -3.336 -1.463 -10.568 271 HD2 ARG 58 2HD ARG 58 -6.350 -1.400 -10.440 272 HD3 ARG 58 1HD ARG 58 -5.333 -0.065 -10.985 273 HH11 ARG 58 1HH1 ARG 58 -7.479 -0.335 -11.990 274 HH12 ARG 58 2HH1 ARG 58 -8.079 -0.553 -13.604 275 HH21 ARG 58 1HH2 ARG 58 -5.403 -2.604 -14.598 276 HH22 ARG 58 2HH2 ARG 58 -6.875 -1.836 -15.108 277 H ALA 59 H ALA 59 -1.545 -1.865 -8.695 278 HA ALA 59 HA ALA 59 0.007 -2.388 -11.040 279 HB1 ALA 59 1HB ALA 59 0.671 -0.611 -8.697 280 HB2 ALA 59 2HB ALA 59 -0.252 -0.127 -10.118 281 HB3 ALA 59 3HB ALA 59 1.441 -0.589 -10.283 282 H LEU 60 H LEU 60 0.482 -2.952 -7.559 283 HA LEU 60 HA LEU 60 3.003 -4.221 -7.854 284 HG LEU 60 HG LEU 60 2.721 -3.354 -4.280 285 HB2 LEU 60 2HB LEU 60 0.915 -4.255 -5.698 286 HB3 LEU 60 1HB LEU 60 2.322 -5.292 -5.602 287 HD11 LEU 60 1HD1 LEU 60 4.740 -2.450 -5.326 288 HD12 LEU 60 2HD1 LEU 60 4.255 -3.170 -6.862 289 HD13 LEU 60 3HD1 LEU 60 4.639 -4.203 -5.485 290 HD21 LEU 60 1HD2 LEU 60 2.113 -1.719 -6.729 291 HD22 LEU 60 2HD2 LEU 60 2.724 -1.089 -5.197 292 HD23 LEU 60 3HD2 LEU 60 1.125 -1.834 -5.272 293 H GLY 61 H GLY 61 -0.263 -5.257 -8.310 294 HA2 GLY 61 2HA GLY 61 -0.681 -7.112 -9.768 295 HA3 GLY 61 1HA GLY 61 0.770 -7.883 -9.147 296 H PHE 62 H PHE 62 -1.246 -6.385 -6.817 297 HA PHE 62 HA PHE 62 -1.776 -8.900 -5.554 298 HD1 PHE 62 2HD PHE 62 -0.960 -8.957 -3.277 299 HD2 PHE 62 1HD PHE 62 -0.954 -4.807 -4.218 300 HE1 PHE 62 2HE PHE 62 1.109 -8.667 -1.973 301 HE2 PHE 62 1HE PHE 62 1.106 -4.510 -2.916 302 HZ PHE 62 HZ PHE 62 2.142 -6.439 -1.789 303 HB2 PHE 62 2HB PHE 62 -2.695 -6.095 -4.933 304 HB3 PHE 62 1HB PHE 62 -3.113 -7.491 -3.950 305 H ASP 63 H ASP 63 -3.410 -10.211 -5.942 306 HA ASP 63 HA ASP 63 -5.782 -9.205 -7.327 307 HB2 ASP 63 2HB ASP 63 -4.749 -11.242 -8.229 308 HB3 ASP 63 1HB ASP 63 -4.921 -12.034 -6.665 309 H VAL 64 H VAL 64 -6.817 -8.091 -5.702 310 HA VAL 64 HA VAL 64 -7.739 -9.682 -3.409 311 HB VAL 64 HB VAL 64 -7.508 -7.661 -1.962 312 HG11 VAL 64 1HG1 VAL 64 -5.078 -7.890 -1.633 313 HG12 VAL 64 2HG1 VAL 64 -4.967 -8.757 -3.163 314 HG13 VAL 64 3HG1 VAL 64 -5.879 -9.449 -1.822 315 HG21 VAL 64 1HG2 VAL 64 -5.943 -5.893 -2.692 316 HG22 VAL 64 2HG2 VAL 64 -7.414 -5.940 -3.664 317 HG23 VAL 64 3HG2 VAL 64 -5.915 -6.611 -4.302 318 H LYS 65 H LYS 65 -8.275 -6.857 -5.420 319 HA LYS 65 HA LYS 65 -10.107 -5.673 -5.983 320 HB2 LYS 65 2HB LYS 65 -11.251 -8.409 -5.546 321 HB3 LYS 65 1HB LYS 65 -12.283 -7.063 -6.014 322 HG2 LYS 65 2HG LYS 65 -11.521 -7.038 -8.114 323 HG3 LYS 65 1HG LYS 65 -9.853 -7.332 -7.618 324 HD2 LYS 65 2HD LYS 65 -12.041 -9.396 -7.838 325 HD3 LYS 65 1HD LYS 65 -10.694 -9.180 -8.957 326 HE2 LYS 65 2HE LYS 65 -9.215 -9.502 -6.853 327 HE3 LYS 65 1HE LYS 65 -10.674 -10.202 -6.143 328 HZ1 LYS 65 1HZ LYS 65 -9.669 -12.040 -7.045 329 HZ2 LYS 65 2HZ LYS 65 -9.033 -11.199 -8.368 330 HZ3 LYS 65 3HZ LYS 65 -10.686 -11.588 -8.327 331 H LYS 66 H LYS 66 -12.773 -5.767 -5.069 332 HA LYS 66 HA LYS 66 -12.567 -3.766 -3.197 333 HB2 LYS 66 2HB LYS 66 -14.947 -5.524 -3.776 334 HB3 LYS 66 1HB LYS 66 -15.011 -4.040 -2.837 335 HG2 LYS 66 2HG LYS 66 -14.129 -2.837 -4.849 336 HG3 LYS 66 1HG LYS 66 -14.349 -4.338 -5.754 337 HD2 LYS 66 2HD LYS 66 -16.730 -4.330 -5.165 338 HD3 LYS 66 1HD LYS 66 -16.503 -2.820 -4.283 339 HE2 LYS 66 2HE LYS 66 -17.422 -2.307 -6.432 340 HE3 LYS 66 1HE LYS 66 -15.745 -1.766 -6.402 341 HZ1 LYS 66 1HZ LYS 66 -16.336 -2.897 -8.475 342 HZ2 LYS 66 2HZ LYS 66 -16.691 -4.310 -7.605 343 HZ3 LYS 66 3HZ LYS 66 -15.106 -3.716 -7.643 344 HA PRO 67 HA PRO 67 -14.300 -6.627 0.304 345 HB2 PRO 67 2HB PRO 67 -13.243 -9.294 -0.423 346 HB3 PRO 67 1HB PRO 67 -14.832 -8.843 0.205 347 HG2 PRO 67 2HG PRO 67 -14.514 -9.561 -2.347 348 HG3 PRO 67 1HG PRO 67 -15.644 -8.272 -1.884 349 HD2 PRO 67 2HD PRO 67 -12.901 -8.058 -3.066 350 HD3 PRO 67 1HD PRO 67 -14.363 -7.117 -3.432 351 H GLU 68 H GLU 68 -11.238 -7.806 -1.092 352 HA GLU 68 HA GLU 68 -10.116 -8.140 1.550 353 HB2 GLU 68 2HB GLU 68 -9.629 -9.712 -0.312 354 HB3 GLU 68 1HB GLU 68 -8.790 -8.417 -1.153 355 HG2 GLU 68 2HG GLU 68 -7.133 -9.730 -0.133 356 HG3 GLU 68 1HG GLU 68 -7.264 -8.265 0.837 357 H ILE 69 H ILE 69 -10.266 -5.645 -0.816 358 HA ILE 69 HA ILE 69 -7.676 -4.571 -0.192 359 HB ILE 69 HB ILE 69 -8.980 -4.530 -2.462 360 HG12 ILE 69 2HG1 ILE 69 -7.450 -2.063 -1.684 361 HG13 ILE 69 1HG1 ILE 69 -6.679 -3.634 -1.876 362 HG21 ILE 69 1HG2 ILE 69 -10.020 -2.365 -2.938 363 HG22 ILE 69 2HG2 ILE 69 -9.859 -1.919 -1.238 364 HG23 ILE 69 3HG2 ILE 69 -10.905 -3.262 -1.703 365 HD11 ILE 69 1HD1 ILE 69 -6.436 -2.351 -3.893 366 HD12 ILE 69 2HD1 ILE 69 -8.181 -2.110 -3.988 367 HD13 ILE 69 3HD1 ILE 69 -7.502 -3.727 -4.191 368 H LEU 70 H LEU 70 -11.025 -3.662 0.576 369 HA LEU 70 HA LEU 70 -10.069 -1.297 1.916 370 HG LEU 70 HG LEU 70 -14.276 -2.136 1.993 371 HB2 LEU 70 2HB LEU 70 -12.273 -0.690 2.338 372 HB3 LEU 70 1HB LEU 70 -12.351 -1.491 0.791 373 HD11 LEU 70 1HD1 LEU 70 -14.036 -4.546 2.256 374 HD12 LEU 70 2HD1 LEU 70 -12.279 -4.371 2.192 375 HD13 LEU 70 3HD1 LEU 70 -13.261 -3.956 0.784 376 HD21 LEU 70 1HD2 LEU 70 -13.591 -1.501 4.226 377 HD22 LEU 70 2HD2 LEU 70 -12.472 -2.869 4.287 378 HD23 LEU 70 3HD2 LEU 70 -14.216 -3.153 4.221 379 H GLU 71 H GLU 71 -10.978 -4.575 2.785 380 HA GLU 71 HA GLU 71 -11.001 -4.120 5.594 381 HB2 GLU 71 2HB GLU 71 -12.112 -6.063 4.563 382 HB3 GLU 71 1HB GLU 71 -10.545 -6.692 4.068 383 HG2 GLU 71 2HG GLU 71 -11.487 -7.764 6.096 384 HG3 GLU 71 1HG GLU 71 -9.888 -7.053 6.324 385 H LEU 72 H LEU 72 -8.566 -4.878 3.231 386 HA LEU 72 HA LEU 72 -6.424 -5.452 4.873 387 HG LEU 72 HG LEU 72 -4.123 -4.896 3.782 388 HB2 LEU 72 2HB LEU 72 -6.290 -5.601 2.450 389 HB3 LEU 72 1HB LEU 72 -6.514 -3.873 2.298 390 HD11 LEU 72 1HD1 LEU 72 -4.370 -4.706 0.782 391 HD12 LEU 72 2HD1 LEU 72 -4.170 -6.191 1.712 392 HD13 LEU 72 3HD1 LEU 72 -2.878 -4.993 1.678 393 HD21 LEU 72 1HD2 LEU 72 -4.631 -2.512 2.003 394 HD22 LEU 72 2HD2 LEU 72 -3.115 -2.867 2.832 395 HD23 LEU 72 3HD2 LEU 72 -4.565 -2.501 3.765 396 H MET 73 H MET 73 -7.817 -2.351 3.946 397 HA MET 73 HA MET 73 -5.857 -0.905 5.488 398 HB2 MET 73 2HB MET 73 -8.226 -0.065 3.855 399 HB3 MET 73 1HB MET 73 -7.326 1.074 4.850 400 HG2 MET 73 2HG MET 73 -5.265 0.242 3.601 401 HG3 MET 73 1HG MET 73 -6.411 -0.461 2.457 402 HE1 MET 73 1HE MET 73 -5.552 2.912 4.348 403 HE2 MET 73 2HE MET 73 -7.307 2.747 4.419 404 HE3 MET 73 3HE MET 73 -6.580 4.029 3.450 405 H ASN 74 H ASN 74 -9.089 -2.100 5.927 406 HA ASN 74 HA ASN 74 -10.001 -0.276 7.822 407 HB2 ASN 74 2HB ASN 74 -11.198 -2.293 6.628 408 HB3 ASN 74 1HB ASN 74 -10.720 -3.168 8.080 409 HD21 ASN 74 1HD2 ASN 74 -11.537 0.229 7.981 410 HD22 ASN 74 2HD2 ASN 74 -12.988 0.106 8.915 411 H GLU 75 H GLU 75 -8.510 -3.477 8.430 412 HA GLU 75 HA GLU 75 -8.090 -2.917 11.188 413 HB2 GLU 75 2HB GLU 75 -7.117 -5.046 9.325 414 HB3 GLU 75 1HB GLU 75 -6.497 -4.940 10.968 415 HG2 GLU 75 2HG GLU 75 -9.398 -5.224 10.213 416 HG3 GLU 75 1HG GLU 75 -8.349 -6.526 10.776 417 H TYR 76 H TYR 76 -6.197 -2.074 8.381 418 HA TYR 76 HA TYR 76 -3.756 -1.809 9.947 419 HD1 TYR 76 1HD TYR 76 -4.097 -3.813 9.269 420 HD2 TYR 76 2HD TYR 76 -2.152 -2.398 5.758 421 HE1 TYR 76 1HE TYR 76 -3.317 -6.096 8.787 422 HE2 TYR 76 2HE TYR 76 -1.363 -4.674 5.269 423 HH TYR 76 HH TYR 76 -0.930 -6.775 6.432 424 HB2 TYR 76 2HB TYR 76 -4.367 -1.269 7.043 425 HB3 TYR 76 1HB TYR 76 -2.820 -0.870 7.771 426 H ASP 77 H ASP 77 -6.349 0.194 8.872 427 HA ASP 77 HA ASP 77 -4.977 2.699 9.209 428 HB2 ASP 77 2HB ASP 77 -6.672 2.931 7.670 429 HB3 ASP 77 1HB ASP 77 -7.746 1.827 8.510 430 H ARG 78 H ARG 78 -5.902 4.364 10.720 431 HA ARG 78 HA ARG 78 -5.608 3.371 13.382 432 HE ARG 78 HE ARG 78 -7.131 7.769 10.030 433 HB2 ARG 78 2HB ARG 78 -5.976 5.871 13.909 434 HB3 ARG 78 1HB ARG 78 -4.530 5.390 13.039 435 HG2 ARG 78 2HG ARG 78 -5.295 7.300 11.936 436 HG3 ARG 78 1HG ARG 78 -5.802 5.957 10.914 437 HD2 ARG 78 2HD ARG 78 -8.051 6.088 11.924 438 HD3 ARG 78 1HD ARG 78 -7.524 7.482 12.867 439 HH11 ARG 78 1HH1 ARG 78 -9.392 8.214 12.680 440 HH12 ARG 78 2HH1 ARG 78 -10.309 9.430 11.843 441 HH21 ARG 78 1HH2 ARG 78 -8.317 9.392 8.967 442 HH22 ARG 78 2HH2 ARG 78 -9.707 10.093 9.738 443 H GLU 79 H GLU 79 -8.049 2.523 12.008 444 HA GLU 79 HA GLU 79 -10.162 1.974 12.613 445 HB2 GLU 79 2HB GLU 79 -9.474 3.383 15.196 446 HB3 GLU 79 1HB GLU 79 -10.881 2.358 14.943 447 HG2 GLU 79 2HG GLU 79 -9.525 0.426 14.682 448 HG3 GLU 79 1HG GLU 79 -8.052 1.394 14.623 449 H GLY 80 H GLY 80 -9.538 4.535 11.274 450 HA2 GLY 80 2HA GLY 80 -12.019 5.963 12.039 451 HA3 GLY 80 1HA GLY 80 -10.529 6.842 11.725 452 H ASN 81 H ASN 81 -10.508 4.281 9.680 453 HA ASN 81 HA ASN 81 -10.760 4.046 7.441 454 HB2 ASN 81 2HB ASN 81 -13.255 5.660 8.002 455 HB3 ASN 81 1HB ASN 81 -12.875 5.003 6.415 456 HD21 ASN 81 1HD2 ASN 81 -15.136 4.415 8.142 457 HD22 ASN 81 2HD2 ASN 81 -15.077 2.716 8.452 458 H GLY 82 H GLY 82 -8.973 5.938 8.255 459 HA2 GLY 82 2HA GLY 82 -9.417 8.259 6.509 460 HA3 GLY 82 1HA GLY 82 -8.189 8.131 7.762 461 H TYR 83 H TYR 83 -6.192 7.500 7.215 462 HA TYR 83 HA TYR 83 -5.831 6.109 4.664 463 HD1 TYR 83 2HD TYR 83 -5.946 8.090 2.307 464 HD2 TYR 83 1HD TYR 83 -5.436 10.194 5.969 465 HE1 TYR 83 2HE TYR 83 -7.439 9.862 1.491 466 HE2 TYR 83 1HE TYR 83 -6.938 11.967 5.163 467 HH TYR 83 HH TYR 83 -8.961 11.604 2.554 468 HB2 TYR 83 2HB TYR 83 -3.974 8.351 5.388 469 HB3 TYR 83 1HB TYR 83 -4.140 7.520 3.857 470 H ILE 84 H ILE 84 -3.662 5.239 4.451 471 HA ILE 84 HA ILE 84 -2.467 4.569 7.046 472 HB ILE 84 HB ILE 84 -1.301 2.751 5.799 473 HG12 ILE 84 2HG1 ILE 84 -3.013 3.796 3.546 474 HG13 ILE 84 1HG1 ILE 84 -1.271 3.548 3.563 475 HG21 ILE 84 1HG2 ILE 84 -3.332 2.305 7.064 476 HG22 ILE 84 2HG2 ILE 84 -3.263 1.300 5.616 477 HG23 ILE 84 3HG2 ILE 84 -4.313 2.716 5.657 478 HD11 ILE 84 1HD1 ILE 84 -3.369 1.402 3.628 479 HD12 ILE 84 2HD1 ILE 84 -1.623 1.145 3.630 480 HD13 ILE 84 3HD1 ILE 84 -2.405 1.877 2.229 481 H GLY 85 H GLY 85 -0.026 4.334 6.957 482 HA2 GLY 85 2HA GLY 85 0.987 6.773 5.660 483 HA3 GLY 85 1HA GLY 85 1.648 6.041 7.111 484 H PHE 86 H PHE 86 3.371 6.725 5.156 485 HA PHE 86 HA PHE 86 3.853 4.953 3.092 486 HD1 PHE 86 1HD PHE 86 5.702 5.858 1.154 487 HD2 PHE 86 2HD PHE 86 7.722 5.283 4.852 488 HE1 PHE 86 1HE PHE 86 7.643 4.969 -0.044 489 HE2 PHE 86 2HE PHE 86 9.661 4.408 3.662 490 HZ PHE 86 HZ PHE 86 9.548 4.026 1.239 491 HB2 PHE 86 2HB PHE 86 5.034 7.039 3.214 492 HB3 PHE 86 1HB PHE 86 5.764 6.596 4.756 493 H ASP 87 H ASP 87 4.844 4.770 6.473 494 HA ASP 87 HA ASP 87 6.539 2.535 6.209 495 HB2 ASP 87 2HB ASP 87 6.203 2.280 8.681 496 HB3 ASP 87 1HB ASP 87 6.722 3.884 8.179 497 H ASP 88 H ASP 88 3.068 2.828 6.495 498 HA ASP 88 HA ASP 88 2.610 0.041 7.011 499 HB2 ASP 88 2HB ASP 88 0.765 2.191 5.941 500 HB3 ASP 88 1HB ASP 88 0.257 0.548 6.310 501 H PHE 89 H PHE 89 2.687 2.137 4.188 502 HA PHE 89 HA PHE 89 1.782 0.331 2.253 503 HD1 PHE 89 2HD PHE 89 0.990 1.321 -0.059 504 HD2 PHE 89 1HD PHE 89 5.073 2.444 0.250 505 HE1 PHE 89 2HE PHE 89 1.261 0.948 -2.463 506 HE2 PHE 89 1HE PHE 89 5.366 2.067 -2.159 507 HZ PHE 89 HZ PHE 89 3.521 1.352 -3.527 508 HB2 PHE 89 2HB PHE 89 1.942 2.732 1.845 509 HB3 PHE 89 1HB PHE 89 3.684 2.681 2.075 510 H LEU 90 H LEU 90 4.897 0.990 3.626 511 HA LEU 90 HA LEU 90 6.537 -0.550 1.955 512 HG LEU 90 HG LEU 90 8.335 0.813 2.242 513 HB2 LEU 90 2HB LEU 90 6.744 1.027 4.236 514 HB3 LEU 90 1HB LEU 90 7.354 -0.542 4.721 515 HD11 LEU 90 1HD1 LEU 90 10.255 1.598 3.571 516 HD12 LEU 90 2HD1 LEU 90 9.430 1.064 5.038 517 HD13 LEU 90 3HD1 LEU 90 8.739 2.358 4.057 518 HD21 LEU 90 1HD2 LEU 90 8.775 -1.577 2.472 519 HD22 LEU 90 2HD2 LEU 90 9.515 -1.295 4.047 520 HD23 LEU 90 3HD2 LEU 90 10.268 -0.648 2.590 521 H ASP 91 H ASP 91 4.803 -1.314 4.924 522 HA ASP 91 HA ASP 91 5.973 -3.884 5.240 523 HB2 ASP 91 2HB ASP 91 5.027 -2.424 7.041 524 HB3 ASP 91 1HB ASP 91 3.428 -2.886 6.498 525 H ILE 92 H ILE 92 3.806 -2.743 3.126 526 HA ILE 92 HA ILE 92 2.239 -5.184 2.784 527 HB ILE 92 HB ILE 92 2.302 -2.525 1.383 528 HG12 ILE 92 2HG1 ILE 92 0.368 -3.690 3.352 529 HG13 ILE 92 1HG1 ILE 92 1.611 -2.497 3.725 530 HG21 ILE 92 1HG2 ILE 92 1.501 -4.305 -0.115 531 HG22 ILE 92 2HG2 ILE 92 0.194 -3.204 0.326 532 HG23 ILE 92 3HG2 ILE 92 0.315 -4.785 1.099 533 HD11 ILE 92 1HD1 ILE 92 0.495 -0.916 2.216 534 HD12 ILE 92 2HD1 ILE 92 -0.579 -1.457 3.505 535 HD13 ILE 92 3HD1 ILE 92 -0.751 -2.116 1.878 536 H MET 93 H MET 93 4.708 -3.259 1.231 537 HA MET 93 HA MET 93 5.075 -5.086 -0.938 538 HB2 MET 93 2HB MET 93 6.888 -2.921 0.129 539 HB3 MET 93 1HB MET 93 7.061 -3.747 -1.418 540 HG2 MET 93 2HG MET 93 4.754 -2.916 -1.985 541 HG3 MET 93 1HG MET 93 4.857 -1.890 -0.551 542 HE1 MET 93 1HE MET 93 7.830 -1.682 -4.064 543 HE2 MET 93 2HE MET 93 6.461 -2.791 -4.020 544 HE3 MET 93 3HE MET 93 7.775 -2.972 -2.858 545 H THR 94 H THR 94 6.120 -4.802 2.333 546 HA THR 94 HA THR 94 7.935 -7.065 2.040 547 HB THR 94 HB THR 94 8.390 -6.802 4.421 548 HG1 THR 94 1HG THR 94 7.294 -5.257 5.642 549 HG21 THR 94 1HG2 THR 94 9.634 -5.360 2.915 550 HG22 THR 94 2HG2 THR 94 9.288 -4.510 4.421 551 HG23 THR 94 3HG2 THR 94 8.343 -4.160 2.973 552 H GLU 95 H GLU 95 4.666 -6.380 2.725 553 HA GLU 95 HA GLU 95 3.892 -8.217 4.600 554 HB2 GLU 95 2HB GLU 95 2.382 -6.553 3.706 555 HB3 GLU 95 1HB GLU 95 2.355 -7.373 2.148 556 HG2 GLU 95 2HG GLU 95 0.338 -7.820 3.411 557 HG3 GLU 95 1HG GLU 95 1.278 -9.296 3.194 558 H LYS 96 H LYS 96 3.801 -8.661 1.102 559 HA LYS 96 HA LYS 96 2.821 -11.276 1.371 560 HB2 LYS 96 2HB LYS 96 3.184 -11.331 -1.164 561 HB3 LYS 96 1HB LYS 96 2.069 -10.135 -0.520 562 HG2 LYS 96 2HG LYS 96 3.365 -9.054 -2.181 563 HG3 LYS 96 1HG LYS 96 3.950 -8.471 -0.622 564 HD2 LYS 96 2HD LYS 96 5.646 -10.444 -0.863 565 HD3 LYS 96 1HD LYS 96 5.248 -10.316 -2.575 566 HE2 LYS 96 2HE LYS 96 5.998 -7.877 -1.023 567 HE3 LYS 96 1HE LYS 96 7.250 -8.984 -1.581 568 HZ1 LYS 96 1HZ LYS 96 6.975 -7.301 -3.211 569 HZ2 LYS 96 2HZ LYS 96 5.293 -7.521 -3.269 570 HZ3 LYS 96 3HZ LYS 96 6.331 -8.730 -3.851 571 H ILE 97 H ILE 97 6.045 -10.061 1.340 572 HA ILE 97 HA ILE 97 7.114 -12.672 0.556 573 HB ILE 97 HB ILE 97 9.371 -11.535 0.844 574 HG12 ILE 97 2HG1 ILE 97 9.054 -8.980 0.250 575 HG13 ILE 97 1HG1 ILE 97 7.564 -9.196 1.165 576 HG21 ILE 97 1HG2 ILE 97 9.275 -10.554 -1.402 577 HG22 ILE 97 2HG2 ILE 97 7.515 -10.636 -1.344 578 HG23 ILE 97 3HG2 ILE 97 8.469 -12.120 -1.311 579 HD11 ILE 97 1HD1 ILE 97 8.879 -10.044 3.054 580 HD12 ILE 97 2HD1 ILE 97 9.311 -8.390 2.611 581 HD13 ILE 97 3HD1 ILE 97 10.356 -9.732 2.142 582 H LYS 98 H LYS 98 6.796 -10.605 3.339 583 HA LYS 98 HA LYS 98 8.629 -12.080 4.962 584 HB2 LYS 98 2HB LYS 98 8.453 -10.139 6.062 585 HB3 LYS 98 1HB LYS 98 6.998 -9.707 5.183 586 HG2 LYS 98 2HG LYS 98 5.844 -11.332 6.872 587 HG3 LYS 98 1HG LYS 98 7.292 -11.017 7.840 588 HD2 LYS 98 2HD LYS 98 5.433 -9.458 8.342 589 HD3 LYS 98 1HD LYS 98 6.882 -8.637 7.750 590 HE2 LYS 98 2HE LYS 98 5.922 -8.467 5.523 591 HE3 LYS 98 1HE LYS 98 4.514 -9.394 6.042 592 HZ1 LYS 98 1HZ LYS 98 5.289 -6.698 7.040 593 HZ2 LYS 98 2HZ LYS 98 3.969 -7.598 7.602 594 HZ3 LYS 98 3HZ LYS 98 3.997 -7.049 6.002 595 H ASN 99 H ASN 99 5.149 -12.072 4.431 596 HA ASN 99 HA ASN 99 5.016 -14.625 5.891 597 HB2 ASN 99 2HB ASN 99 3.422 -12.608 6.411 598 HB3 ASN 99 1HB ASN 99 2.593 -13.117 4.946 599 HD21 ASN 99 1HD2 ASN 99 3.043 -15.942 5.322 600 HD22 ASN 99 2HD2 ASN 99 2.043 -16.441 6.643 601 H ARG 100 H ARG 100 6.303 -14.554 3.523 602 HA ARG 100 HA ARG 100 4.626 -14.980 1.270 603 HE ARG 100 HE ARG 100 9.306 -15.338 0.446 604 HB2 ARG 100 2HB ARG 100 6.962 -14.133 1.167 605 HB3 ARG 100 1HB ARG 100 7.524 -15.731 1.631 606 HG2 ARG 100 2HG ARG 100 6.849 -16.679 -0.393 607 HG3 ARG 100 1HG ARG 100 5.826 -15.300 -0.798 608 HD2 ARG 100 2HD ARG 100 7.872 -15.284 -2.123 609 HD3 ARG 100 1HD ARG 100 7.808 -13.896 -1.036 610 HH11 ARG 100 1HH1 ARG 100 9.294 -15.518 -3.046 611 HH12 ARG 100 2HH1 ARG 100 10.978 -15.940 -3.161 612 HH21 ARG 100 1HH2 ARG 100 11.496 -15.882 0.321 613 HH22 ARG 100 2HH2 ARG 100 12.244 -16.148 -1.228 614 H ASP 101 H ASP 101 5.575 -16.917 3.870 615 HA ASP 101 HA ASP 101 4.905 -19.367 2.383 616 HB2 ASP 101 2HB ASP 101 7.338 -19.183 2.954 617 HB3 ASP 101 1HB ASP 101 6.886 -19.166 4.656 Start of MODEL 3 1 HA LEU 25 HA LEU 25 16.332 -1.818 4.119 2 HG LEU 25 HG LEU 25 14.310 -3.274 3.627 3 H1 LEU 25 1HT LEU 25 14.632 -0.567 6.197 4 H2 LEU 25 2HT LEU 25 16.207 -1.144 6.441 5 H3 LEU 25 3HT LEU 25 14.969 -2.222 6.028 6 HB2 LEU 25 2HB LEU 25 13.697 -0.345 3.907 7 HB3 LEU 25 1HB LEU 25 14.642 -0.936 2.558 8 HD11 LEU 25 1HD1 LEU 25 12.072 -1.741 4.940 9 HD12 LEU 25 2HD1 LEU 25 13.400 -2.569 5.755 10 HD13 LEU 25 3HD1 LEU 25 12.198 -3.498 4.861 11 HD21 LEU 25 1HD2 LEU 25 12.021 -1.788 2.346 12 HD22 LEU 25 2HD2 LEU 25 12.191 -3.542 2.433 13 HD23 LEU 25 3HD2 LEU 25 13.349 -2.590 1.505 14 H SER 26 H SER 26 17.298 -0.350 2.651 15 HA SER 26 HA SER 26 17.829 2.254 3.864 16 HG SER 26 HG SER 26 19.930 -0.335 3.020 17 HB2 SER 26 2HB SER 26 19.230 0.971 1.509 18 HB3 SER 26 1HB SER 26 19.777 2.361 2.446 19 H GLU 27 H GLU 27 18.395 3.959 2.007 20 HA GLU 27 HA GLU 27 15.955 4.831 1.010 21 HB2 GLU 27 2HB GLU 27 18.796 5.578 0.436 22 HB3 GLU 27 1HB GLU 27 17.490 6.308 -0.485 23 HG2 GLU 27 2HG GLU 27 18.288 7.624 1.483 24 HG3 GLU 27 1HG GLU 27 16.557 7.300 1.441 25 H GLU 28 H GLU 28 18.476 2.952 -0.588 26 HA GLU 28 HA GLU 28 17.569 3.018 -3.208 27 HB2 GLU 28 2HB GLU 28 18.585 0.722 -3.395 28 HB3 GLU 28 1HB GLU 28 19.644 1.947 -2.711 29 HG2 GLU 28 2HG GLU 28 19.149 1.115 -0.461 30 HG3 GLU 28 1HG GLU 28 18.096 -0.126 -1.154 31 H GLN 29 H GLN 29 16.611 0.809 -0.616 32 HA GLN 29 HA GLN 29 14.699 -0.609 -2.153 33 HB2 GLN 29 2HB GLN 29 15.051 -0.344 0.838 34 HB3 GLN 29 1HB GLN 29 14.063 -1.536 0.030 35 HG2 GLN 29 2HG GLN 29 17.030 -1.288 -0.299 36 HG3 GLN 29 1HG GLN 29 16.219 -2.413 0.785 37 HE21 GLN 29 1HE2 GLN 29 14.042 -2.947 -1.072 38 HE22 GLN 29 2HE2 GLN 29 14.701 -3.948 -2.320 39 H LYS 30 H LYS 30 14.688 2.211 -0.139 40 HA LYS 30 HA LYS 30 11.874 2.520 0.057 41 HB2 LYS 30 2HB LYS 30 14.256 4.248 0.547 42 HB3 LYS 30 1HB LYS 30 12.670 5.007 0.433 43 HG2 LYS 30 2HG LYS 30 11.850 3.834 2.253 44 HG3 LYS 30 1HG LYS 30 13.163 2.663 2.212 45 HD2 LYS 30 2HD LYS 30 13.491 4.164 4.076 46 HD3 LYS 30 1HD LYS 30 14.733 4.467 2.861 47 HE2 LYS 30 2HE LYS 30 13.467 6.380 2.040 48 HE3 LYS 30 1HE LYS 30 12.210 6.063 3.235 49 HZ1 LYS 30 1HZ LYS 30 13.757 7.812 3.930 50 HZ2 LYS 30 2HZ LYS 30 15.038 6.700 3.885 51 HZ3 LYS 30 3HZ LYS 30 13.765 6.492 4.992 52 H GLN 31 H GLN 31 14.238 3.303 -2.357 53 HA GLN 31 HA GLN 31 12.836 5.322 -3.666 54 HB2 GLN 31 2HB GLN 31 14.780 3.302 -4.796 55 HB3 GLN 31 1HB GLN 31 14.166 4.675 -5.698 56 HG2 GLN 31 2HG GLN 31 15.937 4.706 -3.278 57 HG3 GLN 31 1HG GLN 31 16.314 5.255 -4.908 58 HE21 GLN 31 1HE2 GLN 31 14.783 6.012 -1.917 59 HE22 GLN 31 2HE2 GLN 31 14.440 7.674 -2.263 60 H GLU 32 H GLU 32 12.951 1.836 -4.385 61 HA GLU 32 HA GLU 32 11.100 1.926 -6.494 62 HB2 GLU 32 2HB GLU 32 10.813 -0.543 -5.994 63 HB3 GLU 32 1HB GLU 32 12.434 -0.003 -6.389 64 HG2 GLU 32 2HG GLU 32 12.989 -0.010 -4.001 65 HG3 GLU 32 1HG GLU 32 11.364 -0.589 -3.639 66 H ILE 33 H ILE 33 10.630 1.179 -3.070 67 HA ILE 33 HA ILE 33 7.886 0.668 -3.141 68 HB ILE 33 HB ILE 33 9.582 1.804 -0.920 69 HG12 ILE 33 2HG1 ILE 33 8.580 -0.984 -1.525 70 HG13 ILE 33 1HG1 ILE 33 10.242 -0.423 -1.663 71 HG21 ILE 33 1HG2 ILE 33 7.242 2.379 -0.536 72 HG22 ILE 33 2HG2 ILE 33 7.787 1.152 0.607 73 HG23 ILE 33 3HG2 ILE 33 6.782 0.692 -0.768 74 HD11 ILE 33 1HD1 ILE 33 9.903 -1.747 0.346 75 HD12 ILE 33 2HD1 ILE 33 8.657 -0.623 0.889 76 HD13 ILE 33 3HD1 ILE 33 10.330 -0.084 0.748 77 H LYS 34 H LYS 34 9.561 3.747 -2.454 78 HA LYS 34 HA LYS 34 7.114 5.183 -2.123 79 HB2 LYS 34 2HB LYS 34 9.928 6.110 -2.539 80 HB3 LYS 34 1HB LYS 34 8.582 7.194 -2.219 81 HG2 LYS 34 2HG LYS 34 8.194 5.788 -0.117 82 HG3 LYS 34 1HG LYS 34 9.825 5.171 -0.404 83 HD2 LYS 34 2HD LYS 34 9.194 8.088 -0.342 84 HD3 LYS 34 1HD LYS 34 9.603 7.192 1.126 85 HE2 LYS 34 2HE LYS 34 11.764 6.631 0.283 86 HE3 LYS 34 1HE LYS 34 11.352 7.238 -1.327 87 HZ1 LYS 34 1HZ LYS 34 11.609 8.891 1.136 88 HZ2 LYS 34 2HZ LYS 34 11.192 9.476 -0.398 89 HZ3 LYS 34 3HZ LYS 34 12.732 8.822 -0.137 90 H GLU 35 H GLU 35 9.269 4.575 -4.768 91 HA GLU 35 HA GLU 35 8.509 6.416 -6.654 92 HB2 GLU 35 2HB GLU 35 10.218 4.655 -6.948 93 HB3 GLU 35 1HB GLU 35 8.945 3.449 -7.049 94 HG2 GLU 35 2HG GLU 35 9.640 3.885 -9.236 95 HG3 GLU 35 1HG GLU 35 8.079 4.675 -9.035 96 H ALA 36 H ALA 36 6.858 3.516 -5.575 97 HA ALA 36 HA ALA 36 4.583 3.989 -7.302 98 HB1 ALA 36 1HB ALA 36 5.389 1.698 -6.894 99 HB2 ALA 36 2HB ALA 36 3.709 1.919 -6.407 100 HB3 ALA 36 3HB ALA 36 4.982 1.874 -5.187 101 H PHE 37 H PHE 37 5.518 4.570 -3.950 102 HA PHE 37 HA PHE 37 2.951 4.667 -2.826 103 HD1 PHE 37 1HD PHE 37 2.723 4.292 -0.334 104 HD2 PHE 37 2HD PHE 37 4.817 7.970 -0.713 105 HE1 PHE 37 1HE PHE 37 1.451 5.202 1.551 106 HE2 PHE 37 2HE PHE 37 3.549 8.889 1.174 107 HZ PHE 37 HZ PHE 37 1.856 7.506 2.316 108 HB2 PHE 37 2HB PHE 37 5.027 4.556 -1.502 109 HB3 PHE 37 1HB PHE 37 5.434 6.189 -2.018 110 H ASP 38 H ASP 38 5.067 7.363 -3.796 111 HA ASP 38 HA ASP 38 2.971 9.286 -3.634 112 HB2 ASP 38 2HB ASP 38 5.728 9.385 -4.852 113 HB3 ASP 38 1HB ASP 38 4.626 10.757 -4.876 114 H LEU 39 H LEU 39 4.224 7.218 -6.128 115 HA LEU 39 HA LEU 39 3.136 8.292 -8.426 116 HG LEU 39 HG LEU 39 1.790 5.541 -9.455 117 HB2 LEU 39 2HB LEU 39 4.531 6.325 -8.471 118 HB3 LEU 39 1HB LEU 39 3.354 5.415 -7.548 119 HD11 LEU 39 1HD1 LEU 39 2.684 6.271 -11.638 120 HD12 LEU 39 2HD1 LEU 39 4.107 6.900 -10.802 121 HD13 LEU 39 3HD1 LEU 39 2.514 7.580 -10.468 122 HD21 LEU 39 1HD2 LEU 39 2.970 3.961 -10.884 123 HD22 LEU 39 2HD2 LEU 39 3.274 3.611 -9.182 124 HD23 LEU 39 3HD2 LEU 39 4.506 4.422 -10.150 125 H PHE 40 H PHE 40 1.553 6.196 -6.027 126 HA PHE 40 HA PHE 40 -0.921 6.406 -7.538 127 HD1 PHE 40 1HD PHE 40 -1.288 4.499 -8.688 128 HD2 PHE 40 2HD PHE 40 1.098 2.961 -5.520 129 HE1 PHE 40 1HE PHE 40 -0.379 2.791 -10.207 130 HE2 PHE 40 2HE PHE 40 2.014 1.251 -7.033 131 HZ PHE 40 HZ PHE 40 1.290 1.200 -9.415 132 HB2 PHE 40 2HB PHE 40 -0.249 4.764 -5.098 133 HB3 PHE 40 1HB PHE 40 -1.780 4.716 -5.968 134 H ASP 41 H ASP 41 0.391 7.401 -4.407 135 HA ASP 41 HA ASP 41 -1.811 8.410 -3.106 136 HB2 ASP 41 2HB ASP 41 0.282 8.574 -2.005 137 HB3 ASP 41 1HB ASP 41 1.001 9.471 -3.335 138 H THR 42 H THR 42 -0.205 9.614 -5.844 139 HA THR 42 HA THR 42 -0.381 11.513 -7.129 140 HB THR 42 HB THR 42 -2.756 11.603 -8.113 141 HG1 THR 42 1HG THR 42 -2.913 9.332 -6.392 142 HG21 THR 42 1HG2 THR 42 -0.889 10.491 -9.196 143 HG22 THR 42 2HG2 THR 42 -2.363 9.541 -9.375 144 HG23 THR 42 3HG2 THR 42 -1.141 9.059 -8.196 145 H ASN 43 H ASN 43 -0.394 12.591 -4.550 146 HA ASN 43 HA ASN 43 -1.746 14.986 -5.369 147 HB2 ASN 43 2HB ASN 43 -3.082 15.379 -3.453 148 HB3 ASN 43 1HB ASN 43 -3.502 13.805 -4.084 149 HD21 ASN 43 1HD2 ASN 43 -2.949 11.965 -2.910 150 HD22 ASN 43 2HD2 ASN 43 -2.521 12.041 -1.233 151 H LYS 44 H LYS 44 -0.179 13.816 -2.319 152 HA LYS 44 HA LYS 44 2.137 15.292 -2.478 153 HB2 LYS 44 2HB LYS 44 0.356 17.188 -2.703 154 HB3 LYS 44 1HB LYS 44 0.147 16.980 -0.973 155 HG2 LYS 44 2HG LYS 44 2.827 17.539 -2.205 156 HG3 LYS 44 1HG LYS 44 1.705 18.822 -1.754 157 HD2 LYS 44 2HD LYS 44 2.824 16.729 0.114 158 HD3 LYS 44 1HD LYS 44 3.387 18.397 -0.013 159 HE2 LYS 44 2HE LYS 44 0.621 17.513 0.818 160 HE3 LYS 44 1HE LYS 44 1.885 18.115 1.890 161 HZ1 LYS 44 1HZ LYS 44 0.523 19.641 -0.268 162 HZ2 LYS 44 2HZ LYS 44 1.815 20.229 0.659 163 HZ3 LYS 44 3HZ LYS 44 0.339 19.865 1.403 164 H THR 45 H THR 45 -0.587 14.665 -0.277 165 HA THR 45 HA THR 45 0.896 15.049 2.082 166 HB THR 45 HB THR 45 -1.539 15.262 2.047 167 HG1 THR 45 1HG THR 45 -0.119 14.183 3.946 168 HG21 THR 45 1HG2 THR 45 -2.053 13.397 0.530 169 HG22 THR 45 2HG2 THR 45 -2.992 13.314 2.021 170 HG23 THR 45 3HG2 THR 45 -1.598 12.256 1.798 171 H GLY 46 H GLY 46 0.140 12.055 0.303 172 HA2 GLY 46 2HA GLY 46 1.489 10.125 0.391 173 HA3 GLY 46 1HA GLY 46 2.239 10.746 1.856 174 H SER 47 H SER 47 -1.098 10.047 0.867 175 HA SER 47 HA SER 47 -1.277 8.089 3.041 176 HG SER 47 HG SER 47 -3.435 10.233 1.486 177 HB2 SER 47 2HB SER 47 -3.470 8.970 3.743 178 HB3 SER 47 1HB SER 47 -2.207 10.187 3.947 179 H ILE 48 H ILE 48 -2.354 6.285 2.445 180 HA ILE 48 HA ILE 48 -3.324 6.317 -0.325 181 HB ILE 48 HB ILE 48 -2.358 3.976 1.314 182 HG12 ILE 48 2HG1 ILE 48 -0.527 5.470 0.761 183 HG13 ILE 48 1HG1 ILE 48 -0.413 4.009 -0.214 184 HG21 ILE 48 1HG2 ILE 48 -3.111 4.133 -1.597 185 HG22 ILE 48 2HG2 ILE 48 -4.031 3.325 -0.326 186 HG23 ILE 48 3HG2 ILE 48 -2.436 2.724 -0.778 187 HD11 ILE 48 1HD1 ILE 48 -1.473 6.670 -1.134 188 HD12 ILE 48 2HD1 ILE 48 -1.373 5.207 -2.114 189 HD13 ILE 48 3HD1 ILE 48 0.101 5.977 -1.528 190 H ASP 49 H ASP 49 -5.371 6.062 -0.720 191 HA ASP 49 HA ASP 49 -7.155 4.865 1.292 192 HB2 ASP 49 2HB ASP 49 -7.778 7.127 0.511 193 HB3 ASP 49 1HB ASP 49 -7.758 6.565 -1.154 194 H TYR 50 H TYR 50 -8.947 3.456 0.223 195 HA TYR 50 HA TYR 50 -7.687 1.428 -1.288 196 HD1 TYR 50 2HD TYR 50 -10.673 2.765 1.234 197 HD2 TYR 50 1HD TYR 50 -11.767 1.332 -2.623 198 HE1 TYR 50 2HE TYR 50 -12.786 4.011 1.377 199 HE2 TYR 50 1HE TYR 50 -13.882 2.580 -2.491 200 HH TYR 50 HH TYR 50 -14.449 4.998 -0.221 201 HB2 TYR 50 2HB TYR 50 -9.908 0.380 -1.456 202 HB3 TYR 50 1HB TYR 50 -9.513 0.854 0.189 203 H HIS 51 H HIS 51 -8.943 4.386 -2.212 204 HA HIS 51 HA HIS 51 -9.777 3.934 -4.849 205 HD1 HIS 51 1HD HIS 51 -11.195 7.032 -5.726 206 HD2 HIS 51 2HD HIS 51 -7.087 6.686 -6.302 207 HE1 HIS 51 1HE HIS 51 -10.714 8.176 -7.912 208 HE2 HIS 51 2HE HIS 51 -8.230 7.938 -8.258 209 HB2 HIS 51 2HB HIS 51 -10.035 6.094 -3.730 210 HB3 HIS 51 1HB HIS 51 -8.285 6.290 -3.657 211 H GLU 52 H GLU 52 -6.539 5.055 -3.792 212 HA GLU 52 HA GLU 52 -5.505 4.135 -6.365 213 HB2 GLU 52 2HB GLU 52 -3.405 5.380 -5.696 214 HB3 GLU 52 1HB GLU 52 -4.832 6.360 -5.965 215 HG2 GLU 52 2HG GLU 52 -3.914 5.512 -3.233 216 HG3 GLU 52 1HG GLU 52 -3.386 6.991 -4.021 217 H LEU 53 H LEU 53 -5.795 2.900 -3.287 218 HA LEU 53 HA LEU 53 -3.348 1.460 -3.152 219 HG LEU 53 HG LEU 53 -4.464 -1.182 -1.903 220 HB2 LEU 53 2HB LEU 53 -4.841 1.734 -1.200 221 HB3 LEU 53 1HB LEU 53 -6.024 0.703 -1.984 222 HD11 LEU 53 1HD1 LEU 53 -2.392 -1.019 -0.633 223 HD12 LEU 53 2HD1 LEU 53 -2.661 0.708 -0.400 224 HD13 LEU 53 3HD1 LEU 53 -2.373 0.072 -2.020 225 HD21 LEU 53 1HD2 LEU 53 -4.891 0.183 0.750 226 HD22 LEU 53 2HD2 LEU 53 -4.492 -1.521 0.527 227 HD23 LEU 53 3HD2 LEU 53 -6.025 -0.888 -0.074 228 H LYS 54 H LYS 54 -6.485 0.791 -4.660 229 HA LYS 54 HA LYS 54 -5.961 -1.928 -5.183 230 HB2 LYS 54 2HB LYS 54 -7.796 -0.041 -6.665 231 HB3 LYS 54 1HB LYS 54 -7.736 -1.786 -6.896 232 HG2 LYS 54 2HG LYS 54 -8.311 -2.062 -4.495 233 HG3 LYS 54 1HG LYS 54 -8.563 -0.313 -4.415 234 HD2 LYS 54 2HD LYS 54 -10.654 -1.632 -4.780 235 HD3 LYS 54 1HD LYS 54 -10.333 -0.423 -6.023 236 HE2 LYS 54 2HE LYS 54 -11.092 -2.577 -6.958 237 HE3 LYS 54 1HE LYS 54 -9.486 -2.118 -7.516 238 HZ1 LYS 54 1HZ LYS 54 -10.054 -4.059 -5.340 239 HZ2 LYS 54 2HZ LYS 54 -8.523 -3.649 -5.925 240 HZ3 LYS 54 3HZ LYS 54 -9.615 -4.467 -6.925 241 H VAL 55 H VAL 55 -5.381 0.976 -7.145 242 HA VAL 55 HA VAL 55 -4.403 -0.461 -9.385 243 HB VAL 55 HB VAL 55 -3.488 1.691 -10.167 244 HG11 VAL 55 1HG1 VAL 55 -5.815 1.160 -10.609 245 HG12 VAL 55 2HG1 VAL 55 -5.625 2.891 -10.320 246 HG13 VAL 55 3HG1 VAL 55 -6.284 1.853 -9.056 247 HG21 VAL 55 1HG2 VAL 55 -2.772 2.627 -8.037 248 HG22 VAL 55 2HG2 VAL 55 -4.453 2.761 -7.519 249 HG23 VAL 55 3HG2 VAL 55 -3.868 3.732 -8.868 250 H ALA 56 H ALA 56 -2.963 0.721 -6.432 251 HA ALA 56 HA ALA 56 -0.256 0.231 -7.097 252 HB1 ALA 56 1HB ALA 56 0.127 0.186 -4.679 253 HB2 ALA 56 2HB ALA 56 -1.610 0.096 -4.399 254 HB3 ALA 56 3HB ALA 56 -0.908 1.539 -5.131 255 H MET 57 H MET 57 -2.708 -1.720 -5.454 256 HA MET 57 HA MET 57 -1.082 -4.012 -5.154 257 HB2 MET 57 2HB MET 57 -4.094 -3.783 -5.163 258 HB3 MET 57 1HB MET 57 -3.174 -5.154 -4.556 259 HG2 MET 57 2HG MET 57 -2.955 -2.361 -3.466 260 HG3 MET 57 1HG MET 57 -4.015 -3.599 -2.802 261 HE1 MET 57 1HE MET 57 -2.600 -6.222 -2.592 262 HE2 MET 57 2HE MET 57 -3.349 -5.383 -1.234 263 HE3 MET 57 3HE MET 57 -1.726 -6.057 -1.068 264 H ARG 58 H ARG 58 -2.961 -2.801 -7.816 265 HA ARG 58 HA ARG 58 -3.035 -5.248 -9.288 266 HE ARG 58 HE ARG 58 -4.378 -1.422 -11.483 267 HB2 ARG 58 2HB ARG 58 -3.146 -2.386 -10.262 268 HB3 ARG 58 1HB ARG 58 -3.374 -3.792 -11.295 269 HG2 ARG 58 2HG ARG 58 -5.269 -4.424 -9.709 270 HG3 ARG 58 1HG ARG 58 -5.137 -2.772 -9.101 271 HD2 ARG 58 2HD ARG 58 -5.786 -3.668 -11.900 272 HD3 ARG 58 1HD ARG 58 -6.827 -2.791 -10.780 273 HH11 ARG 58 1HH1 ARG 58 -7.757 -1.929 -12.260 274 HH12 ARG 58 2HH1 ARG 58 -7.885 -0.476 -13.213 275 HH21 ARG 58 1HH2 ARG 58 -4.535 0.468 -12.722 276 HH22 ARG 58 2HH2 ARG 58 -6.036 0.879 -13.490 277 H ALA 59 H ALA 59 -0.801 -2.525 -9.090 278 HA ALA 59 HA ALA 59 1.026 -3.425 -11.053 279 HB1 ALA 59 1HB ALA 59 2.613 -1.876 -10.030 280 HB2 ALA 59 2HB ALA 59 1.565 -1.715 -8.622 281 HB3 ALA 59 3HB ALA 59 1.026 -1.129 -10.197 282 H LEU 60 H LEU 60 0.565 -4.222 -7.688 283 HA LEU 60 HA LEU 60 2.959 -5.799 -7.478 284 HG LEU 60 HG LEU 60 2.161 -4.616 -4.057 285 HB2 LEU 60 2HB LEU 60 0.587 -5.286 -5.729 286 HB3 LEU 60 1HB LEU 60 1.636 -6.644 -5.376 287 HD11 LEU 60 1HD1 LEU 60 4.323 -5.481 -5.962 288 HD12 LEU 60 2HD1 LEU 60 3.873 -6.294 -4.465 289 HD13 LEU 60 3HD1 LEU 60 4.575 -4.676 -4.413 290 HD21 LEU 60 1HD2 LEU 60 1.635 -2.899 -5.675 291 HD22 LEU 60 2HD2 LEU 60 2.935 -3.460 -6.727 292 HD23 LEU 60 3HD2 LEU 60 3.316 -2.749 -5.158 293 H GLY 61 H GLY 61 -0.081 -6.260 -8.865 294 HA2 GLY 61 2HA GLY 61 -0.487 -8.073 -10.306 295 HA3 GLY 61 1HA GLY 61 0.639 -9.044 -9.377 296 H PHE 62 H PHE 62 -1.729 -7.273 -7.589 297 HA PHE 62 HA PHE 62 -3.118 -9.819 -7.067 298 HD1 PHE 62 2HD PHE 62 -1.897 -10.826 -5.069 299 HD2 PHE 62 1HD PHE 62 -1.265 -6.676 -4.398 300 HE1 PHE 62 2HE PHE 62 0.222 -11.332 -3.924 301 HE2 PHE 62 1HE PHE 62 0.840 -7.164 -3.249 302 HZ PHE 62 HZ PHE 62 1.598 -9.503 -3.011 303 HB2 PHE 62 2HB PHE 62 -3.176 -7.331 -5.369 304 HB3 PHE 62 1HB PHE 62 -3.800 -8.915 -4.946 305 H ASP 63 H ASP 63 -3.707 -6.343 -7.442 306 HA ASP 63 HA ASP 63 -5.556 -5.088 -7.826 307 HB2 ASP 63 2HB ASP 63 -6.123 -6.648 -9.691 308 HB3 ASP 63 1HB ASP 63 -7.025 -7.637 -8.548 309 H VAL 64 H VAL 64 -6.461 -8.192 -6.323 310 HA VAL 64 HA VAL 64 -6.951 -8.652 -4.142 311 HB VAL 64 HB VAL 64 -6.835 -5.670 -3.650 312 HG11 VAL 64 1HG1 VAL 64 -8.030 -6.858 -1.902 313 HG12 VAL 64 2HG1 VAL 64 -6.476 -6.256 -1.325 314 HG13 VAL 64 3HG1 VAL 64 -6.668 -7.965 -1.719 315 HG21 VAL 64 1HG2 VAL 64 -4.729 -6.487 -4.514 316 HG22 VAL 64 2HG2 VAL 64 -4.714 -7.773 -3.307 317 HG23 VAL 64 3HG2 VAL 64 -4.583 -6.087 -2.805 318 H LYS 65 H LYS 65 -8.786 -6.829 -6.234 319 HA LYS 65 HA LYS 65 -11.004 -6.385 -6.476 320 HB2 LYS 65 2HB LYS 65 -11.412 -8.414 -4.272 321 HB3 LYS 65 1HB LYS 65 -12.614 -7.878 -5.433 322 HG2 LYS 65 2HG LYS 65 -10.108 -9.386 -6.156 323 HG3 LYS 65 1HG LYS 65 -11.680 -10.131 -5.880 324 HD2 LYS 65 2HD LYS 65 -11.721 -9.927 -8.157 325 HD3 LYS 65 1HD LYS 65 -12.453 -8.389 -7.699 326 HE2 LYS 65 2HE LYS 65 -10.315 -7.263 -7.972 327 HE3 LYS 65 1HE LYS 65 -9.533 -8.803 -8.333 328 HZ1 LYS 65 1HZ LYS 65 -10.854 -9.009 -10.315 329 HZ2 LYS 65 2HZ LYS 65 -10.044 -7.520 -10.343 330 HZ3 LYS 65 3HZ LYS 65 -11.696 -7.582 -9.964 331 H LYS 66 H LYS 66 -13.083 -5.845 -4.962 332 HA LYS 66 HA LYS 66 -12.141 -3.723 -3.263 333 HB2 LYS 66 2HB LYS 66 -14.094 -3.385 -4.694 334 HB3 LYS 66 1HB LYS 66 -14.954 -4.659 -3.844 335 HG2 LYS 66 2HG LYS 66 -15.143 -3.359 -1.882 336 HG3 LYS 66 1HG LYS 66 -13.966 -2.179 -2.462 337 HD2 LYS 66 2HD LYS 66 -15.476 -1.423 -4.166 338 HD3 LYS 66 1HD LYS 66 -16.616 -2.715 -3.793 339 HE2 LYS 66 2HE LYS 66 -15.823 -0.588 -1.813 340 HE3 LYS 66 1HE LYS 66 -17.201 -0.426 -2.902 341 HZ1 LYS 66 1HZ LYS 66 -18.062 -2.534 -1.933 342 HZ2 LYS 66 2HZ LYS 66 -17.994 -1.243 -0.841 343 HZ3 LYS 66 3HZ LYS 66 -16.824 -2.465 -0.775 344 HA PRO 67 HA PRO 67 -14.542 -6.463 0.113 345 HB2 PRO 67 2HB PRO 67 -13.722 -9.091 -1.039 346 HB3 PRO 67 1HB PRO 67 -15.171 -8.662 -0.120 347 HG2 PRO 67 2HG PRO 67 -15.307 -8.974 -2.746 348 HG3 PRO 67 1HG PRO 67 -16.191 -7.657 -1.952 349 HD2 PRO 67 2HD PRO 67 -13.666 -7.558 -3.543 350 HD3 PRO 67 1HD PRO 67 -15.000 -6.391 -3.471 351 H GLU 68 H GLU 68 -11.541 -7.784 -1.406 352 HA GLU 68 HA GLU 68 -10.527 -8.461 1.209 353 HB2 GLU 68 2HB GLU 68 -9.170 -8.493 -1.491 354 HB3 GLU 68 1HB GLU 68 -8.467 -9.109 -0.004 355 HG2 GLU 68 2HG GLU 68 -10.948 -10.152 -1.349 356 HG3 GLU 68 1HG GLU 68 -9.351 -10.897 -1.386 357 H ILE 69 H ILE 69 -10.295 -5.769 -0.999 358 HA ILE 69 HA ILE 69 -7.839 -4.856 0.203 359 HB ILE 69 HB ILE 69 -8.580 -4.650 -2.302 360 HG12 ILE 69 2HG1 ILE 69 -7.190 -2.340 -0.955 361 HG13 ILE 69 1HG1 ILE 69 -6.457 -3.925 -1.159 362 HG21 ILE 69 1HG2 ILE 69 -9.596 -2.048 -1.168 363 HG22 ILE 69 2HG2 ILE 69 -10.594 -3.320 -1.870 364 HG23 ILE 69 3HG2 ILE 69 -9.440 -2.445 -2.879 365 HD11 ILE 69 1HD1 ILE 69 -5.686 -2.470 -2.891 366 HD12 ILE 69 2HD1 ILE 69 -7.340 -2.055 -3.334 367 HD13 ILE 69 3HD1 ILE 69 -6.742 -3.690 -3.603 368 H LEU 70 H LEU 70 -11.257 -3.914 0.371 369 HA LEU 70 HA LEU 70 -10.561 -1.506 1.744 370 HG LEU 70 HG LEU 70 -14.737 -2.434 1.688 371 HB2 LEU 70 2HB LEU 70 -12.777 -0.957 1.822 372 HB3 LEU 70 1HB LEU 70 -12.751 -2.015 0.437 373 HD11 LEU 70 1HD1 LEU 70 -14.528 -4.804 2.244 374 HD12 LEU 70 2HD1 LEU 70 -12.772 -4.657 2.150 375 HD13 LEU 70 3HD1 LEU 70 -13.758 -4.395 0.710 376 HD21 LEU 70 1HD2 LEU 70 -12.973 -2.898 4.084 377 HD22 LEU 70 2HD2 LEU 70 -14.720 -3.170 4.030 378 HD23 LEU 70 3HD2 LEU 70 -14.074 -1.539 3.837 379 H GLU 71 H GLU 71 -11.390 -4.779 2.700 380 HA GLU 71 HA GLU 71 -11.522 -4.141 5.485 381 HB2 GLU 71 2HB GLU 71 -12.018 -6.435 3.862 382 HB3 GLU 71 1HB GLU 71 -10.900 -6.887 5.144 383 HG2 GLU 71 2HG GLU 71 -13.551 -5.521 5.549 384 HG3 GLU 71 1HG GLU 71 -13.236 -7.242 5.776 385 H LEU 72 H LEU 72 -9.030 -4.817 3.238 386 HA LEU 72 HA LEU 72 -6.995 -5.495 5.050 387 HG LEU 72 HG LEU 72 -4.707 -5.547 3.984 388 HB2 LEU 72 2HB LEU 72 -6.869 -5.680 2.550 389 HB3 LEU 72 1HB LEU 72 -6.748 -3.938 2.471 390 HD11 LEU 72 1HD1 LEU 72 -4.659 -4.886 1.041 391 HD12 LEU 72 2HD1 LEU 72 -4.869 -6.496 1.729 392 HD13 LEU 72 3HD1 LEU 72 -3.353 -5.626 1.966 393 HD21 LEU 72 1HD2 LEU 72 -3.264 -3.648 3.413 394 HD22 LEU 72 2HD2 LEU 72 -4.693 -3.126 4.309 395 HD23 LEU 72 3HD2 LEU 72 -4.608 -2.883 2.563 396 H MET 73 H MET 73 -8.529 -2.525 4.127 397 HA MET 73 HA MET 73 -6.535 -0.909 5.509 398 HB2 MET 73 2HB MET 73 -8.999 -0.072 3.982 399 HB3 MET 73 1HB MET 73 -7.760 1.005 4.609 400 HG2 MET 73 2HG MET 73 -6.124 -0.283 3.160 401 HG3 MET 73 1HG MET 73 -7.542 -0.981 2.380 402 HE1 MET 73 1HE MET 73 -5.760 2.330 3.377 403 HE2 MET 73 2HE MET 73 -7.425 2.568 3.907 404 HE3 MET 73 3HE MET 73 -6.774 3.535 2.580 405 H ASN 74 H ASN 74 -9.952 -1.757 5.707 406 HA ASN 74 HA ASN 74 -10.658 -0.047 7.804 407 HB2 ASN 74 2HB ASN 74 -12.404 -1.073 6.575 408 HB3 ASN 74 1HB ASN 74 -11.775 -2.689 6.878 409 HD21 ASN 74 1HD2 ASN 74 -12.344 -3.757 8.657 410 HD22 ASN 74 2HD2 ASN 74 -13.444 -3.146 9.860 411 H GLU 75 H GLU 75 -9.433 -3.391 7.909 412 HA GLU 75 HA GLU 75 -9.344 -3.523 10.733 413 HB2 GLU 75 2HB GLU 75 -7.902 -5.047 8.580 414 HB3 GLU 75 1HB GLU 75 -7.664 -5.383 10.290 415 HG2 GLU 75 2HG GLU 75 -10.328 -5.472 8.895 416 HG3 GLU 75 1HG GLU 75 -9.300 -6.876 9.185 417 H TYR 76 H TYR 76 -7.013 -2.277 8.365 418 HA TYR 76 HA TYR 76 -4.910 -2.207 10.401 419 HD1 TYR 76 1HD TYR 76 -5.587 -4.170 9.219 420 HD2 TYR 76 2HD TYR 76 -2.349 -2.865 6.788 421 HE1 TYR 76 1HE TYR 76 -4.976 -6.515 8.775 422 HE2 TYR 76 2HE TYR 76 -1.736 -5.200 6.336 423 HH TYR 76 HH TYR 76 -3.782 -7.837 7.170 424 HB2 TYR 76 2HB TYR 76 -4.873 -1.524 7.460 425 HB3 TYR 76 1HB TYR 76 -3.480 -1.367 8.511 426 H ASP 77 H ASP 77 -6.148 0.108 8.004 427 HA ASP 77 HA ASP 77 -5.083 2.171 7.675 428 HB2 ASP 77 2HB ASP 77 -6.645 3.804 8.393 429 HB3 ASP 77 1HB ASP 77 -7.532 2.328 8.065 430 H ARG 78 H ARG 78 -5.639 3.859 10.487 431 HA ARG 78 HA ARG 78 -3.016 3.199 11.564 432 HE ARG 78 HE ARG 78 -4.915 8.387 9.155 433 HB2 ARG 78 2HB ARG 78 -2.802 5.660 12.044 434 HB3 ARG 78 1HB ARG 78 -2.638 5.162 10.378 435 HG2 ARG 78 2HG ARG 78 -4.729 6.052 9.793 436 HG3 ARG 78 1HG ARG 78 -5.210 6.227 11.485 437 HD2 ARG 78 2HD ARG 78 -3.760 8.021 11.833 438 HD3 ARG 78 1HD ARG 78 -2.817 7.666 10.389 439 HH11 ARG 78 1HH1 ARG 78 -4.106 9.579 12.335 440 HH12 ARG 78 2HH1 ARG 78 -4.867 11.122 12.107 441 HH21 ARG 78 1HH2 ARG 78 -5.896 10.431 8.813 442 HH22 ARG 78 2HH2 ARG 78 -5.880 11.616 10.087 443 H GLU 79 H GLU 79 -6.210 4.651 12.245 444 HA GLU 79 HA GLU 79 -6.243 3.518 14.869 445 HB2 GLU 79 2HB GLU 79 -6.491 5.853 15.978 446 HB3 GLU 79 1HB GLU 79 -4.886 5.219 15.661 447 HG2 GLU 79 2HG GLU 79 -5.010 7.570 15.103 448 HG3 GLU 79 1HG GLU 79 -4.724 6.604 13.658 449 H GLY 80 H GLY 80 -7.875 3.969 12.332 450 HA2 GLY 80 2HA GLY 80 -10.288 3.745 12.328 451 HA3 GLY 80 1HA GLY 80 -10.347 4.861 13.687 452 H ASN 81 H ASN 81 -8.324 5.261 10.881 453 HA ASN 81 HA ASN 81 -9.622 7.819 10.314 454 HB2 ASN 81 2HB ASN 81 -7.208 7.851 10.505 455 HB3 ASN 81 1HB ASN 81 -7.059 6.574 9.307 456 HD21 ASN 81 1HD2 ASN 81 -9.261 9.323 9.067 457 HD22 ASN 81 2HD2 ASN 81 -8.465 10.049 7.711 458 H GLY 82 H GLY 82 -8.459 4.994 8.490 459 HA2 GLY 82 2HA GLY 82 -10.067 3.985 6.889 460 HA3 GLY 82 1HA GLY 82 -10.468 5.634 6.423 461 H TYR 83 H TYR 83 -7.460 6.166 6.839 462 HA TYR 83 HA TYR 83 -6.545 5.072 4.258 463 HD1 TYR 83 1HD TYR 83 -8.378 8.038 5.640 464 HD2 TYR 83 2HD TYR 83 -6.047 7.838 2.086 465 HE1 TYR 83 1HE TYR 83 -10.126 9.271 4.428 466 HE2 TYR 83 2HE TYR 83 -7.790 9.063 0.867 467 HH TYR 83 HH TYR 83 -10.185 9.499 1.033 468 HB2 TYR 83 2HB TYR 83 -5.743 7.687 5.564 469 HB3 TYR 83 1HB TYR 83 -5.128 7.068 4.040 470 H ILE 84 H ILE 84 -4.228 4.573 4.152 471 HA ILE 84 HA ILE 84 -3.015 4.294 6.822 472 HB ILE 84 HB ILE 84 -1.773 2.396 6.195 473 HG12 ILE 84 2HG1 ILE 84 -1.413 3.307 3.770 474 HG13 ILE 84 1HG1 ILE 84 -1.360 1.575 4.071 475 HG21 ILE 84 1HG2 ILE 84 -4.059 1.897 6.776 476 HG22 ILE 84 2HG2 ILE 84 -3.480 0.758 5.559 477 HG23 ILE 84 3HG2 ILE 84 -4.552 2.078 5.092 478 HD11 ILE 84 1HD1 ILE 84 -3.658 3.129 2.917 479 HD12 ILE 84 2HD1 ILE 84 -3.693 1.412 3.308 480 HD13 ILE 84 3HD1 ILE 84 -2.591 2.009 2.071 481 H GLY 85 H GLY 85 -0.664 4.451 6.884 482 HA2 GLY 85 2HA GLY 85 0.222 6.590 5.065 483 HA3 GLY 85 1HA GLY 85 0.831 6.319 6.693 484 H PHE 86 H PHE 86 2.610 6.655 4.671 485 HA PHE 86 HA PHE 86 3.482 4.460 3.254 486 HD1 PHE 86 1HD PHE 86 5.136 4.568 1.459 487 HD2 PHE 86 2HD PHE 86 7.322 6.252 4.688 488 HE1 PHE 86 1HE PHE 86 7.203 3.624 0.546 489 HE2 PHE 86 2HE PHE 86 9.390 5.324 3.782 490 HZ PHE 86 HZ PHE 86 9.331 3.918 1.760 491 HB2 PHE 86 2HB PHE 86 4.391 6.678 2.902 492 HB3 PHE 86 1HB PHE 86 5.088 6.685 4.519 493 H ASP 87 H ASP 87 3.833 5.151 6.661 494 HA ASP 87 HA ASP 87 5.940 3.409 7.276 495 HB2 ASP 87 2HB ASP 87 5.090 5.066 8.870 496 HB3 ASP 87 1HB ASP 87 3.566 4.190 8.981 497 H ASP 88 H ASP 88 2.422 2.848 7.193 498 HA ASP 88 HA ASP 88 2.680 0.077 7.921 499 HB2 ASP 88 2HB ASP 88 0.630 1.617 8.255 500 HB3 ASP 88 1HB ASP 88 0.284 1.298 6.558 501 H PHE 89 H PHE 89 2.373 1.933 4.978 502 HA PHE 89 HA PHE 89 1.742 -0.084 3.158 503 HD1 PHE 89 2HD PHE 89 0.801 0.596 0.796 504 HD2 PHE 89 1HD PHE 89 4.617 2.452 1.018 505 HE1 PHE 89 2HE PHE 89 1.146 0.156 -1.588 506 HE2 PHE 89 1HE PHE 89 4.980 2.020 -1.358 507 HZ PHE 89 HZ PHE 89 3.238 0.872 -2.686 508 HB2 PHE 89 2HB PHE 89 1.513 2.273 2.634 509 HB3 PHE 89 1HB PHE 89 3.248 2.519 2.832 510 H LEU 90 H LEU 90 4.752 0.912 4.549 511 HA LEU 90 HA LEU 90 6.539 -0.201 2.693 512 HG LEU 90 HG LEU 90 8.103 1.353 2.984 513 HB2 LEU 90 2HB LEU 90 6.631 1.198 5.099 514 HB3 LEU 90 1HB LEU 90 7.504 -0.289 5.406 515 HD11 LEU 90 1HD1 LEU 90 8.301 2.861 4.879 516 HD12 LEU 90 2HD1 LEU 90 9.890 2.450 4.234 517 HD13 LEU 90 3HD1 LEU 90 9.317 1.688 5.719 518 HD21 LEU 90 1HD2 LEU 90 10.269 0.249 3.160 519 HD22 LEU 90 2HD2 LEU 90 8.961 -0.935 3.094 520 HD23 LEU 90 3HD2 LEU 90 9.739 -0.565 4.633 521 H ASP 91 H ASP 91 5.141 -1.480 5.671 522 HA ASP 91 HA ASP 91 6.633 -3.906 5.597 523 HB2 ASP 91 2HB ASP 91 5.757 -2.844 7.635 524 HB3 ASP 91 1HB ASP 91 4.128 -3.268 7.153 525 H ILE 92 H ILE 92 4.224 -2.791 3.801 526 HA ILE 92 HA ILE 92 2.786 -5.284 3.296 527 HB ILE 92 HB ILE 92 2.572 -2.478 2.248 528 HG12 ILE 92 2HG1 ILE 92 2.104 -3.009 4.663 529 HG13 ILE 92 1HG1 ILE 92 0.823 -2.187 3.772 530 HG21 ILE 92 1HG2 ILE 92 0.732 -4.835 1.793 531 HG22 ILE 92 2HG2 ILE 92 1.744 -4.054 0.579 532 HG23 ILE 92 3HG2 ILE 92 0.398 -3.173 1.303 533 HD11 ILE 92 1HD1 ILE 92 -0.331 -4.332 3.492 534 HD12 ILE 92 2HD1 ILE 92 -0.091 -3.922 5.192 535 HD13 ILE 92 3HD1 ILE 92 0.949 -5.117 4.417 536 H MET 93 H MET 93 4.687 -2.843 1.572 537 HA MET 93 HA MET 93 5.045 -4.458 -0.729 538 HB2 MET 93 2HB MET 93 6.506 -2.056 0.322 539 HB3 MET 93 1HB MET 93 6.973 -2.861 -1.172 540 HG2 MET 93 2HG MET 93 4.422 -2.532 -1.739 541 HG3 MET 93 1HG MET 93 4.570 -1.232 -0.557 542 HE1 MET 93 1HE MET 93 7.025 -1.519 -4.442 543 HE2 MET 93 2HE MET 93 5.794 -2.684 -3.951 544 HE3 MET 93 3HE MET 93 7.307 -2.567 -3.054 545 H THR 94 H THR 94 6.415 -4.414 2.408 546 HA THR 94 HA THR 94 8.420 -6.380 1.555 547 HB THR 94 HB THR 94 9.151 -6.413 3.905 548 HG1 THR 94 1HG THR 94 8.156 -5.223 5.426 549 HG21 THR 94 1HG2 THR 94 10.164 -4.820 2.344 550 HG22 THR 94 2HG2 THR 94 10.084 -4.149 3.972 551 HG23 THR 94 3HG2 THR 94 8.923 -3.634 2.747 552 H GLU 95 H GLU 95 5.215 -6.225 2.725 553 HA GLU 95 HA GLU 95 5.085 -8.470 4.369 554 HB2 GLU 95 2HB GLU 95 3.272 -6.776 4.049 555 HB3 GLU 95 1HB GLU 95 2.887 -7.560 2.520 556 HG2 GLU 95 2HG GLU 95 1.378 -8.322 4.235 557 HG3 GLU 95 1HG GLU 95 2.432 -9.647 3.743 558 H LYS 96 H LYS 96 4.711 -8.117 0.895 559 HA LYS 96 HA LYS 96 3.750 -10.784 0.633 560 HB2 LYS 96 2HB LYS 96 3.748 -10.178 -1.852 561 HB3 LYS 96 1HB LYS 96 2.678 -9.291 -0.779 562 HG2 LYS 96 2HG LYS 96 3.571 -7.631 -2.106 563 HG3 LYS 96 1HG LYS 96 4.591 -7.563 -0.670 564 HD2 LYS 96 2HD LYS 96 5.648 -9.447 -2.564 565 HD3 LYS 96 1HD LYS 96 5.401 -7.875 -3.327 566 HE2 LYS 96 2HE LYS 96 6.570 -7.037 -1.095 567 HE3 LYS 96 1HE LYS 96 7.217 -8.675 -1.126 568 HZ1 LYS 96 1HZ LYS 96 8.014 -8.258 -3.405 569 HZ2 LYS 96 2HZ LYS 96 8.727 -7.216 -2.270 570 HZ3 LYS 96 3HZ LYS 96 7.494 -6.648 -3.286 571 H ILE 97 H ILE 97 6.910 -9.547 0.682 572 HA ILE 97 HA ILE 97 7.885 -11.934 -0.713 573 HB ILE 97 HB ILE 97 10.194 -11.006 -0.028 574 HG12 ILE 97 2HG1 ILE 97 10.046 -8.402 -0.041 575 HG13 ILE 97 1HG1 ILE 97 8.429 -8.680 0.601 576 HG21 ILE 97 1HG2 ILE 97 9.381 -11.090 -2.308 577 HG22 ILE 97 2HG2 ILE 97 10.279 -9.600 -2.021 578 HG23 ILE 97 3HG2 ILE 97 8.518 -9.571 -2.070 579 HD11 ILE 97 1HD1 ILE 97 10.014 -8.319 2.388 580 HD12 ILE 97 2HD1 ILE 97 11.001 -9.661 1.809 581 HD13 ILE 97 3HD1 ILE 97 9.379 -9.966 2.437 582 H LYS 98 H LYS 98 7.270 -10.694 2.365 583 HA LYS 98 HA LYS 98 9.124 -12.338 3.832 584 HB2 LYS 98 2HB LYS 98 8.707 -10.093 4.529 585 HB3 LYS 98 1HB LYS 98 6.975 -10.346 4.503 586 HG2 LYS 98 2HG LYS 98 7.579 -12.127 6.352 587 HG3 LYS 98 1HG LYS 98 8.969 -11.053 6.559 588 HD2 LYS 98 2HD LYS 98 6.106 -10.569 7.103 589 HD3 LYS 98 1HD LYS 98 7.536 -9.920 7.909 590 HE2 LYS 98 2HE LYS 98 7.860 -8.282 6.218 591 HE3 LYS 98 1HE LYS 98 6.710 -9.072 5.128 592 HZ1 LYS 98 1HZ LYS 98 5.972 -7.818 7.732 593 HZ2 LYS 98 2HZ LYS 98 4.913 -8.442 6.563 594 HZ3 LYS 98 3HZ LYS 98 5.828 -7.055 6.229 595 H ASN 99 H ASN 99 5.610 -11.837 3.962 596 HA ASN 99 HA ASN 99 5.285 -14.720 4.475 597 HB2 ASN 99 2HB ASN 99 4.537 -13.078 6.312 598 HB3 ASN 99 1HB ASN 99 3.270 -12.579 5.197 599 HD21 ASN 99 1HD2 ASN 99 1.662 -14.086 4.617 600 HD22 ASN 99 2HD2 ASN 99 1.320 -15.462 5.608 601 H ARG 100 H ARG 100 5.695 -14.263 2.027 602 HA ARG 100 HA ARG 100 3.773 -13.131 0.393 603 HE ARG 100 HE ARG 100 5.427 -15.621 -2.847 604 HB2 ARG 100 2HB ARG 100 4.714 -14.443 -1.436 605 HB3 ARG 100 1HB ARG 100 5.968 -13.738 -0.430 606 HG2 ARG 100 2HG ARG 100 6.290 -15.908 0.661 607 HG3 ARG 100 1HG ARG 100 5.062 -16.606 -0.401 608 HD2 ARG 100 2HD ARG 100 7.621 -15.290 -1.302 609 HD3 ARG 100 1HD ARG 100 7.343 -17.029 -1.213 610 HH11 ARG 100 1HH1 ARG 100 8.581 -17.136 -2.783 611 HH12 ARG 100 2HH1 ARG 100 8.580 -17.512 -4.482 612 HH21 ARG 100 1HH2 ARG 100 5.412 -16.131 -5.088 613 HH22 ARG 100 2HH2 ARG 100 6.774 -16.953 -5.785 614 H ASP 101 H ASP 101 3.865 -16.293 1.862 615 HA ASP 101 HA ASP 101 1.317 -16.986 0.575 616 HB2 ASP 101 2HB ASP 101 3.106 -18.663 0.308 617 HB3 ASP 101 1HB ASP 101 3.279 -18.757 2.057 Start of MODEL 4 1 HA LEU 25 HA LEU 25 15.536 -4.152 3.206 2 HG LEU 25 HG LEU 25 13.140 -4.668 2.637 3 H1 LEU 25 1HT LEU 25 13.944 -3.676 4.957 4 H2 LEU 25 2HT LEU 25 14.455 -2.060 5.006 5 H3 LEU 25 3HT LEU 25 15.522 -3.301 5.448 6 HB2 LEU 25 2HB LEU 25 13.798 -1.748 2.609 7 HB3 LEU 25 1HB LEU 25 14.509 -2.803 1.405 8 HD11 LEU 25 1HD1 LEU 25 12.403 -3.252 4.492 9 HD12 LEU 25 2HD1 LEU 25 11.038 -3.863 3.556 10 HD13 LEU 25 3HD1 LEU 25 11.570 -2.195 3.351 11 HD21 LEU 25 1HD2 LEU 25 12.809 -4.018 0.329 12 HD22 LEU 25 2HD2 LEU 25 11.890 -2.600 0.835 13 HD23 LEU 25 3HD2 LEU 25 11.251 -4.218 1.131 14 H SER 26 H SER 26 16.649 -2.879 1.303 15 HA SER 26 HA SER 26 18.623 -1.127 2.495 16 HG SER 26 HG SER 26 20.360 -2.914 1.319 17 HB2 SER 26 2HB SER 26 18.289 -2.078 -0.361 18 HB3 SER 26 1HB SER 26 19.676 -1.185 0.260 19 H GLU 27 H GLU 27 19.164 0.968 1.496 20 HA GLU 27 HA GLU 27 16.959 2.679 1.486 21 HB2 GLU 27 2HB GLU 27 19.810 3.056 0.610 22 HB3 GLU 27 1HB GLU 27 18.633 4.364 0.564 23 HG2 GLU 27 2HG GLU 27 19.198 2.791 3.053 24 HG3 GLU 27 1HG GLU 27 20.116 4.232 2.610 25 H GLU 28 H GLU 28 18.660 1.137 -1.203 26 HA GLU 28 HA GLU 28 17.554 2.721 -3.258 27 HB2 GLU 28 2HB GLU 28 18.139 0.884 -4.777 28 HB3 GLU 28 1HB GLU 28 19.458 1.253 -3.675 29 HG2 GLU 28 2HG GLU 28 19.057 -0.690 -2.394 30 HG3 GLU 28 1HG GLU 28 17.503 -0.980 -3.186 31 H GLN 29 H GLN 29 16.510 -0.361 -1.863 32 HA GLN 29 HA GLN 29 14.191 -0.727 -3.354 33 HB2 GLN 29 2HB GLN 29 14.539 -1.508 -0.466 34 HB3 GLN 29 1HB GLN 29 13.602 -2.315 -1.705 35 HG2 GLN 29 2HG GLN 29 15.668 -2.916 -2.871 36 HG3 GLN 29 1HG GLN 29 16.591 -2.157 -1.576 37 HE21 GLN 29 1HE2 GLN 29 14.526 -4.815 -2.438 38 HE22 GLN 29 2HE2 GLN 29 14.867 -5.797 -1.049 39 H LYS 30 H LYS 30 14.779 0.916 -0.282 40 HA LYS 30 HA LYS 30 12.188 1.681 0.352 41 HB2 LYS 30 2HB LYS 30 14.869 2.927 0.884 42 HB3 LYS 30 1HB LYS 30 13.386 3.709 1.424 43 HG2 LYS 30 2HG LYS 30 12.828 1.930 2.803 44 HG3 LYS 30 1HG LYS 30 14.008 0.870 2.069 45 HD2 LYS 30 2HD LYS 30 14.986 1.445 4.106 46 HD3 LYS 30 1HD LYS 30 15.744 2.556 2.962 47 HE2 LYS 30 2HE LYS 30 14.226 4.316 3.615 48 HE3 LYS 30 1HE LYS 30 13.349 3.207 4.669 49 HZ1 LYS 30 1HZ LYS 30 14.842 4.558 5.953 50 HZ2 LYS 30 2HZ LYS 30 16.168 4.099 4.992 51 HZ3 LYS 30 3HZ LYS 30 15.394 2.952 5.981 52 H GLN 31 H GLN 31 14.581 3.315 -1.679 53 HA GLN 31 HA GLN 31 13.083 5.612 -2.141 54 HB2 GLN 31 2HB GLN 31 15.121 4.282 -3.935 55 HB3 GLN 31 1HB GLN 31 14.495 5.907 -4.175 56 HG2 GLN 31 2HG GLN 31 16.027 4.976 -1.758 57 HG3 GLN 31 1HG GLN 31 16.704 5.871 -3.114 58 HE21 GLN 31 1HE2 GLN 31 17.350 7.543 -1.811 59 HE22 GLN 31 2HE2 GLN 31 16.235 8.679 -1.123 60 H GLU 32 H GLU 32 13.201 2.546 -3.909 61 HA GLU 32 HA GLU 32 11.454 3.176 -5.999 62 HB2 GLU 32 2HB GLU 32 11.943 0.550 -4.579 63 HB3 GLU 32 1HB GLU 32 10.987 0.700 -6.045 64 HG2 GLU 32 2HG GLU 32 13.893 1.444 -5.786 65 HG3 GLU 32 1HG GLU 32 13.275 -0.055 -6.477 66 H ILE 33 H ILE 33 10.831 2.230 -2.686 67 HA ILE 33 HA ILE 33 8.054 1.713 -3.004 68 HB ILE 33 HB ILE 33 9.652 2.339 -0.515 69 HG12 ILE 33 2HG1 ILE 33 8.728 -0.280 -1.722 70 HG13 ILE 33 1HG1 ILE 33 10.380 0.323 -1.720 71 HG21 ILE 33 1HG2 ILE 33 6.873 1.192 -0.786 72 HG22 ILE 33 2HG2 ILE 33 7.284 2.785 -0.153 73 HG23 ILE 33 3HG2 ILE 33 7.782 1.335 0.720 74 HD11 ILE 33 1HD1 ILE 33 10.468 0.147 0.684 75 HD12 ILE 33 2HD1 ILE 33 9.997 -1.397 -0.029 76 HD13 ILE 33 3HD1 ILE 33 8.782 -0.367 0.730 77 H LYS 34 H LYS 34 9.908 4.609 -2.440 78 HA LYS 34 HA LYS 34 7.502 6.141 -1.782 79 HB2 LYS 34 2HB LYS 34 9.781 7.808 -2.239 80 HB3 LYS 34 1HB LYS 34 8.873 7.563 -0.750 81 HG2 LYS 34 2HG LYS 34 10.336 5.300 -0.839 82 HG3 LYS 34 1HG LYS 34 11.436 6.444 -1.612 83 HD2 LYS 34 2HD LYS 34 11.206 7.931 0.302 84 HD3 LYS 34 1HD LYS 34 10.082 6.778 1.044 85 HE2 LYS 34 2HE LYS 34 11.813 5.085 1.137 86 HE3 LYS 34 1HE LYS 34 12.926 6.139 0.261 87 HZ1 LYS 34 1HZ LYS 34 13.553 6.408 2.472 88 HZ2 LYS 34 2HZ LYS 34 11.960 6.384 3.045 89 HZ3 LYS 34 3HZ LYS 34 12.539 7.746 2.223 90 H GLU 35 H GLU 35 9.877 5.695 -4.262 91 HA GLU 35 HA GLU 35 9.054 7.484 -6.187 92 HB2 GLU 35 2HB GLU 35 10.947 5.754 -6.181 93 HB3 GLU 35 1HB GLU 35 9.733 4.585 -6.692 94 HG2 GLU 35 2HG GLU 35 10.928 5.353 -8.610 95 HG3 GLU 35 1HG GLU 35 9.271 5.947 -8.682 96 H ALA 36 H ALA 36 7.710 4.398 -5.176 97 HA ALA 36 HA ALA 36 5.420 4.572 -6.911 98 HB1 ALA 36 1HB ALA 36 5.908 2.764 -4.548 99 HB2 ALA 36 2HB ALA 36 6.351 2.405 -6.216 100 HB3 ALA 36 3HB ALA 36 4.652 2.575 -5.771 101 H PHE 37 H PHE 37 6.141 5.238 -3.484 102 HA PHE 37 HA PHE 37 3.595 5.590 -2.486 103 HD1 PHE 37 1HD PHE 37 3.022 5.629 -0.344 104 HD2 PHE 37 2HD PHE 37 5.862 8.791 -0.215 105 HE1 PHE 37 1HE PHE 37 1.803 6.646 1.524 106 HE2 PHE 37 2HE PHE 37 4.653 9.811 1.653 107 HZ PHE 37 HZ PHE 37 2.609 8.745 2.532 108 HB2 PHE 37 2HB PHE 37 5.714 5.602 -1.173 109 HB3 PHE 37 1HB PHE 37 6.063 7.201 -1.817 110 H ASP 38 H ASP 38 5.722 8.124 -3.831 111 HA ASP 38 HA ASP 38 3.775 10.174 -3.724 112 HB2 ASP 38 2HB ASP 38 6.243 9.929 -5.457 113 HB3 ASP 38 1HB ASP 38 5.281 11.394 -5.293 114 H LEU 39 H LEU 39 4.626 7.799 -6.142 115 HA LEU 39 HA LEU 39 3.221 8.890 -8.320 116 HG LEU 39 HG LEU 39 2.185 5.890 -9.205 117 HB2 LEU 39 2HB LEU 39 4.856 7.204 -8.706 118 HB3 LEU 39 1HB LEU 39 4.053 6.082 -7.625 119 HD11 LEU 39 1HD1 LEU 39 2.400 6.813 -11.461 120 HD12 LEU 39 2HD1 LEU 39 3.857 7.676 -10.963 121 HD13 LEU 39 3HD1 LEU 39 2.301 8.077 -10.236 122 HD21 LEU 39 1HD2 LEU 39 4.016 4.307 -9.322 123 HD22 LEU 39 2HD2 LEU 39 4.900 5.383 -10.406 124 HD23 LEU 39 3HD2 LEU 39 3.388 4.645 -10.934 125 H PHE 40 H PHE 40 2.226 6.576 -5.811 126 HA PHE 40 HA PHE 40 -0.332 6.217 -7.089 127 HD1 PHE 40 1HD PHE 40 -0.307 4.375 -7.979 128 HD2 PHE 40 2HD PHE 40 2.110 3.263 -4.656 129 HE1 PHE 40 1HE PHE 40 0.725 2.603 -9.330 130 HE2 PHE 40 2HE PHE 40 3.148 1.487 -6.006 131 HZ PHE 40 HZ PHE 40 2.455 1.156 -8.347 132 HB2 PHE 40 2HB PHE 40 0.754 5.133 -4.491 133 HB3 PHE 40 1HB PHE 40 -0.816 4.718 -5.173 134 H ASP 41 H ASP 41 0.944 8.295 -4.643 135 HA ASP 41 HA ASP 41 -1.501 9.010 -3.410 136 HB2 ASP 41 2HB ASP 41 0.716 9.697 -2.516 137 HB3 ASP 41 1HB ASP 41 0.924 10.767 -3.897 138 H THR 42 H THR 42 -3.232 9.693 -4.465 139 HA THR 42 HA THR 42 -2.807 11.351 -6.865 140 HB THR 42 HB THR 42 -5.017 10.451 -7.645 141 HG1 THR 42 1HG THR 42 -4.657 8.892 -5.291 142 HG21 THR 42 1HG2 THR 42 -4.122 8.250 -8.327 143 HG22 THR 42 2HG2 THR 42 -2.809 8.441 -7.165 144 HG23 THR 42 3HG2 THR 42 -2.942 9.545 -8.535 145 H ASN 43 H ASN 43 -3.312 12.032 -3.905 146 HA ASN 43 HA ASN 43 -5.590 13.824 -4.430 147 HB2 ASN 43 2HB ASN 43 -5.106 12.196 -1.943 148 HB3 ASN 43 1HB ASN 43 -6.218 13.562 -1.995 149 HD21 ASN 43 1HD2 ASN 43 -5.676 10.275 -2.884 150 HD22 ASN 43 2HD2 ASN 43 -7.259 9.973 -3.527 151 H LYS 44 H LYS 44 -2.416 13.464 -3.297 152 HA LYS 44 HA LYS 44 -0.904 14.842 -2.350 153 HB2 LYS 44 2HB LYS 44 -1.635 16.579 -3.920 154 HB3 LYS 44 1HB LYS 44 -2.955 17.020 -2.850 155 HG2 LYS 44 2HG LYS 44 -0.199 17.162 -1.751 156 HG3 LYS 44 1HG LYS 44 -0.678 18.381 -2.934 157 HD2 LYS 44 2HD LYS 44 -2.536 19.057 -1.567 158 HD3 LYS 44 1HD LYS 44 -2.259 17.724 -0.448 159 HE2 LYS 44 2HE LYS 44 -1.432 19.757 0.529 160 HE3 LYS 44 1HE LYS 44 -0.069 18.716 0.130 161 HZ1 LYS 44 1HZ LYS 44 0.138 21.150 -0.450 162 HZ2 LYS 44 2HZ LYS 44 -0.984 20.862 -1.691 163 HZ3 LYS 44 3HZ LYS 44 0.506 20.046 -1.684 164 H THR 45 H THR 45 -0.999 13.773 -0.448 165 HA THR 45 HA THR 45 -1.833 15.339 1.797 166 HB THR 45 HB THR 45 -3.987 14.325 1.325 167 HG1 THR 45 1HG THR 45 -2.568 13.782 3.619 168 HG21 THR 45 1HG2 THR 45 -3.207 12.354 0.085 169 HG22 THR 45 2HG2 THR 45 -4.334 11.915 1.368 170 HG23 THR 45 3HG2 THR 45 -2.605 11.653 1.589 171 H GLY 46 H GLY 46 -0.039 12.847 0.358 172 HA2 GLY 46 2HA GLY 46 1.834 11.742 1.125 173 HA3 GLY 46 1HA GLY 46 1.683 12.631 2.637 174 H SER 47 H SER 47 -0.857 10.719 1.226 175 HA SER 47 HA SER 47 -0.469 8.471 2.986 176 HG SER 47 HG SER 47 -0.442 10.321 4.512 177 HB2 SER 47 2HB SER 47 -2.870 10.287 3.365 178 HB3 SER 47 1HB SER 47 -2.587 8.761 4.199 179 H ILE 48 H ILE 48 -1.984 6.745 2.471 180 HA ILE 48 HA ILE 48 -3.230 7.129 -0.182 181 HB ILE 48 HB ILE 48 -1.859 4.649 0.880 182 HG12 ILE 48 2HG1 ILE 48 -0.276 6.419 0.246 183 HG13 ILE 48 1HG1 ILE 48 -0.189 5.055 -0.862 184 HG21 ILE 48 1HG2 ILE 48 -2.208 3.719 -1.359 185 HG22 ILE 48 2HG2 ILE 48 -3.142 5.149 -1.802 186 HG23 ILE 48 3HG2 ILE 48 -3.732 4.065 -0.541 187 HD11 ILE 48 1HD1 ILE 48 -0.056 7.185 -2.029 188 HD12 ILE 48 2HD1 ILE 48 -1.630 7.645 -1.380 189 HD13 ILE 48 3HD1 ILE 48 -1.499 6.286 -2.498 190 H ASP 49 H ASP 49 -5.347 6.608 -0.342 191 HA ASP 49 HA ASP 49 -6.534 5.053 1.861 192 HB2 ASP 49 2HB ASP 49 -8.493 6.186 1.597 193 HB3 ASP 49 1HB ASP 49 -7.430 7.400 0.897 194 H TYR 50 H TYR 50 -8.415 3.632 1.133 195 HA TYR 50 HA TYR 50 -7.278 1.496 -0.190 196 HD1 TYR 50 2HD TYR 50 -10.015 3.011 2.434 197 HD2 TYR 50 1HD TYR 50 -11.419 1.671 -1.349 198 HE1 TYR 50 2HE TYR 50 -12.030 4.390 2.701 199 HE2 TYR 50 1HE TYR 50 -13.437 3.048 -1.095 200 HH TYR 50 HH TYR 50 -14.745 4.120 0.582 201 HB2 TYR 50 2HB TYR 50 -9.599 0.533 -0.232 202 HB3 TYR 50 1HB TYR 50 -9.020 1.062 1.340 203 H HIS 51 H HIS 51 -9.261 4.077 -1.637 204 HA HIS 51 HA HIS 51 -9.673 2.385 -3.954 205 HD1 HIS 51 1HD HIS 51 -10.998 6.063 -1.747 206 HD2 HIS 51 2HD HIS 51 -10.279 6.404 -5.822 207 HE1 HIS 51 1HE HIS 51 -10.998 8.530 -2.228 208 HE2 HIS 51 2HE HIS 51 -10.350 8.713 -4.657 209 HB2 HIS 51 2HB HIS 51 -11.194 3.952 -4.814 210 HB3 HIS 51 1HB HIS 51 -11.478 3.902 -3.082 211 H GLU 52 H GLU 52 -7.365 4.779 -3.026 212 HA GLU 52 HA GLU 52 -6.389 4.816 -5.787 213 HB2 GLU 52 2HB GLU 52 -4.785 6.473 -5.113 214 HB3 GLU 52 1HB GLU 52 -6.374 6.949 -4.543 215 HG2 GLU 52 2HG GLU 52 -5.697 5.945 -2.310 216 HG3 GLU 52 1HG GLU 52 -4.060 5.901 -2.962 217 H LEU 53 H LEU 53 -5.806 3.377 -2.701 218 HA LEU 53 HA LEU 53 -3.305 2.184 -3.085 219 HG LEU 53 HG LEU 53 -4.213 -0.717 -2.151 220 HB2 LEU 53 2HB LEU 53 -4.439 2.046 -0.957 221 HB3 LEU 53 1HB LEU 53 -5.789 1.192 -1.676 222 HD11 LEU 53 1HD1 LEU 53 -2.154 -0.819 -0.847 223 HD12 LEU 53 2HD1 LEU 53 -2.407 0.846 -0.320 224 HD13 LEU 53 3HD1 LEU 53 -2.114 0.494 -2.024 225 HD21 LEU 53 1HD2 LEU 53 -4.644 0.095 0.719 226 HD22 LEU 53 2HD2 LEU 53 -4.253 -1.532 0.164 227 HD23 LEU 53 3HD2 LEU 53 -5.780 -0.783 -0.304 228 H LYS 54 H LYS 54 -6.310 1.669 -4.571 229 HA LYS 54 HA LYS 54 -6.291 -0.980 -5.342 230 HB2 LYS 54 2HB LYS 54 -8.111 0.722 -5.497 231 HB3 LYS 54 1HB LYS 54 -7.337 1.350 -6.941 232 HG2 LYS 54 2HG LYS 54 -7.739 -0.695 -8.115 233 HG3 LYS 54 1HG LYS 54 -8.338 -1.472 -6.641 234 HD2 LYS 54 2HD LYS 54 -10.086 0.348 -6.550 235 HD3 LYS 54 1HD LYS 54 -9.574 0.808 -8.170 236 HE2 LYS 54 2HE LYS 54 -10.195 -1.345 -9.033 237 HE3 LYS 54 1HE LYS 54 -10.563 -1.932 -7.410 238 HZ1 LYS 54 1HZ LYS 54 -11.993 0.208 -8.896 239 HZ2 LYS 54 2HZ LYS 54 -12.286 -0.187 -7.273 240 HZ3 LYS 54 3HZ LYS 54 -12.594 -1.328 -8.488 241 H VAL 55 H VAL 55 -4.854 1.817 -7.025 242 HA VAL 55 HA VAL 55 -3.969 0.199 -9.218 243 HB VAL 55 HB VAL 55 -2.757 2.162 -10.009 244 HG11 VAL 55 1HG1 VAL 55 -4.663 3.689 -10.269 245 HG12 VAL 55 2HG1 VAL 55 -5.523 2.813 -9.003 246 HG13 VAL 55 3HG1 VAL 55 -5.121 2.003 -10.516 247 HG21 VAL 55 1HG2 VAL 55 -2.808 4.270 -8.779 248 HG22 VAL 55 2HG2 VAL 55 -1.958 3.020 -7.872 249 HG23 VAL 55 3HG2 VAL 55 -3.605 3.468 -7.426 250 H ALA 56 H ALA 56 -2.722 1.101 -6.136 251 HA ALA 56 HA ALA 56 -0.003 0.381 -6.618 252 HB1 ALA 56 1HB ALA 56 -1.547 0.526 -4.025 253 HB2 ALA 56 2HB ALA 56 -0.614 1.835 -4.754 254 HB3 ALA 56 3HB ALA 56 0.204 0.384 -4.173 255 H MET 57 H MET 57 -2.848 -1.269 -5.277 256 HA MET 57 HA MET 57 -1.665 -3.749 -4.727 257 HB2 MET 57 2HB MET 57 -4.447 -3.443 -5.842 258 HB3 MET 57 1HB MET 57 -3.850 -4.708 -4.786 259 HG2 MET 57 2HG MET 57 -3.493 -2.586 -3.190 260 HG3 MET 57 1HG MET 57 -4.824 -2.006 -4.164 261 HE1 MET 57 1HE MET 57 -3.567 -4.924 -1.866 262 HE2 MET 57 2HE MET 57 -4.162 -5.789 -3.284 263 HE3 MET 57 3HE MET 57 -5.015 -5.925 -1.748 264 H ARG 58 H ARG 58 -2.973 -2.373 -7.657 265 HA ARG 58 HA ARG 58 -2.847 -4.620 -9.326 266 HE ARG 58 HE ARG 58 -3.852 -3.368 -14.005 267 HB2 ARG 58 2HB ARG 58 -4.055 -2.517 -9.830 268 HB3 ARG 58 1HB ARG 58 -2.515 -1.698 -10.044 269 HG2 ARG 58 2HG ARG 58 -2.008 -3.210 -11.921 270 HG3 ARG 58 1HG ARG 58 -3.600 -3.949 -11.726 271 HD2 ARG 58 2HD ARG 58 -4.571 -1.641 -12.018 272 HD3 ARG 58 1HD ARG 58 -2.960 -1.110 -12.493 273 HH11 ARG 58 1HH1 ARG 58 -3.985 0.125 -13.750 274 HH12 ARG 58 2HH1 ARG 58 -4.487 0.349 -15.403 275 HH21 ARG 58 1HH2 ARG 58 -4.481 -3.080 -16.168 276 HH22 ARG 58 2HH2 ARG 58 -4.740 -1.479 -16.786 277 H ALA 59 H ALA 59 -0.548 -1.920 -8.956 278 HA ALA 59 HA ALA 59 1.381 -2.877 -10.747 279 HB1 ALA 59 1HB ALA 59 2.891 -1.273 -9.732 280 HB2 ALA 59 2HB ALA 59 1.808 -1.101 -8.351 281 HB3 ALA 59 3HB ALA 59 1.290 -0.564 -9.949 282 H LEU 60 H LEU 60 0.790 -3.671 -7.407 283 HA LEU 60 HA LEU 60 3.287 -5.081 -7.076 284 HG LEU 60 HG LEU 60 1.968 -2.891 -5.406 285 HB2 LEU 60 2HB LEU 60 0.781 -5.085 -5.404 286 HB3 LEU 60 1HB LEU 60 2.290 -5.856 -4.954 287 HD11 LEU 60 1HD1 LEU 60 2.062 -4.465 -2.842 288 HD12 LEU 60 2HD1 LEU 60 0.642 -3.667 -3.517 289 HD13 LEU 60 3HD1 LEU 60 2.023 -2.706 -2.983 290 HD21 LEU 60 1HD2 LEU 60 4.144 -2.752 -4.295 291 HD22 LEU 60 2HD2 LEU 60 4.242 -3.718 -5.767 292 HD23 LEU 60 3HD2 LEU 60 4.210 -4.511 -4.192 293 H GLY 61 H GLY 61 -0.124 -5.955 -7.455 294 HA2 GLY 61 2HA GLY 61 -0.700 -7.796 -8.882 295 HA3 GLY 61 1HA GLY 61 0.782 -8.595 -8.388 296 H PHE 62 H PHE 62 -2.316 -7.437 -7.164 297 HA PHE 62 HA PHE 62 -2.385 -9.800 -5.400 298 HD1 PHE 62 2HD PHE 62 -2.257 -9.596 -2.633 299 HD2 PHE 62 1HD PHE 62 -1.685 -5.807 -4.483 300 HE1 PHE 62 2HE PHE 62 -0.395 -9.129 -1.094 301 HE2 PHE 62 1HE PHE 62 0.174 -5.333 -2.948 302 HZ PHE 62 HZ PHE 62 0.822 -6.997 -1.251 303 HB2 PHE 62 2HB PHE 62 -3.596 -7.067 -4.973 304 HB3 PHE 62 1HB PHE 62 -4.033 -8.476 -4.015 305 H ASP 63 H ASP 63 -4.705 -10.473 -4.899 306 HA ASP 63 HA ASP 63 -6.142 -10.708 -7.393 307 HB2 ASP 63 2HB ASP 63 -6.650 -11.862 -4.648 308 HB3 ASP 63 1HB ASP 63 -7.703 -12.147 -6.031 309 H VAL 64 H VAL 64 -6.208 -8.731 -4.667 310 HA VAL 64 HA VAL 64 -7.504 -7.077 -3.905 311 HB VAL 64 HB VAL 64 -8.315 -5.462 -5.623 312 HG11 VAL 64 1HG1 VAL 64 -6.053 -4.972 -6.421 313 HG12 VAL 64 2HG1 VAL 64 -5.540 -6.574 -5.889 314 HG13 VAL 64 3HG1 VAL 64 -6.093 -5.385 -4.709 315 HG21 VAL 64 1HG2 VAL 64 -6.948 -7.181 -7.670 316 HG22 VAL 64 2HG2 VAL 64 -8.033 -5.811 -7.919 317 HG23 VAL 64 3HG2 VAL 64 -8.674 -7.365 -7.381 318 H LYS 65 H LYS 65 -9.785 -6.457 -6.143 319 HA LYS 65 HA LYS 65 -12.012 -6.764 -6.358 320 HB2 LYS 65 2HB LYS 65 -11.697 -9.171 -4.558 321 HB3 LYS 65 1HB LYS 65 -13.074 -8.796 -5.590 322 HG2 LYS 65 2HG LYS 65 -10.294 -9.281 -6.612 323 HG3 LYS 65 1HG LYS 65 -11.529 -10.522 -6.507 324 HD2 LYS 65 2HD LYS 65 -12.335 -9.873 -8.475 325 HD3 LYS 65 1HD LYS 65 -12.659 -8.274 -7.801 326 HE2 LYS 65 2HE LYS 65 -11.234 -8.153 -9.793 327 HE3 LYS 65 1HE LYS 65 -10.415 -7.548 -8.351 328 HZ1 LYS 65 1HZ LYS 65 -9.074 -9.047 -9.831 329 HZ2 LYS 65 2HZ LYS 65 -10.070 -10.329 -9.330 330 HZ3 LYS 65 3HZ LYS 65 -9.131 -9.491 -8.196 331 H LYS 66 H LYS 66 -14.005 -6.578 -5.052 332 HA LYS 66 HA LYS 66 -13.820 -4.386 -3.465 333 HB2 LYS 66 2HB LYS 66 -15.877 -5.772 -4.460 334 HB3 LYS 66 1HB LYS 66 -16.012 -6.273 -2.781 335 HG2 LYS 66 2HG LYS 66 -15.948 -3.406 -3.693 336 HG3 LYS 66 1HG LYS 66 -17.424 -4.323 -3.390 337 HD2 LYS 66 2HD LYS 66 -16.739 -4.641 -1.058 338 HD3 LYS 66 1HD LYS 66 -15.260 -3.727 -1.367 339 HE2 LYS 66 2HE LYS 66 -16.961 -2.340 -0.288 340 HE3 LYS 66 1HE LYS 66 -16.577 -1.751 -1.903 341 HZ1 LYS 66 1HZ LYS 66 -18.982 -1.783 -1.379 342 HZ2 LYS 66 2HZ LYS 66 -18.914 -3.473 -1.277 343 HZ3 LYS 66 3HZ LYS 66 -18.583 -2.699 -2.750 344 HA PRO 67 HA PRO 67 -14.161 -6.933 0.639 345 HB2 PRO 67 2HB PRO 67 -13.242 -9.510 0.578 346 HB3 PRO 67 1HB PRO 67 -14.938 -9.052 0.406 347 HG2 PRO 67 2HG PRO 67 -12.935 -9.735 -1.707 348 HG3 PRO 67 1HG PRO 67 -14.641 -10.205 -1.584 349 HD2 PRO 67 2HD PRO 67 -13.824 -8.232 -3.216 350 HD3 PRO 67 1HD PRO 67 -15.389 -8.170 -2.378 351 H GLU 68 H GLU 68 -11.353 -8.010 -1.394 352 HA GLU 68 HA GLU 68 -9.790 -8.177 1.050 353 HB2 GLU 68 2HB GLU 68 -9.084 -8.856 -1.800 354 HB3 GLU 68 1HB GLU 68 -8.001 -9.072 -0.432 355 HG2 GLU 68 2HG GLU 68 -9.648 -10.592 0.590 356 HG3 GLU 68 1HG GLU 68 -10.654 -10.420 -0.846 357 H ILE 69 H ILE 69 -10.421 -5.724 -1.136 358 HA ILE 69 HA ILE 69 -7.750 -4.590 -0.830 359 HB ILE 69 HB ILE 69 -8.570 -4.458 -3.064 360 HG12 ILE 69 2HG1 ILE 69 -8.808 -1.680 -1.941 361 HG13 ILE 69 1HG1 ILE 69 -7.271 -2.524 -2.071 362 HG21 ILE 69 1HG2 ILE 69 -10.546 -3.171 -3.686 363 HG22 ILE 69 2HG2 ILE 69 -10.904 -2.899 -1.981 364 HG23 ILE 69 3HG2 ILE 69 -10.957 -4.532 -2.643 365 HD11 ILE 69 1HD1 ILE 69 -9.116 -1.900 -4.361 366 HD12 ILE 69 2HD1 ILE 69 -7.531 -2.674 -4.465 367 HD13 ILE 69 3HD1 ILE 69 -7.661 -0.997 -3.934 368 H LEU 70 H LEU 70 -11.115 -3.535 -0.140 369 HA LEU 70 HA LEU 70 -10.155 -1.163 1.076 370 HG LEU 70 HG LEU 70 -14.329 -2.020 1.576 371 HB2 LEU 70 2HB LEU 70 -12.334 -0.566 1.544 372 HB3 LEU 70 1HB LEU 70 -12.506 -1.561 0.123 373 HD11 LEU 70 1HD1 LEU 70 -13.460 -3.976 0.468 374 HD12 LEU 70 2HD1 LEU 70 -14.109 -4.390 2.055 375 HD13 LEU 70 3HD1 LEU 70 -12.365 -4.278 1.816 376 HD21 LEU 70 1HD2 LEU 70 -13.453 -1.181 3.652 377 HD22 LEU 70 2HD2 LEU 70 -12.308 -2.522 3.741 378 HD23 LEU 70 3HD2 LEU 70 -14.044 -2.830 3.877 379 H GLU 71 H GLU 71 -10.946 -4.358 2.288 380 HA GLU 71 HA GLU 71 -10.747 -3.522 5.039 381 HB2 GLU 71 2HB GLU 71 -11.909 -5.691 3.686 382 HB3 GLU 71 1HB GLU 71 -10.655 -6.378 4.711 383 HG2 GLU 71 2HG GLU 71 -12.749 -4.468 5.700 384 HG3 GLU 71 1HG GLU 71 -12.918 -6.222 5.748 385 H LEU 72 H LEU 72 -8.554 -4.334 2.659 386 HA LEU 72 HA LEU 72 -6.524 -5.458 4.265 387 HG LEU 72 HG LEU 72 -4.199 -5.230 3.244 388 HB2 LEU 72 2HB LEU 72 -6.425 -5.462 1.812 389 HB3 LEU 72 1HB LEU 72 -6.332 -3.714 1.801 390 HD11 LEU 72 1HD1 LEU 72 -2.937 -5.505 1.194 391 HD12 LEU 72 2HD1 LEU 72 -4.277 -4.848 0.255 392 HD13 LEU 72 3HD1 LEU 72 -4.458 -6.392 1.089 393 HD21 LEU 72 1HD2 LEU 72 -4.218 -2.731 1.554 394 HD22 LEU 72 2HD2 LEU 72 -2.828 -3.376 2.428 395 HD23 LEU 72 3HD2 LEU 72 -4.232 -2.786 3.318 396 H MET 73 H MET 73 -7.376 -2.132 3.380 397 HA MET 73 HA MET 73 -5.329 -1.202 5.256 398 HB2 MET 73 2HB MET 73 -5.563 0.995 4.210 399 HB3 MET 73 1HB MET 73 -5.163 -0.246 3.037 400 HG2 MET 73 2HG MET 73 -6.735 1.020 1.950 401 HG3 MET 73 1HG MET 73 -7.686 -0.320 2.582 402 HE1 MET 73 1HE MET 73 -6.642 3.429 3.100 403 HE2 MET 73 2HE MET 73 -6.242 2.670 4.642 404 HE3 MET 73 3HE MET 73 -7.557 3.845 4.549 405 H ASN 74 H ASN 74 -8.616 -1.761 5.112 406 HA ASN 74 HA ASN 74 -9.602 0.394 6.624 407 HB2 ASN 74 2HB ASN 74 -11.192 -0.915 5.474 408 HB3 ASN 74 1HB ASN 74 -10.591 -2.414 6.172 409 HD21 ASN 74 1HD2 ASN 74 -11.309 -3.085 8.067 410 HD22 ASN 74 2HD2 ASN 74 -12.570 -2.294 8.983 411 H GLU 75 H GLU 75 -8.362 -2.803 7.667 412 HA GLU 75 HA GLU 75 -8.421 -1.901 10.412 413 HB2 GLU 75 2HB GLU 75 -7.254 -4.381 9.163 414 HB3 GLU 75 1HB GLU 75 -7.204 -4.037 10.887 415 HG2 GLU 75 2HG GLU 75 -9.762 -3.791 10.672 416 HG3 GLU 75 1HG GLU 75 -9.552 -4.659 9.153 417 H TYR 76 H TYR 76 -6.104 -1.783 7.812 418 HA TYR 76 HA TYR 76 -3.824 -1.500 9.556 419 HD1 TYR 76 1HD TYR 76 -4.627 -3.889 7.169 420 HD2 TYR 76 2HD TYR 76 -0.930 -1.903 7.829 421 HE1 TYR 76 1HE TYR 76 -3.479 -6.062 7.213 422 HE2 TYR 76 2HE TYR 76 0.235 -4.070 7.877 423 HH TYR 76 HH TYR 76 -1.036 -6.857 6.709 424 HB2 TYR 76 2HB TYR 76 -4.261 -1.432 6.619 425 HB3 TYR 76 1HB TYR 76 -2.820 -0.647 7.249 426 H ASP 77 H ASP 77 -6.055 0.734 8.031 427 HA ASP 77 HA ASP 77 -4.246 2.944 7.907 428 HB2 ASP 77 2HB ASP 77 -6.019 4.176 7.001 429 HB3 ASP 77 1HB ASP 77 -6.332 2.526 6.474 430 H ARG 78 H ARG 78 -5.129 1.634 10.631 431 HA ARG 78 HA ARG 78 -6.608 3.705 11.940 432 HE ARG 78 HE ARG 78 -8.326 2.321 10.407 433 HB2 ARG 78 2HB ARG 78 -5.326 1.164 12.892 434 HB3 ARG 78 1HB ARG 78 -6.110 2.290 13.991 435 HG2 ARG 78 2HG ARG 78 -7.353 0.786 11.712 436 HG3 ARG 78 1HG ARG 78 -7.717 0.649 13.436 437 HD2 ARG 78 2HD ARG 78 -9.297 2.179 13.146 438 HD3 ARG 78 1HD ARG 78 -8.033 3.349 12.832 439 HH11 ARG 78 1HH1 ARG 78 -10.806 3.239 12.715 440 HH12 ARG 78 2HH1 ARG 78 -11.946 3.687 11.490 441 HH21 ARG 78 1HH2 ARG 78 -9.793 2.936 8.817 442 HH22 ARG 78 2HH2 ARG 78 -11.368 3.538 9.267 443 H GLU 79 H GLU 79 -3.809 4.095 10.858 444 HA GLU 79 HA GLU 79 -2.855 5.608 13.197 445 HB2 GLU 79 2HB GLU 79 -1.181 4.551 10.911 446 HB3 GLU 79 1HB GLU 79 -0.589 5.500 12.270 447 HG2 GLU 79 2HG GLU 79 -1.511 3.627 13.741 448 HG3 GLU 79 1HG GLU 79 -1.604 2.685 12.254 449 H GLY 80 H GLY 80 -4.364 5.793 10.300 450 HA2 GLY 80 2HA GLY 80 -3.533 8.605 9.953 451 HA3 GLY 80 1HA GLY 80 -3.843 7.556 8.575 452 H ASN 81 H ASN 81 -6.087 6.212 9.734 453 HA ASN 81 HA ASN 81 -8.327 6.320 9.915 454 HB2 ASN 81 2HB ASN 81 -7.776 9.138 10.851 455 HB3 ASN 81 1HB ASN 81 -9.393 8.451 10.771 456 HD21 ASN 81 1HD2 ASN 81 -9.733 8.588 12.963 457 HD22 ASN 81 2HD2 ASN 81 -8.905 7.590 14.113 458 H GLY 82 H GLY 82 -8.633 5.925 7.784 459 HA2 GLY 82 2HA GLY 82 -10.004 6.661 5.930 460 HA3 GLY 82 1HA GLY 82 -9.340 8.278 6.141 461 H TYR 83 H TYR 83 -6.651 7.266 6.582 462 HA TYR 83 HA TYR 83 -5.948 6.077 4.005 463 HD1 TYR 83 1HD TYR 83 -6.860 9.736 5.108 464 HD2 TYR 83 2HD TYR 83 -5.042 8.215 1.581 465 HE1 TYR 83 1HE TYR 83 -8.278 11.216 3.745 466 HE2 TYR 83 2HE TYR 83 -6.449 9.681 0.209 467 HH TYR 83 HH TYR 83 -8.538 10.853 0.334 468 HB2 TYR 83 2HB TYR 83 -4.570 8.539 5.077 469 HB3 TYR 83 1HB TYR 83 -4.141 7.662 3.630 470 H ILE 84 H ILE 84 -3.680 5.422 3.965 471 HA ILE 84 HA ILE 84 -2.738 4.532 6.604 472 HB ILE 84 HB ILE 84 -1.394 2.901 5.368 473 HG12 ILE 84 2HG1 ILE 84 -2.537 4.343 2.976 474 HG13 ILE 84 1HG1 ILE 84 -0.848 4.041 3.362 475 HG21 ILE 84 1HG2 ILE 84 -4.283 2.929 4.503 476 HG22 ILE 84 2HG2 ILE 84 -3.658 2.280 6.017 477 HG23 ILE 84 3HG2 ILE 84 -3.221 1.521 4.486 478 HD11 ILE 84 1HD1 ILE 84 -1.622 2.670 1.524 479 HD12 ILE 84 2HD1 ILE 84 -2.869 1.976 2.560 480 HD13 ILE 84 3HD1 ILE 84 -1.165 1.681 2.912 481 H GLY 85 H GLY 85 -0.312 4.453 6.808 482 HA2 GLY 85 2HA GLY 85 0.809 6.966 5.760 483 HA3 GLY 85 1HA GLY 85 1.343 6.147 7.224 484 H PHE 86 H PHE 86 3.224 6.915 5.374 485 HA PHE 86 HA PHE 86 3.856 5.068 3.389 486 HD1 PHE 86 1HD PHE 86 5.327 5.523 1.588 487 HD2 PHE 86 2HD PHE 86 7.912 6.111 4.908 488 HE1 PHE 86 1HE PHE 86 7.184 4.607 0.291 489 HE2 PHE 86 2HE PHE 86 9.785 5.199 3.611 490 HZ PHE 86 HZ PHE 86 9.432 4.439 1.295 491 HB2 PHE 86 2HB PHE 86 4.941 7.262 3.582 492 HB3 PHE 86 1HB PHE 86 5.722 6.749 5.074 493 H ASP 87 H ASP 87 4.640 5.133 6.835 494 HA ASP 87 HA ASP 87 6.365 2.930 6.961 495 HB2 ASP 87 2HB ASP 87 4.370 3.994 8.966 496 HB3 ASP 87 1HB ASP 87 5.487 2.684 9.330 497 H ASP 88 H ASP 88 2.894 3.139 6.791 498 HA ASP 88 HA ASP 88 2.432 0.384 7.444 499 HB2 ASP 88 2HB ASP 88 0.830 2.308 7.875 500 HB3 ASP 88 1HB ASP 88 0.499 2.303 6.144 501 H PHE 89 H PHE 89 2.349 2.371 4.529 502 HA PHE 89 HA PHE 89 1.513 0.459 2.684 503 HD1 PHE 89 2HD PHE 89 0.777 1.086 0.345 504 HD2 PHE 89 1HD PHE 89 4.658 2.802 0.558 505 HE1 PHE 89 2HE PHE 89 1.114 0.602 -2.035 506 HE2 PHE 89 1HE PHE 89 5.013 2.329 -1.814 507 HZ PHE 89 HZ PHE 89 3.234 1.226 -3.131 508 HB2 PHE 89 2HB PHE 89 1.587 2.833 2.160 509 HB3 PHE 89 1HB PHE 89 3.336 2.862 2.389 510 H LEU 90 H LEU 90 4.605 1.183 4.068 511 HA LEU 90 HA LEU 90 6.282 -0.243 2.354 512 HG LEU 90 HG LEU 90 8.000 1.107 2.617 513 HB2 LEU 90 2HB LEU 90 6.469 1.243 4.709 514 HB3 LEU 90 1HB LEU 90 7.157 -0.326 5.092 515 HD11 LEU 90 1HD1 LEU 90 8.266 2.731 4.399 516 HD12 LEU 90 2HD1 LEU 90 9.838 2.129 3.873 517 HD13 LEU 90 3HD1 LEU 90 9.127 1.542 5.377 518 HD21 LEU 90 1HD2 LEU 90 10.078 -0.160 3.044 519 HD22 LEU 90 2HD2 LEU 90 8.667 -1.203 2.859 520 HD23 LEU 90 3HD2 LEU 90 9.319 -0.875 4.467 521 H ASP 91 H ASP 91 4.482 -1.250 5.220 522 HA ASP 91 HA ASP 91 5.704 -3.836 5.257 523 HB2 ASP 91 2HB ASP 91 3.868 -2.379 6.965 524 HB3 ASP 91 1HB ASP 91 3.386 -4.062 6.754 525 H ILE 92 H ILE 92 3.482 -2.493 3.271 526 HA ILE 92 HA ILE 92 1.951 -4.944 2.733 527 HB ILE 92 HB ILE 92 1.834 -2.290 1.311 528 HG12 ILE 92 2HG1 ILE 92 1.530 -2.248 3.832 529 HG13 ILE 92 1HG1 ILE 92 0.235 -1.551 2.861 530 HG21 ILE 92 1HG2 ILE 92 -0.150 -4.548 1.554 531 HG22 ILE 92 2HG2 ILE 92 0.823 -4.168 0.133 532 HG23 ILE 92 3HG2 ILE 92 -0.414 -3.035 0.686 533 HD11 ILE 92 1HD1 ILE 92 0.262 -4.262 4.151 534 HD12 ILE 92 2HD1 ILE 92 -1.036 -3.637 3.135 535 HD13 ILE 92 3HD1 ILE 92 -0.671 -2.860 4.675 536 H MET 93 H MET 93 4.083 -2.655 1.086 537 HA MET 93 HA MET 93 4.544 -4.215 -1.184 538 HB2 MET 93 2HB MET 93 6.301 -2.251 0.272 539 HB3 MET 93 1HB MET 93 6.758 -2.991 -1.258 540 HG2 MET 93 2HG MET 93 4.413 -2.077 -2.013 541 HG3 MET 93 1HG MET 93 4.668 -0.967 -0.670 542 HE1 MET 93 1HE MET 93 7.624 -1.354 -4.191 543 HE2 MET 93 2HE MET 93 6.145 -2.307 -4.066 544 HE3 MET 93 3HE MET 93 7.456 -2.559 -2.914 545 H THR 94 H THR 94 5.653 -4.407 2.080 546 HA THR 94 HA THR 94 7.420 -6.643 1.409 547 HB THR 94 HB THR 94 8.075 -6.580 3.790 548 HG1 THR 94 1HG THR 94 6.892 -4.132 4.232 549 HG21 THR 94 1HG2 THR 94 8.193 -3.899 2.414 550 HG22 THR 94 2HG2 THR 94 9.289 -5.250 2.120 551 HG23 THR 94 3HG2 THR 94 9.272 -4.454 3.696 552 H GLU 95 H GLU 95 4.192 -6.144 2.222 553 HA GLU 95 HA GLU 95 3.719 -8.034 4.210 554 HB2 GLU 95 2HB GLU 95 2.007 -6.437 3.604 555 HB3 GLU 95 1HB GLU 95 1.854 -7.174 2.007 556 HG2 GLU 95 2HG GLU 95 0.927 -9.145 2.905 557 HG3 GLU 95 1HG GLU 95 1.381 -8.705 4.548 558 H LYS 96 H LYS 96 3.184 -8.352 0.736 559 HA LYS 96 HA LYS 96 2.280 -10.971 0.979 560 HB2 LYS 96 2HB LYS 96 2.559 -10.960 -1.587 561 HB3 LYS 96 1HB LYS 96 1.423 -9.843 -0.849 562 HG2 LYS 96 2HG LYS 96 2.587 -8.630 -2.506 563 HG3 LYS 96 1HG LYS 96 3.230 -8.101 -0.950 564 HD2 LYS 96 2HD LYS 96 4.984 -9.998 -1.381 565 HD3 LYS 96 1HD LYS 96 4.499 -9.774 -3.061 566 HE2 LYS 96 2HE LYS 96 5.372 -7.519 -1.280 567 HE3 LYS 96 1HE LYS 96 6.483 -8.434 -2.293 568 HZ1 LYS 96 1HZ LYS 96 5.809 -6.441 -3.428 569 HZ2 LYS 96 2HZ LYS 96 4.173 -6.820 -3.222 570 HZ3 LYS 96 3HZ LYS 96 5.136 -7.774 -4.236 571 H ILE 97 H ILE 97 5.490 -9.782 0.849 572 HA ILE 97 HA ILE 97 6.515 -12.392 0.023 573 HB ILE 97 HB ILE 97 8.784 -11.283 0.198 574 HG12 ILE 97 2HG1 ILE 97 8.485 -8.713 -0.322 575 HG13 ILE 97 1HG1 ILE 97 7.033 -8.920 0.654 576 HG21 ILE 97 1HG2 ILE 97 6.839 -10.259 -1.858 577 HG22 ILE 97 2HG2 ILE 97 7.700 -11.798 -1.914 578 HG23 ILE 97 3HG2 ILE 97 8.595 -10.282 -2.020 579 HD11 ILE 97 1HD1 ILE 97 8.411 -9.835 2.465 580 HD12 ILE 97 2HD1 ILE 97 8.850 -8.178 2.040 581 HD13 ILE 97 3HD1 ILE 97 9.852 -9.524 1.497 582 H LYS 98 H LYS 98 6.482 -10.232 2.794 583 HA LYS 98 HA LYS 98 8.200 -11.862 4.393 584 HB2 LYS 98 2HB LYS 98 8.243 -9.784 5.277 585 HB3 LYS 98 1HB LYS 98 6.645 -9.384 4.669 586 HG2 LYS 98 2HG LYS 98 5.850 -10.965 6.595 587 HG3 LYS 98 1HG LYS 98 7.441 -10.593 7.267 588 HD2 LYS 98 2HD LYS 98 5.603 -9.057 8.012 589 HD3 LYS 98 1HD LYS 98 6.979 -8.249 7.256 590 HE2 LYS 98 2HE LYS 98 5.797 -7.990 5.194 591 HE3 LYS 98 1HE LYS 98 4.489 -9.033 5.753 592 HZ1 LYS 98 1HZ LYS 98 3.921 -6.651 5.851 593 HZ2 LYS 98 2HZ LYS 98 5.167 -6.400 6.975 594 HZ3 LYS 98 3HZ LYS 98 3.852 -7.393 7.371 595 H ASN 99 H ASN 99 4.747 -11.504 3.943 596 HA ASN 99 HA ASN 99 4.317 -13.910 5.580 597 HB2 ASN 99 2HB ASN 99 3.050 -11.776 6.154 598 HB3 ASN 99 1HB ASN 99 2.209 -11.958 4.618 599 HD21 ASN 99 1HD2 ASN 99 0.527 -13.338 4.486 600 HD22 ASN 99 2HD2 ASN 99 -0.025 -14.335 5.792 601 H ARG 100 H ARG 100 5.489 -14.025 3.048 602 HA ARG 100 HA ARG 100 3.678 -14.525 0.963 603 HE ARG 100 HE ARG 100 9.353 -15.866 2.310 604 HB2 ARG 100 2HB ARG 100 5.527 -15.684 -0.156 605 HB3 ARG 100 1HB ARG 100 6.038 -14.141 0.516 606 HG2 ARG 100 2HG ARG 100 7.083 -15.275 2.389 607 HG3 ARG 100 1HG ARG 100 6.511 -16.833 1.786 608 HD2 ARG 100 2HD ARG 100 7.921 -16.735 -0.098 609 HD3 ARG 100 1HD ARG 100 8.245 -15.018 0.137 610 HH11 ARG 100 1HH1 ARG 100 9.281 -17.665 -0.700 611 HH12 ARG 100 2HH1 ARG 100 10.871 -18.345 -0.475 612 HH21 ARG 100 1HH2 ARG 100 11.420 -16.773 2.613 613 HH22 ARG 100 2HH2 ARG 100 12.085 -17.831 1.411 614 H ASP 101 H ASP 101 4.639 -16.324 3.695 615 HA ASP 101 HA ASP 101 3.590 -18.843 2.651 616 HB2 ASP 101 2HB ASP 101 5.745 -19.071 3.696 617 HB3 ASP 101 1HB ASP 101 5.204 -18.189 5.121 Start of MODEL 5 1 HA LEU 25 HA LEU 25 15.879 -2.476 3.962 2 HG LEU 25 HG LEU 25 13.832 -3.781 3.858 3 H1 LEU 25 1HT LEU 25 15.733 -3.486 6.081 4 H2 LEU 25 2HT LEU 25 15.580 -1.990 6.861 5 H3 LEU 25 3HT LEU 25 17.038 -2.404 6.100 6 HB2 LEU 25 2HB LEU 25 13.635 -1.376 5.648 7 HB3 LEU 25 1HB LEU 25 13.692 -1.198 3.905 8 HD11 LEU 25 1HD1 LEU 25 12.811 -4.923 5.732 9 HD12 LEU 25 2HD1 LEU 25 12.669 -3.404 6.614 10 HD13 LEU 25 3HD1 LEU 25 14.262 -4.074 6.264 11 HD21 LEU 25 1HD2 LEU 25 11.919 -2.493 3.086 12 HD22 LEU 25 2HD2 LEU 25 11.313 -2.386 4.738 13 HD23 LEU 25 3HD2 LEU 25 11.399 -3.951 3.931 14 H SER 26 H SER 26 17.484 -1.157 3.405 15 HA SER 26 HA SER 26 17.705 1.512 4.506 16 HG SER 26 HG SER 26 20.363 -0.845 3.749 17 HB2 SER 26 2HB SER 26 19.303 0.221 2.278 18 HB3 SER 26 1HB SER 26 19.759 1.634 3.233 19 H GLU 27 H GLU 27 18.331 3.218 2.585 20 HA GLU 27 HA GLU 27 15.864 3.826 1.398 21 HB2 GLU 27 2HB GLU 27 18.608 4.929 0.798 22 HB3 GLU 27 1HB GLU 27 17.110 5.600 0.170 23 HG2 GLU 27 2HG GLU 27 18.009 5.476 3.035 24 HG3 GLU 27 1HG GLU 27 17.765 6.909 2.038 25 H GLU 28 H GLU 28 18.495 1.888 0.236 26 HA GLU 28 HA GLU 28 18.039 1.760 -2.479 27 HB2 GLU 28 2HB GLU 28 18.616 -0.728 -2.211 28 HB3 GLU 28 1HB GLU 28 19.796 0.436 -1.619 29 HG2 GLU 28 2HG GLU 28 19.253 0.021 0.618 30 HG3 GLU 28 1HG GLU 28 17.739 -0.774 0.195 31 H GLN 29 H GLN 29 16.263 0.082 0.090 32 HA GLN 29 HA GLN 29 14.456 -1.225 -1.695 33 HB2 GLN 29 2HB GLN 29 14.205 -0.728 1.281 34 HB3 GLN 29 1HB GLN 29 13.266 -1.883 0.342 35 HG2 GLN 29 2HG GLN 29 16.244 -1.973 0.769 36 HG3 GLN 29 1HG GLN 29 15.049 -2.963 1.606 37 HE21 GLN 29 1HE2 GLN 29 17.319 -3.676 -0.159 38 HE22 GLN 29 2HE2 GLN 29 16.623 -4.661 -1.404 39 H LYS 30 H LYS 30 14.583 1.789 -0.015 40 HA LYS 30 HA LYS 30 11.872 2.571 -0.300 41 HB2 LYS 30 2HB LYS 30 14.274 4.386 -0.296 42 HB3 LYS 30 1HB LYS 30 12.641 4.769 0.220 43 HG2 LYS 30 2HG LYS 30 14.212 2.642 1.557 44 HG3 LYS 30 1HG LYS 30 14.434 4.333 1.978 45 HD2 LYS 30 2HD LYS 30 11.690 3.172 1.924 46 HD3 LYS 30 1HD LYS 30 12.744 2.819 3.295 47 HE2 LYS 30 2HE LYS 30 12.341 5.619 2.337 48 HE3 LYS 30 1HE LYS 30 11.175 4.859 3.418 49 HZ1 LYS 30 1HZ LYS 30 13.010 4.439 4.977 50 HZ2 LYS 30 2HZ LYS 30 12.776 6.093 4.696 51 HZ3 LYS 30 3HZ LYS 30 14.071 5.282 3.955 52 H GLN 31 H GLN 31 14.764 2.998 -2.254 53 HA GLN 31 HA GLN 31 13.760 4.641 -4.195 54 HB2 GLN 31 2HB GLN 31 15.690 2.339 -4.517 55 HB3 GLN 31 1HB GLN 31 15.427 3.586 -5.729 56 HG2 GLN 31 2HG GLN 31 16.213 5.285 -4.193 57 HG3 GLN 31 1HG GLN 31 16.415 4.072 -2.930 58 HE21 GLN 31 1HE2 GLN 31 18.363 5.869 -4.125 59 HE22 GLN 31 2HE2 GLN 31 19.632 4.857 -4.739 60 H GLU 32 H GLU 32 13.309 1.190 -3.780 61 HA GLU 32 HA GLU 32 11.706 0.867 -6.148 62 HB2 GLU 32 2HB GLU 32 12.347 -0.869 -3.782 63 HB3 GLU 32 1HB GLU 32 11.124 -1.345 -4.952 64 HG2 GLU 32 2HG GLU 32 13.961 -0.673 -5.678 65 HG3 GLU 32 1HG GLU 32 13.380 -2.308 -5.359 66 H ILE 33 H ILE 33 10.935 0.609 -2.672 67 HA ILE 33 HA ILE 33 8.131 0.442 -3.128 68 HB ILE 33 HB ILE 33 9.728 0.897 -0.606 69 HG12 ILE 33 2HG1 ILE 33 8.401 -1.542 -1.804 70 HG13 ILE 33 1HG1 ILE 33 10.129 -1.260 -1.630 71 HG21 ILE 33 1HG2 ILE 33 7.697 0.308 0.632 72 HG22 ILE 33 2HG2 ILE 33 6.784 0.304 -0.878 73 HG23 ILE 33 3HG2 ILE 33 7.504 1.801 -0.287 74 HD11 ILE 33 1HD1 ILE 33 8.172 -1.574 0.633 75 HD12 ILE 33 2HD1 ILE 33 9.916 -1.349 0.783 76 HD13 ILE 33 3HD1 ILE 33 9.278 -2.818 0.041 77 H LYS 34 H LYS 34 10.245 3.051 -2.064 78 HA LYS 34 HA LYS 34 8.087 4.812 -1.416 79 HB2 LYS 34 2HB LYS 34 9.959 5.156 -0.085 80 HB3 LYS 34 1HB LYS 34 11.068 5.026 -1.444 81 HG2 LYS 34 2HG LYS 34 10.878 7.182 -1.994 82 HG3 LYS 34 1HG LYS 34 9.182 7.288 -1.513 83 HD2 LYS 34 2HD LYS 34 10.430 8.634 -0.012 84 HD3 LYS 34 1HD LYS 34 9.968 7.166 0.852 85 HE2 LYS 34 2HE LYS 34 12.163 6.227 0.546 86 HE3 LYS 34 1HE LYS 34 12.638 7.568 -0.493 87 HZ1 LYS 34 1HZ LYS 34 11.884 7.882 2.359 88 HZ2 LYS 34 2HZ LYS 34 12.573 9.054 1.344 89 HZ3 LYS 34 3HZ LYS 34 13.487 7.703 1.821 90 H GLU 35 H GLU 35 10.305 4.473 -4.212 91 HA GLU 35 HA GLU 35 9.432 6.868 -5.455 92 HB2 GLU 35 2HB GLU 35 11.444 5.470 -6.134 93 HB3 GLU 35 1HB GLU 35 10.310 4.377 -6.917 94 HG2 GLU 35 2HG GLU 35 9.547 6.165 -8.364 95 HG3 GLU 35 1HG GLU 35 10.621 7.300 -7.550 96 H ALA 36 H ALA 36 8.131 3.672 -5.186 97 HA ALA 36 HA ALA 36 6.009 4.078 -7.067 98 HB1 ALA 36 1HB ALA 36 6.822 1.835 -6.543 99 HB2 ALA 36 2HB ALA 36 5.102 1.997 -6.186 100 HB3 ALA 36 3HB ALA 36 6.284 2.029 -4.876 101 H PHE 37 H PHE 37 6.535 4.732 -3.662 102 HA PHE 37 HA PHE 37 3.851 4.951 -2.858 103 HD1 PHE 37 1HD PHE 37 3.224 4.551 -0.734 104 HD2 PHE 37 2HD PHE 37 5.582 8.052 -0.230 105 HE1 PHE 37 1HE PHE 37 1.697 5.319 1.026 106 HE2 PHE 37 2HE PHE 37 4.068 8.826 1.532 107 HZ PHE 37 HZ PHE 37 2.113 7.461 2.168 108 HB2 PHE 37 2HB PHE 37 5.868 4.850 -1.349 109 HB3 PHE 37 1HB PHE 37 6.200 6.519 -1.791 110 H ASP 38 H ASP 38 6.181 7.435 -3.873 111 HA ASP 38 HA ASP 38 4.291 9.552 -3.906 112 HB2 ASP 38 2HB ASP 38 6.992 9.227 -5.212 113 HB3 ASP 38 1HB ASP 38 6.059 10.721 -5.283 114 H LEU 39 H LEU 39 4.937 7.000 -6.016 115 HA LEU 39 HA LEU 39 3.924 8.203 -8.421 116 HG LEU 39 HG LEU 39 2.889 5.252 -9.397 117 HB2 LEU 39 2HB LEU 39 5.542 6.444 -8.596 118 HB3 LEU 39 1HB LEU 39 4.572 5.376 -7.603 119 HD11 LEU 39 1HD1 LEU 39 4.878 6.903 -10.944 120 HD12 LEU 39 2HD1 LEU 39 3.268 7.411 -10.435 121 HD13 LEU 39 3HD1 LEU 39 3.451 6.116 -11.619 122 HD21 LEU 39 1HD2 LEU 39 5.724 4.581 -10.153 123 HD22 LEU 39 2HD2 LEU 39 4.289 3.936 -10.954 124 HD23 LEU 39 3HD2 LEU 39 4.597 3.566 -9.257 125 H PHE 40 H PHE 40 2.679 6.305 -5.756 126 HA PHE 40 HA PHE 40 0.171 5.837 -7.127 127 HD1 PHE 40 1HD PHE 40 0.309 4.143 -7.899 128 HD2 PHE 40 2HD PHE 40 1.977 2.804 -4.223 129 HE1 PHE 40 1HE PHE 40 1.148 2.122 -9.021 130 HE2 PHE 40 2HE PHE 40 2.821 0.784 -5.331 131 HZ PHE 40 HZ PHE 40 2.425 0.474 -7.794 132 HB2 PHE 40 2HB PHE 40 1.176 4.999 -4.420 133 HB3 PHE 40 1HB PHE 40 -0.450 4.646 -4.996 134 H ASP 41 H ASP 41 1.429 7.888 -4.564 135 HA ASP 41 HA ASP 41 -1.098 8.910 -3.761 136 HB2 ASP 41 2HB ASP 41 0.780 9.292 -2.294 137 HB3 ASP 41 1HB ASP 41 1.661 10.141 -3.562 138 H THR 42 H THR 42 -2.259 9.283 -5.571 139 HA THR 42 HA THR 42 -1.422 11.561 -7.236 140 HB THR 42 HB THR 42 -3.317 10.860 -8.726 141 HG1 THR 42 1HG THR 42 -3.679 9.047 -6.637 142 HG21 THR 42 1HG2 THR 42 -2.187 8.888 -9.655 143 HG22 THR 42 2HG2 THR 42 -1.247 8.726 -8.171 144 HG23 THR 42 3HG2 THR 42 -1.029 10.139 -9.205 145 H ASN 43 H ASN 43 -2.754 11.016 -4.471 146 HA ASN 43 HA ASN 43 -5.228 12.457 -4.635 147 HB2 ASN 43 2HB ASN 43 -4.685 10.559 -3.024 148 HB3 ASN 43 1HB ASN 43 -3.683 11.705 -2.146 149 HD21 ASN 43 1HD2 ASN 43 -6.094 10.218 -1.391 150 HD22 ASN 43 2HD2 ASN 43 -7.224 11.408 -0.844 151 H LYS 44 H LYS 44 -2.335 13.036 -2.625 152 HA LYS 44 HA LYS 44 -1.398 15.450 -3.195 153 HB2 LYS 44 2HB LYS 44 -4.179 15.830 -2.292 154 HB3 LYS 44 1HB LYS 44 -3.009 16.805 -1.416 155 HG2 LYS 44 2HG LYS 44 -3.345 16.769 -4.413 156 HG3 LYS 44 1HG LYS 44 -3.997 17.992 -3.324 157 HD2 LYS 44 2HD LYS 44 -1.070 17.352 -3.660 158 HD3 LYS 44 1HD LYS 44 -1.905 18.707 -4.419 159 HE2 LYS 44 2HE LYS 44 -1.595 18.243 -1.454 160 HE3 LYS 44 1HE LYS 44 -0.691 19.408 -2.419 161 HZ1 LYS 44 1HZ LYS 44 -2.462 20.518 -1.289 162 HZ2 LYS 44 2HZ LYS 44 -3.612 19.432 -1.892 163 HZ3 LYS 44 3HZ LYS 44 -2.821 20.501 -2.946 164 H THR 45 H THR 45 -2.680 13.419 -0.733 165 HA THR 45 HA THR 45 -1.576 14.965 1.441 166 HB THR 45 HB THR 45 -3.789 14.110 1.738 167 HG1 THR 45 1HG THR 45 -1.920 12.667 3.344 168 HG21 THR 45 1HG2 THR 45 -2.609 11.385 1.232 169 HG22 THR 45 2HG2 THR 45 -3.796 12.236 0.240 170 HG23 THR 45 3HG2 THR 45 -4.233 11.668 1.851 171 H GLY 46 H GLY 46 -0.198 12.744 -0.575 172 HA2 GLY 46 2HA GLY 46 1.764 11.545 -0.415 173 HA3 GLY 46 1HA GLY 46 2.055 12.374 1.109 174 H SER 47 H SER 47 -0.712 10.407 0.346 175 HA SER 47 HA SER 47 0.163 8.046 1.671 176 HG SER 47 HG SER 47 -2.524 10.166 2.430 177 HB2 SER 47 2HB SER 47 -1.558 8.219 3.531 178 HB3 SER 47 1HB SER 47 -0.168 9.291 3.706 179 H ILE 48 H ILE 48 -1.794 6.490 1.824 180 HA ILE 48 HA ILE 48 -3.129 6.898 -0.762 181 HB ILE 48 HB ILE 48 -2.547 4.311 0.685 182 HG12 ILE 48 2HG1 ILE 48 -0.479 5.343 -0.062 183 HG13 ILE 48 1HG1 ILE 48 -0.864 3.978 -1.104 184 HG21 ILE 48 1HG2 ILE 48 -3.156 3.228 -1.413 185 HG22 ILE 48 2HG2 ILE 48 -3.564 4.796 -2.110 186 HG23 ILE 48 3HG2 ILE 48 -4.505 4.158 -0.761 187 HD11 ILE 48 1HD1 ILE 48 -1.669 5.472 -2.823 188 HD12 ILE 48 2HD1 ILE 48 -0.027 5.910 -2.352 189 HD13 ILE 48 3HD1 ILE 48 -1.393 6.860 -1.772 190 H ASP 49 H ASP 49 -5.245 6.679 -1.055 191 HA ASP 49 HA ASP 49 -6.982 6.348 1.305 192 HB2 ASP 49 2HB ASP 49 -7.264 8.426 0.001 193 HB3 ASP 49 1HB ASP 49 -7.519 7.490 -1.463 194 H TYR 50 H TYR 50 -9.002 5.042 0.927 195 HA TYR 50 HA TYR 50 -8.315 2.482 -0.021 196 HD1 TYR 50 1HD TYR 50 -12.385 3.773 -0.658 197 HD2 TYR 50 2HD TYR 50 -10.187 4.464 2.917 198 HE1 TYR 50 1HE TYR 50 -13.852 5.673 -0.126 199 HE2 TYR 50 2HE TYR 50 -11.647 6.361 3.457 200 HH TYR 50 HH TYR 50 -13.087 7.949 2.251 201 HB2 TYR 50 2HB TYR 50 -10.858 2.068 0.281 202 HB3 TYR 50 1HB TYR 50 -9.874 2.441 1.692 203 H HIS 51 H HIS 51 -9.880 5.167 -1.601 204 HA HIS 51 HA HIS 51 -10.828 3.585 -3.826 205 HD1 HIS 51 1HD HIS 51 -10.025 7.276 -5.968 206 HD2 HIS 51 2HD HIS 51 -13.191 4.604 -5.563 207 HE1 HIS 51 1HE HIS 51 -11.153 7.203 -8.218 208 HE2 HIS 51 2HE HIS 51 -13.207 5.787 -7.862 209 HB2 HIS 51 2HB HIS 51 -11.905 5.724 -3.226 210 HB3 HIS 51 1HB HIS 51 -10.406 6.576 -3.585 211 H GLU 52 H GLU 52 -7.914 5.047 -2.859 212 HA GLU 52 HA GLU 52 -6.783 5.135 -5.549 213 HB2 GLU 52 2HB GLU 52 -6.481 7.094 -4.202 214 HB3 GLU 52 1HB GLU 52 -5.893 6.145 -2.851 215 HG2 GLU 52 2HG GLU 52 -3.826 5.765 -3.885 216 HG3 GLU 52 1HG GLU 52 -4.417 6.308 -5.455 217 H LEU 53 H LEU 53 -6.749 3.269 -2.671 218 HA LEU 53 HA LEU 53 -4.210 2.136 -2.727 219 HG LEU 53 HG LEU 53 -4.978 -0.766 -1.810 220 HB2 LEU 53 2HB LEU 53 -5.756 1.984 -0.830 221 HB3 LEU 53 1HB LEU 53 -6.786 0.907 -1.756 222 HD11 LEU 53 1HD1 LEU 53 -3.008 -0.475 -0.400 223 HD12 LEU 53 2HD1 LEU 53 -3.524 1.165 -0.009 224 HD13 LEU 53 3HD1 LEU 53 -3.070 0.754 -1.664 225 HD21 LEU 53 1HD2 LEU 53 -6.658 -0.854 -0.048 226 HD22 LEU 53 2HD2 LEU 53 -5.676 0.216 0.953 227 HD23 LEU 53 3HD2 LEU 53 -5.091 -1.398 0.547 228 H LYS 54 H LYS 54 -7.150 1.175 -4.422 229 HA LYS 54 HA LYS 54 -6.283 -1.372 -5.218 230 HB2 LYS 54 2HB LYS 54 -8.629 -0.585 -5.329 231 HB3 LYS 54 1HB LYS 54 -8.200 0.427 -6.705 232 HG2 LYS 54 2HG LYS 54 -7.458 -1.665 -7.877 233 HG3 LYS 54 1HG LYS 54 -8.168 -2.577 -6.542 234 HD2 LYS 54 2HD LYS 54 -10.344 -1.524 -7.015 235 HD3 LYS 54 1HD LYS 54 -9.617 -0.676 -8.384 236 HE2 LYS 54 2HE LYS 54 -9.003 -2.904 -9.335 237 HE3 LYS 54 1HE LYS 54 -9.936 -3.653 -8.038 238 HZ1 LYS 54 1HZ LYS 54 -11.867 -2.296 -8.864 239 HZ2 LYS 54 2HZ LYS 54 -11.346 -3.536 -9.898 240 HZ3 LYS 54 3HZ LYS 54 -10.932 -1.926 -10.232 241 H VAL 55 H VAL 55 -5.797 1.810 -6.633 242 HA VAL 55 HA VAL 55 -4.689 1.024 -9.094 243 HB VAL 55 HB VAL 55 -3.795 3.414 -7.462 244 HG11 VAL 55 1HG1 VAL 55 -2.422 2.942 -9.417 245 HG12 VAL 55 2HG1 VAL 55 -3.346 4.426 -9.647 246 HG13 VAL 55 3HG1 VAL 55 -3.857 2.937 -10.443 247 HG21 VAL 55 1HG2 VAL 55 -6.242 3.376 -7.585 248 HG22 VAL 55 2HG2 VAL 55 -6.153 3.233 -9.341 249 HG23 VAL 55 3HG2 VAL 55 -5.569 4.694 -8.545 250 H ALA 56 H ALA 56 -3.237 1.627 -5.937 251 HA ALA 56 HA ALA 56 -0.584 1.007 -6.623 252 HB1 ALA 56 1HB ALA 56 -1.217 2.182 -4.562 253 HB2 ALA 56 2HB ALA 56 -0.206 0.775 -4.234 254 HB3 ALA 56 3HB ALA 56 -1.945 0.696 -3.947 255 H MET 57 H MET 57 -3.166 -0.981 -5.204 256 HA MET 57 HA MET 57 -1.659 -3.291 -4.802 257 HB2 MET 57 2HB MET 57 -4.599 -3.234 -5.485 258 HB3 MET 57 1HB MET 57 -3.742 -4.503 -4.628 259 HG2 MET 57 2HG MET 57 -3.249 -2.324 -3.067 260 HG3 MET 57 1HG MET 57 -4.847 -1.995 -3.666 261 HE1 MET 57 1HE MET 57 -3.239 -5.517 -2.953 262 HE2 MET 57 2HE MET 57 -3.733 -5.767 -1.278 263 HE3 MET 57 3HE MET 57 -2.593 -4.482 -1.681 264 H ARG 58 H ARG 58 -3.618 -2.363 -7.654 265 HA ARG 58 HA ARG 58 -3.088 -4.827 -8.966 266 HE ARG 58 HE ARG 58 -4.772 0.518 -11.596 267 HB2 ARG 58 2HB ARG 58 -4.064 -3.823 -10.963 268 HB3 ARG 58 1HB ARG 58 -5.066 -3.565 -9.546 269 HG2 ARG 58 2HG ARG 58 -4.180 -1.269 -9.379 270 HG3 ARG 58 1HG ARG 58 -3.272 -1.545 -10.870 271 HD2 ARG 58 2HD ARG 58 -5.293 -1.876 -12.113 272 HD3 ARG 58 1HD ARG 58 -6.261 -1.848 -10.639 273 HH11 ARG 58 1HH1 ARG 58 -7.698 -1.027 -10.468 274 HH12 ARG 58 2HH1 ARG 58 -8.594 0.459 -10.314 275 HH21 ARG 58 1HH2 ARG 58 -5.934 2.482 -11.412 276 HH22 ARG 58 2HH2 ARG 58 -7.577 2.456 -10.858 277 H ALA 59 H ALA 59 -1.530 -1.668 -9.050 278 HA ALA 59 HA ALA 59 0.200 -2.205 -11.221 279 HB1 ALA 59 1HB ALA 59 -0.178 0.054 -10.372 280 HB2 ALA 59 2HB ALA 59 1.539 -0.345 -10.391 281 HB3 ALA 59 3HB ALA 59 0.645 -0.368 -8.871 282 H LEU 60 H LEU 60 0.417 -2.862 -7.774 283 HA LEU 60 HA LEU 60 3.045 -3.944 -7.791 284 HG LEU 60 HG LEU 60 1.161 -2.234 -5.920 285 HB2 LEU 60 2HB LEU 60 0.755 -4.701 -5.978 286 HB3 LEU 60 1HB LEU 60 2.460 -4.938 -5.664 287 HD11 LEU 60 1HD1 LEU 60 1.281 -2.150 -3.491 288 HD12 LEU 60 2HD1 LEU 60 1.879 -3.810 -3.460 289 HD13 LEU 60 3HD1 LEU 60 0.247 -3.471 -4.039 290 HD21 LEU 60 1HD2 LEU 60 3.535 -2.220 -6.399 291 HD22 LEU 60 2HD2 LEU 60 3.862 -3.101 -4.908 292 HD23 LEU 60 3HD2 LEU 60 3.224 -1.458 -4.840 293 H GLY 61 H GLY 61 -0.189 -5.381 -8.019 294 HA2 GLY 61 2HA GLY 61 -0.127 -7.094 -9.928 295 HA3 GLY 61 1HA GLY 61 1.044 -7.900 -8.903 296 H PHE 62 H PHE 62 -1.748 -6.239 -7.566 297 HA PHE 62 HA PHE 62 -2.867 -8.881 -6.871 298 HD1 PHE 62 2HD PHE 62 -1.687 -9.543 -4.676 299 HD2 PHE 62 1HD PHE 62 -1.650 -5.302 -4.405 300 HE1 PHE 62 2HE PHE 62 0.375 -9.647 -3.346 301 HE2 PHE 62 1HE PHE 62 0.393 -5.384 -3.075 302 HZ PHE 62 HZ PHE 62 1.426 -7.568 -2.534 303 HB2 PHE 62 2HB PHE 62 -3.384 -6.300 -5.407 304 HB3 PHE 62 1HB PHE 62 -3.814 -7.923 -4.897 305 H ASP 63 H ASP 63 -5.178 -8.974 -6.608 306 HA ASP 63 HA ASP 63 -6.744 -6.646 -7.341 307 HB2 ASP 63 2HB ASP 63 -6.566 -8.046 -9.455 308 HB3 ASP 63 1HB ASP 63 -7.434 -9.315 -8.589 309 H VAL 64 H VAL 64 -7.450 -6.440 -5.323 310 HA VAL 64 HA VAL 64 -8.321 -8.840 -3.883 311 HB VAL 64 HB VAL 64 -8.120 -7.408 -1.863 312 HG11 VAL 64 1HG1 VAL 64 -6.309 -8.918 -2.510 313 HG12 VAL 64 2HG1 VAL 64 -5.666 -7.435 -1.801 314 HG13 VAL 64 3HG1 VAL 64 -5.631 -7.665 -3.550 315 HG21 VAL 64 1HG2 VAL 64 -6.936 -5.300 -2.049 316 HG22 VAL 64 2HG2 VAL 64 -8.428 -5.279 -2.992 317 HG23 VAL 64 3HG2 VAL 64 -6.875 -5.486 -3.802 318 H LYS 65 H LYS 65 -9.732 -6.554 -5.669 319 HA LYS 65 HA LYS 65 -11.904 -5.875 -5.906 320 HB2 LYS 65 2HB LYS 65 -12.466 -7.953 -3.778 321 HB3 LYS 65 1HB LYS 65 -13.629 -7.275 -4.906 322 HG2 LYS 65 2HG LYS 65 -13.096 -8.748 -6.475 323 HG3 LYS 65 1HG LYS 65 -11.373 -8.457 -6.275 324 HD2 LYS 65 2HD LYS 65 -12.904 -10.116 -4.291 325 HD3 LYS 65 1HD LYS 65 -12.270 -10.822 -5.780 326 HE2 LYS 65 2HE LYS 65 -10.054 -10.393 -5.182 327 HE3 LYS 65 1HE LYS 65 -10.512 -9.205 -3.960 328 HZ1 LYS 65 1HZ LYS 65 -10.859 -12.156 -3.801 329 HZ2 LYS 65 2HZ LYS 65 -11.469 -11.060 -2.662 330 HZ3 LYS 65 3HZ LYS 65 -9.794 -11.197 -2.887 331 H LYS 66 H LYS 66 -13.987 -5.460 -4.200 332 HA LYS 66 HA LYS 66 -13.050 -3.292 -2.577 333 HB2 LYS 66 2HB LYS 66 -15.735 -4.431 -3.224 334 HB3 LYS 66 1HB LYS 66 -15.577 -3.353 -1.845 335 HG2 LYS 66 2HG LYS 66 -14.689 -2.651 -4.632 336 HG3 LYS 66 1HG LYS 66 -16.266 -2.238 -3.955 337 HD2 LYS 66 2HD LYS 66 -15.093 -1.042 -2.113 338 HD3 LYS 66 1HD LYS 66 -13.566 -1.350 -2.942 339 HE2 LYS 66 2HE LYS 66 -15.893 0.134 -4.149 340 HE3 LYS 66 1HE LYS 66 -14.526 0.915 -3.355 341 HZ1 LYS 66 1HZ LYS 66 -14.351 -0.842 -5.749 342 HZ2 LYS 66 2HZ LYS 66 -13.057 -0.038 -5.001 343 HZ3 LYS 66 3HZ LYS 66 -14.279 0.854 -5.761 344 HA PRO 67 HA PRO 67 -14.915 -5.882 1.092 345 HB2 PRO 67 2HB PRO 67 -14.574 -8.667 0.153 346 HB3 PRO 67 1HB PRO 67 -15.926 -7.925 1.013 347 HG2 PRO 67 2HG PRO 67 -16.128 -8.538 -1.573 348 HG3 PRO 67 1HG PRO 67 -16.855 -7.055 -0.925 349 HD2 PRO 67 2HD PRO 67 -14.310 -7.403 -2.467 350 HD3 PRO 67 1HD PRO 67 -15.557 -6.145 -2.618 351 H GLU 68 H GLU 68 -12.280 -7.238 -0.798 352 HA GLU 68 HA GLU 68 -10.909 -8.052 1.626 353 HB2 GLU 68 2HB GLU 68 -10.894 -9.616 -0.200 354 HB3 GLU 68 1HB GLU 68 -10.259 -8.407 -1.300 355 HG2 GLU 68 2HG GLU 68 -8.141 -8.421 -0.185 356 HG3 GLU 68 1HG GLU 68 -8.771 -9.470 1.085 357 H ILE 69 H ILE 69 -11.031 -5.322 -0.470 358 HA ILE 69 HA ILE 69 -8.343 -4.506 0.294 359 HB ILE 69 HB ILE 69 -9.437 -4.164 -2.068 360 HG12 ILE 69 2HG1 ILE 69 -7.868 -1.907 -0.835 361 HG13 ILE 69 1HG1 ILE 69 -7.163 -3.462 -1.267 362 HG21 ILE 69 1HG2 ILE 69 -10.301 -1.670 -0.619 363 HG22 ILE 69 2HG2 ILE 69 -11.354 -2.857 -1.391 364 HG23 ILE 69 3HG2 ILE 69 -10.267 -1.867 -2.369 365 HD11 ILE 69 1HD1 ILE 69 -7.832 -3.112 -3.589 366 HD12 ILE 69 2HD1 ILE 69 -6.759 -1.836 -3.004 367 HD13 ILE 69 3HD1 ILE 69 -8.492 -1.535 -3.152 368 H LEU 70 H LEU 70 -11.699 -3.531 0.962 369 HA LEU 70 HA LEU 70 -10.794 -1.235 2.417 370 HG LEU 70 HG LEU 70 -14.965 -2.161 2.744 371 HB2 LEU 70 2HB LEU 70 -12.981 -0.689 2.857 372 HB3 LEU 70 1HB LEU 70 -13.127 -1.568 1.359 373 HD11 LEU 70 1HD1 LEU 70 -12.951 -4.384 2.799 374 HD12 LEU 70 2HD1 LEU 70 -14.066 -3.997 1.485 375 HD13 LEU 70 3HD1 LEU 70 -14.692 -4.566 3.033 376 HD21 LEU 70 1HD2 LEU 70 -14.129 -1.492 4.904 377 HD22 LEU 70 2HD2 LEU 70 -12.967 -2.825 4.895 378 HD23 LEU 70 3HD2 LEU 70 -14.701 -3.162 4.975 379 H GLU 71 H GLU 71 -11.570 -4.564 3.213 380 HA GLU 71 HA GLU 71 -11.396 -4.252 6.027 381 HB2 GLU 71 2HB GLU 71 -12.311 -6.249 4.618 382 HB3 GLU 71 1HB GLU 71 -10.639 -6.786 4.591 383 HG2 GLU 71 2HG GLU 71 -12.244 -6.275 7.087 384 HG3 GLU 71 1HG GLU 71 -11.985 -7.856 6.354 385 H LEU 72 H LEU 72 -9.112 -4.779 3.441 386 HA LEU 72 HA LEU 72 -6.853 -5.331 4.945 387 HG LEU 72 HG LEU 72 -4.686 -5.056 3.706 388 HB2 LEU 72 2HB LEU 72 -6.995 -5.497 2.478 389 HB3 LEU 72 1HB LEU 72 -7.022 -3.751 2.378 390 HD11 LEU 72 1HD1 LEU 72 -5.040 -4.831 0.719 391 HD12 LEU 72 2HD1 LEU 72 -5.038 -6.337 1.637 392 HD13 LEU 72 3HD1 LEU 72 -3.580 -5.347 1.562 393 HD21 LEU 72 1HD2 LEU 72 -3.508 -3.153 2.713 394 HD22 LEU 72 2HD2 LEU 72 -4.880 -2.615 3.683 395 HD23 LEU 72 3HD2 LEU 72 -5.001 -2.639 1.924 396 H MET 73 H MET 73 -8.529 -2.340 4.325 397 HA MET 73 HA MET 73 -6.470 -0.804 5.707 398 HB2 MET 73 2HB MET 73 -8.979 0.028 4.258 399 HB3 MET 73 1HB MET 73 -7.990 1.151 5.182 400 HG2 MET 73 2HG MET 73 -6.053 0.452 3.730 401 HG3 MET 73 1HG MET 73 -7.228 -0.392 2.722 402 HE1 MET 73 1HE MET 73 -6.239 3.097 4.250 403 HE2 MET 73 2HE MET 73 -7.962 2.973 4.611 404 HE3 MET 73 3HE MET 73 -7.388 4.166 3.444 405 H ASN 74 H ASN 74 -9.030 -2.668 6.587 406 HA ASN 74 HA ASN 74 -10.088 -0.900 8.624 407 HB2 ASN 74 2HB ASN 74 -11.431 -2.686 7.321 408 HB3 ASN 74 1HB ASN 74 -10.695 -3.844 8.426 409 HD21 ASN 74 1HD2 ASN 74 -11.628 -0.548 9.193 410 HD22 ASN 74 2HD2 ASN 74 -12.872 -0.964 10.327 411 H GLU 75 H GLU 75 -8.269 -4.005 8.555 412 HA GLU 75 HA GLU 75 -7.535 -3.780 11.306 413 HB2 GLU 75 2HB GLU 75 -6.357 -5.393 9.053 414 HB3 GLU 75 1HB GLU 75 -5.766 -5.473 10.707 415 HG2 GLU 75 2HG GLU 75 -8.167 -6.045 11.345 416 HG3 GLU 75 1HG GLU 75 -8.422 -6.326 9.622 417 H TYR 76 H TYR 76 -5.913 -2.807 8.293 418 HA TYR 76 HA TYR 76 -3.469 -2.140 9.638 419 HD1 TYR 76 1HD TYR 76 -4.078 -4.172 8.720 420 HD2 TYR 76 2HD TYR 76 -2.279 -2.434 5.280 421 HE1 TYR 76 1HE TYR 76 -3.356 -6.404 7.973 422 HE2 TYR 76 2HE TYR 76 -1.555 -4.654 4.526 423 HH TYR 76 HH TYR 76 -1.045 -6.866 5.560 424 HB2 TYR 76 2HB TYR 76 -4.422 -1.410 6.861 425 HB3 TYR 76 1HB TYR 76 -2.802 -1.112 7.475 426 H ASP 77 H ASP 77 -5.724 -0.031 7.836 427 HA ASP 77 HA ASP 77 -4.951 2.220 9.486 428 HB2 ASP 77 2HB ASP 77 -5.351 2.643 7.114 429 HB3 ASP 77 1HB ASP 77 -6.985 2.009 7.247 430 H ARG 78 H ARG 78 -6.912 3.576 10.346 431 HA ARG 78 HA ARG 78 -8.704 1.715 11.750 432 HE ARG 78 HE ARG 78 -5.336 4.783 13.871 433 HB2 ARG 78 2HB ARG 78 -7.648 4.421 12.602 434 HB3 ARG 78 1HB ARG 78 -8.802 3.462 13.503 435 HG2 ARG 78 2HG ARG 78 -6.763 3.054 14.554 436 HG3 ARG 78 1HG ARG 78 -7.027 1.637 13.537 437 HD2 ARG 78 2HD ARG 78 -4.853 2.086 12.994 438 HD3 ARG 78 1HD ARG 78 -5.675 3.080 11.786 439 HH11 ARG 78 1HH1 ARG 78 -3.169 2.696 12.067 440 HH12 ARG 78 2HH1 ARG 78 -1.786 3.722 12.291 441 HH21 ARG 78 1HH2 ARG 78 -3.497 6.136 14.171 442 HH22 ARG 78 2HH2 ARG 78 -1.973 5.659 13.478 443 H GLU 79 H GLU 79 -8.562 3.766 9.269 444 HA GLU 79 HA GLU 79 -9.927 5.105 8.090 445 HB2 GLU 79 2HB GLU 79 -12.091 3.757 9.704 446 HB3 GLU 79 1HB GLU 79 -12.366 4.756 8.280 447 HG2 GLU 79 2HG GLU 79 -10.893 3.171 7.008 448 HG3 GLU 79 1HG GLU 79 -10.921 2.124 8.427 449 H GLY 80 H GLY 80 -9.126 5.627 11.051 450 HA2 GLY 80 2HA GLY 80 -10.651 8.133 11.309 451 HA3 GLY 80 1HA GLY 80 -9.783 7.341 12.624 452 H ASN 81 H ASN 81 -7.588 6.676 10.724 453 HA ASN 81 HA ASN 81 -6.083 9.117 10.938 454 HB2 ASN 81 2HB ASN 81 -5.122 6.796 11.307 455 HB3 ASN 81 1HB ASN 81 -5.245 6.554 9.568 456 HD21 ASN 81 1HD2 ASN 81 -3.712 7.436 8.243 457 HD22 ASN 81 2HD2 ASN 81 -2.362 8.356 8.819 458 H GLY 82 H GLY 82 -8.078 7.541 8.689 459 HA2 GLY 82 2HA GLY 82 -9.100 8.627 6.886 460 HA3 GLY 82 1HA GLY 82 -7.791 9.797 6.878 461 H TYR 83 H TYR 83 -5.635 8.127 6.761 462 HA TYR 83 HA TYR 83 -5.914 6.609 4.275 463 HD1 TYR 83 2HD TYR 83 -5.970 8.263 1.734 464 HD2 TYR 83 1HD TYR 83 -5.085 10.697 5.110 465 HE1 TYR 83 2HE TYR 83 -7.401 10.039 0.824 466 HE2 TYR 83 1HE TYR 83 -6.518 12.480 4.204 467 HH TYR 83 HH TYR 83 -8.651 11.953 1.575 468 HB2 TYR 83 2HB TYR 83 -3.760 8.700 4.612 469 HB3 TYR 83 1HB TYR 83 -4.100 7.738 3.190 470 H ILE 84 H ILE 84 -3.802 5.508 3.805 471 HA ILE 84 HA ILE 84 -2.543 4.661 6.322 472 HB ILE 84 HB ILE 84 -1.580 2.804 4.957 473 HG12 ILE 84 2HG1 ILE 84 -3.344 4.013 2.829 474 HG13 ILE 84 1HG1 ILE 84 -1.607 3.746 2.760 475 HG21 ILE 84 1HG2 ILE 84 -3.539 2.392 6.282 476 HG22 ILE 84 2HG2 ILE 84 -3.688 1.538 4.745 477 HG23 ILE 84 3HG2 ILE 84 -4.580 3.035 5.010 478 HD11 ILE 84 1HD1 ILE 84 -3.689 1.595 2.886 479 HD12 ILE 84 2HD1 ILE 84 -1.950 1.367 2.709 480 HD13 ILE 84 3HD1 ILE 84 -2.874 2.147 1.424 481 H GLY 85 H GLY 85 -0.299 4.660 6.536 482 HA2 GLY 85 2HA GLY 85 0.964 6.700 4.837 483 HA3 GLY 85 1HA GLY 85 1.434 6.310 6.483 484 H PHE 86 H PHE 86 3.322 6.517 4.562 485 HA PHE 86 HA PHE 86 3.975 4.297 3.058 486 HD1 PHE 86 1HD PHE 86 5.463 4.469 1.195 487 HD2 PHE 86 2HD PHE 86 8.001 5.543 4.426 488 HE1 PHE 86 1HE PHE 86 7.338 3.353 0.083 489 HE2 PHE 86 2HE PHE 86 9.885 4.425 3.325 490 HZ PHE 86 HZ PHE 86 9.563 3.325 1.144 491 HB2 PHE 86 2HB PHE 86 5.063 6.488 2.875 492 HB3 PHE 86 1HB PHE 86 5.832 6.241 4.442 493 H ASP 87 H ASP 87 4.395 4.847 6.479 494 HA ASP 87 HA ASP 87 6.336 2.852 6.968 495 HB2 ASP 87 2HB ASP 87 5.774 4.695 8.535 496 HB3 ASP 87 1HB ASP 87 4.227 3.920 8.855 497 H ASP 88 H ASP 88 2.849 2.771 6.692 498 HA ASP 88 HA ASP 88 2.708 -0.019 7.535 499 HB2 ASP 88 2HB ASP 88 0.957 1.844 8.029 500 HB3 ASP 88 1HB ASP 88 0.425 1.556 6.375 501 H PHE 89 H PHE 89 2.379 1.988 4.690 502 HA PHE 89 HA PHE 89 1.552 0.171 2.772 503 HD1 PHE 89 2HD PHE 89 0.736 1.299 0.406 504 HD2 PHE 89 1HD PHE 89 4.866 2.221 0.811 505 HE1 PHE 89 2HE PHE 89 1.033 0.951 -1.995 506 HE2 PHE 89 1HE PHE 89 5.181 1.870 -1.600 507 HZ PHE 89 HZ PHE 89 3.375 1.330 -3.014 508 HB2 PHE 89 2HB PHE 89 1.665 2.553 2.361 509 HB3 PHE 89 1HB PHE 89 3.409 2.544 2.608 510 H LEU 90 H LEU 90 4.700 0.824 4.090 511 HA LEU 90 HA LEU 90 6.367 -0.492 2.324 512 HG LEU 90 HG LEU 90 8.023 0.946 2.812 513 HB2 LEU 90 2HB LEU 90 6.494 0.664 4.888 514 HB3 LEU 90 1HB LEU 90 7.238 -0.919 5.009 515 HD11 LEU 90 1HD1 LEU 90 9.170 0.888 5.598 516 HD12 LEU 90 2HD1 LEU 90 8.267 2.218 4.872 517 HD13 LEU 90 3HD1 LEU 90 9.843 1.765 4.225 518 HD21 LEU 90 1HD2 LEU 90 9.433 -1.276 4.271 519 HD22 LEU 90 2HD2 LEU 90 10.107 -0.326 2.948 520 HD23 LEU 90 3HD2 LEU 90 8.717 -1.375 2.662 521 H ASP 91 H ASP 91 4.646 -1.796 5.137 522 HA ASP 91 HA ASP 91 5.894 -4.330 4.980 523 HB2 ASP 91 2HB ASP 91 3.801 -3.126 6.646 524 HB3 ASP 91 1HB ASP 91 3.622 -4.859 6.373 525 H ILE 92 H ILE 92 3.724 -2.983 2.956 526 HA ILE 92 HA ILE 92 2.268 -5.437 2.292 527 HB ILE 92 HB ILE 92 2.106 -2.703 1.027 528 HG12 ILE 92 2HG1 ILE 92 0.307 -3.935 3.086 529 HG13 ILE 92 1HG1 ILE 92 1.628 -2.848 3.502 530 HG21 ILE 92 1HG2 ILE 92 1.267 -4.543 -0.356 531 HG22 ILE 92 2HG2 ILE 92 -0.046 -3.497 0.188 532 HG23 ILE 92 3HG2 ILE 92 0.222 -5.057 0.967 533 HD11 ILE 92 1HD1 ILE 92 0.521 -1.114 2.096 534 HD12 ILE 92 2HD1 ILE 92 -0.451 -1.633 3.472 535 HD13 ILE 92 3HD1 ILE 92 -0.825 -2.226 1.851 536 H MET 93 H MET 93 4.526 -3.135 0.881 537 HA MET 93 HA MET 93 4.920 -4.756 -1.439 538 HB2 MET 93 2HB MET 93 6.505 -2.448 -0.338 539 HB3 MET 93 1HB MET 93 6.782 -3.202 -1.905 540 HG2 MET 93 2HG MET 93 4.354 -2.682 -2.415 541 HG3 MET 93 1HG MET 93 4.383 -1.645 -0.983 542 HE1 MET 93 1HE MET 93 5.963 -2.337 -4.531 543 HE2 MET 93 2HE MET 93 7.323 -2.390 -3.411 544 HE3 MET 93 3HE MET 93 7.207 -1.085 -4.593 545 H THR 94 H THR 94 6.111 -4.686 1.775 546 HA THR 94 HA THR 94 8.056 -6.758 1.113 547 HB THR 94 HB THR 94 8.647 -6.737 3.478 548 HG1 THR 94 1HG THR 94 7.589 -5.292 4.891 549 HG21 THR 94 1HG2 THR 94 9.682 -5.069 2.005 550 HG22 THR 94 2HG2 THR 94 9.487 -4.447 3.645 551 HG23 THR 94 3HG2 THR 94 8.372 -3.944 2.373 552 H GLU 95 H GLU 95 4.774 -6.473 1.813 553 HA GLU 95 HA GLU 95 4.296 -8.515 3.639 554 HB2 GLU 95 2HB GLU 95 2.627 -6.848 2.915 555 HB3 GLU 95 1HB GLU 95 2.451 -7.724 1.399 556 HG2 GLU 95 2HG GLU 95 0.671 -8.258 2.993 557 HG3 GLU 95 1HG GLU 95 1.656 -9.673 2.614 558 H LYS 96 H LYS 96 3.988 -8.566 0.129 559 HA LYS 96 HA LYS 96 3.189 -11.230 0.067 560 HB2 LYS 96 2HB LYS 96 3.683 -10.983 -2.461 561 HB3 LYS 96 1HB LYS 96 2.420 -10.003 -1.736 562 HG2 LYS 96 2HG LYS 96 3.637 -8.591 -3.183 563 HG3 LYS 96 1HG LYS 96 4.113 -8.153 -1.540 564 HD2 LYS 96 2HD LYS 96 6.036 -9.837 -1.910 565 HD3 LYS 96 1HD LYS 96 5.654 -9.650 -3.622 566 HE2 LYS 96 2HE LYS 96 6.189 -7.325 -1.798 567 HE3 LYS 96 1HE LYS 96 7.463 -8.151 -2.686 568 HZ1 LYS 96 1HZ LYS 96 6.114 -7.658 -4.748 569 HZ2 LYS 96 2HZ LYS 96 6.851 -6.332 -4.002 570 HZ3 LYS 96 3HZ LYS 96 5.191 -6.604 -3.788 571 H ILE 97 H ILE 97 6.361 -9.874 0.207 572 HA ILE 97 HA ILE 97 7.555 -12.364 -0.752 573 HB ILE 97 HB ILE 97 9.753 -11.178 -0.373 574 HG12 ILE 97 2HG1 ILE 97 9.396 -8.592 -0.633 575 HG13 ILE 97 1HG1 ILE 97 7.885 -8.930 0.208 576 HG21 ILE 97 1HG2 ILE 97 9.603 -9.929 -2.480 577 HG22 ILE 97 2HG2 ILE 97 7.848 -10.067 -2.417 578 HG23 ILE 97 3HG2 ILE 97 8.838 -11.517 -2.581 579 HD11 ILE 97 1HD1 ILE 97 9.154 -9.991 2.016 580 HD12 ILE 97 2HD1 ILE 97 9.588 -8.292 1.789 581 HD13 ILE 97 3HD1 ILE 97 10.653 -9.566 1.191 582 H LYS 98 H LYS 98 7.186 -10.518 2.205 583 HA LYS 98 HA LYS 98 8.978 -12.159 3.723 584 HB2 LYS 98 2HB LYS 98 8.833 -10.258 4.911 585 HB3 LYS 98 1HB LYS 98 7.333 -9.796 4.132 586 HG2 LYS 98 2HG LYS 98 6.267 -11.530 5.744 587 HG3 LYS 98 1HG LYS 98 7.762 -11.313 6.660 588 HD2 LYS 98 2HD LYS 98 5.919 -9.793 7.373 589 HD3 LYS 98 1HD LYS 98 7.374 -8.945 6.835 590 HE2 LYS 98 2HE LYS 98 6.391 -8.487 4.687 591 HE3 LYS 98 1HE LYS 98 5.005 -9.508 5.068 592 HZ1 LYS 98 1HZ LYS 98 5.686 -7.000 6.521 593 HZ2 LYS 98 2HZ LYS 98 4.310 -7.963 6.759 594 HZ3 LYS 98 3HZ LYS 98 4.516 -7.125 5.301 595 H ASN 99 H ASN 99 5.546 -12.053 3.073 596 HA ASN 99 HA ASN 99 5.199 -14.600 4.502 597 HB2 ASN 99 2HB ASN 99 3.638 -12.642 4.956 598 HB3 ASN 99 1HB ASN 99 3.056 -12.827 3.308 599 HD21 ASN 99 1HD2 ASN 99 3.940 -15.410 5.547 600 HD22 ASN 99 2HD2 ASN 99 2.354 -16.099 5.651 601 H ARG 100 H ARG 100 6.661 -14.359 2.036 602 HA ARG 100 HA ARG 100 5.018 -14.984 -0.190 603 HE ARG 100 HE ARG 100 10.485 -17.237 0.138 604 HB2 ARG 100 2HB ARG 100 7.000 -15.288 -1.434 605 HB3 ARG 100 1HB ARG 100 7.357 -14.009 -0.282 606 HG2 ARG 100 2HG ARG 100 8.541 -15.593 1.135 607 HG3 ARG 100 1HG ARG 100 8.146 -16.902 0.021 608 HD2 ARG 100 2HD ARG 100 9.370 -15.626 -1.756 609 HD3 ARG 100 1HD ARG 100 9.899 -14.507 -0.499 610 HH11 ARG 100 1HH1 ARG 100 11.605 -14.454 -1.683 611 HH12 ARG 100 2HH1 ARG 100 13.266 -14.967 -1.689 612 HH21 ARG 100 1HH2 ARG 100 12.649 -17.909 0.128 613 HH22 ARG 100 2HH2 ARG 100 13.857 -16.940 -0.656 614 H ASP 101 H ASP 101 6.102 -16.771 2.453 615 HA ASP 101 HA ASP 101 6.033 -19.325 0.994 616 HB2 ASP 101 2HB ASP 101 8.185 -18.570 2.150 617 HB3 ASP 101 1HB ASP 101 7.336 -18.835 3.669 Start of MODEL 6 1 HA LEU 25 HA LEU 25 15.398 -3.489 3.834 2 HG LEU 25 HG LEU 25 13.067 -3.236 5.741 3 H1 LEU 25 1HT LEU 25 16.751 -3.879 5.794 4 H2 LEU 25 2HT LEU 25 15.097 -3.969 6.148 5 H3 LEU 25 3HT LEU 25 15.983 -2.592 6.593 6 HB2 LEU 25 2HB LEU 25 14.406 -1.176 5.499 7 HB3 LEU 25 1HB LEU 25 14.205 -1.262 3.760 8 HD11 LEU 25 1HD1 LEU 25 11.972 -1.076 5.905 9 HD12 LEU 25 2HD1 LEU 25 10.908 -2.252 5.134 10 HD13 LEU 25 3HD1 LEU 25 11.739 -1.042 4.157 11 HD21 LEU 25 1HD2 LEU 25 11.838 -4.099 3.808 12 HD22 LEU 25 2HD2 LEU 25 13.579 -4.256 3.591 13 HD23 LEU 25 3HD2 LEU 25 12.701 -2.973 2.758 14 H SER 26 H SER 26 16.326 -2.290 2.195 15 HA SER 26 HA SER 26 18.467 -0.449 3.027 16 HG SER 26 HG SER 26 19.180 -3.712 1.788 17 HB2 SER 26 2HB SER 26 18.419 -2.204 0.563 18 HB3 SER 26 1HB SER 26 19.757 -1.196 1.114 19 H GLU 27 H GLU 27 19.073 1.100 1.191 20 HA GLU 27 HA GLU 27 16.799 2.655 0.604 21 HB2 GLU 27 2HB GLU 27 19.581 2.827 -0.553 22 HB3 GLU 27 1HB GLU 27 18.341 4.065 -0.698 23 HG2 GLU 27 2HG GLU 27 19.461 3.086 1.905 24 HG3 GLU 27 1HG GLU 27 20.029 4.518 1.052 25 H GLU 28 H GLU 28 18.486 0.200 -1.188 26 HA GLU 28 HA GLU 28 17.545 0.552 -3.763 27 HB2 GLU 28 2HB GLU 28 17.601 -1.944 -3.921 28 HB3 GLU 28 1HB GLU 28 19.058 -1.252 -3.220 29 HG2 GLU 28 2HG GLU 28 18.462 -1.935 -1.045 30 HG3 GLU 28 1HG GLU 28 16.806 -2.302 -1.530 31 H GLN 29 H GLN 29 15.906 -0.941 -1.016 32 HA GLN 29 HA GLN 29 13.529 -1.599 -2.425 33 HB2 GLN 29 2HB GLN 29 14.128 -1.367 0.530 34 HB3 GLN 29 1HB GLN 29 12.684 -2.084 -0.151 35 HG2 GLN 29 2HG GLN 29 15.473 -3.070 -0.638 36 HG3 GLN 29 1HG GLN 29 14.342 -3.745 0.534 37 HE21 GLN 29 1HE2 GLN 29 15.648 -4.826 -1.959 38 HE22 GLN 29 2HE2 GLN 29 14.333 -5.431 -2.911 39 H LYS 30 H LYS 30 14.675 1.070 -0.513 40 HA LYS 30 HA LYS 30 12.189 2.406 -0.279 41 HB2 LYS 30 2HB LYS 30 15.048 3.109 0.165 42 HB3 LYS 30 1HB LYS 30 13.874 4.419 0.036 43 HG2 LYS 30 2HG LYS 30 12.743 3.776 1.876 44 HG3 LYS 30 1HG LYS 30 13.291 2.113 1.806 45 HD2 LYS 30 2HD LYS 30 14.491 2.917 3.604 46 HD3 LYS 30 1HD LYS 30 15.623 3.235 2.286 47 HE2 LYS 30 2HE LYS 30 14.918 5.530 2.167 48 HE3 LYS 30 1HE LYS 30 13.637 5.239 3.345 49 HZ1 LYS 30 1HZ LYS 30 15.337 4.759 5.008 50 HZ2 LYS 30 2HZ LYS 30 15.542 6.309 4.363 51 HZ3 LYS 30 3HZ LYS 30 16.560 5.048 3.866 52 H GLN 31 H GLN 31 14.600 2.226 -2.761 53 HA GLN 31 HA GLN 31 13.734 4.494 -4.183 54 HB2 GLN 31 2HB GLN 31 15.242 2.030 -5.041 55 HB3 GLN 31 1HB GLN 31 14.828 3.307 -6.174 56 HG2 GLN 31 2HG GLN 31 16.019 4.902 -4.626 57 HG3 GLN 31 1HG GLN 31 16.607 3.484 -3.763 58 HE21 GLN 31 1HE2 GLN 31 18.745 3.896 -4.253 59 HE22 GLN 31 2HE2 GLN 31 19.392 3.695 -5.843 60 H GLU 32 H GLU 32 12.783 1.063 -4.353 61 HA GLU 32 HA GLU 32 10.895 1.633 -6.443 62 HB2 GLU 32 2HB GLU 32 10.072 -0.703 -6.016 63 HB3 GLU 32 1HB GLU 32 11.752 -0.569 -6.503 64 HG2 GLU 32 2HG GLU 32 12.510 -1.045 -4.315 65 HG3 GLU 32 1HG GLU 32 10.891 -0.858 -3.639 66 H ILE 33 H ILE 33 10.584 0.728 -3.013 67 HA ILE 33 HA ILE 33 7.796 0.849 -2.881 68 HB ILE 33 HB ILE 33 9.816 1.331 -0.689 69 HG12 ILE 33 2HG1 ILE 33 8.323 -1.138 -1.598 70 HG13 ILE 33 1HG1 ILE 33 10.064 -0.871 -1.642 71 HG21 ILE 33 1HG2 ILE 33 7.973 0.773 0.855 72 HG22 ILE 33 2HG2 ILE 33 6.858 0.796 -0.513 73 HG23 ILE 33 3HG2 ILE 33 7.699 2.271 -0.037 74 HD11 ILE 33 1HD1 ILE 33 8.370 -1.117 0.834 75 HD12 ILE 33 2HD1 ILE 33 10.115 -0.842 0.799 76 HD13 ILE 33 3HD1 ILE 33 9.447 -2.351 0.174 77 H LYS 34 H LYS 34 10.135 3.320 -1.821 78 HA LYS 34 HA LYS 34 8.050 5.049 -0.967 79 HB2 LYS 34 2HB LYS 34 10.103 5.132 0.211 80 HB3 LYS 34 1HB LYS 34 11.015 5.421 -1.261 81 HG2 LYS 34 2HG LYS 34 10.726 7.597 -1.129 82 HG3 LYS 34 1HG LYS 34 8.995 7.436 -0.828 83 HD2 LYS 34 2HD LYS 34 9.978 8.511 1.064 84 HD3 LYS 34 1HD LYS 34 9.551 6.857 1.524 85 HE2 LYS 34 2HE LYS 34 11.853 6.152 1.208 86 HE3 LYS 34 1HE LYS 34 12.292 7.764 0.650 87 HZ1 LYS 34 1HZ LYS 34 11.460 6.967 3.385 88 HZ2 LYS 34 2HZ LYS 34 11.579 8.584 2.888 89 HZ3 LYS 34 3HZ LYS 34 12.957 7.597 2.897 90 H GLU 35 H GLU 35 10.071 4.925 -3.882 91 HA GLU 35 HA GLU 35 9.205 7.414 -4.915 92 HB2 GLU 35 2HB GLU 35 11.166 6.189 -5.760 93 HB3 GLU 35 1HB GLU 35 10.102 4.948 -6.410 94 HG2 GLU 35 2HG GLU 35 9.087 6.610 -7.897 95 HG3 GLU 35 1HG GLU 35 10.190 7.832 -7.262 96 H ALA 36 H ALA 36 7.905 4.160 -5.015 97 HA ALA 36 HA ALA 36 5.779 4.746 -6.810 98 HB1 ALA 36 1HB ALA 36 6.597 2.465 -6.424 99 HB2 ALA 36 2HB ALA 36 4.864 2.604 -6.135 100 HB3 ALA 36 3HB ALA 36 5.983 2.533 -4.772 101 H PHE 37 H PHE 37 6.249 5.144 -3.367 102 HA PHE 37 HA PHE 37 3.565 5.345 -2.587 103 HD1 PHE 37 1HD PHE 37 3.005 4.914 -0.207 104 HD2 PHE 37 2HD PHE 37 5.319 8.476 -0.096 105 HE1 PHE 37 1HE PHE 37 1.555 5.790 1.565 106 HE2 PHE 37 2HE PHE 37 3.877 9.362 1.677 107 HZ PHE 37 HZ PHE 37 1.983 8.021 2.516 108 HB2 PHE 37 2HB PHE 37 5.479 5.123 -1.032 109 HB3 PHE 37 1HB PHE 37 5.981 6.757 -1.447 110 H ASP 38 H ASP 38 5.890 7.798 -3.696 111 HA ASP 38 HA ASP 38 4.083 9.982 -3.603 112 HB2 ASP 38 2HB ASP 38 6.505 9.579 -5.373 113 HB3 ASP 38 1HB ASP 38 5.660 11.106 -5.146 114 H LEU 39 H LEU 39 4.851 7.566 -6.000 115 HA LEU 39 HA LEU 39 3.529 8.656 -8.214 116 HG LEU 39 HG LEU 39 2.299 5.699 -8.984 117 HB2 LEU 39 2HB LEU 39 5.048 6.872 -8.557 118 HB3 LEU 39 1HB LEU 39 4.213 5.842 -7.412 119 HD11 LEU 39 1HD1 LEU 39 4.133 7.201 -10.845 120 HD12 LEU 39 2HD1 LEU 39 2.605 7.782 -10.178 121 HD13 LEU 39 3HD1 LEU 39 2.617 6.424 -11.302 122 HD21 LEU 39 1HD2 LEU 39 3.396 4.205 -10.571 123 HD22 LEU 39 2HD2 LEU 39 4.022 3.972 -8.938 124 HD23 LEU 39 3HD2 LEU 39 4.964 4.873 -10.124 125 H PHE 40 H PHE 40 2.377 6.257 -5.836 126 HA PHE 40 HA PHE 40 -0.194 6.110 -7.053 127 HD1 PHE 40 1HD PHE 40 -0.193 4.153 -7.817 128 HD2 PHE 40 2HD PHE 40 2.022 3.229 -4.303 129 HE1 PHE 40 1HE PHE 40 0.839 2.252 -8.977 130 HE2 PHE 40 2HE PHE 40 3.064 1.325 -5.460 131 HZ PHE 40 HZ PHE 40 2.475 0.833 -7.800 132 HB2 PHE 40 2HB PHE 40 0.709 5.130 -4.340 133 HB3 PHE 40 1HB PHE 40 -0.829 4.739 -5.104 134 H ASP 41 H ASP 41 1.148 8.025 -4.421 135 HA ASP 41 HA ASP 41 -1.336 9.145 -3.618 136 HB2 ASP 41 2HB ASP 41 0.527 9.465 -2.144 137 HB3 ASP 41 1HB ASP 41 1.492 10.196 -3.422 138 H THR 42 H THR 42 -2.477 9.562 -5.440 139 HA THR 42 HA THR 42 -1.420 11.435 -7.405 140 HB THR 42 HB THR 42 -3.716 10.934 -8.498 141 HG1 THR 42 1HG THR 42 -3.592 8.613 -6.874 142 HG21 THR 42 1HG2 THR 42 -1.712 8.694 -8.165 143 HG22 THR 42 2HG2 THR 42 -1.573 10.034 -9.304 144 HG23 THR 42 3HG2 THR 42 -2.879 8.862 -9.478 145 H ASN 43 H ASN 43 -2.837 11.639 -4.505 146 HA ASN 43 HA ASN 43 -4.578 13.888 -5.156 147 HB2 ASN 43 2HB ASN 43 -5.450 12.225 -3.570 148 HB3 ASN 43 1HB ASN 43 -4.070 12.494 -2.513 149 HD21 ASN 43 1HD2 ASN 43 -5.530 13.017 -0.841 150 HD22 ASN 43 2HD2 ASN 43 -6.292 14.571 -0.771 151 H LYS 44 H LYS 44 -2.228 13.310 -2.535 152 HA LYS 44 HA LYS 44 -0.289 15.081 -2.744 153 HB2 LYS 44 2HB LYS 44 -0.985 17.278 -1.919 154 HB3 LYS 44 1HB LYS 44 -1.816 16.895 -3.420 155 HG2 LYS 44 2HG LYS 44 -3.857 16.718 -2.408 156 HG3 LYS 44 1HG LYS 44 -3.168 16.237 -0.856 157 HD2 LYS 44 2HD LYS 44 -2.945 19.005 -2.031 158 HD3 LYS 44 1HD LYS 44 -4.165 18.516 -0.852 159 HE2 LYS 44 2HE LYS 44 -2.351 17.882 0.704 160 HE3 LYS 44 1HE LYS 44 -1.173 18.481 -0.463 161 HZ1 LYS 44 1HZ LYS 44 -3.305 20.129 0.780 162 HZ2 LYS 44 2HZ LYS 44 -2.068 20.682 -0.239 163 HZ3 LYS 44 3HZ LYS 44 -1.696 20.081 1.305 164 H THR 45 H THR 45 -2.774 13.792 -0.802 165 HA THR 45 HA THR 45 -2.137 14.917 1.685 166 HB THR 45 HB THR 45 -4.328 13.974 1.205 167 HG1 THR 45 1HG THR 45 -3.384 12.259 3.222 168 HG21 THR 45 1HG2 THR 45 -3.667 12.114 -0.213 169 HG22 THR 45 2HG2 THR 45 -4.681 11.547 1.116 170 HG23 THR 45 3HG2 THR 45 -2.934 11.297 1.169 171 H GLY 46 H GLY 46 -0.344 12.712 -0.095 172 HA2 GLY 46 2HA GLY 46 1.507 11.451 0.428 173 HA3 GLY 46 1HA GLY 46 1.569 12.348 1.944 174 H SER 47 H SER 47 -1.107 10.411 0.862 175 HA SER 47 HA SER 47 -0.471 8.159 2.517 176 HG SER 47 HG SER 47 -1.686 11.202 3.333 177 HB2 SER 47 2HB SER 47 -2.843 8.630 3.704 178 HB3 SER 47 1HB SER 47 -1.316 9.190 4.385 179 H ILE 48 H ILE 48 -1.956 6.410 2.142 180 HA ILE 48 HA ILE 48 -3.230 6.742 -0.491 181 HB ILE 48 HB ILE 48 -2.317 4.169 0.805 182 HG12 ILE 48 2HG1 ILE 48 -0.382 5.601 0.456 183 HG13 ILE 48 1HG1 ILE 48 -0.367 4.278 -0.703 184 HG21 ILE 48 1HG2 ILE 48 -2.450 3.278 -1.487 185 HG22 ILE 48 2HG2 ILE 48 -3.102 4.822 -2.030 186 HG23 ILE 48 3HG2 ILE 48 -4.009 3.836 -0.884 187 HD11 ILE 48 1HD1 ILE 48 -1.254 7.098 -1.281 188 HD12 ILE 48 2HD1 ILE 48 -1.188 5.768 -2.438 189 HD13 ILE 48 3HD1 ILE 48 0.300 6.391 -1.725 190 H ASP 49 H ASP 49 -5.404 6.499 -0.659 191 HA ASP 49 HA ASP 49 -6.704 4.904 1.446 192 HB2 ASP 49 2HB ASP 49 -8.702 6.115 1.246 193 HB3 ASP 49 1HB ASP 49 -7.451 7.344 1.202 194 H TYR 50 H TYR 50 -8.794 3.860 0.527 195 HA TYR 50 HA TYR 50 -7.798 1.806 -1.061 196 HD1 TYR 50 2HD TYR 50 -10.325 3.301 1.745 197 HD2 TYR 50 1HD TYR 50 -12.018 2.187 -1.996 198 HE1 TYR 50 2HE TYR 50 -12.269 4.738 2.200 199 HE2 TYR 50 1HE TYR 50 -13.958 3.624 -1.550 200 HH TYR 50 HH TYR 50 -14.015 5.978 0.747 201 HB2 TYR 50 2HB TYR 50 -10.162 0.971 -1.100 202 HB3 TYR 50 1HB TYR 50 -9.522 1.319 0.500 203 H HIS 51 H HIS 51 -8.977 4.819 -2.183 204 HA HIS 51 HA HIS 51 -10.066 3.720 -4.611 205 HD1 HIS 51 1HD HIS 51 -8.824 7.650 -2.581 206 HD2 HIS 51 2HD HIS 51 -8.891 7.242 -6.721 207 HE1 HIS 51 1HE HIS 51 -7.506 9.585 -3.477 208 HE2 HIS 51 2HE HIS 51 -7.352 9.174 -5.947 209 HB2 HIS 51 2HB HIS 51 -10.769 5.814 -5.178 210 HB3 HIS 51 1HB HIS 51 -10.622 6.017 -3.437 211 H GLU 52 H GLU 52 -6.955 5.305 -3.745 212 HA GLU 52 HA GLU 52 -6.032 4.557 -6.422 213 HB2 GLU 52 2HB GLU 52 -4.044 5.853 -6.046 214 HB3 GLU 52 1HB GLU 52 -5.454 6.826 -5.668 215 HG2 GLU 52 2HG GLU 52 -4.277 5.419 -3.380 216 HG3 GLU 52 1HG GLU 52 -3.241 6.633 -4.132 217 H LEU 53 H LEU 53 -6.144 3.258 -3.353 218 HA LEU 53 HA LEU 53 -3.726 1.836 -3.232 219 HG LEU 53 HG LEU 53 -4.775 -0.881 -2.199 220 HB2 LEU 53 2HB LEU 53 -5.343 1.969 -1.367 221 HB3 LEU 53 1HB LEU 53 -6.447 0.949 -2.269 222 HD11 LEU 53 1HD1 LEU 53 -2.753 0.427 -1.960 223 HD12 LEU 53 2HD1 LEU 53 -2.906 -0.713 -0.623 224 HD13 LEU 53 3HD1 LEU 53 -3.281 0.993 -0.375 225 HD21 LEU 53 1HD2 LEU 53 -6.577 -0.795 -0.569 226 HD22 LEU 53 2HD2 LEU 53 -5.600 0.233 0.479 227 HD23 LEU 53 3HD2 LEU 53 -5.103 -1.428 0.164 228 H LYS 54 H LYS 54 -6.627 1.352 -5.086 229 HA LYS 54 HA LYS 54 -6.393 -1.335 -5.761 230 HB2 LYS 54 2HB LYS 54 -7.472 0.927 -7.442 231 HB3 LYS 54 1HB LYS 54 -7.755 -0.782 -7.741 232 HG2 LYS 54 2HG LYS 54 -8.896 -0.969 -5.586 233 HG3 LYS 54 1HG LYS 54 -8.627 0.753 -5.304 234 HD2 LYS 54 2HD LYS 54 -10.244 -0.453 -7.551 235 HD3 LYS 54 1HD LYS 54 -10.887 0.374 -6.131 236 HE2 LYS 54 2HE LYS 54 -9.742 2.433 -6.837 237 HE3 LYS 54 1HE LYS 54 -9.139 1.599 -8.267 238 HZ1 LYS 54 1HZ LYS 54 -11.484 1.214 -8.909 239 HZ2 LYS 54 2HZ LYS 54 -11.057 2.858 -8.867 240 HZ3 LYS 54 3HZ LYS 54 -11.975 2.188 -7.607 241 H VAL 55 H VAL 55 -4.985 1.509 -7.390 242 HA VAL 55 HA VAL 55 -3.868 -0.045 -9.505 243 HB VAL 55 HB VAL 55 -2.621 1.953 -10.151 244 HG11 VAL 55 1HG1 VAL 55 -5.475 2.520 -9.375 245 HG12 VAL 55 2HG1 VAL 55 -4.921 1.763 -10.867 246 HG13 VAL 55 3HG1 VAL 55 -4.533 3.452 -10.537 247 HG21 VAL 55 1HG2 VAL 55 -2.030 2.774 -7.929 248 HG22 VAL 55 2HG2 VAL 55 -3.714 3.216 -7.646 249 HG23 VAL 55 3HG2 VAL 55 -2.788 4.032 -8.906 250 H ALA 56 H ALA 56 -2.789 0.897 -6.333 251 HA ALA 56 HA ALA 56 -0.046 0.217 -6.671 252 HB1 ALA 56 1HB ALA 56 -1.724 0.288 -4.162 253 HB2 ALA 56 2HB ALA 56 -0.791 1.629 -4.826 254 HB3 ALA 56 3HB ALA 56 0.035 0.195 -4.218 255 H MET 57 H MET 57 -2.861 -1.491 -5.406 256 HA MET 57 HA MET 57 -1.626 -3.921 -4.761 257 HB2 MET 57 2HB MET 57 -4.456 -3.434 -5.715 258 HB3 MET 57 1HB MET 57 -3.892 -4.883 -4.892 259 HG2 MET 57 2HG MET 57 -3.774 -2.134 -3.679 260 HG3 MET 57 1HG MET 57 -5.133 -3.236 -3.474 261 HE1 MET 57 1HE MET 57 -3.776 -6.086 -1.347 262 HE2 MET 57 2HE MET 57 -4.056 -6.031 -3.087 263 HE3 MET 57 3HE MET 57 -5.195 -5.256 -1.987 264 H ARG 58 H ARG 58 -3.102 -2.784 -7.762 265 HA ARG 58 HA ARG 58 -2.767 -5.206 -9.199 266 HE ARG 58 HE ARG 58 -4.240 -2.885 -12.499 267 HB2 ARG 58 2HB ARG 58 -3.285 -2.362 -10.010 268 HB3 ARG 58 1HB ARG 58 -3.005 -3.611 -11.218 269 HG2 ARG 58 2HG ARG 58 -4.913 -4.849 -10.473 270 HG3 ARG 58 1HG ARG 58 -5.137 -3.764 -9.100 271 HD2 ARG 58 2HD ARG 58 -6.694 -3.354 -11.004 272 HD3 ARG 58 1HD ARG 58 -5.735 -1.955 -10.532 273 HH11 ARG 58 1HH1 ARG 58 -7.726 -2.689 -12.356 274 HH12 ARG 58 2HH1 ARG 58 -7.907 -2.295 -14.032 275 HH21 ARG 58 1HH2 ARG 58 -4.458 -2.353 -14.713 276 HH22 ARG 58 2HH2 ARG 58 -6.050 -2.106 -15.376 277 H ALA 59 H ALA 59 -0.822 -2.243 -8.988 278 HA ALA 59 HA ALA 59 1.101 -2.848 -10.905 279 HB1 ALA 59 1HB ALA 59 2.561 -1.286 -9.726 280 HB2 ALA 59 2HB ALA 59 1.494 -1.342 -8.324 281 HB3 ALA 59 3HB ALA 59 0.918 -0.658 -9.843 282 H LEU 60 H LEU 60 0.852 -3.894 -7.561 283 HA LEU 60 HA LEU 60 3.363 -5.311 -7.603 284 HG LEU 60 HG LEU 60 2.071 -3.233 -5.764 285 HB2 LEU 60 2HB LEU 60 1.038 -5.539 -5.690 286 HB3 LEU 60 1HB LEU 60 2.652 -6.172 -5.431 287 HD11 LEU 60 1HD1 LEU 60 2.211 -3.071 -3.343 288 HD12 LEU 60 2HD1 LEU 60 2.369 -4.824 -3.225 289 HD13 LEU 60 3HD1 LEU 60 0.874 -4.113 -3.834 290 HD21 LEU 60 1HD2 LEU 60 4.365 -3.854 -6.229 291 HD22 LEU 60 2HD2 LEU 60 4.458 -4.753 -4.715 292 HD23 LEU 60 3HD2 LEU 60 4.277 -2.998 -4.690 293 H GLY 61 H GLY 61 -0.074 -6.159 -7.694 294 HA2 GLY 61 2HA GLY 61 -0.645 -7.823 -9.423 295 HA3 GLY 61 1HA GLY 61 0.704 -8.774 -8.829 296 H PHE 62 H PHE 62 -2.008 -7.084 -7.255 297 HA PHE 62 HA PHE 62 -2.633 -9.616 -5.893 298 HD1 PHE 62 2HD PHE 62 -1.826 -9.942 -3.717 299 HD2 PHE 62 1HD PHE 62 -1.532 -5.716 -4.078 300 HE1 PHE 62 2HE PHE 62 0.185 -9.967 -2.305 301 HE2 PHE 62 1HE PHE 62 0.474 -5.729 -2.667 302 HZ PHE 62 HZ PHE 62 1.340 -7.856 -1.776 303 HB2 PHE 62 2HB PHE 62 -3.247 -6.773 -5.087 304 HB3 PHE 62 1HB PHE 62 -3.862 -8.187 -4.247 305 H ASP 63 H ASP 63 -4.667 -10.423 -5.896 306 HA ASP 63 HA ASP 63 -6.762 -8.825 -7.202 307 HB2 ASP 63 2HB ASP 63 -7.831 -11.029 -7.859 308 HB3 ASP 63 1HB ASP 63 -6.365 -10.602 -8.728 309 H VAL 64 H VAL 64 -7.482 -7.965 -5.322 310 HA VAL 64 HA VAL 64 -8.286 -9.815 -3.178 311 HB VAL 64 HB VAL 64 -8.191 -7.841 -1.671 312 HG11 VAL 64 1HG1 VAL 64 -5.657 -8.513 -3.161 313 HG12 VAL 64 2HG1 VAL 64 -6.317 -9.373 -1.771 314 HG13 VAL 64 3HG1 VAL 64 -5.727 -7.722 -1.586 315 HG21 VAL 64 1HG2 VAL 64 -6.931 -6.490 -4.056 316 HG22 VAL 64 2HG2 VAL 64 -7.073 -5.812 -2.434 317 HG23 VAL 64 3HG2 VAL 64 -8.524 -6.123 -3.392 318 H LYS 65 H LYS 65 -9.409 -7.536 -5.466 319 HA LYS 65 HA LYS 65 -11.475 -6.788 -6.033 320 HB2 LYS 65 2HB LYS 65 -12.212 -9.070 -4.226 321 HB3 LYS 65 1HB LYS 65 -13.456 -8.012 -4.862 322 HG2 LYS 65 2HG LYS 65 -13.248 -10.021 -6.192 323 HG3 LYS 65 1HG LYS 65 -12.812 -8.606 -7.139 324 HD2 LYS 65 2HD LYS 65 -10.604 -10.014 -5.761 325 HD3 LYS 65 1HD LYS 65 -11.374 -10.873 -7.097 326 HE2 LYS 65 2HE LYS 65 -10.225 -8.083 -7.242 327 HE3 LYS 65 1HE LYS 65 -9.427 -9.547 -7.821 328 HZ1 LYS 65 1HZ LYS 65 -11.147 -9.865 -9.435 329 HZ2 LYS 65 2HZ LYS 65 -10.568 -8.280 -9.587 330 HZ3 LYS 65 3HZ LYS 65 -12.048 -8.568 -8.818 331 H LYS 66 H LYS 66 -13.714 -6.088 -4.761 332 HA LYS 66 HA LYS 66 -12.899 -3.863 -3.244 333 HB2 LYS 66 2HB LYS 66 -14.975 -3.938 -4.591 334 HB3 LYS 66 1HB LYS 66 -15.676 -5.039 -3.414 335 HG2 LYS 66 2HG LYS 66 -16.493 -2.820 -3.003 336 HG3 LYS 66 1HG LYS 66 -15.424 -3.292 -1.682 337 HD2 LYS 66 2HD LYS 66 -13.583 -2.047 -2.817 338 HD3 LYS 66 1HD LYS 66 -14.758 -1.479 -4.000 339 HE2 LYS 66 2HE LYS 66 -14.764 -0.935 -1.033 340 HE3 LYS 66 1HE LYS 66 -14.413 0.219 -2.319 341 HZ1 LYS 66 1HZ LYS 66 -17.007 -1.036 -1.645 342 HZ2 LYS 66 2HZ LYS 66 -16.743 -0.255 -3.126 343 HZ3 LYS 66 3HZ LYS 66 -16.616 0.616 -1.675 344 HA PRO 67 HA PRO 67 -15.061 -6.144 0.569 345 HB2 PRO 67 2HB PRO 67 -14.458 -8.870 0.517 346 HB3 PRO 67 1HB PRO 67 -16.033 -8.146 0.185 347 HG2 PRO 67 2HG PRO 67 -13.911 -9.041 -1.718 348 HG3 PRO 67 1HG PRO 67 -15.676 -9.167 -1.860 349 HD2 PRO 67 2HD PRO 67 -14.327 -7.321 -3.223 350 HD3 PRO 67 1HD PRO 67 -15.900 -6.935 -2.492 351 H GLU 68 H GLU 68 -12.080 -7.611 -0.773 352 HA GLU 68 HA GLU 68 -11.020 -7.739 1.937 353 HB2 GLU 68 2HB GLU 68 -9.928 -8.834 -0.655 354 HB3 GLU 68 1HB GLU 68 -9.160 -9.030 0.916 355 HG2 GLU 68 2HG GLU 68 -11.264 -10.127 1.703 356 HG3 GLU 68 1HG GLU 68 -11.819 -10.095 0.031 357 H ILE 69 H ILE 69 -11.018 -5.470 -0.507 358 HA ILE 69 HA ILE 69 -8.274 -4.662 0.010 359 HB ILE 69 HB ILE 69 -9.273 -4.559 -2.322 360 HG12 ILE 69 2HG1 ILE 69 -8.080 -1.987 -1.271 361 HG13 ILE 69 1HG1 ILE 69 -7.155 -3.453 -1.580 362 HG21 ILE 69 1HG2 ILE 69 -10.594 -2.099 -1.191 363 HG22 ILE 69 2HG2 ILE 69 -11.400 -3.529 -1.835 364 HG23 ILE 69 3HG2 ILE 69 -10.467 -2.484 -2.906 365 HD11 ILE 69 1HD1 ILE 69 -7.734 -3.342 -3.934 366 HD12 ILE 69 2HD1 ILE 69 -6.950 -1.853 -3.402 367 HD13 ILE 69 3HD1 ILE 69 -8.698 -1.895 -3.640 368 H LEU 70 H LEU 70 -11.558 -3.385 0.615 369 HA LEU 70 HA LEU 70 -10.457 -1.088 1.923 370 HG LEU 70 HG LEU 70 -14.707 -1.684 2.025 371 HB2 LEU 70 2HB LEU 70 -12.629 -0.357 2.375 372 HB3 LEU 70 1HB LEU 70 -12.742 -1.150 0.825 373 HD11 LEU 70 1HD1 LEU 70 -14.608 -4.105 2.255 374 HD12 LEU 70 2HD1 LEU 70 -12.842 -4.030 2.215 375 HD13 LEU 70 3HD1 LEU 70 -13.782 -3.543 0.802 376 HD21 LEU 70 1HD2 LEU 70 -13.963 -1.102 4.267 377 HD22 LEU 70 2HD2 LEU 70 -12.959 -2.556 4.322 378 HD23 LEU 70 3HD2 LEU 70 -14.720 -2.697 4.253 379 H GLU 71 H GLU 71 -11.555 -4.269 2.918 380 HA GLU 71 HA GLU 71 -11.403 -3.780 5.708 381 HB2 GLU 71 2HB GLU 71 -12.593 -5.725 4.796 382 HB3 GLU 71 1HB GLU 71 -11.078 -6.372 4.182 383 HG2 GLU 71 2HG GLU 71 -11.757 -7.491 6.228 384 HG3 GLU 71 1HG GLU 71 -10.234 -6.629 6.439 385 H LEU 72 H LEU 72 -9.107 -4.513 3.218 386 HA LEU 72 HA LEU 72 -6.940 -5.262 4.786 387 HG LEU 72 HG LEU 72 -4.726 -5.220 3.551 388 HB2 LEU 72 2HB LEU 72 -7.027 -5.404 2.312 389 HB3 LEU 72 1HB LEU 72 -6.921 -3.659 2.225 390 HD11 LEU 72 1HD1 LEU 72 -5.084 -6.305 1.399 391 HD12 LEU 72 2HD1 LEU 72 -3.590 -5.366 1.384 392 HD13 LEU 72 3HD1 LEU 72 -5.034 -4.739 0.588 393 HD21 LEU 72 1HD2 LEU 72 -3.360 -3.360 2.787 394 HD22 LEU 72 2HD2 LEU 72 -4.737 -2.761 3.712 395 HD23 LEU 72 3HD2 LEU 72 -4.746 -2.658 1.951 396 H MET 73 H MET 73 -8.438 -2.192 4.212 397 HA MET 73 HA MET 73 -6.229 -0.780 5.503 398 HB2 MET 73 2HB MET 73 -8.631 0.184 3.961 399 HB3 MET 73 1HB MET 73 -7.580 1.268 4.865 400 HG2 MET 73 2HG MET 73 -5.675 0.482 3.530 401 HG3 MET 73 1HG MET 73 -6.786 -0.504 2.571 402 HE1 MET 73 1HE MET 73 -7.627 3.029 4.047 403 HE2 MET 73 2HE MET 73 -7.010 4.092 2.780 404 HE3 MET 73 3HE MET 73 -5.892 3.113 3.733 405 H ASN 74 H ASN 74 -9.495 -1.811 5.905 406 HA ASN 74 HA ASN 74 -10.161 -0.186 8.105 407 HB2 ASN 74 2HB ASN 74 -11.692 -1.675 6.638 408 HB3 ASN 74 1HB ASN 74 -11.218 -2.983 7.719 409 HD21 ASN 74 1HD2 ASN 74 -10.958 -0.928 9.869 410 HD22 ASN 74 2HD2 ASN 74 -12.585 -0.677 10.433 411 H GLU 75 H GLU 75 -8.800 -3.463 7.882 412 HA GLU 75 HA GLU 75 -8.350 -3.836 10.636 413 HB2 GLU 75 2HB GLU 75 -7.193 -5.021 8.147 414 HB3 GLU 75 1HB GLU 75 -6.485 -5.410 9.710 415 HG2 GLU 75 2HG GLU 75 -9.383 -5.801 9.005 416 HG3 GLU 75 1HG GLU 75 -8.149 -7.059 8.924 417 H TYR 76 H TYR 76 -6.360 -2.272 8.159 418 HA TYR 76 HA TYR 76 -4.064 -2.235 9.933 419 HD1 TYR 76 1HD TYR 76 -4.085 -4.038 9.269 420 HD2 TYR 76 2HD TYR 76 -2.533 -2.508 5.612 421 HE1 TYR 76 1HE TYR 76 -3.335 -6.295 8.641 422 HE2 TYR 76 2HE TYR 76 -1.785 -4.760 4.979 423 HH TYR 76 HH TYR 76 -1.139 -6.875 6.184 424 HB2 TYR 76 2HB TYR 76 -4.437 -1.330 7.082 425 HB3 TYR 76 1HB TYR 76 -2.938 -1.088 7.972 426 H ASP 77 H ASP 77 -6.391 0.075 8.651 427 HA ASP 77 HA ASP 77 -4.934 2.347 9.611 428 HB2 ASP 77 2HB ASP 77 -6.345 2.664 7.689 429 HB3 ASP 77 1HB ASP 77 -7.754 2.066 8.550 430 H ARG 78 H ARG 78 -6.220 3.931 11.047 431 HA ARG 78 HA ARG 78 -6.209 2.860 13.636 432 HE ARG 78 HE ARG 78 -4.504 7.394 10.794 433 HB2 ARG 78 2HB ARG 78 -7.560 5.439 12.892 434 HB3 ARG 78 1HB ARG 78 -6.641 5.056 14.344 435 HG2 ARG 78 2HG ARG 78 -4.593 5.155 13.202 436 HG3 ARG 78 1HG ARG 78 -5.382 5.119 11.625 437 HD2 ARG 78 2HD ARG 78 -6.426 7.329 12.233 438 HD3 ARG 78 1HD ARG 78 -5.339 7.366 13.625 439 HH11 ARG 78 1HH1 ARG 78 -3.901 8.065 14.174 440 HH12 ARG 78 2HH1 ARG 78 -2.347 8.789 13.889 441 HH21 ARG 78 1HH2 ARG 78 -2.474 8.363 10.398 442 HH22 ARG 78 2HH2 ARG 78 -1.552 8.996 11.730 443 H GLU 79 H GLU 79 -9.017 4.694 12.491 444 HA GLU 79 HA GLU 79 -10.762 2.484 13.354 445 HB2 GLU 79 2HB GLU 79 -11.179 5.413 13.971 446 HB3 GLU 79 1HB GLU 79 -12.297 4.120 14.364 447 HG2 GLU 79 2HG GLU 79 -10.615 3.134 15.849 448 HG3 GLU 79 1HG GLU 79 -9.529 4.476 15.480 449 H GLY 80 H GLY 80 -9.828 4.323 10.842 450 HA2 GLY 80 2HA GLY 80 -11.215 4.049 8.794 451 HA3 GLY 80 1HA GLY 80 -12.567 4.602 9.775 452 H ASN 81 H ASN 81 -9.238 5.784 9.585 453 HA ASN 81 HA ASN 81 -10.035 8.521 9.393 454 HB2 ASN 81 2HB ASN 81 -7.864 7.854 10.344 455 HB3 ASN 81 1HB ASN 81 -7.382 7.185 8.792 456 HD21 ASN 81 1HD2 ASN 81 -9.103 10.233 9.285 457 HD22 ASN 81 2HD2 ASN 81 -7.819 11.244 8.718 458 H GLY 82 H GLY 82 -9.337 5.944 7.205 459 HA2 GLY 82 2HA GLY 82 -10.511 5.990 5.075 460 HA3 GLY 82 1HA GLY 82 -10.108 7.697 4.960 461 H TYR 83 H TYR 83 -7.379 7.072 6.040 462 HA TYR 83 HA TYR 83 -6.237 5.941 3.579 463 HD1 TYR 83 1HD TYR 83 -7.640 9.202 4.843 464 HD2 TYR 83 2HD TYR 83 -5.141 8.577 1.457 465 HE1 TYR 83 1HE TYR 83 -9.065 10.699 3.521 466 HE2 TYR 83 2HE TYR 83 -6.560 10.082 0.128 467 HH TYR 83 HH TYR 83 -8.985 12.059 1.568 468 HB2 TYR 83 2HB TYR 83 -5.142 8.376 4.973 469 HB3 TYR 83 1HB TYR 83 -4.541 7.641 3.503 470 H ILE 84 H ILE 84 -3.941 5.436 3.811 471 HA ILE 84 HA ILE 84 -3.198 4.723 6.572 472 HB ILE 84 HB ILE 84 -1.885 2.848 5.582 473 HG12 ILE 84 2HG1 ILE 84 -3.129 3.944 3.090 474 HG13 ILE 84 1HG1 ILE 84 -1.493 3.355 3.358 475 HG21 ILE 84 1HG2 ILE 84 -4.846 2.781 5.011 476 HG22 ILE 84 2HG2 ILE 84 -4.087 2.468 6.573 477 HG23 ILE 84 3HG2 ILE 84 -3.798 1.379 5.215 478 HD11 ILE 84 1HD1 ILE 84 -2.319 1.071 3.381 479 HD12 ILE 84 2HD1 ILE 84 -2.752 1.900 1.886 480 HD13 ILE 84 3HD1 ILE 84 -3.964 1.665 3.147 481 H GLY 85 H GLY 85 -0.768 4.508 6.820 482 HA2 GLY 85 2HA GLY 85 0.436 6.843 5.493 483 HA3 GLY 85 1HA GLY 85 0.922 6.189 7.052 484 H PHE 86 H PHE 86 2.842 6.729 5.224 485 HA PHE 86 HA PHE 86 3.506 4.719 3.412 486 HD1 PHE 86 1HD PHE 86 5.311 5.059 1.597 487 HD2 PHE 86 2HD PHE 86 7.386 5.841 5.221 488 HE1 PHE 86 1HE PHE 86 7.319 4.024 0.660 489 HE2 PHE 86 2HE PHE 86 9.404 4.807 4.290 490 HZ PHE 86 HZ PHE 86 9.382 3.893 2.000 491 HB2 PHE 86 2HB PHE 86 4.612 6.868 3.348 492 HB3 PHE 86 1HB PHE 86 5.254 6.633 4.969 493 H ASP 87 H ASP 87 4.088 5.019 6.874 494 HA ASP 87 HA ASP 87 5.885 2.876 7.164 495 HB2 ASP 87 2HB ASP 87 3.842 3.977 9.105 496 HB3 ASP 87 1HB ASP 87 5.091 2.813 9.539 497 H ASP 88 H ASP 88 2.419 2.987 6.823 498 HA ASP 88 HA ASP 88 2.090 0.182 7.512 499 HB2 ASP 88 2HB ASP 88 0.057 2.139 6.417 500 HB3 ASP 88 1HB ASP 88 -0.286 0.550 7.089 501 H PHE 89 H PHE 89 3.010 1.921 4.836 502 HA PHE 89 HA PHE 89 1.735 0.169 2.857 503 HD1 PHE 89 2HD PHE 89 1.055 0.961 0.317 504 HD2 PHE 89 1HD PHE 89 4.856 2.706 1.069 505 HE1 PHE 89 2HE PHE 89 1.682 0.599 -2.030 506 HE2 PHE 89 1HE PHE 89 5.500 2.352 -1.257 507 HZ PHE 89 HZ PHE 89 3.908 1.302 -2.833 508 HB2 PHE 89 2HB PHE 89 1.573 2.510 2.317 509 HB3 PHE 89 1HB PHE 89 3.280 2.758 2.694 510 H LEU 90 H LEU 90 4.700 1.234 4.194 511 HA LEU 90 HA LEU 90 6.600 0.172 2.508 512 HG LEU 90 HG LEU 90 8.791 -0.364 4.931 513 HB2 LEU 90 2HB LEU 90 6.795 1.781 4.403 514 HB3 LEU 90 1HB LEU 90 6.693 0.429 5.498 515 HD11 LEU 90 1HD1 LEU 90 8.800 1.492 2.558 516 HD12 LEU 90 2HD1 LEU 90 8.547 -0.253 2.490 517 HD13 LEU 90 3HD1 LEU 90 10.100 0.393 3.021 518 HD21 LEU 90 1HD2 LEU 90 8.964 2.630 4.744 519 HD22 LEU 90 2HD2 LEU 90 10.280 1.542 5.191 520 HD23 LEU 90 3HD2 LEU 90 8.867 1.695 6.238 521 H ASP 91 H ASP 91 4.966 -1.301 5.291 522 HA ASP 91 HA ASP 91 6.523 -3.697 5.131 523 HB2 ASP 91 2HB ASP 91 5.253 -2.660 7.197 524 HB3 ASP 91 1HB ASP 91 3.942 -3.650 6.574 525 H ILE 92 H ILE 92 4.208 -2.559 3.163 526 HA ILE 92 HA ILE 92 2.860 -5.113 2.609 527 HB ILE 92 HB ILE 92 2.536 -2.473 1.198 528 HG12 ILE 92 2HG1 ILE 92 2.280 -2.459 3.724 529 HG13 ILE 92 1HG1 ILE 92 0.911 -1.849 2.782 530 HG21 ILE 92 1HG2 ILE 92 0.346 -3.366 0.595 531 HG22 ILE 92 2HG2 ILE 92 0.705 -4.854 1.473 532 HG23 ILE 92 3HG2 ILE 92 1.640 -4.428 0.040 533 HD11 ILE 92 1HD1 ILE 92 0.148 -3.232 4.608 534 HD12 ILE 92 2HD1 ILE 92 1.155 -4.567 4.043 535 HD13 ILE 92 3HD1 ILE 92 -0.208 -4.015 3.068 536 H MET 93 H MET 93 4.838 -2.669 0.986 537 HA MET 93 HA MET 93 5.360 -4.378 -1.239 538 HB2 MET 93 2HB MET 93 6.669 -1.856 -0.257 539 HB3 MET 93 1HB MET 93 7.199 -2.712 -1.700 540 HG2 MET 93 2HG MET 93 4.743 -2.511 -2.448 541 HG3 MET 93 1HG MET 93 4.627 -1.273 -1.200 542 HE1 MET 93 1HE MET 93 6.376 -2.384 -4.506 543 HE2 MET 93 2HE MET 93 7.747 -2.130 -3.428 544 HE3 MET 93 3HE MET 93 7.492 -1.050 -4.802 545 H THR 94 H THR 94 6.465 -4.200 1.972 546 HA THR 94 HA THR 94 8.594 -6.114 1.362 547 HB THR 94 HB THR 94 9.052 -6.099 3.781 548 HG1 THR 94 1HG THR 94 7.912 -4.766 5.139 549 HG21 THR 94 1HG2 THR 94 10.120 -4.422 2.319 550 HG22 THR 94 2HG2 THR 94 9.870 -3.819 3.957 551 HG23 THR 94 3HG2 THR 94 8.787 -3.317 2.657 552 H GLU 95 H GLU 95 5.296 -5.945 2.372 553 HA GLU 95 HA GLU 95 4.902 -8.164 3.909 554 HB2 GLU 95 2HB GLU 95 3.100 -6.638 3.441 555 HB3 GLU 95 1HB GLU 95 3.085 -7.115 1.748 556 HG2 GLU 95 2HG GLU 95 1.251 -8.123 2.996 557 HG3 GLU 95 1HG GLU 95 2.356 -9.342 2.368 558 H LYS 96 H LYS 96 4.822 -7.980 0.400 559 HA LYS 96 HA LYS 96 4.119 -10.709 0.182 560 HB2 LYS 96 2HB LYS 96 4.422 -10.222 -2.324 561 HB3 LYS 96 1HB LYS 96 3.143 -9.395 -1.449 562 HG2 LYS 96 2HG LYS 96 4.047 -7.688 -2.688 563 HG3 LYS 96 1HG LYS 96 4.910 -7.517 -1.159 564 HD2 LYS 96 2HD LYS 96 6.395 -9.327 -2.713 565 HD3 LYS 96 1HD LYS 96 5.949 -7.994 -3.781 566 HE2 LYS 96 2HE LYS 96 6.707 -6.599 -1.627 567 HE3 LYS 96 1HE LYS 96 7.694 -8.038 -1.396 568 HZ1 LYS 96 1HZ LYS 96 7.699 -6.227 -3.750 569 HZ2 LYS 96 2HZ LYS 96 8.484 -7.727 -3.731 570 HZ3 LYS 96 3HZ LYS 96 8.964 -6.503 -2.657 571 H ILE 97 H ILE 97 7.161 -9.335 0.670 572 HA ILE 97 HA ILE 97 8.426 -11.567 -0.731 573 HB ILE 97 HB ILE 97 10.622 -10.508 0.024 574 HG12 ILE 97 2HG1 ILE 97 10.254 -7.899 0.035 575 HG13 ILE 97 1HG1 ILE 97 8.703 -8.343 0.739 576 HG21 ILE 97 1HG2 ILE 97 8.877 -9.136 -2.005 577 HG22 ILE 97 2HG2 ILE 97 9.861 -10.579 -2.264 578 HG23 ILE 97 3HG2 ILE 97 10.636 -9.031 -1.922 579 HD11 ILE 97 1HD1 ILE 97 10.313 -7.861 2.467 580 HD12 ILE 97 2HD1 ILE 97 11.412 -9.073 1.811 581 HD13 ILE 97 3HD1 ILE 97 9.865 -9.569 2.503 582 H LYS 98 H LYS 98 8.194 -10.298 2.609 583 HA LYS 98 HA LYS 98 9.654 -12.644 3.507 584 HB2 LYS 98 2HB LYS 98 9.294 -11.505 5.817 585 HB3 LYS 98 1HB LYS 98 10.471 -10.873 4.683 586 HG2 LYS 98 2HG LYS 98 9.403 -9.004 5.535 587 HG3 LYS 98 1HG LYS 98 8.676 -9.246 3.950 588 HD2 LYS 98 2HD LYS 98 6.755 -10.349 5.035 589 HD3 LYS 98 1HD LYS 98 7.486 -10.022 6.613 590 HE2 LYS 98 2HE LYS 98 7.494 -7.611 6.047 591 HE3 LYS 98 1HE LYS 98 6.638 -7.999 4.554 592 HZ1 LYS 98 1HZ LYS 98 5.531 -8.802 7.177 593 HZ2 LYS 98 2HZ LYS 98 4.712 -8.551 5.710 594 HZ3 LYS 98 3HZ LYS 98 5.296 -7.227 6.593 595 H ASN 99 H ASN 99 6.416 -11.621 3.214 596 HA ASN 99 HA ASN 99 5.626 -14.119 4.564 597 HB2 ASN 99 2HB ASN 99 4.540 -12.022 5.452 598 HB3 ASN 99 1HB ASN 99 3.846 -11.778 3.853 599 HD21 ASN 99 1HD2 ASN 99 1.751 -11.885 4.661 600 HD22 ASN 99 2HD2 ASN 99 1.037 -13.388 5.158 601 H ARG 100 H ARG 100 6.826 -13.503 1.984 602 HA ARG 100 HA ARG 100 5.186 -13.606 -0.207 603 HE ARG 100 HE ARG 100 8.297 -16.819 -1.743 604 HB2 ARG 100 2HB ARG 100 7.696 -13.437 -0.152 605 HB3 ARG 100 1HB ARG 100 7.741 -15.178 0.093 606 HG2 ARG 100 2HG ARG 100 6.473 -15.419 -2.044 607 HG3 ARG 100 1HG ARG 100 6.704 -13.687 -2.297 608 HD2 ARG 100 2HD ARG 100 8.443 -14.740 -3.491 609 HD3 ARG 100 1HD ARG 100 9.181 -14.115 -2.016 610 HH11 ARG 100 1HH1 ARG 100 10.937 -14.790 -2.857 611 HH12 ARG 100 2HH1 ARG 100 12.110 -16.077 -2.805 612 HH21 ARG 100 1HH2 ARG 100 9.831 -18.497 -1.660 613 HH22 ARG 100 2HH2 ARG 100 11.472 -18.195 -2.135 614 H ASP 101 H ASP 101 6.341 -16.236 1.820 615 HA ASP 101 HA ASP 101 4.625 -18.119 0.339 616 HB2 ASP 101 2HB ASP 101 6.994 -18.532 -0.090 617 HB3 ASP 101 1HB ASP 101 7.303 -18.639 1.638 Start of MODEL 7 1 HA LEU 25 HA LEU 25 15.880 -4.340 3.681 2 HG LEU 25 HG LEU 25 13.526 -4.170 5.598 3 H1 LEU 25 1HT LEU 25 15.514 -4.530 6.033 4 H2 LEU 25 2HT LEU 25 16.154 -2.979 6.295 5 H3 LEU 25 3HT LEU 25 17.153 -4.225 5.720 6 HB2 LEU 25 2HB LEU 25 14.444 -1.967 4.872 7 HB3 LEU 25 1HB LEU 25 14.290 -2.496 3.207 8 HD11 LEU 25 1HD1 LEU 25 11.217 -3.660 4.984 9 HD12 LEU 25 2HD1 LEU 25 11.792 -2.545 3.744 10 HD13 LEU 25 3HD1 LEU 25 12.105 -2.210 5.448 11 HD21 LEU 25 1HD2 LEU 25 12.385 -5.564 3.945 12 HD22 LEU 25 2HD2 LEU 25 14.119 -5.477 3.629 13 HD23 LEU 25 3HD2 LEU 25 12.996 -4.533 2.649 14 H SER 26 H SER 26 17.275 -3.668 2.207 15 HA SER 26 HA SER 26 19.177 -1.638 2.754 16 HG SER 26 HG SER 26 18.841 -4.592 0.570 17 HB2 SER 26 2HB SER 26 18.635 -2.596 -0.028 18 HB3 SER 26 1HB SER 26 20.175 -2.248 0.753 19 H GLU 27 H GLU 27 19.521 0.303 1.491 20 HA GLU 27 HA GLU 27 17.293 1.987 1.483 21 HB2 GLU 27 2HB GLU 27 19.984 2.326 0.147 22 HB3 GLU 27 1HB GLU 27 18.791 3.606 0.298 23 HG2 GLU 27 2HG GLU 27 20.487 3.838 1.994 24 HG3 GLU 27 1HG GLU 27 18.939 3.448 2.737 25 H GLU 28 H GLU 28 18.661 0.025 -1.026 26 HA GLU 28 HA GLU 28 17.569 1.164 -3.314 27 HB2 GLU 28 2HB GLU 28 17.680 -1.200 -4.213 28 HB3 GLU 28 1HB GLU 28 19.178 -0.572 -3.534 29 HG2 GLU 28 2HG GLU 28 18.658 -1.749 -1.422 30 HG3 GLU 28 1HG GLU 28 17.247 -2.455 -2.207 31 H GLN 29 H GLN 29 16.152 -1.171 -1.046 32 HA GLN 29 HA GLN 29 13.735 -1.583 -2.438 33 HB2 GLN 29 2HB GLN 29 14.415 -1.819 0.498 34 HB3 GLN 29 1HB GLN 29 12.860 -2.291 -0.176 35 HG2 GLN 29 2HG GLN 29 15.481 -3.439 -1.092 36 HG3 GLN 29 1HG GLN 29 14.499 -4.146 0.188 37 HE21 GLN 29 1HE2 GLN 29 15.277 -5.236 -2.410 38 HE22 GLN 29 2HE2 GLN 29 13.802 -5.639 -3.221 39 H LYS 30 H LYS 30 14.677 0.675 0.107 40 HA LYS 30 HA LYS 30 12.238 1.899 0.631 41 HB2 LYS 30 2HB LYS 30 14.743 3.521 0.439 42 HB3 LYS 30 1HB LYS 30 13.435 3.653 1.590 43 HG2 LYS 30 2HG LYS 30 15.228 1.276 1.547 44 HG3 LYS 30 1HG LYS 30 15.671 2.774 2.359 45 HD2 LYS 30 2HD LYS 30 13.090 1.370 2.932 46 HD3 LYS 30 1HD LYS 30 14.587 0.952 3.770 47 HE2 LYS 30 2HE LYS 30 14.778 3.440 4.296 48 HE3 LYS 30 1HE LYS 30 13.097 3.558 3.783 49 HZ1 LYS 30 1HZ LYS 30 14.225 2.137 6.113 50 HZ2 LYS 30 2HZ LYS 30 12.721 1.683 5.483 51 HZ3 LYS 30 3HZ LYS 30 12.954 3.257 6.061 52 H GLN 31 H GLN 31 14.687 2.662 -1.768 53 HA GLN 31 HA GLN 31 13.669 4.954 -2.879 54 HB2 GLN 31 2HB GLN 31 15.176 2.671 -4.121 55 HB3 GLN 31 1HB GLN 31 14.750 4.109 -5.039 56 HG2 GLN 31 2HG GLN 31 16.350 4.130 -2.489 57 HG3 GLN 31 1HG GLN 31 17.047 4.140 -4.112 58 HE21 GLN 31 1HE2 GLN 31 15.375 5.981 -1.695 59 HE22 GLN 31 2HE2 GLN 31 15.513 7.520 -2.479 60 H GLU 32 H GLU 32 12.886 1.607 -3.867 61 HA GLU 32 HA GLU 32 10.966 2.352 -5.813 62 HB2 GLU 32 2HB GLU 32 11.158 -0.206 -4.205 63 HB3 GLU 32 1HB GLU 32 10.167 0.020 -5.638 64 HG2 GLU 32 2HG GLU 32 12.247 0.472 -6.925 65 HG3 GLU 32 1HG GLU 32 13.172 0.042 -5.485 66 H ILE 33 H ILE 33 10.849 1.917 -2.377 67 HA ILE 33 HA ILE 33 8.045 1.694 -2.090 68 HB ILE 33 HB ILE 33 10.180 2.508 -0.120 69 HG12 ILE 33 2HG1 ILE 33 8.672 -0.088 -0.491 70 HG13 ILE 33 1HG1 ILE 33 10.301 0.213 -1.081 71 HG21 ILE 33 1HG2 ILE 33 7.294 1.806 0.408 72 HG22 ILE 33 2HG2 ILE 33 8.034 3.396 0.604 73 HG23 ILE 33 3HG2 ILE 33 8.541 2.057 1.634 74 HD11 ILE 33 1HD1 ILE 33 10.298 -1.076 0.980 75 HD12 ILE 33 2HD1 ILE 33 9.454 0.239 1.801 76 HD13 ILE 33 3HD1 ILE 33 11.091 0.485 1.193 77 H LYS 34 H LYS 34 10.212 4.523 -1.586 78 HA LYS 34 HA LYS 34 8.052 6.334 -1.117 79 HB2 LYS 34 2HB LYS 34 10.324 7.604 -2.419 80 HB3 LYS 34 1HB LYS 34 9.598 7.954 -0.873 81 HG2 LYS 34 2HG LYS 34 11.471 5.648 -1.204 82 HG3 LYS 34 1HG LYS 34 12.054 7.287 -0.960 83 HD2 LYS 34 2HD LYS 34 11.101 7.448 1.152 84 HD3 LYS 34 1HD LYS 34 10.017 6.080 0.875 85 HE2 LYS 34 2HE LYS 34 11.723 4.522 1.123 86 HE3 LYS 34 1HE LYS 34 12.991 5.702 0.812 87 HZ1 LYS 34 1HZ LYS 34 11.982 6.756 3.006 88 HZ2 LYS 34 2HZ LYS 34 13.173 5.559 3.059 89 HZ3 LYS 34 3HZ LYS 34 11.549 5.145 3.304 90 H GLU 35 H GLU 35 9.713 5.133 -3.882 91 HA GLU 35 HA GLU 35 8.962 6.948 -5.854 92 HB2 GLU 35 2HB GLU 35 10.625 4.972 -5.860 93 HB3 GLU 35 1HB GLU 35 9.227 3.985 -6.283 94 HG2 GLU 35 2HG GLU 35 10.375 4.543 -8.293 95 HG3 GLU 35 1HG GLU 35 8.845 5.415 -8.263 96 H ALA 36 H ALA 36 7.449 3.861 -4.923 97 HA ALA 36 HA ALA 36 5.133 4.241 -6.536 98 HB1 ALA 36 1HB ALA 36 4.225 2.316 -5.348 99 HB2 ALA 36 2HB ALA 36 5.519 2.425 -4.155 100 HB3 ALA 36 3HB ALA 36 5.896 2.018 -5.828 101 H PHE 37 H PHE 37 5.952 4.888 -3.180 102 HA PHE 37 HA PHE 37 3.507 5.564 -2.117 103 HD1 PHE 37 1HD PHE 37 3.036 5.827 0.086 104 HD2 PHE 37 2HD PHE 37 6.169 8.682 -0.242 105 HE1 PHE 37 1HE PHE 37 1.988 7.167 1.850 106 HE2 PHE 37 2HE PHE 37 5.134 10.027 1.528 107 HZ PHE 37 HZ PHE 37 3.022 9.277 2.579 108 HB2 PHE 37 2HB PHE 37 5.614 5.406 -0.832 109 HB3 PHE 37 1HB PHE 37 6.183 6.879 -1.609 110 H ASP 38 H ASP 38 5.851 7.745 -3.659 111 HA ASP 38 HA ASP 38 4.220 10.057 -3.523 112 HB2 ASP 38 2HB ASP 38 6.704 10.034 -3.795 113 HB3 ASP 38 1HB ASP 38 6.479 9.484 -5.448 114 H LEU 39 H LEU 39 4.642 7.543 -5.903 115 HA LEU 39 HA LEU 39 3.296 8.780 -8.050 116 HG LEU 39 HG LEU 39 1.911 5.837 -8.765 117 HB2 LEU 39 2HB LEU 39 4.706 6.954 -8.533 118 HB3 LEU 39 1HB LEU 39 3.930 5.933 -7.340 119 HD11 LEU 39 1HD1 LEU 39 3.595 7.385 -10.730 120 HD12 LEU 39 2HD1 LEU 39 2.143 7.964 -9.910 121 HD13 LEU 39 3HD1 LEU 39 2.033 6.643 -11.073 122 HD21 LEU 39 1HD2 LEU 39 4.455 5.044 -10.178 123 HD22 LEU 39 2HD2 LEU 39 2.846 4.389 -10.478 124 HD23 LEU 39 3HD2 LEU 39 3.634 4.109 -8.926 125 H PHE 40 H PHE 40 2.178 6.538 -5.523 126 HA PHE 40 HA PHE 40 -0.450 6.405 -6.656 127 HD1 PHE 40 1HD PHE 40 -0.692 4.588 -7.449 128 HD2 PHE 40 2HD PHE 40 1.672 3.273 -4.165 129 HE1 PHE 40 1HE PHE 40 0.011 2.617 -8.744 130 HE2 PHE 40 2HE PHE 40 2.378 1.306 -5.449 131 HZ PHE 40 HZ PHE 40 1.504 0.987 -7.792 132 HB2 PHE 40 2HB PHE 40 0.675 5.345 -4.067 133 HB3 PHE 40 1HB PHE 40 -0.989 5.098 -4.585 134 H ASP 41 H ASP 41 1.071 8.356 -4.176 135 HA ASP 41 HA ASP 41 -1.418 9.287 -3.106 136 HB2 ASP 41 2HB ASP 41 0.651 9.465 -1.779 137 HB3 ASP 41 1HB ASP 41 1.308 10.597 -2.956 138 H THR 42 H THR 42 -2.656 9.854 -4.827 139 HA THR 42 HA THR 42 -1.744 12.011 -6.570 140 HB THR 42 HB THR 42 -3.948 11.579 -7.755 141 HG1 THR 42 1HG THR 42 -3.970 9.195 -6.198 142 HG21 THR 42 1HG2 THR 42 -2.077 9.217 -7.511 143 HG22 THR 42 2HG2 THR 42 -1.797 10.635 -8.520 144 HG23 THR 42 3HG2 THR 42 -3.155 9.563 -8.863 145 H ASN 43 H ASN 43 -2.857 11.922 -3.610 146 HA ASN 43 HA ASN 43 -4.842 14.071 -3.885 147 HB2 ASN 43 2HB ASN 43 -4.011 12.526 -1.411 148 HB3 ASN 43 1HB ASN 43 -5.326 13.691 -1.510 149 HD21 ASN 43 1HD2 ASN 43 -4.285 10.481 -2.184 150 HD22 ASN 43 2HD2 ASN 43 -5.822 9.845 -2.683 151 H LYS 44 H LYS 44 -1.652 13.301 -2.850 152 HA LYS 44 HA LYS 44 0.134 14.504 -2.187 153 HB2 LYS 44 2HB LYS 44 -0.569 16.158 -3.933 154 HB3 LYS 44 1HB LYS 44 -1.494 17.001 -2.695 155 HG2 LYS 44 2HG LYS 44 0.708 17.164 -1.409 156 HG3 LYS 44 1HG LYS 44 1.481 16.696 -2.922 157 HD2 LYS 44 2HD LYS 44 1.469 19.113 -2.678 158 HD3 LYS 44 1HD LYS 44 0.449 18.625 -4.033 159 HE2 LYS 44 2HE LYS 44 -1.537 18.897 -2.675 160 HE3 LYS 44 1HE LYS 44 -0.551 19.259 -1.259 161 HZ1 LYS 44 1HZ LYS 44 -1.558 21.209 -2.467 162 HZ2 LYS 44 2HZ LYS 44 -0.446 20.911 -3.714 163 HZ3 LYS 44 3HZ LYS 44 0.106 21.301 -2.161 164 H THR 45 H THR 45 -0.409 13.513 -0.159 165 HA THR 45 HA THR 45 -0.633 15.506 1.915 166 HB THR 45 HB THR 45 -3.015 14.956 1.379 167 HG1 THR 45 1HG THR 45 -3.524 14.357 3.660 168 HG21 THR 45 1HG2 THR 45 -2.738 12.615 0.751 169 HG22 THR 45 2HG2 THR 45 -3.907 12.774 2.063 170 HG23 THR 45 3HG2 THR 45 -2.271 12.215 2.405 171 H GLY 46 H GLY 46 0.644 12.746 0.669 172 HA2 GLY 46 2HA GLY 46 2.234 11.320 1.542 173 HA3 GLY 46 1HA GLY 46 2.064 12.141 3.089 174 H SER 47 H SER 47 -0.616 10.758 1.332 175 HA SER 47 HA SER 47 -0.697 8.356 2.922 176 HG SER 47 HG SER 47 -0.521 10.021 4.602 177 HB2 SER 47 2HB SER 47 -2.824 10.484 3.301 178 HB3 SER 47 1HB SER 47 -2.842 8.867 4.002 179 H ILE 48 H ILE 48 -1.924 6.790 1.949 180 HA ILE 48 HA ILE 48 -3.284 7.566 -0.547 181 HB ILE 48 HB ILE 48 -2.041 4.930 0.259 182 HG12 ILE 48 2HG1 ILE 48 -0.796 5.405 -1.966 183 HG13 ILE 48 1HG1 ILE 48 -1.317 7.066 -1.719 184 HG21 ILE 48 1HG2 ILE 48 -2.679 4.083 -1.941 185 HG22 ILE 48 2HG2 ILE 48 -3.576 5.570 -2.249 186 HG23 ILE 48 3HG2 ILE 48 -4.088 4.484 -0.958 187 HD11 ILE 48 1HD1 ILE 48 0.922 6.738 -0.887 188 HD12 ILE 48 2HD1 ILE 48 0.359 5.440 0.167 189 HD13 ILE 48 3HD1 ILE 48 -0.187 7.096 0.438 190 H ASP 49 H ASP 49 -5.368 6.948 -0.909 191 HA ASP 49 HA ASP 49 -6.835 5.882 1.403 192 HB2 ASP 49 2HB ASP 49 -7.518 8.098 0.486 193 HB3 ASP 49 1HB ASP 49 -7.822 7.343 -1.071 194 H TYR 50 H TYR 50 -8.723 4.393 0.802 195 HA TYR 50 HA TYR 50 -7.774 2.235 -0.757 196 HD1 TYR 50 1HD TYR 50 -11.888 2.888 -1.408 197 HD2 TYR 50 2HD TYR 50 -10.224 3.290 2.486 198 HE1 TYR 50 1HE TYR 50 -13.793 4.291 -0.743 199 HE2 TYR 50 2HE TYR 50 -12.128 4.689 3.159 200 HH TYR 50 HH TYR 50 -14.942 5.046 1.177 201 HB2 TYR 50 2HB TYR 50 -10.125 1.340 -0.553 202 HB3 TYR 50 1HB TYR 50 -9.319 1.701 0.966 203 H HIS 51 H HIS 51 -9.460 5.108 -1.563 204 HA HIS 51 HA HIS 51 -10.517 4.484 -4.068 205 HD1 HIS 51 1HD HIS 51 -8.693 8.140 -5.480 206 HD2 HIS 51 2HD HIS 51 -12.519 6.533 -5.130 207 HE1 HIS 51 1HE HIS 51 -9.969 8.963 -7.490 208 HE2 HIS 51 2HE HIS 51 -12.321 8.119 -7.167 209 HB2 HIS 51 2HB HIS 51 -10.731 6.669 -2.840 210 HB3 HIS 51 1HB HIS 51 -9.065 7.028 -3.284 211 H GLU 52 H GLU 52 -7.235 5.592 -3.219 212 HA GLU 52 HA GLU 52 -6.191 5.108 -5.859 213 HB2 GLU 52 2HB GLU 52 -4.917 5.852 -3.233 214 HB3 GLU 52 1HB GLU 52 -3.956 5.486 -4.654 215 HG2 GLU 52 2HG GLU 52 -4.204 7.865 -4.366 216 HG3 GLU 52 1HG GLU 52 -5.008 7.334 -5.840 217 H LEU 53 H LEU 53 -6.458 3.335 -2.885 218 HA LEU 53 HA LEU 53 -4.266 1.642 -3.058 219 HG LEU 53 HG LEU 53 -5.484 0.003 -0.020 220 HB2 LEU 53 2HB LEU 53 -6.324 1.950 -1.301 221 HB3 LEU 53 1HB LEU 53 -6.734 0.406 -2.021 222 HD11 LEU 53 1HD1 LEU 53 -5.015 -1.511 -1.860 223 HD12 LEU 53 2HD1 LEU 53 -3.594 -1.281 -0.839 224 HD13 LEU 53 3HD1 LEU 53 -3.704 -0.460 -2.396 225 HD21 LEU 53 1HD2 LEU 53 -3.209 0.853 0.302 226 HD22 LEU 53 2HD2 LEU 53 -4.395 2.156 0.194 227 HD23 LEU 53 3HD2 LEU 53 -3.362 1.789 -1.186 228 H LYS 54 H LYS 54 -7.439 1.368 -4.608 229 HA LYS 54 HA LYS 54 -7.216 -1.306 -5.434 230 HB2 LYS 54 2HB LYS 54 -8.621 0.900 -6.953 231 HB3 LYS 54 1HB LYS 54 -8.950 -0.825 -7.050 232 HG2 LYS 54 2HG LYS 54 -9.635 -0.761 -4.660 233 HG3 LYS 54 1HG LYS 54 -9.454 0.992 -4.707 234 HD2 LYS 54 2HD LYS 54 -11.348 -0.684 -6.355 235 HD3 LYS 54 1HD LYS 54 -11.776 0.412 -5.041 236 HE2 LYS 54 2HE LYS 54 -10.505 1.221 -7.656 237 HE3 LYS 54 1HE LYS 54 -12.213 1.385 -7.256 238 HZ1 LYS 54 1HZ LYS 54 -9.943 2.775 -5.937 239 HZ2 LYS 54 2HZ LYS 54 -11.551 2.855 -5.404 240 HZ3 LYS 54 3HZ LYS 54 -11.131 3.470 -6.925 241 H VAL 55 H VAL 55 -5.879 1.630 -6.765 242 HA VAL 55 HA VAL 55 -4.852 0.295 -9.126 243 HB VAL 55 HB VAL 55 -4.215 3.052 -8.049 244 HG11 VAL 55 1HG1 VAL 55 -3.413 3.523 -10.311 245 HG12 VAL 55 2HG1 VAL 55 -3.733 1.851 -10.774 246 HG13 VAL 55 3HG1 VAL 55 -2.500 2.210 -9.565 247 HG21 VAL 55 1HG2 VAL 55 -6.580 2.870 -8.557 248 HG22 VAL 55 2HG2 VAL 55 -6.210 2.204 -10.147 249 HG23 VAL 55 3HG2 VAL 55 -5.776 3.870 -9.767 250 H ALA 56 H ALA 56 -3.720 1.479 -6.017 251 HA ALA 56 HA ALA 56 -0.976 1.064 -6.329 252 HB1 ALA 56 1HB ALA 56 -1.952 2.349 -4.492 253 HB2 ALA 56 2HB ALA 56 -0.874 1.089 -3.888 254 HB3 ALA 56 3HB ALA 56 -2.622 0.867 -3.806 255 H MET 57 H MET 57 -3.360 -1.082 -4.731 256 HA MET 57 HA MET 57 -1.535 -3.187 -4.343 257 HB2 MET 57 2HB MET 57 -3.495 -4.599 -3.899 258 HB3 MET 57 1HB MET 57 -3.534 -3.085 -3.019 259 HG2 MET 57 2HG MET 57 -5.722 -3.446 -3.726 260 HG3 MET 57 1HG MET 57 -5.083 -2.236 -4.836 261 HE1 MET 57 1HE MET 57 -4.063 -5.973 -4.965 262 HE2 MET 57 2HE MET 57 -5.285 -6.688 -6.019 263 HE3 MET 57 3HE MET 57 -5.728 -6.134 -4.404 264 H ARG 58 H ARG 58 -3.531 -2.326 -7.025 265 HA ARG 58 HA ARG 58 -3.368 -4.728 -8.487 266 HE ARG 58 HE ARG 58 -6.731 -3.320 -10.889 267 HB2 ARG 58 2HB ARG 58 -4.939 -2.897 -9.018 268 HB3 ARG 58 1HB ARG 58 -3.584 -1.895 -9.522 269 HG2 ARG 58 2HG ARG 58 -3.077 -3.518 -11.302 270 HG3 ARG 58 1HG ARG 58 -4.491 -4.459 -10.818 271 HD2 ARG 58 2HD ARG 58 -4.513 -1.600 -11.785 272 HD3 ARG 58 1HD ARG 58 -4.986 -3.012 -12.730 273 HH11 ARG 58 1HH1 ARG 58 -5.525 -0.190 -11.926 274 HH12 ARG 58 2HH1 ARG 58 -6.994 0.646 -11.510 275 HH21 ARG 58 1HH2 ARG 58 -8.638 -2.239 -10.347 276 HH22 ARG 58 2HH2 ARG 58 -8.763 -0.521 -10.582 277 H ALA 59 H ALA 59 -1.427 -1.748 -8.659 278 HA ALA 59 HA ALA 59 0.406 -2.662 -10.581 279 HB1 ALA 59 1HB ALA 59 0.779 -0.590 -8.423 280 HB2 ALA 59 2HB ALA 59 0.161 -0.308 -10.051 281 HB3 ALA 59 3HB ALA 59 1.833 -0.815 -9.817 282 H LEU 60 H LEU 60 0.354 -2.937 -7.072 283 HA LEU 60 HA LEU 60 2.937 -4.045 -6.747 284 HG LEU 60 HG LEU 60 1.024 -2.110 -5.184 285 HB2 LEU 60 2HB LEU 60 0.468 -4.525 -5.083 286 HB3 LEU 60 1HB LEU 60 2.118 -4.859 -4.595 287 HD11 LEU 60 1HD1 LEU 60 1.003 -1.792 -2.796 288 HD12 LEU 60 2HD1 LEU 60 1.620 -3.425 -2.545 289 HD13 LEU 60 3HD1 LEU 60 0.009 -3.188 -3.221 290 HD21 LEU 60 1HD2 LEU 60 3.089 -1.327 -4.159 291 HD22 LEU 60 2HD2 LEU 60 3.432 -2.325 -5.571 292 HD23 LEU 60 3HD2 LEU 60 3.633 -2.992 -3.952 293 H GLY 61 H GLY 61 -0.273 -5.540 -7.049 294 HA2 GLY 61 2HA GLY 61 -0.535 -7.362 -8.585 295 HA3 GLY 61 1HA GLY 61 1.089 -7.885 -8.177 296 H PHE 62 H PHE 62 -2.086 -7.364 -6.641 297 HA PHE 62 HA PHE 62 -1.716 -9.986 -5.332 298 HD1 PHE 62 2HD PHE 62 -0.500 -9.641 -3.011 299 HD2 PHE 62 1HD PHE 62 -2.363 -5.878 -3.678 300 HE1 PHE 62 2HE PHE 62 1.351 -8.523 -1.845 301 HE2 PHE 62 1HE PHE 62 -0.524 -4.753 -2.515 302 HZ PHE 62 HZ PHE 62 1.344 -6.074 -1.594 303 HB2 PHE 62 2HB PHE 62 -3.467 -7.771 -4.256 304 HB3 PHE 62 1HB PHE 62 -3.061 -9.285 -3.470 305 H ASP 63 H ASP 63 -4.042 -10.759 -4.610 306 HA ASP 63 HA ASP 63 -6.084 -10.038 -6.579 307 HB2 ASP 63 2HB ASP 63 -4.937 -12.040 -7.492 308 HB3 ASP 63 1HB ASP 63 -5.300 -12.907 -6.002 309 H VAL 64 H VAL 64 -7.424 -9.124 -5.112 310 HA VAL 64 HA VAL 64 -7.877 -10.569 -2.578 311 HB VAL 64 HB VAL 64 -8.110 -8.372 -1.492 312 HG11 VAL 64 1HG1 VAL 64 -5.740 -7.751 -1.524 313 HG12 VAL 64 2HG1 VAL 64 -5.502 -8.741 -2.966 314 HG13 VAL 64 3HG1 VAL 64 -5.948 -9.499 -1.435 315 HG21 VAL 64 1HG2 VAL 64 -7.174 -7.261 -4.132 316 HG22 VAL 64 2HG2 VAL 64 -7.499 -6.346 -2.659 317 HG23 VAL 64 3HG2 VAL 64 -8.820 -7.152 -3.508 318 H LYS 65 H LYS 65 -9.384 -9.239 -5.317 319 HA LYS 65 HA LYS 65 -11.547 -8.884 -5.916 320 HB2 LYS 65 2HB LYS 65 -12.016 -10.480 -3.407 321 HB3 LYS 65 1HB LYS 65 -13.354 -9.801 -4.317 322 HG2 LYS 65 2HG LYS 65 -13.271 -11.910 -5.156 323 HG3 LYS 65 1HG LYS 65 -12.254 -11.069 -6.317 324 HD2 LYS 65 2HD LYS 65 -10.960 -12.278 -3.928 325 HD3 LYS 65 1HD LYS 65 -11.523 -13.360 -5.204 326 HE2 LYS 65 2HE LYS 65 -9.718 -10.990 -5.655 327 HE3 LYS 65 1HE LYS 65 -9.147 -12.642 -5.423 328 HZ1 LYS 65 1HZ LYS 65 -10.975 -11.781 -7.602 329 HZ2 LYS 65 2HZ LYS 65 -10.308 -13.324 -7.395 330 HZ3 LYS 65 3HZ LYS 65 -9.302 -12.013 -7.769 331 H LYS 66 H LYS 66 -13.797 -8.163 -4.546 332 HA LYS 66 HA LYS 66 -13.211 -5.462 -3.851 333 HB2 LYS 66 2HB LYS 66 -15.755 -7.076 -3.791 334 HB3 LYS 66 1HB LYS 66 -15.691 -5.375 -3.348 335 HG2 LYS 66 2HG LYS 66 -15.090 -4.724 -5.529 336 HG3 LYS 66 1HG LYS 66 -14.725 -6.384 -6.007 337 HD2 LYS 66 2HD LYS 66 -16.872 -5.593 -6.916 338 HD3 LYS 66 1HD LYS 66 -17.065 -6.979 -5.843 339 HE2 LYS 66 2HE LYS 66 -17.651 -5.402 -4.010 340 HE3 LYS 66 1HE LYS 66 -17.592 -4.084 -5.183 341 HZ1 LYS 66 1HZ LYS 66 -19.391 -5.028 -6.383 342 HZ2 LYS 66 2HZ LYS 66 -19.851 -4.993 -4.749 343 HZ3 LYS 66 3HZ LYS 66 -19.358 -6.451 -5.458 344 HA PRO 67 HA PRO 67 -14.924 -6.689 0.537 345 HB2 PRO 67 2HB PRO 67 -14.062 -9.510 0.781 346 HB3 PRO 67 1HB PRO 67 -15.577 -8.747 1.275 347 HG2 PRO 67 2HG PRO 67 -15.487 -10.353 -0.850 348 HG3 PRO 67 1HG PRO 67 -16.492 -8.889 -0.855 349 HD2 PRO 67 2HD PRO 67 -13.799 -9.347 -2.103 350 HD3 PRO 67 1HD PRO 67 -15.223 -8.517 -2.771 351 H GLU 68 H GLU 68 -11.995 -8.374 -0.565 352 HA GLU 68 HA GLU 68 -10.727 -7.834 1.982 353 HB2 GLU 68 2HB GLU 68 -10.419 -10.018 0.887 354 HB3 GLU 68 1HB GLU 68 -9.638 -9.223 -0.472 355 HG2 GLU 68 2HG GLU 68 -7.805 -8.543 0.896 356 HG3 GLU 68 1HG GLU 68 -8.618 -9.111 2.353 357 H ILE 69 H ILE 69 -10.967 -6.248 -1.057 358 HA ILE 69 HA ILE 69 -8.307 -5.209 -1.074 359 HB ILE 69 HB ILE 69 -9.751 -5.458 -3.116 360 HG12 ILE 69 2HG1 ILE 69 -8.627 -2.681 -2.798 361 HG13 ILE 69 1HG1 ILE 69 -7.616 -4.116 -2.959 362 HG21 ILE 69 1HG2 ILE 69 -11.797 -4.442 -2.276 363 HG22 ILE 69 2HG2 ILE 69 -11.231 -3.619 -3.728 364 HG23 ILE 69 3HG2 ILE 69 -10.981 -2.885 -2.144 365 HD11 ILE 69 1HD1 ILE 69 -9.633 -3.147 -4.967 366 HD12 ILE 69 2HD1 ILE 69 -8.627 -4.589 -5.125 367 HD13 ILE 69 3HD1 ILE 69 -7.881 -2.988 -5.084 368 H LEU 70 H LEU 70 -11.429 -3.817 -0.071 369 HA LEU 70 HA LEU 70 -10.132 -1.389 0.712 370 HG LEU 70 HG LEU 70 -14.332 -1.916 1.423 371 HB2 LEU 70 2HB LEU 70 -12.221 -0.589 1.488 372 HB3 LEU 70 1HB LEU 70 -12.518 -1.443 -0.003 373 HD11 LEU 70 1HD1 LEU 70 -12.467 -4.269 1.519 374 HD12 LEU 70 2HD1 LEU 70 -13.576 -3.849 0.210 375 HD13 LEU 70 3HD1 LEU 70 -14.212 -4.322 1.785 376 HD21 LEU 70 1HD2 LEU 70 -12.335 -2.626 3.566 377 HD22 LEU 70 2HD2 LEU 70 -14.083 -2.854 3.685 378 HD23 LEU 70 3HD2 LEU 70 -13.416 -1.226 3.544 379 H GLU 71 H GLU 71 -11.095 -4.380 2.316 380 HA GLU 71 HA GLU 71 -10.573 -3.400 4.942 381 HB2 GLU 71 2HB GLU 71 -11.997 -5.383 4.503 382 HB3 GLU 71 1HB GLU 71 -10.571 -6.261 3.967 383 HG2 GLU 71 2HG GLU 71 -11.208 -6.820 6.264 384 HG3 GLU 71 1HG GLU 71 -9.596 -6.110 6.164 385 H LEU 72 H LEU 72 -8.651 -4.768 2.399 386 HA LEU 72 HA LEU 72 -6.396 -5.524 3.778 387 HG LEU 72 HG LEU 72 -4.256 -5.542 2.364 388 HB2 LEU 72 2HB LEU 72 -6.704 -5.903 1.380 389 HB3 LEU 72 1HB LEU 72 -6.581 -4.184 1.080 390 HD11 LEU 72 1HD1 LEU 72 -4.934 -5.714 -0.570 391 HD12 LEU 72 2HD1 LEU 72 -4.860 -7.065 0.561 392 HD13 LEU 72 3HD1 LEU 72 -3.394 -6.170 0.156 393 HD21 LEU 72 1HD2 LEU 72 -4.232 -3.120 2.006 394 HD22 LEU 72 2HD2 LEU 72 -4.540 -3.367 0.287 395 HD23 LEU 72 3HD2 LEU 72 -3.024 -3.920 1.000 396 H MET 73 H MET 73 -7.335 -2.317 2.616 397 HA MET 73 HA MET 73 -4.961 -1.194 3.851 398 HB2 MET 73 2HB MET 73 -5.526 0.877 2.816 399 HB3 MET 73 1HB MET 73 -5.778 -0.379 1.618 400 HG2 MET 73 2HG MET 73 -7.622 0.932 1.315 401 HG3 MET 73 1HG MET 73 -8.239 -0.288 2.423 402 HE1 MET 73 1HE MET 73 -6.897 3.408 2.101 403 HE2 MET 73 2HE MET 73 -5.818 2.638 3.265 404 HE3 MET 73 3HE MET 73 -6.923 3.909 3.792 405 H ASN 74 H ASN 74 -8.259 -1.784 4.567 406 HA ASN 74 HA ASN 74 -8.608 0.356 6.421 407 HB2 ASN 74 2HB ASN 74 -10.457 -0.954 5.247 408 HB3 ASN 74 1HB ASN 74 -10.166 -2.225 6.432 409 HD21 ASN 74 1HD2 ASN 74 -9.821 1.155 7.090 410 HD22 ASN 74 2HD2 ASN 74 -11.171 1.298 8.170 411 H GLU 75 H GLU 75 -7.601 -3.027 6.707 412 HA GLU 75 HA GLU 75 -7.233 -2.998 9.485 413 HB2 GLU 75 2HB GLU 75 -5.717 -4.496 7.345 414 HB3 GLU 75 1HB GLU 75 -5.535 -4.787 9.070 415 HG2 GLU 75 2HG GLU 75 -7.975 -5.306 9.160 416 HG3 GLU 75 1HG GLU 75 -8.001 -5.197 7.402 417 H TYR 76 H TYR 76 -5.155 -1.822 6.863 418 HA TYR 76 HA TYR 76 -3.042 -1.237 8.801 419 HD1 TYR 76 2HD TYR 76 -1.816 -2.912 8.814 420 HD2 TYR 76 1HD TYR 76 -2.498 -3.033 4.615 421 HE1 TYR 76 2HE TYR 76 -1.236 -5.301 8.793 422 HE2 TYR 76 1HE TYR 76 -1.920 -5.421 4.584 423 HH TYR 76 HH TYR 76 -0.593 -7.010 5.926 424 HB2 TYR 76 2HB TYR 76 -3.029 -1.099 5.786 425 HB3 TYR 76 1HB TYR 76 -1.640 -0.765 6.815 426 H ASP 77 H ASP 77 -5.652 0.486 7.685 427 HA ASP 77 HA ASP 77 -4.256 2.944 7.049 428 HB2 ASP 77 2HB ASP 77 -6.289 3.814 6.315 429 HB3 ASP 77 1HB ASP 77 -6.443 2.102 5.954 430 H ARG 78 H ARG 78 -3.931 1.929 9.750 431 HA ARG 78 HA ARG 78 -3.882 2.622 11.893 432 HE ARG 78 HE ARG 78 -6.283 6.715 14.322 433 HB2 ARG 78 2HB ARG 78 -3.297 4.771 11.113 434 HB3 ARG 78 1HB ARG 78 -4.921 5.105 10.555 435 HG2 ARG 78 2HG ARG 78 -5.090 4.691 13.339 436 HG3 ARG 78 1HG ARG 78 -3.717 5.772 13.038 437 HD2 ARG 78 2HD ARG 78 -5.112 7.194 11.660 438 HD3 ARG 78 1HD ARG 78 -6.469 6.091 11.871 439 HH11 ARG 78 1HH1 ARG 78 -5.187 8.856 11.778 440 HH12 ARG 78 2HH1 ARG 78 -5.614 10.305 12.638 441 HH21 ARG 78 1HH2 ARG 78 -6.874 8.628 15.446 442 HH22 ARG 78 2HH2 ARG 78 -6.599 10.177 14.706 443 H GLU 79 H GLU 79 -6.258 1.426 10.429 444 HA GLU 79 HA GLU 79 -7.947 0.145 11.245 445 HB2 GLU 79 2HB GLU 79 -7.466 1.592 13.852 446 HB3 GLU 79 1HB GLU 79 -8.498 0.186 13.645 447 HG2 GLU 79 2HG GLU 79 -6.633 -1.201 13.122 448 HG3 GLU 79 1HG GLU 79 -5.556 0.194 13.035 449 H GLY 80 H GLY 80 -8.338 2.822 10.045 450 HA2 GLY 80 2HA GLY 80 -10.767 3.331 9.597 451 HA3 GLY 80 1HA GLY 80 -10.907 3.518 11.339 452 H ASN 81 H ASN 81 -8.845 4.704 8.697 453 HA ASN 81 HA ASN 81 -9.293 7.438 9.732 454 HB2 ASN 81 2HB ASN 81 -6.956 6.740 10.129 455 HB3 ASN 81 1HB ASN 81 -6.779 6.362 8.418 456 HD21 ASN 81 1HD2 ASN 81 -8.420 9.139 9.877 457 HD22 ASN 81 2HD2 ASN 81 -7.363 10.330 9.193 458 H GLY 82 H GLY 82 -8.865 5.287 7.019 459 HA2 GLY 82 2HA GLY 82 -10.217 5.689 5.024 460 HA3 GLY 82 1HA GLY 82 -9.881 7.407 5.224 461 H TYR 83 H TYR 83 -7.127 7.087 5.918 462 HA TYR 83 HA TYR 83 -6.028 6.068 3.384 463 HD1 TYR 83 1HD TYR 83 -7.712 9.090 4.605 464 HD2 TYR 83 2HD TYR 83 -4.864 8.956 1.447 465 HE1 TYR 83 1HE TYR 83 -9.131 10.596 3.264 466 HE2 TYR 83 2HE TYR 83 -6.272 10.453 0.105 467 HH TYR 83 HH TYR 83 -8.557 11.154 -0.079 468 HB2 TYR 83 2HB TYR 83 -5.013 8.508 4.842 469 HB3 TYR 83 1HB TYR 83 -4.381 7.841 3.360 470 H ILE 84 H ILE 84 -3.732 5.624 3.509 471 HA ILE 84 HA ILE 84 -2.950 4.520 6.120 472 HB ILE 84 HB ILE 84 -1.361 3.158 4.857 473 HG12 ILE 84 2HG1 ILE 84 -2.415 4.741 2.514 474 HG13 ILE 84 1HG1 ILE 84 -0.751 4.616 3.074 475 HG21 ILE 84 1HG2 ILE 84 -2.949 1.762 3.613 476 HG22 ILE 84 2HG2 ILE 84 -4.141 3.058 3.694 477 HG23 ILE 84 3HG2 ILE 84 -3.599 2.266 5.174 478 HD11 ILE 84 1HD1 ILE 84 -0.732 2.265 2.400 479 HD12 ILE 84 2HD1 ILE 84 -1.064 3.357 1.058 480 HD13 ILE 84 3HD1 ILE 84 -2.379 2.445 1.797 481 H GLY 85 H GLY 85 -0.598 4.667 6.628 482 HA2 GLY 85 2HA GLY 85 0.504 7.253 5.744 483 HA3 GLY 85 1HA GLY 85 0.953 6.402 7.220 484 H PHE 86 H PHE 86 2.935 7.294 5.506 485 HA PHE 86 HA PHE 86 3.726 5.454 3.545 486 HD1 PHE 86 1HD PHE 86 5.744 6.270 1.749 487 HD2 PHE 86 2HD PHE 86 7.367 6.385 5.680 488 HE1 PHE 86 1HE PHE 86 7.889 5.462 0.890 489 HE2 PHE 86 2HE PHE 86 9.506 5.588 4.828 490 HZ PHE 86 HZ PHE 86 9.737 4.934 2.501 491 HB2 PHE 86 2HB PHE 86 4.724 7.623 3.550 492 HB3 PHE 86 1HB PHE 86 5.290 7.434 5.209 493 H ASP 87 H ASP 87 4.294 5.615 7.002 494 HA ASP 87 HA ASP 87 6.249 3.621 7.240 495 HB2 ASP 87 2HB ASP 87 5.420 5.250 9.019 496 HB3 ASP 87 1HB ASP 87 4.070 4.146 9.264 497 H ASP 88 H ASP 88 2.750 3.451 7.048 498 HA ASP 88 HA ASP 88 2.620 0.617 7.534 499 HB2 ASP 88 2HB ASP 88 0.497 2.471 6.422 500 HB3 ASP 88 1HB ASP 88 0.237 0.842 7.033 501 H PHE 89 H PHE 89 2.699 2.761 4.778 502 HA PHE 89 HA PHE 89 1.899 1.007 2.745 503 HD1 PHE 89 2HD PHE 89 1.131 2.351 0.424 504 HD2 PHE 89 1HD PHE 89 5.306 2.892 0.978 505 HE1 PHE 89 2HE PHE 89 1.478 2.048 -1.976 506 HE2 PHE 89 1HE PHE 89 5.674 2.589 -1.431 507 HZ PHE 89 HZ PHE 89 3.843 2.182 -2.912 508 HB2 PHE 89 2HB PHE 89 2.075 3.432 2.434 509 HB3 PHE 89 1HB PHE 89 3.815 3.353 2.720 510 H LEU 90 H LEU 90 4.883 1.586 4.369 511 HA LEU 90 HA LEU 90 6.705 0.341 2.682 512 HG LEU 90 HG LEU 90 8.456 1.532 3.225 513 HB2 LEU 90 2HB LEU 90 6.661 1.619 5.132 514 HB3 LEU 90 1HB LEU 90 7.274 0.017 5.502 515 HD11 LEU 90 1HD1 LEU 90 9.158 1.915 6.128 516 HD12 LEU 90 2HD1 LEU 90 8.442 3.121 5.054 517 HD13 LEU 90 3HD1 LEU 90 10.076 2.532 4.753 518 HD21 LEU 90 1HD2 LEU 90 9.562 -0.423 5.239 519 HD22 LEU 90 2HD2 LEU 90 10.428 0.246 3.856 520 HD23 LEU 90 3HD2 LEU 90 9.044 -0.818 3.599 521 H ASP 91 H ASP 91 4.881 -0.974 5.424 522 HA ASP 91 HA ASP 91 6.036 -3.561 5.225 523 HB2 ASP 91 2HB ASP 91 3.871 -2.336 6.829 524 HB3 ASP 91 1HB ASP 91 3.805 -4.082 6.605 525 H ILE 92 H ILE 92 3.935 -2.041 3.223 526 HA ILE 92 HA ILE 92 2.502 -4.455 2.378 527 HB ILE 92 HB ILE 92 2.395 -1.664 1.253 528 HG12 ILE 92 2HG1 ILE 92 0.575 -3.010 3.226 529 HG13 ILE 92 1HG1 ILE 92 1.799 -1.823 3.655 530 HG21 ILE 92 1HG2 ILE 92 0.248 -2.418 0.308 531 HG22 ILE 92 2HG2 ILE 92 0.552 -4.033 0.950 532 HG23 ILE 92 3HG2 ILE 92 1.609 -3.365 -0.294 533 HD11 ILE 92 1HD1 ILE 92 0.618 -0.168 2.278 534 HD12 ILE 92 2HD1 ILE 92 -0.393 -0.807 3.574 535 HD13 ILE 92 3HD1 ILE 92 -0.620 -1.366 1.915 536 H MET 93 H MET 93 5.044 -2.302 1.425 537 HA MET 93 HA MET 93 5.506 -3.576 -1.096 538 HB2 MET 93 2HB MET 93 7.407 -1.904 0.558 539 HB3 MET 93 1HB MET 93 7.522 -2.242 -1.168 540 HG2 MET 93 2HG MET 93 4.964 -1.149 -0.715 541 HG3 MET 93 1HG MET 93 6.119 -0.151 0.168 542 HE1 MET 93 1HE MET 93 6.648 -1.034 -4.339 543 HE2 MET 93 2HE MET 93 5.379 -1.775 -3.366 544 HE3 MET 93 3HE MET 93 7.071 -2.170 -3.057 545 H THR 94 H THR 94 6.410 -4.017 2.208 546 HA THR 94 HA THR 94 8.135 -6.272 1.536 547 HB THR 94 HB THR 94 8.678 -6.372 3.878 548 HG1 THR 94 1HG THR 94 7.610 -4.966 5.371 549 HG21 THR 94 1HG2 THR 94 9.535 -4.103 4.271 550 HG22 THR 94 2HG2 THR 94 8.497 -3.497 2.979 551 HG23 THR 94 3HG2 THR 94 9.808 -4.619 2.606 552 H GLU 95 H GLU 95 4.872 -5.643 2.090 553 HA GLU 95 HA GLU 95 3.975 -7.571 3.820 554 HB2 GLU 95 2HB GLU 95 2.500 -5.911 2.896 555 HB3 GLU 95 1HB GLU 95 2.612 -6.645 1.300 556 HG2 GLU 95 2HG GLU 95 0.524 -7.238 2.374 557 HG3 GLU 95 1HG GLU 95 1.543 -8.668 2.206 558 H LYS 96 H LYS 96 4.221 -7.831 0.317 559 HA LYS 96 HA LYS 96 3.227 -10.460 0.416 560 HB2 LYS 96 2HB LYS 96 3.697 -10.383 -2.111 561 HB3 LYS 96 1HB LYS 96 2.508 -9.270 -1.451 562 HG2 LYS 96 2HG LYS 96 3.824 -8.051 -2.992 563 HG3 LYS 96 1HG LYS 96 4.317 -7.531 -1.378 564 HD2 LYS 96 2HD LYS 96 6.099 -9.445 -1.678 565 HD3 LYS 96 1HD LYS 96 5.792 -9.158 -3.391 566 HE2 LYS 96 2HE LYS 96 6.520 -7.007 -1.416 567 HE3 LYS 96 1HE LYS 96 7.686 -7.857 -2.422 568 HZ1 LYS 96 1HZ LYS 96 7.122 -5.805 -3.480 569 HZ2 LYS 96 2HZ LYS 96 5.462 -6.121 -3.345 570 HZ3 LYS 96 3HZ LYS 96 6.419 -7.054 -4.386 571 H ILE 97 H ILE 97 6.338 -9.349 0.956 572 HA ILE 97 HA ILE 97 7.514 -11.769 -0.187 573 HB ILE 97 HB ILE 97 9.728 -10.771 0.533 574 HG12 ILE 97 2HG1 ILE 97 9.507 -8.142 0.343 575 HG13 ILE 97 1HG1 ILE 97 7.929 -8.459 1.064 576 HG21 ILE 97 1HG2 ILE 97 8.104 -9.466 -1.634 577 HG22 ILE 97 2HG2 ILE 97 9.053 -10.947 -1.767 578 HG23 ILE 97 3HG2 ILE 97 9.862 -9.401 -1.504 579 HD11 ILE 97 1HD1 ILE 97 9.554 -7.938 2.767 580 HD12 ILE 97 2HD1 ILE 97 10.598 -9.246 2.206 581 HD13 ILE 97 3HD1 ILE 97 9.022 -9.614 2.914 582 H LYS 98 H LYS 98 7.354 -10.104 2.986 583 HA LYS 98 HA LYS 98 8.650 -12.382 4.220 584 HB2 LYS 98 2HB LYS 98 8.274 -11.090 6.374 585 HB3 LYS 98 1HB LYS 98 9.320 -10.336 5.184 586 HG2 LYS 98 2HG LYS 98 8.005 -8.602 6.012 587 HG3 LYS 98 1HG LYS 98 7.277 -9.011 4.460 588 HD2 LYS 98 2HD LYS 98 5.821 -10.610 6.002 589 HD3 LYS 98 1HD LYS 98 6.236 -9.389 7.210 590 HE2 LYS 98 2HE LYS 98 5.162 -8.697 4.509 591 HE3 LYS 98 1HE LYS 98 4.097 -9.033 5.878 592 HZ1 LYS 98 1HZ LYS 98 4.410 -6.681 5.708 593 HZ2 LYS 98 2HZ LYS 98 6.094 -6.841 5.664 594 HZ3 LYS 98 3HZ LYS 98 5.248 -7.208 7.084 595 H ASN 99 H ASN 99 5.476 -11.320 3.562 596 HA ASN 99 HA ASN 99 4.495 -13.704 4.984 597 HB2 ASN 99 2HB ASN 99 3.609 -11.347 5.707 598 HB3 ASN 99 1HB ASN 99 2.688 -11.420 4.211 599 HD21 ASN 99 1HD2 ASN 99 1.898 -14.038 4.105 600 HD22 ASN 99 2HD2 ASN 99 0.886 -14.404 5.462 601 H ARG 100 H ARG 100 5.795 -13.636 2.533 602 HA ARG 100 HA ARG 100 4.138 -13.548 0.292 603 HE ARG 100 HE ARG 100 6.465 -13.572 -2.940 604 HB2 ARG 100 2HB ARG 100 6.489 -13.569 -0.045 605 HB3 ARG 100 1HB ARG 100 6.683 -15.053 0.883 606 HG2 ARG 100 2HG ARG 100 5.784 -16.372 -0.839 607 HG3 ARG 100 1HG ARG 100 5.133 -14.968 -1.684 608 HD2 ARG 100 2HD ARG 100 8.077 -15.300 -1.227 609 HD3 ARG 100 1HD ARG 100 7.269 -16.050 -2.604 610 HH11 ARG 100 1HH1 ARG 100 9.634 -14.657 -1.919 611 HH12 ARG 100 2HH1 ARG 100 10.477 -13.379 -2.738 612 HH21 ARG 100 1HH2 ARG 100 7.545 -11.879 -3.984 613 HH22 ARG 100 2HH2 ARG 100 9.278 -11.772 -3.904 614 H ASP 101 H ASP 101 4.704 -15.962 2.720 615 HA ASP 101 HA ASP 101 2.653 -17.679 1.496 616 HB2 ASP 101 2HB ASP 101 4.926 -18.691 1.436 617 HB3 ASP 101 1HB ASP 101 4.992 -18.573 3.194 Start of MODEL 8 1 HA LEU 25 HA LEU 25 16.406 -4.373 2.779 2 HG LEU 25 HG LEU 25 14.233 -4.059 4.960 3 H1 LEU 25 1HT LEU 25 17.096 -3.278 5.445 4 H2 LEU 25 2HT LEU 25 17.821 -4.612 4.690 5 H3 LEU 25 3HT LEU 25 16.195 -4.690 5.162 6 HB2 LEU 25 2HB LEU 25 15.359 -1.961 4.269 7 HB3 LEU 25 1HB LEU 25 14.997 -2.342 2.596 8 HD11 LEU 25 1HD1 LEU 25 11.957 -3.285 4.515 9 HD12 LEU 25 2HD1 LEU 25 12.570 -2.200 3.269 10 HD13 LEU 25 3HD1 LEU 25 13.022 -1.949 4.954 11 HD21 LEU 25 1HD2 LEU 25 13.484 -4.243 2.041 12 HD22 LEU 25 2HD2 LEU 25 12.849 -5.257 3.337 13 HD23 LEU 25 3HD2 LEU 25 14.557 -5.343 2.907 14 H SER 26 H SER 26 17.648 -3.625 1.174 15 HA SER 26 HA SER 26 19.806 -1.844 1.613 16 HG SER 26 HG SER 26 20.654 -4.030 -0.681 17 HB2 SER 26 2HB SER 26 18.527 -2.608 -1.025 18 HB3 SER 26 1HB SER 26 20.161 -1.991 -0.785 19 H GLU 27 H GLU 27 20.086 0.224 0.325 20 HA GLU 27 HA GLU 27 17.849 1.924 0.927 21 HB2 GLU 27 2HB GLU 27 20.461 2.621 -0.424 22 HB3 GLU 27 1HB GLU 27 19.288 3.764 0.223 23 HG2 GLU 27 2HG GLU 27 19.629 2.527 2.451 24 HG3 GLU 27 1HG GLU 27 21.085 1.883 1.696 25 H GLU 28 H GLU 28 19.180 0.449 -1.936 26 HA GLU 28 HA GLU 28 17.633 1.806 -3.865 27 HB2 GLU 28 2HB GLU 28 17.893 -0.282 -5.214 28 HB3 GLU 28 1HB GLU 28 19.411 0.318 -4.560 29 HG2 GLU 28 2HG GLU 28 19.414 -1.353 -2.853 30 HG3 GLU 28 1HG GLU 28 17.789 -1.874 -3.291 31 H GLN 29 H GLN 29 16.943 -0.862 -1.708 32 HA GLN 29 HA GLN 29 14.380 -1.552 -2.613 33 HB2 GLN 29 2HB GLN 29 15.611 -1.626 0.149 34 HB3 GLN 29 1HB GLN 29 14.089 -2.393 -0.256 35 HG2 GLN 29 2HG GLN 29 16.782 -3.034 -1.442 36 HG3 GLN 29 1HG GLN 29 15.927 -3.990 -0.232 37 HE21 GLN 29 1HE2 GLN 29 16.853 -4.638 -2.964 38 HE22 GLN 29 2HE2 GLN 29 15.449 -5.208 -3.795 39 H LYS 30 H LYS 30 15.527 0.770 -0.265 40 HA LYS 30 HA LYS 30 13.004 1.668 0.624 41 HB2 LYS 30 2HB LYS 30 15.784 2.783 0.767 42 HB3 LYS 30 1HB LYS 30 14.402 3.609 1.476 43 HG2 LYS 30 2HG LYS 30 14.162 2.102 3.121 44 HG3 LYS 30 1HG LYS 30 14.783 0.764 2.157 45 HD2 LYS 30 2HD LYS 30 16.314 1.386 3.981 46 HD3 LYS 30 1HD LYS 30 17.038 1.608 2.386 47 HE2 LYS 30 2HE LYS 30 16.523 4.000 2.483 48 HE3 LYS 30 1HE LYS 30 15.783 3.784 4.066 49 HZ1 LYS 30 1HZ LYS 30 18.648 3.321 3.415 50 HZ2 LYS 30 2HZ LYS 30 17.941 3.108 4.936 51 HZ3 LYS 30 3HZ LYS 30 18.019 4.656 4.246 52 H GLN 31 H GLN 31 15.230 2.843 -1.861 53 HA GLN 31 HA GLN 31 14.022 5.356 -2.130 54 HB2 GLN 31 2HB GLN 31 15.281 5.595 -4.187 55 HB3 GLN 31 1HB GLN 31 16.290 4.834 -2.965 56 HG2 GLN 31 2HG GLN 31 15.900 2.663 -3.978 57 HG3 GLN 31 1HG GLN 31 14.863 3.411 -5.193 58 HE21 GLN 31 1HE2 GLN 31 15.786 4.635 -6.825 59 HE22 GLN 31 2HE2 GLN 31 17.481 4.588 -7.173 60 H GLU 32 H GLU 32 13.347 2.248 -3.578 61 HA GLU 32 HA GLU 32 11.443 3.171 -5.476 62 HB2 GLU 32 2HB GLU 32 11.724 0.449 -4.178 63 HB3 GLU 32 1HB GLU 32 10.727 0.809 -5.582 64 HG2 GLU 32 2HG GLU 32 13.724 1.028 -5.431 65 HG3 GLU 32 1HG GLU 32 12.808 -0.252 -6.226 66 H ILE 33 H ILE 33 11.298 2.100 -2.134 67 HA ILE 33 HA ILE 33 8.542 1.815 -1.858 68 HB ILE 33 HB ILE 33 10.590 2.611 0.206 69 HG12 ILE 33 2HG1 ILE 33 9.318 -0.037 -0.503 70 HG13 ILE 33 1HG1 ILE 33 10.989 0.428 -0.794 71 HG21 ILE 33 1HG2 ILE 33 8.369 3.290 0.937 72 HG22 ILE 33 2HG2 ILE 33 8.957 1.926 1.888 73 HG23 ILE 33 3HG2 ILE 33 7.758 1.666 0.620 74 HD11 ILE 33 1HD1 ILE 33 9.696 0.086 1.899 75 HD12 ILE 33 2HD1 ILE 33 11.376 0.548 1.610 76 HD13 ILE 33 3HD1 ILE 33 10.803 -1.048 1.120 77 H LYS 34 H LYS 34 10.537 4.695 -1.101 78 HA LYS 34 HA LYS 34 8.339 6.293 -0.272 79 HB2 LYS 34 2HB LYS 34 10.634 7.652 -1.567 80 HB3 LYS 34 1HB LYS 34 9.805 8.053 -0.082 81 HG2 LYS 34 2HG LYS 34 11.828 5.856 -0.441 82 HG3 LYS 34 1HG LYS 34 12.097 7.416 0.334 83 HD2 LYS 34 2HD LYS 34 10.909 6.857 2.193 84 HD3 LYS 34 1HD LYS 34 9.867 5.726 1.322 85 HE2 LYS 34 2HE LYS 34 11.207 4.303 2.552 86 HE3 LYS 34 1HE LYS 34 12.044 4.376 0.995 87 HZ1 LYS 34 1HZ LYS 34 13.511 4.618 2.976 88 HZ2 LYS 34 2HZ LYS 34 12.740 6.084 3.328 89 HZ3 LYS 34 3HZ LYS 34 13.614 5.912 1.881 90 H GLU 35 H GLU 35 9.681 5.464 -3.328 91 HA GLU 35 HA GLU 35 8.569 7.758 -4.669 92 HB2 GLU 35 2HB GLU 35 10.823 6.551 -5.088 93 HB3 GLU 35 1HB GLU 35 9.846 5.430 -6.041 94 HG2 GLU 35 2HG GLU 35 9.520 6.892 -7.708 95 HG3 GLU 35 1HG GLU 35 9.342 8.260 -6.613 96 H ALA 36 H ALA 36 7.950 4.268 -4.499 97 HA ALA 36 HA ALA 36 5.733 4.296 -6.279 98 HB1 ALA 36 1HB ALA 36 5.142 2.141 -5.257 99 HB2 ALA 36 2HB ALA 36 6.333 2.418 -3.986 100 HB3 ALA 36 3HB ALA 36 6.858 2.210 -5.656 101 H PHE 37 H PHE 37 6.137 4.735 -2.815 102 HA PHE 37 HA PHE 37 3.496 5.084 -2.031 103 HD1 PHE 37 1HD PHE 37 2.727 5.370 0.271 104 HD2 PHE 37 2HD PHE 37 5.985 8.099 0.297 105 HE1 PHE 37 1HE PHE 37 1.600 6.690 2.005 106 HE2 PHE 37 2HE PHE 37 4.873 9.426 2.028 107 HZ PHE 37 HZ PHE 37 2.667 8.728 2.891 108 HB2 PHE 37 2HB PHE 37 5.310 4.863 -0.452 109 HB3 PHE 37 1HB PHE 37 6.082 6.317 -1.066 110 H ASP 38 H ASP 38 5.861 7.434 -3.233 111 HA ASP 38 HA ASP 38 4.119 9.673 -3.230 112 HB2 ASP 38 2HB ASP 38 6.581 9.873 -3.312 113 HB3 ASP 38 1HB ASP 38 6.566 9.153 -4.925 114 H LEU 39 H LEU 39 5.029 7.312 -5.663 115 HA LEU 39 HA LEU 39 3.805 8.343 -7.921 116 HG LEU 39 HG LEU 39 4.292 4.890 -9.420 117 HB2 LEU 39 2HB LEU 39 5.294 6.418 -7.941 118 HB3 LEU 39 1HB LEU 39 4.146 5.483 -7.012 119 HD11 LEU 39 1HD1 LEU 39 2.370 4.239 -8.159 120 HD12 LEU 39 2HD1 LEU 39 1.930 4.642 -9.821 121 HD13 LEU 39 3HD1 LEU 39 1.601 5.784 -8.515 122 HD21 LEU 39 1HD2 LEU 39 2.965 7.551 -9.830 123 HD22 LEU 39 2HD2 LEU 39 3.175 6.310 -11.067 124 HD23 LEU 39 3HD2 LEU 39 4.586 7.104 -10.367 125 H PHE 40 H PHE 40 2.488 5.955 -5.647 126 HA PHE 40 HA PHE 40 0.090 5.769 -7.105 127 HD1 PHE 40 1HD PHE 40 -0.757 3.676 -7.573 128 HD2 PHE 40 2HD PHE 40 2.353 2.940 -4.772 129 HE1 PHE 40 1HE PHE 40 -0.087 1.687 -8.849 130 HE2 PHE 40 2HE PHE 40 3.033 0.948 -6.041 131 HZ PHE 40 HZ PHE 40 1.817 0.317 -8.085 132 HB2 PHE 40 2HB PHE 40 0.995 4.721 -4.454 133 HB3 PHE 40 1HB PHE 40 -0.675 4.505 -4.975 134 H ASP 41 H ASP 41 1.114 7.678 -4.376 135 HA ASP 41 HA ASP 41 -1.433 8.632 -3.580 136 HB2 ASP 41 2HB ASP 41 0.437 8.876 -2.073 137 HB3 ASP 41 1HB ASP 41 1.345 9.792 -3.267 138 H THR 42 H THR 42 -2.646 9.278 -5.253 139 HA THR 42 HA THR 42 -1.560 11.060 -7.275 140 HB THR 42 HB THR 42 -3.812 10.824 -8.326 141 HG1 THR 42 1HG THR 42 -4.260 9.272 -5.970 142 HG21 THR 42 1HG2 THR 42 -2.451 8.232 -7.581 143 HG22 THR 42 2HG2 THR 42 -2.023 9.280 -8.932 144 HG23 THR 42 3HG2 THR 42 -3.578 8.450 -8.921 145 H ASN 43 H ASN 43 -3.050 11.314 -4.292 146 HA ASN 43 HA ASN 43 -4.450 13.812 -4.836 147 HB2 ASN 43 2HB ASN 43 -5.364 12.077 -3.278 148 HB3 ASN 43 1HB ASN 43 -3.994 12.364 -2.216 149 HD21 ASN 43 1HD2 ASN 43 -5.792 14.816 -4.002 150 HD22 ASN 43 2HD2 ASN 43 -6.435 15.602 -2.601 151 H LYS 44 H LYS 44 -1.418 12.664 -3.778 152 HA LYS 44 HA LYS 44 0.531 13.652 -3.174 153 HB2 LYS 44 2HB LYS 44 -0.162 15.317 -4.991 154 HB3 LYS 44 1HB LYS 44 -0.741 16.343 -3.687 155 HG2 LYS 44 2HG LYS 44 1.695 15.981 -2.757 156 HG3 LYS 44 1HG LYS 44 2.045 15.631 -4.450 157 HD2 LYS 44 2HD LYS 44 2.437 17.970 -4.048 158 HD3 LYS 44 1HD LYS 44 0.996 17.806 -5.054 159 HE2 LYS 44 2HE LYS 44 -0.400 18.036 -3.046 160 HE3 LYS 44 1HE LYS 44 1.053 18.254 -2.074 161 HZ1 LYS 44 1HZ LYS 44 0.154 20.035 -4.274 162 HZ2 LYS 44 2HZ LYS 44 1.555 20.247 -3.345 163 HZ3 LYS 44 3HZ LYS 44 0.031 20.364 -2.616 164 H THR 45 H THR 45 -1.597 13.083 -1.337 165 HA THR 45 HA THR 45 -1.468 15.247 0.625 166 HB THR 45 HB THR 45 -3.674 14.243 0.099 167 HG1 THR 45 1HG THR 45 -2.574 14.451 2.610 168 HG21 THR 45 1HG2 THR 45 -2.517 11.757 1.368 169 HG22 THR 45 2HG2 THR 45 -2.978 11.947 -0.326 170 HG23 THR 45 3HG2 THR 45 -4.210 11.995 0.936 171 H GLY 46 H GLY 46 0.229 12.494 -0.171 172 HA2 GLY 46 2HA GLY 46 2.034 11.532 0.909 173 HA3 GLY 46 1HA GLY 46 1.724 12.576 2.289 174 H SER 47 H SER 47 -0.812 10.632 0.997 175 HA SER 47 HA SER 47 -0.440 8.423 2.795 176 HG SER 47 HG SER 47 -0.253 10.276 4.296 177 HB2 SER 47 2HB SER 47 -2.740 10.339 3.271 178 HB3 SER 47 1HB SER 47 -2.475 8.811 4.109 179 H ILE 48 H ILE 48 -1.965 6.713 2.346 180 HA ILE 48 HA ILE 48 -3.168 7.050 -0.314 181 HB ILE 48 HB ILE 48 -2.306 4.515 1.093 182 HG12 ILE 48 2HG1 ILE 48 -0.386 5.791 0.356 183 HG13 ILE 48 1HG1 ILE 48 -0.610 4.411 -0.716 184 HG21 ILE 48 1HG2 ILE 48 -4.217 4.088 -0.339 185 HG22 ILE 48 2HG2 ILE 48 -2.756 3.390 -1.040 186 HG23 ILE 48 3HG2 ILE 48 -3.412 4.895 -1.684 187 HD11 ILE 48 1HD1 ILE 48 -1.641 5.858 -2.378 188 HD12 ILE 48 2HD1 ILE 48 -0.018 6.407 -1.959 189 HD13 ILE 48 3HD1 ILE 48 -1.427 7.244 -1.308 190 H ASP 49 H ASP 49 -5.242 6.533 -0.731 191 HA ASP 49 HA ASP 49 -7.012 6.025 1.566 192 HB2 ASP 49 2HB ASP 49 -7.501 8.048 0.283 193 HB3 ASP 49 1HB ASP 49 -7.552 7.124 -1.211 194 H TYR 50 H TYR 50 -8.926 4.553 1.085 195 HA TYR 50 HA TYR 50 -7.915 2.063 0.186 196 HD1 TYR 50 2HD TYR 50 -10.941 4.625 1.600 197 HD2 TYR 50 1HD TYR 50 -11.932 1.029 -0.439 198 HE1 TYR 50 2HE TYR 50 -13.167 5.535 1.080 199 HE2 TYR 50 1HE TYR 50 -14.157 1.925 -0.960 200 HH TYR 50 HH TYR 50 -15.717 3.689 0.113 201 HB2 TYR 50 2HB TYR 50 -9.980 1.116 0.827 202 HB3 TYR 50 1HB TYR 50 -9.691 2.425 1.965 203 H HIS 51 H HIS 51 -9.858 4.538 -1.346 204 HA HIS 51 HA HIS 51 -10.601 2.948 -3.622 205 HD1 HIS 51 1HD HIS 51 -13.509 4.585 -4.747 206 HD2 HIS 51 2HD HIS 51 -9.864 6.009 -6.154 207 HE1 HIS 51 1HE HIS 51 -13.862 5.065 -7.194 208 HE2 HIS 51 2HE HIS 51 -11.715 6.146 -7.952 209 HB2 HIS 51 2HB HIS 51 -11.870 4.960 -2.918 210 HB3 HIS 51 1HB HIS 51 -10.472 5.962 -3.293 211 H GLU 52 H GLU 52 -7.959 4.949 -2.676 212 HA GLU 52 HA GLU 52 -6.730 5.105 -5.270 213 HB2 GLU 52 2HB GLU 52 -6.486 6.928 -3.713 214 HB3 GLU 52 1HB GLU 52 -5.842 5.853 -2.486 215 HG2 GLU 52 2HG GLU 52 -3.788 5.666 -3.559 216 HG3 GLU 52 1HG GLU 52 -4.421 6.278 -5.086 217 H LEU 53 H LEU 53 -6.511 3.134 -2.416 218 HA LEU 53 HA LEU 53 -4.111 1.786 -2.870 219 HG LEU 53 HG LEU 53 -5.036 -1.075 -2.034 220 HB2 LEU 53 2HB LEU 53 -5.415 1.648 -0.789 221 HB3 LEU 53 1HB LEU 53 -6.666 0.755 -1.628 222 HD11 LEU 53 1HD1 LEU 53 -3.274 0.525 -0.186 223 HD12 LEU 53 2HD1 LEU 53 -2.984 0.245 -1.903 224 HD13 LEU 53 3HD1 LEU 53 -2.956 -1.108 -0.772 225 HD21 LEU 53 1HD2 LEU 53 -6.598 -1.178 -0.172 226 HD22 LEU 53 2HD2 LEU 53 -5.463 -0.296 0.848 227 HD23 LEU 53 3HD2 LEU 53 -5.054 -1.909 0.264 228 H LYS 54 H LYS 54 -7.171 1.533 -4.454 229 HA LYS 54 HA LYS 54 -7.075 -1.120 -5.330 230 HB2 LYS 54 2HB LYS 54 -8.393 1.273 -6.617 231 HB3 LYS 54 1HB LYS 54 -8.708 -0.404 -7.043 232 HG2 LYS 54 2HG LYS 54 -9.522 -0.837 -4.781 233 HG3 LYS 54 1HG LYS 54 -9.197 0.843 -4.348 234 HD2 LYS 54 2HD LYS 54 -11.535 0.641 -4.831 235 HD3 LYS 54 1HD LYS 54 -10.779 1.553 -6.137 236 HE2 LYS 54 2HE LYS 54 -12.341 -0.044 -7.058 237 HE3 LYS 54 1HE LYS 54 -10.693 -0.504 -7.489 238 HZ1 LYS 54 1HZ LYS 54 -12.160 -1.663 -5.187 239 HZ2 LYS 54 2HZ LYS 54 -10.705 -2.210 -5.873 240 HZ3 LYS 54 3HZ LYS 54 -12.155 -2.362 -6.733 241 H VAL 55 H VAL 55 -5.695 1.816 -6.770 242 HA VAL 55 HA VAL 55 -4.894 0.428 -9.159 243 HB VAL 55 HB VAL 55 -3.692 2.441 -9.787 244 HG11 VAL 55 1HG1 VAL 55 -6.391 3.066 -8.598 245 HG12 VAL 55 2HG1 VAL 55 -6.087 2.383 -10.194 246 HG13 VAL 55 3HG1 VAL 55 -5.563 4.026 -9.825 247 HG21 VAL 55 1HG2 VAL 55 -4.379 3.492 -7.048 248 HG22 VAL 55 2HG2 VAL 55 -3.633 4.418 -8.352 249 HG23 VAL 55 3HG2 VAL 55 -2.770 3.062 -7.627 250 H ALA 56 H ALA 56 -3.503 1.151 -6.054 251 HA ALA 56 HA ALA 56 -0.819 0.467 -6.684 252 HB1 ALA 56 1HB ALA 56 -0.525 0.277 -4.245 253 HB2 ALA 56 2HB ALA 56 -2.270 0.414 -4.037 254 HB3 ALA 56 3HB ALA 56 -1.353 1.767 -4.702 255 H MET 57 H MET 57 -3.474 -1.314 -5.157 256 HA MET 57 HA MET 57 -2.192 -3.766 -4.815 257 HB2 MET 57 2HB MET 57 -5.114 -3.263 -5.415 258 HB3 MET 57 1HB MET 57 -4.447 -4.735 -4.721 259 HG2 MET 57 2HG MET 57 -4.203 -2.034 -3.428 260 HG3 MET 57 1HG MET 57 -5.518 -3.157 -3.103 261 HE1 MET 57 1HE MET 57 -4.441 -5.947 -2.885 262 HE2 MET 57 2HE MET 57 -5.416 -5.159 -1.644 263 HE3 MET 57 3HE MET 57 -3.946 -6.022 -1.192 264 H ARG 58 H ARG 58 -3.864 -2.427 -7.607 265 HA ARG 58 HA ARG 58 -3.801 -4.727 -9.229 266 HE ARG 58 HE ARG 58 -6.490 -3.126 -11.795 267 HB2 ARG 58 2HB ARG 58 -5.224 -2.931 -9.881 268 HB3 ARG 58 1HB ARG 58 -3.892 -1.783 -9.876 269 HG2 ARG 58 2HG ARG 58 -2.903 -2.913 -11.798 270 HG3 ARG 58 1HG ARG 58 -4.240 -4.066 -11.807 271 HD2 ARG 58 2HD ARG 58 -4.590 -1.089 -12.095 272 HD3 ARG 58 1HD ARG 58 -4.434 -2.193 -13.460 273 HH11 ARG 58 1HH1 ARG 58 -5.775 -0.441 -13.940 274 HH12 ARG 58 2HH1 ARG 58 -7.443 -0.152 -14.347 275 HH21 ARG 58 1HH2 ARG 58 -8.683 -2.772 -12.350 276 HH22 ARG 58 2HH2 ARG 58 -9.097 -1.503 -13.466 277 H ALA 59 H ALA 59 -1.587 -1.933 -9.099 278 HA ALA 59 HA ALA 59 0.164 -2.912 -11.086 279 HB1 ALA 59 1HB ALA 59 0.748 -0.926 -8.898 280 HB2 ALA 59 2HB ALA 59 0.032 -0.552 -10.463 281 HB3 ALA 59 3HB ALA 59 1.684 -1.161 -10.375 282 H LEU 60 H LEU 60 0.198 -3.206 -7.563 283 HA LEU 60 HA LEU 60 2.741 -4.473 -7.380 284 HG LEU 60 HG LEU 60 1.171 -2.341 -5.812 285 HB2 LEU 60 2HB LEU 60 0.362 -4.711 -5.539 286 HB3 LEU 60 1HB LEU 60 2.011 -5.159 -5.150 287 HD11 LEU 60 1HD1 LEU 60 -0.024 -3.117 -3.857 288 HD12 LEU 60 2HD1 LEU 60 1.224 -1.956 -3.395 289 HD13 LEU 60 3HD1 LEU 60 1.481 -3.683 -3.134 290 HD21 LEU 60 1HD2 LEU 60 3.295 -1.752 -4.766 291 HD22 LEU 60 2HD2 LEU 60 3.550 -2.844 -6.128 292 HD23 LEU 60 3HD2 LEU 60 3.641 -3.457 -4.478 293 H GLY 61 H GLY 61 -0.573 -5.631 -7.691 294 HA2 GLY 61 2HA GLY 61 -0.999 -7.545 -9.059 295 HA3 GLY 61 1HA GLY 61 0.519 -8.233 -8.513 296 H PHE 62 H PHE 62 -2.419 -6.943 -6.950 297 HA PHE 62 HA PHE 62 -2.600 -9.488 -5.468 298 HD1 PHE 62 2HD PHE 62 -1.646 -9.600 -3.137 299 HD2 PHE 62 1HD PHE 62 -1.765 -5.442 -4.021 300 HE1 PHE 62 2HE PHE 62 0.470 -9.284 -1.922 301 HE2 PHE 62 1HE PHE 62 0.341 -5.117 -2.808 302 HZ PHE 62 HZ PHE 62 1.468 -7.038 -1.754 303 HB2 PHE 62 2HB PHE 62 -3.535 -6.745 -4.609 304 HB3 PHE 62 1HB PHE 62 -3.827 -8.233 -3.718 305 H ASP 63 H ASP 63 -4.679 -10.380 -5.173 306 HA ASP 63 HA ASP 63 -6.769 -9.211 -6.892 307 HB2 ASP 63 2HB ASP 63 -5.902 -11.324 -7.827 308 HB3 ASP 63 1HB ASP 63 -6.294 -12.148 -6.321 309 H VAL 64 H VAL 64 -7.537 -8.025 -5.109 310 HA VAL 64 HA VAL 64 -8.784 -9.652 -2.998 311 HB VAL 64 HB VAL 64 -8.731 -7.559 -1.606 312 HG11 VAL 64 1HG1 VAL 64 -6.355 -7.774 -1.034 313 HG12 VAL 64 2HG1 VAL 64 -6.078 -8.663 -2.530 314 HG13 VAL 64 3HG1 VAL 64 -7.113 -9.347 -1.276 315 HG21 VAL 64 1HG2 VAL 64 -6.907 -6.612 -3.814 316 HG22 VAL 64 2HG2 VAL 64 -7.167 -5.797 -2.271 317 HG23 VAL 64 3HG2 VAL 64 -8.495 -5.953 -3.422 318 H LYS 65 H LYS 65 -9.384 -7.520 -5.586 319 HA LYS 65 HA LYS 65 -11.264 -6.603 -6.458 320 HB2 LYS 65 2HB LYS 65 -12.571 -8.679 -4.692 321 HB3 LYS 65 1HB LYS 65 -13.410 -7.761 -5.937 322 HG2 LYS 65 2HG LYS 65 -12.712 -9.134 -7.533 323 HG3 LYS 65 1HG LYS 65 -11.037 -9.024 -6.993 324 HD2 LYS 65 2HD LYS 65 -13.124 -10.774 -5.698 325 HD3 LYS 65 1HD LYS 65 -11.982 -11.333 -6.926 326 HE2 LYS 65 2HE LYS 65 -10.126 -10.918 -5.514 327 HE3 LYS 65 1HE LYS 65 -11.106 -10.009 -4.364 328 HZ1 LYS 65 1HZ LYS 65 -10.779 -12.890 -4.678 329 HZ2 LYS 65 2HZ LYS 65 -12.342 -12.362 -4.304 330 HZ3 LYS 65 3HZ LYS 65 -11.053 -11.972 -3.272 331 H LYS 66 H LYS 66 -13.838 -6.147 -5.245 332 HA LYS 66 HA LYS 66 -13.128 -3.703 -3.955 333 HB2 LYS 66 2HB LYS 66 -15.029 -3.800 -5.471 334 HB3 LYS 66 1HB LYS 66 -15.847 -4.930 -4.400 335 HG2 LYS 66 2HG LYS 66 -15.972 -3.226 -2.666 336 HG3 LYS 66 1HG LYS 66 -15.111 -2.091 -3.709 337 HD2 LYS 66 2HD LYS 66 -17.495 -1.652 -3.779 338 HD3 LYS 66 1HD LYS 66 -16.939 -2.239 -5.348 339 HE2 LYS 66 2HE LYS 66 -17.732 -4.495 -4.755 340 HE3 LYS 66 1HE LYS 66 -18.340 -3.861 -3.225 341 HZ1 LYS 66 1HZ LYS 66 -20.070 -4.041 -4.928 342 HZ2 LYS 66 2HZ LYS 66 -19.220 -2.952 -5.910 343 HZ3 LYS 66 3HZ LYS 66 -19.848 -2.438 -4.421 344 HA PRO 67 HA PRO 67 -15.616 -5.436 -0.145 345 HB2 PRO 67 2HB PRO 67 -15.530 -8.181 0.151 346 HB3 PRO 67 1HB PRO 67 -16.895 -7.276 -0.513 347 HG2 PRO 67 2HG PRO 67 -14.703 -8.726 -1.940 348 HG3 PRO 67 1HG PRO 67 -16.434 -8.654 -2.321 349 HD2 PRO 67 2HD PRO 67 -14.654 -7.199 -3.686 350 HD3 PRO 67 1HD PRO 67 -16.261 -6.552 -3.292 351 H GLU 68 H GLU 68 -12.790 -7.286 -1.233 352 HA GLU 68 HA GLU 68 -11.853 -7.526 1.499 353 HB2 GLU 68 2HB GLU 68 -10.578 -8.433 -1.090 354 HB3 GLU 68 1HB GLU 68 -9.986 -8.811 0.524 355 HG2 GLU 68 2HG GLU 68 -12.070 -10.013 0.993 356 HG3 GLU 68 1HG GLU 68 -12.634 -9.652 -0.637 357 H ILE 69 H ILE 69 -11.570 -5.239 -1.008 358 HA ILE 69 HA ILE 69 -8.843 -4.518 -0.350 359 HB ILE 69 HB ILE 69 -9.981 -4.431 -2.691 360 HG12 ILE 69 2HG1 ILE 69 -8.312 -2.038 -2.000 361 HG13 ILE 69 1HG1 ILE 69 -7.640 -3.665 -1.913 362 HG21 ILE 69 1HG2 ILE 69 -10.781 -2.208 -3.321 363 HG22 ILE 69 2HG2 ILE 69 -10.668 -1.693 -1.638 364 HG23 ILE 69 3HG2 ILE 69 -11.813 -2.951 -2.101 365 HD11 ILE 69 1HD1 ILE 69 -8.855 -2.383 -4.348 366 HD12 ILE 69 2HD1 ILE 69 -8.208 -4.023 -4.260 367 HD13 ILE 69 3HD1 ILE 69 -7.134 -2.635 -4.046 368 H LEU 70 H LEU 70 -12.074 -3.148 0.215 369 HA LEU 70 HA LEU 70 -10.887 -0.848 1.477 370 HG LEU 70 HG LEU 70 -15.160 -1.207 1.360 371 HB2 LEU 70 2HB LEU 70 -13.042 -0.001 1.860 372 HB3 LEU 70 1HB LEU 70 -13.101 -0.761 0.291 373 HD11 LEU 70 1HD1 LEU 70 -14.260 -3.088 0.144 374 HD12 LEU 70 2HD1 LEU 70 -15.209 -3.632 1.529 375 HD13 LEU 70 3HD1 LEU 70 -13.444 -3.660 1.601 376 HD21 LEU 70 1HD2 LEU 70 -15.355 -2.281 3.554 377 HD22 LEU 70 2HD2 LEU 70 -14.546 -0.716 3.653 378 HD23 LEU 70 3HD2 LEU 70 -13.599 -2.206 3.737 379 H GLU 71 H GLU 71 -12.205 -3.935 2.483 380 HA GLU 71 HA GLU 71 -12.118 -3.341 5.272 381 HB2 GLU 71 2HB GLU 71 -13.270 -5.325 3.881 382 HB3 GLU 71 1HB GLU 71 -11.785 -6.145 4.336 383 HG2 GLU 71 2HG GLU 71 -13.628 -4.807 6.302 384 HG3 GLU 71 1HG GLU 71 -13.718 -6.512 5.875 385 H LEU 72 H LEU 72 -9.856 -4.454 2.868 386 HA LEU 72 HA LEU 72 -7.803 -5.265 4.564 387 HG LEU 72 HG LEU 72 -5.612 -5.584 3.463 388 HB2 LEU 72 2HB LEU 72 -7.854 -5.554 2.075 389 HB3 LEU 72 1HB LEU 72 -7.496 -3.849 1.916 390 HD11 LEU 72 1HD1 LEU 72 -4.425 -6.136 1.419 391 HD12 LEU 72 2HD1 LEU 72 -5.665 -5.330 0.460 392 HD13 LEU 72 3HD1 LEU 72 -6.062 -6.789 1.369 393 HD21 LEU 72 1HD2 LEU 72 -3.975 -3.998 2.615 394 HD22 LEU 72 2HD2 LEU 72 -5.298 -3.142 3.408 395 HD23 LEU 72 3HD2 LEU 72 -5.218 -3.206 1.646 396 H MET 73 H MET 73 -8.977 -2.148 3.631 397 HA MET 73 HA MET 73 -6.765 -0.716 4.800 398 HB2 MET 73 2HB MET 73 -9.241 -0.007 3.356 399 HB3 MET 73 1HB MET 73 -8.709 1.157 4.563 400 HG2 MET 73 2HG MET 73 -6.944 0.089 2.384 401 HG3 MET 73 1HG MET 73 -7.883 1.572 2.250 402 HE1 MET 73 1HE MET 73 -7.548 3.651 3.917 403 HE2 MET 73 2HE MET 73 -6.308 3.694 5.170 404 HE3 MET 73 3HE MET 73 -7.661 2.571 5.308 405 H ASN 74 H ASN 74 -10.102 -1.498 5.629 406 HA ASN 74 HA ASN 74 -10.219 -0.076 8.037 407 HB2 ASN 74 2HB ASN 74 -12.247 -0.883 7.092 408 HB3 ASN 74 1HB ASN 74 -11.659 -2.540 7.065 409 HD21 ASN 74 1HD2 ASN 74 -11.833 -3.779 8.801 410 HD22 ASN 74 2HD2 ASN 74 -12.627 -3.297 10.273 411 H GLU 75 H GLU 75 -9.243 -3.444 7.394 412 HA GLU 75 HA GLU 75 -8.398 -4.204 9.917 413 HB2 GLU 75 2HB GLU 75 -7.554 -4.870 7.140 414 HB3 GLU 75 1HB GLU 75 -6.514 -5.397 8.453 415 HG2 GLU 75 2HG GLU 75 -9.446 -6.021 8.297 416 HG3 GLU 75 1HG GLU 75 -8.180 -7.074 7.666 417 H TYR 76 H TYR 76 -6.610 -2.254 7.537 418 HA TYR 76 HA TYR 76 -4.231 -2.369 9.233 419 HD1 TYR 76 1HD TYR 76 -5.366 -4.215 7.305 420 HD2 TYR 76 2HD TYR 76 -1.592 -2.615 6.178 421 HE1 TYR 76 1HE TYR 76 -4.592 -6.472 6.721 422 HE2 TYR 76 2HE TYR 76 -0.806 -4.868 5.589 423 HH TYR 76 HH TYR 76 -2.991 -7.636 5.587 424 HB2 TYR 76 2HB TYR 76 -4.681 -1.531 6.376 425 HB3 TYR 76 1HB TYR 76 -3.167 -1.217 7.209 426 H ASP 77 H ASP 77 -6.750 -0.149 8.534 427 HA ASP 77 HA ASP 77 -5.157 2.217 8.681 428 HB2 ASP 77 2HB ASP 77 -6.993 3.327 8.017 429 HB3 ASP 77 1HB ASP 77 -7.591 1.716 7.648 430 H ARG 78 H ARG 78 -6.291 3.985 10.317 431 HA ARG 78 HA ARG 78 -5.153 3.161 12.809 432 HE ARG 78 HE ARG 78 -6.489 6.548 10.359 433 HB2 ARG 78 2HB ARG 78 -6.448 5.760 11.990 434 HB3 ARG 78 1HB ARG 78 -5.626 5.487 13.512 435 HG2 ARG 78 2HG ARG 78 -3.984 6.530 12.314 436 HG3 ARG 78 1HG ARG 78 -3.612 4.839 11.978 437 HD2 ARG 78 2HD ARG 78 -3.563 6.324 9.975 438 HD3 ARG 78 1HD ARG 78 -4.667 4.957 9.838 439 HH11 ARG 78 1HH1 ARG 78 -3.432 7.810 9.197 440 HH12 ARG 78 2HH1 ARG 78 -4.139 9.245 8.512 441 HH21 ARG 78 1HH2 ARG 78 -7.412 8.450 9.496 442 HH22 ARG 78 2HH2 ARG 78 -6.392 9.626 8.723 443 H GLU 79 H GLU 79 -8.431 3.878 11.639 444 HA GLU 79 HA GLU 79 -9.717 2.662 13.833 445 HB2 GLU 79 2HB GLU 79 -10.592 4.670 14.990 446 HB3 GLU 79 1HB GLU 79 -8.851 4.488 15.153 447 HG2 GLU 79 2HG GLU 79 -8.555 6.143 13.331 448 HG3 GLU 79 1HG GLU 79 -10.302 6.382 13.318 449 H GLY 80 H GLY 80 -9.848 4.768 11.059 450 HA2 GLY 80 2HA GLY 80 -12.583 3.997 10.529 451 HA3 GLY 80 1HA GLY 80 -12.408 5.690 10.965 452 H ASN 81 H ASN 81 -10.513 3.463 9.007 453 HA ASN 81 HA ASN 81 -9.715 3.489 6.920 454 HB2 ASN 81 2HB ASN 81 -12.116 3.696 6.276 455 HB3 ASN 81 1HB ASN 81 -11.920 5.444 6.250 456 HD21 ASN 81 1HD2 ASN 81 -10.857 6.408 4.557 457 HD22 ASN 81 2HD2 ASN 81 -10.361 5.552 3.142 458 H GLY 82 H GLY 82 -10.817 6.825 6.610 459 HA2 GLY 82 2HA GLY 82 -9.610 8.712 6.124 460 HA3 GLY 82 1HA GLY 82 -8.509 8.168 7.382 461 H TYR 83 H TYR 83 -6.555 7.483 6.836 462 HA TYR 83 HA TYR 83 -5.996 6.426 4.204 463 HD1 TYR 83 2HD TYR 83 -5.826 8.269 1.907 464 HD2 TYR 83 1HD TYR 83 -5.690 10.576 5.478 465 HE1 TYR 83 2HE TYR 83 -7.212 9.998 0.837 466 HE2 TYR 83 1HE TYR 83 -7.081 12.303 4.423 467 HH TYR 83 HH TYR 83 -8.817 11.802 1.611 468 HB2 TYR 83 2HB TYR 83 -4.275 8.676 5.234 469 HB3 TYR 83 1HB TYR 83 -4.140 7.842 3.707 470 H ILE 84 H ILE 84 -3.728 5.604 4.143 471 HA ILE 84 HA ILE 84 -2.831 4.763 6.813 472 HB ILE 84 HB ILE 84 -1.337 3.191 5.518 473 HG12 ILE 84 2HG1 ILE 84 -3.082 4.158 3.245 474 HG13 ILE 84 1HG1 ILE 84 -1.332 4.292 3.376 475 HG21 ILE 84 1HG2 ILE 84 -4.317 2.883 5.219 476 HG22 ILE 84 2HG2 ILE 84 -3.346 2.417 6.615 477 HG23 ILE 84 3HG2 ILE 84 -3.136 1.582 5.075 478 HD11 ILE 84 1HD1 ILE 84 -2.897 1.749 3.118 479 HD12 ILE 84 2HD1 ILE 84 -1.141 1.880 3.226 480 HD13 ILE 84 3HD1 ILE 84 -1.992 2.552 1.834 481 H GLY 85 H GLY 85 -0.494 4.771 7.205 482 HA2 GLY 85 2HA GLY 85 0.711 7.168 6.007 483 HA3 GLY 85 1HA GLY 85 1.114 6.506 7.586 484 H PHE 86 H PHE 86 3.110 7.132 5.837 485 HA PHE 86 HA PHE 86 3.908 5.128 4.071 486 HD1 PHE 86 1HD PHE 86 6.165 5.645 2.353 487 HD2 PHE 86 2HD PHE 86 7.392 6.277 6.377 488 HE1 PHE 86 1HE PHE 86 8.318 4.603 1.861 489 HE2 PHE 86 2HE PHE 86 9.558 5.247 5.883 490 HZ PHE 86 HZ PHE 86 10.030 4.402 3.618 491 HB2 PHE 86 2HB PHE 86 4.988 7.221 3.886 492 HB3 PHE 86 1HB PHE 86 5.413 7.248 5.595 493 H ASP 87 H ASP 87 4.322 5.489 7.525 494 HA ASP 87 HA ASP 87 6.321 3.603 7.977 495 HB2 ASP 87 2HB ASP 87 5.503 3.512 10.282 496 HB3 ASP 87 1HB ASP 87 5.549 5.171 9.697 497 H ASP 88 H ASP 88 2.840 3.175 7.576 498 HA ASP 88 HA ASP 88 3.012 0.349 8.216 499 HB2 ASP 88 2HB ASP 88 1.004 1.933 8.693 500 HB3 ASP 88 1HB ASP 88 0.604 1.681 6.995 501 H PHE 89 H PHE 89 3.060 2.427 5.471 502 HA PHE 89 HA PHE 89 2.254 0.656 3.438 503 HD1 PHE 89 2HD PHE 89 1.545 1.697 1.066 504 HD2 PHE 89 1HD PHE 89 5.570 2.890 1.725 505 HE1 PHE 89 2HE PHE 89 2.025 1.376 -1.318 506 HE2 PHE 89 1HE PHE 89 6.066 2.571 -0.646 507 HZ PHE 89 HZ PHE 89 4.290 1.815 -2.191 508 HB2 PHE 89 2HB PHE 89 2.338 3.064 3.095 509 HB3 PHE 89 1HB PHE 89 4.069 3.078 3.420 510 H LEU 90 H LEU 90 5.282 1.370 4.978 511 HA LEU 90 HA LEU 90 7.074 0.142 3.245 512 HG LEU 90 HG LEU 90 8.844 1.402 3.770 513 HB2 LEU 90 2HB LEU 90 7.127 1.432 5.685 514 HB3 LEU 90 1HB LEU 90 7.727 -0.173 6.057 515 HD11 LEU 90 1HD1 LEU 90 9.052 2.800 5.750 516 HD12 LEU 90 2HD1 LEU 90 10.623 2.170 5.254 517 HD13 LEU 90 3HD1 LEU 90 9.783 1.458 6.633 518 HD21 LEU 90 1HD2 LEU 90 9.341 -0.980 3.844 519 HD22 LEU 90 2HD2 LEU 90 9.939 -0.816 5.496 520 HD23 LEU 90 3HD2 LEU 90 10.792 -0.031 4.168 521 H ASP 91 H ASP 91 5.297 -1.138 6.007 522 HA ASP 91 HA ASP 91 6.494 -3.702 5.915 523 HB2 ASP 91 2HB ASP 91 4.235 -2.474 7.397 524 HB3 ASP 91 1HB ASP 91 4.305 -4.232 7.301 525 H ILE 92 H ILE 92 4.410 -2.321 3.808 526 HA ILE 92 HA ILE 92 2.942 -4.771 3.097 527 HB ILE 92 HB ILE 92 2.873 -2.039 1.830 528 HG12 ILE 92 2HG1 ILE 92 2.389 -2.244 4.328 529 HG13 ILE 92 1HG1 ILE 92 1.195 -1.417 3.322 530 HG21 ILE 92 1HG2 ILE 92 1.976 -3.837 0.436 531 HG22 ILE 92 2HG2 ILE 92 0.691 -2.757 0.979 532 HG23 ILE 92 3HG2 ILE 92 0.909 -4.328 1.752 533 HD11 ILE 92 1HD1 ILE 92 -0.115 -3.505 3.260 534 HD12 ILE 92 2HD1 ILE 92 0.096 -2.864 4.890 535 HD13 ILE 92 3HD1 ILE 92 1.065 -4.233 4.347 536 H MET 93 H MET 93 5.104 -2.373 1.663 537 HA MET 93 HA MET 93 5.648 -3.830 -0.677 538 HB2 MET 93 2HB MET 93 7.264 -1.781 0.826 539 HB3 MET 93 1HB MET 93 7.757 -2.447 -0.729 540 HG2 MET 93 2HG MET 93 5.394 -1.682 -1.492 541 HG3 MET 93 1HG MET 93 5.477 -0.644 -0.070 542 HE1 MET 93 1HE MET 93 8.406 -1.815 -2.414 543 HE2 MET 93 2HE MET 93 8.514 -0.465 -3.543 544 HE3 MET 93 3HE MET 93 7.094 -1.514 -3.556 545 H THR 94 H THR 94 6.683 -4.103 2.598 546 HA THR 94 HA THR 94 8.595 -6.195 1.879 547 HB THR 94 HB THR 94 9.127 -6.298 4.264 548 HG1 THR 94 1HG THR 94 8.100 -4.816 5.691 549 HG21 THR 94 1HG2 THR 94 10.045 -4.023 4.521 550 HG22 THR 94 2HG2 THR 94 9.033 -3.482 3.181 551 HG23 THR 94 3HG2 THR 94 10.311 -4.665 2.900 552 H GLU 95 H GLU 95 5.321 -5.804 2.967 553 HA GLU 95 HA GLU 95 4.878 -7.982 4.547 554 HB2 GLU 95 2HB GLU 95 3.156 -6.282 4.077 555 HB3 GLU 95 1HB GLU 95 2.927 -6.989 2.478 556 HG2 GLU 95 2HG GLU 95 2.081 -9.000 3.386 557 HG3 GLU 95 1HG GLU 95 2.597 -8.569 5.012 558 H LYS 96 H LYS 96 4.542 -7.849 1.038 559 HA LYS 96 HA LYS 96 3.797 -10.601 1.007 560 HB2 LYS 96 2HB LYS 96 3.635 -10.164 -1.521 561 HB3 LYS 96 1HB LYS 96 2.503 -9.352 -0.450 562 HG2 LYS 96 2HG LYS 96 3.259 -7.786 -2.085 563 HG3 LYS 96 1HG LYS 96 3.964 -7.341 -0.530 564 HD2 LYS 96 2HD LYS 96 5.991 -8.723 -1.293 565 HD3 LYS 96 1HD LYS 96 5.278 -8.619 -2.903 566 HE2 LYS 96 2HE LYS 96 5.921 -6.258 -1.152 567 HE3 LYS 96 1HE LYS 96 6.976 -6.877 -2.425 568 HZ1 LYS 96 1HZ LYS 96 5.780 -5.134 -3.415 569 HZ2 LYS 96 2HZ LYS 96 4.313 -5.618 -2.722 570 HZ3 LYS 96 3HZ LYS 96 5.002 -6.537 -3.965 571 H ILE 97 H ILE 97 6.810 -9.155 1.004 572 HA ILE 97 HA ILE 97 7.905 -11.136 -0.847 573 HB ILE 97 HB ILE 97 10.116 -9.913 -0.463 574 HG12 ILE 97 2HG1 ILE 97 9.577 -7.383 -0.105 575 HG13 ILE 97 1HG1 ILE 97 8.202 -8.003 0.805 576 HG21 ILE 97 1HG2 ILE 97 7.842 -8.624 -1.948 577 HG22 ILE 97 2HG2 ILE 97 8.933 -9.873 -2.551 578 HG23 ILE 97 3HG2 ILE 97 9.548 -8.258 -2.196 579 HD11 ILE 97 1HD1 ILE 97 11.105 -8.577 1.333 580 HD12 ILE 97 2HD1 ILE 97 9.746 -9.301 2.199 581 HD13 ILE 97 3HD1 ILE 97 10.030 -7.559 2.296 582 H LYS 98 H LYS 98 8.413 -10.102 2.544 583 HA LYS 98 HA LYS 98 10.216 -12.320 2.954 584 HB2 LYS 98 2HB LYS 98 10.086 -11.532 5.402 585 HB3 LYS 98 1HB LYS 98 10.856 -10.478 4.229 586 HG2 LYS 98 2HG LYS 98 9.523 -9.140 5.661 587 HG3 LYS 98 1HG LYS 98 8.738 -9.190 4.084 588 HD2 LYS 98 2HD LYS 98 7.313 -11.074 5.028 589 HD3 LYS 98 1HD LYS 98 7.948 -10.613 6.609 590 HE2 LYS 98 2HE LYS 98 6.646 -8.658 4.740 591 HE3 LYS 98 1HE LYS 98 5.726 -9.596 5.921 592 HZ1 LYS 98 1HZ LYS 98 7.043 -8.606 7.693 593 HZ2 LYS 98 2HZ LYS 98 6.291 -7.402 6.773 594 HZ3 LYS 98 3HZ LYS 98 7.946 -7.719 6.563 595 H ASN 99 H ASN 99 6.901 -11.781 3.083 596 HA ASN 99 HA ASN 99 6.536 -14.434 4.302 597 HB2 ASN 99 2HB ASN 99 5.487 -12.381 5.482 598 HB3 ASN 99 1HB ASN 99 4.375 -12.333 4.119 599 HD21 ASN 99 1HD2 ASN 99 2.809 -13.923 3.922 600 HD22 ASN 99 2HD2 ASN 99 2.438 -15.028 5.200 601 H ARG 100 H ARG 100 7.321 -13.793 1.648 602 HA ARG 100 HA ARG 100 5.123 -13.797 -0.123 603 HE ARG 100 HE ARG 100 10.310 -16.483 -1.511 604 HB2 ARG 100 2HB ARG 100 6.677 -14.107 -1.881 605 HB3 ARG 100 1HB ARG 100 7.487 -13.103 -0.693 606 HG2 ARG 100 2HG ARG 100 8.695 -15.089 0.126 607 HG3 ARG 100 1HG ARG 100 7.914 -16.053 -1.131 608 HD2 ARG 100 2HD ARG 100 8.860 -14.360 -2.783 609 HD3 ARG 100 1HD ARG 100 9.868 -13.796 -1.453 610 HH11 ARG 100 1HH1 ARG 100 10.621 -13.848 -3.801 611 HH12 ARG 100 2HH1 ARG 100 11.793 -14.677 -4.784 612 HH21 ARG 100 1HH2 ARG 100 11.844 -17.570 -2.810 613 HH22 ARG 100 2HH2 ARG 100 12.494 -16.781 -4.222 614 H ASP 101 H ASP 101 6.866 -16.205 1.604 615 HA ASP 101 HA ASP 101 5.181 -18.320 0.453 616 HB2 ASP 101 2HB ASP 101 7.567 -18.486 -0.287 617 HB3 ASP 101 1HB ASP 101 8.040 -18.638 1.402 Start of MODEL 9 1 HA LEU 25 HA LEU 25 16.062 -3.900 4.500 2 HG LEU 25 HG LEU 25 14.632 -2.316 2.360 3 H1 LEU 25 1HT LEU 25 16.512 -1.600 6.309 4 H2 LEU 25 2HT LEU 25 17.408 -3.041 6.255 5 H3 LEU 25 3HT LEU 25 15.791 -3.068 6.761 6 HB2 LEU 25 2HB LEU 25 13.981 -2.731 5.280 7 HB3 LEU 25 1HB LEU 25 14.621 -1.244 4.607 8 HD11 LEU 25 1HD1 LEU 25 14.752 -4.641 3.036 9 HD12 LEU 25 2HD1 LEU 25 13.322 -4.363 2.042 10 HD13 LEU 25 3HD1 LEU 25 13.162 -4.526 3.790 11 HD21 LEU 25 1HD2 LEU 25 12.225 -2.155 2.024 12 HD22 LEU 25 2HD2 LEU 25 12.804 -0.862 3.074 13 HD23 LEU 25 3HD2 LEU 25 11.964 -2.250 3.764 14 H SER 26 H SER 26 16.475 -3.347 2.254 15 HA SER 26 HA SER 26 18.774 -1.697 1.886 16 HG SER 26 HG SER 26 18.632 -4.341 1.272 17 HB2 SER 26 2HB SER 26 17.089 -2.625 -0.406 18 HB3 SER 26 1HB SER 26 18.848 -2.596 -0.250 19 H GLU 27 H GLU 27 18.906 0.317 0.889 20 HA GLU 27 HA GLU 27 16.566 1.964 1.082 21 HB2 GLU 27 2HB GLU 27 19.312 2.590 -0.011 22 HB3 GLU 27 1HB GLU 27 18.048 3.773 0.303 23 HG2 GLU 27 2HG GLU 27 19.223 1.987 2.401 24 HG3 GLU 27 1HG GLU 27 19.799 3.616 2.065 25 H GLU 28 H GLU 28 18.244 0.290 -1.486 26 HA GLU 28 HA GLU 28 17.038 1.566 -3.688 27 HB2 GLU 28 2HB GLU 28 17.469 -0.513 -4.928 28 HB3 GLU 28 1HB GLU 28 18.865 -0.036 -3.975 29 HG2 GLU 28 2HG GLU 28 18.458 -1.725 -2.368 30 HG3 GLU 28 1HG GLU 28 16.868 -2.075 -3.044 31 H GLN 29 H GLN 29 15.946 -0.987 -1.545 32 HA GLN 29 HA GLN 29 13.484 -1.579 -2.756 33 HB2 GLN 29 2HB GLN 29 14.483 -1.696 0.085 34 HB3 GLN 29 1HB GLN 29 12.828 -2.123 -0.306 35 HG2 GLN 29 2HG GLN 29 15.318 -3.434 -1.379 36 HG3 GLN 29 1HG GLN 29 14.229 -4.095 -0.162 37 HE21 GLN 29 1HE2 GLN 29 11.839 -3.136 -1.543 38 HE22 GLN 29 2HE2 GLN 29 11.623 -4.174 -2.909 39 H LYS 30 H LYS 30 14.433 0.740 -0.302 40 HA LYS 30 HA LYS 30 11.897 1.800 0.196 41 HB2 LYS 30 2HB LYS 30 14.697 2.653 0.737 42 HB3 LYS 30 1HB LYS 30 13.391 3.813 0.997 43 HG2 LYS 30 2HG LYS 30 12.461 2.609 2.643 44 HG3 LYS 30 1HG LYS 30 13.090 1.075 2.081 45 HD2 LYS 30 2HD LYS 30 14.326 1.425 3.981 46 HD3 LYS 30 1HD LYS 30 15.376 2.137 2.753 47 HE2 LYS 30 2HE LYS 30 14.596 4.351 3.285 48 HE3 LYS 30 1HE LYS 30 13.380 3.703 4.384 49 HZ1 LYS 30 1HZ LYS 30 16.310 3.407 4.753 50 HZ2 LYS 30 2HZ LYS 30 15.098 2.946 5.848 51 HZ3 LYS 30 3HZ LYS 30 15.361 4.585 5.519 52 H GLN 31 H GLN 31 14.377 2.749 -2.129 53 HA GLN 31 HA GLN 31 13.249 5.147 -2.939 54 HB2 GLN 31 2HB GLN 31 14.788 3.099 -4.537 55 HB3 GLN 31 1HB GLN 31 14.356 4.683 -5.164 56 HG2 GLN 31 2HG GLN 31 15.631 5.716 -3.321 57 HG3 GLN 31 1HG GLN 31 16.122 4.104 -2.800 58 HE21 GLN 31 1HE2 GLN 31 16.404 6.527 -5.284 59 HE22 GLN 31 2HE2 GLN 31 17.820 5.870 -6.042 60 H GLU 32 H GLU 32 12.659 1.870 -4.137 61 HA GLU 32 HA GLU 32 10.748 2.439 -6.093 62 HB2 GLU 32 2HB GLU 32 10.963 0.018 -4.284 63 HB3 GLU 32 1HB GLU 32 9.994 0.103 -5.749 64 HG2 GLU 32 2HG GLU 32 12.980 0.436 -5.655 65 HG3 GLU 32 1HG GLU 32 12.144 -1.068 -6.041 66 H ILE 33 H ILE 33 10.472 2.027 -2.629 67 HA ILE 33 HA ILE 33 7.671 1.786 -2.502 68 HB ILE 33 HB ILE 33 9.539 2.765 -0.336 69 HG12 ILE 33 2HG1 ILE 33 8.597 -0.032 -1.010 70 HG13 ILE 33 1HG1 ILE 33 10.220 0.590 -1.289 71 HG21 ILE 33 1HG2 ILE 33 7.821 1.944 1.195 72 HG22 ILE 33 2HG2 ILE 33 6.808 1.490 -0.174 73 HG23 ILE 33 3HG2 ILE 33 7.171 3.189 0.128 74 HD11 ILE 33 1HD1 ILE 33 10.502 0.879 1.126 75 HD12 ILE 33 2HD1 ILE 33 10.167 -0.793 0.682 76 HD13 ILE 33 3HD1 ILE 33 8.893 0.207 1.381 77 H LYS 34 H LYS 34 9.789 4.663 -2.001 78 HA LYS 34 HA LYS 34 7.570 6.441 -1.633 79 HB2 LYS 34 2HB LYS 34 9.792 7.820 -2.860 80 HB3 LYS 34 1HB LYS 34 9.075 8.066 -1.286 81 HG2 LYS 34 2HG LYS 34 11.060 5.881 -1.776 82 HG3 LYS 34 1HG LYS 34 11.551 7.531 -1.419 83 HD2 LYS 34 2HD LYS 34 10.446 7.493 0.677 84 HD3 LYS 34 1HD LYS 34 9.675 5.943 0.310 85 HE2 LYS 34 2HE LYS 34 11.486 5.393 1.684 86 HE3 LYS 34 1HE LYS 34 12.025 5.036 0.036 87 HZ1 LYS 34 1HZ LYS 34 13.725 6.215 1.330 88 HZ2 LYS 34 2HZ LYS 34 12.669 7.526 1.535 89 HZ3 LYS 34 3HZ LYS 34 13.218 7.114 -0.014 90 H GLU 35 H GLU 35 9.320 5.217 -4.347 91 HA GLU 35 HA GLU 35 8.604 7.178 -6.220 92 HB2 GLU 35 2HB GLU 35 10.447 5.404 -6.308 93 HB3 GLU 35 1HB GLU 35 9.190 4.308 -6.882 94 HG2 GLU 35 2HG GLU 35 8.800 5.586 -8.828 95 HG3 GLU 35 1HG GLU 35 9.756 6.936 -8.220 96 H ALA 36 H ALA 36 7.137 4.046 -5.395 97 HA ALA 36 HA ALA 36 4.905 4.447 -7.151 98 HB1 ALA 36 1HB ALA 36 3.904 2.538 -5.989 99 HB2 ALA 36 2HB ALA 36 5.213 2.574 -4.806 100 HB3 ALA 36 3HB ALA 36 5.560 2.198 -6.494 101 H PHE 37 H PHE 37 5.542 4.883 -3.715 102 HA PHE 37 HA PHE 37 3.136 5.661 -2.681 103 HD1 PHE 37 1HD PHE 37 2.964 5.336 -0.368 104 HD2 PHE 37 2HD PHE 37 5.582 8.681 -0.565 105 HE1 PHE 37 1HE PHE 37 1.881 6.286 1.611 106 HE2 PHE 37 2HE PHE 37 4.513 9.637 1.430 107 HZ PHE 37 HZ PHE 37 2.776 8.409 2.604 108 HB2 PHE 37 2HB PHE 37 5.406 5.421 -1.549 109 HB3 PHE 37 1HB PHE 37 5.765 7.041 -2.123 110 H ASP 38 H ASP 38 5.421 7.617 -4.520 111 HA ASP 38 HA ASP 38 3.808 10.003 -4.420 112 HB2 ASP 38 2HB ASP 38 6.270 10.096 -4.559 113 HB3 ASP 38 1HB ASP 38 6.199 9.302 -6.131 114 H LEU 39 H LEU 39 4.484 7.429 -6.701 115 HA LEU 39 HA LEU 39 3.496 8.541 -9.039 116 HG LEU 39 HG LEU 39 3.808 5.215 -10.656 117 HB2 LEU 39 2HB LEU 39 4.807 6.562 -9.121 118 HB3 LEU 39 1HB LEU 39 3.701 5.698 -8.083 119 HD11 LEU 39 1HD1 LEU 39 1.510 4.432 -10.611 120 HD12 LEU 39 2HD1 LEU 39 1.241 5.374 -9.144 121 HD13 LEU 39 3HD1 LEU 39 2.389 4.037 -9.133 122 HD21 LEU 39 1HD2 LEU 39 1.826 7.456 -10.566 123 HD22 LEU 39 2HD2 LEU 39 2.097 6.368 -11.928 124 HD23 LEU 39 3HD2 LEU 39 3.373 7.473 -11.414 125 H PHE 40 H PHE 40 1.701 6.219 -6.943 126 HA PHE 40 HA PHE 40 -0.492 6.665 -8.733 127 HD1 PHE 40 1HD PHE 40 -1.409 5.520 -4.924 128 HD2 PHE 40 2HD PHE 40 1.450 3.303 -7.141 129 HE1 PHE 40 1HE PHE 40 -0.506 4.632 -2.841 130 HE2 PHE 40 2HE PHE 40 2.379 2.408 -5.066 131 HZ PHE 40 HZ PHE 40 1.408 3.068 -2.888 132 HB2 PHE 40 2HB PHE 40 -1.663 4.883 -7.397 133 HB3 PHE 40 1HB PHE 40 -0.198 4.407 -8.245 134 H ASP 41 H ASP 41 0.545 8.139 -5.985 135 HA ASP 41 HA ASP 41 -1.788 8.711 -4.545 136 HB2 ASP 41 2HB ASP 41 0.545 9.329 -3.845 137 HB3 ASP 41 1HB ASP 41 0.533 10.592 -5.068 138 H THR 42 H THR 42 -3.590 9.677 -5.186 139 HA THR 42 HA THR 42 -3.664 10.803 -7.852 140 HB THR 42 HB THR 42 -6.102 10.733 -7.611 141 HG1 THR 42 1HG THR 42 -5.933 9.408 -5.140 142 HG21 THR 42 1HG2 THR 42 -4.732 8.207 -6.675 143 HG22 THR 42 2HG2 THR 42 -4.955 8.711 -8.350 144 HG23 THR 42 3HG2 THR 42 -6.356 8.298 -7.362 145 H ASN 43 H ASN 43 -3.620 11.947 -4.615 146 HA ASN 43 HA ASN 43 -4.701 14.542 -5.498 147 HB2 ASN 43 2HB ASN 43 -5.324 14.979 -3.183 148 HB3 ASN 43 1HB ASN 43 -6.031 13.460 -3.723 149 HD21 ASN 43 1HD2 ASN 43 -5.246 11.515 -2.877 150 HD22 ASN 43 2HD2 ASN 43 -4.281 11.468 -1.447 151 H LYS 44 H LYS 44 -1.971 12.887 -4.315 152 HA LYS 44 HA LYS 44 0.200 13.495 -4.121 153 HB2 LYS 44 2HB LYS 44 -0.238 14.858 -6.154 154 HB3 LYS 44 1HB LYS 44 -0.661 16.213 -5.121 155 HG2 LYS 44 2HG LYS 44 1.660 16.022 -4.137 156 HG3 LYS 44 1HG LYS 44 2.023 14.913 -5.461 157 HD2 LYS 44 2HD LYS 44 2.740 17.102 -6.111 158 HD3 LYS 44 1HD LYS 44 1.302 16.701 -7.053 159 HE2 LYS 44 2HE LYS 44 1.042 18.945 -6.318 160 HE3 LYS 44 1HE LYS 44 -0.044 17.952 -5.345 161 HZ1 LYS 44 1HZ LYS 44 1.697 17.943 -3.599 162 HZ2 LYS 44 2HZ LYS 44 1.066 19.485 -3.921 163 HZ3 LYS 44 3HZ LYS 44 2.590 19.049 -4.525 164 H THR 45 H THR 45 -0.079 13.233 -1.857 165 HA THR 45 HA THR 45 0.553 15.711 -0.452 166 HB THR 45 HB THR 45 -1.934 15.368 -0.243 167 HG1 THR 45 1HG THR 45 -0.496 15.149 2.226 168 HG21 THR 45 1HG2 THR 45 -1.988 12.937 -0.136 169 HG22 THR 45 2HG2 THR 45 -2.710 13.625 1.318 170 HG23 THR 45 3HG2 THR 45 -1.077 12.963 1.373 171 H GLY 46 H GLY 46 0.911 12.354 -0.900 172 HA2 GLY 46 2HA GLY 46 2.571 10.982 -0.010 173 HA3 GLY 46 1HA GLY 46 2.966 12.251 1.143 174 H SER 47 H SER 47 -0.221 10.893 0.588 175 HA SER 47 HA SER 47 -0.045 9.195 2.929 176 HG SER 47 HG SER 47 0.392 11.333 3.824 177 HB2 SER 47 2HB SER 47 -2.062 11.453 2.770 178 HB3 SER 47 1HB SER 47 -2.032 10.193 4.004 179 H ILE 48 H ILE 48 -1.359 7.426 2.718 180 HA ILE 48 HA ILE 48 -2.726 7.299 0.121 181 HB ILE 48 HB ILE 48 -1.499 5.080 1.757 182 HG12 ILE 48 2HG1 ILE 48 0.206 6.434 0.729 183 HG13 ILE 48 1HG1 ILE 48 0.071 4.930 -0.176 184 HG21 ILE 48 1HG2 ILE 48 -1.955 3.635 -0.175 185 HG22 ILE 48 2HG2 ILE 48 -2.845 4.952 -0.937 186 HG23 ILE 48 3HG2 ILE 48 -3.433 4.244 0.567 187 HD11 ILE 48 1HD1 ILE 48 -1.240 6.083 -1.883 188 HD12 ILE 48 2HD1 ILE 48 0.345 6.824 -1.659 189 HD13 ILE 48 3HD1 ILE 48 -1.091 7.587 -0.975 190 H ASP 49 H ASP 49 -4.790 6.969 0.002 191 HA ASP 49 HA ASP 49 -6.318 6.032 2.335 192 HB2 ASP 49 2HB ASP 49 -7.042 8.169 1.348 193 HB3 ASP 49 1HB ASP 49 -7.180 7.413 -0.232 194 H TYR 50 H TYR 50 -8.171 4.493 1.720 195 HA TYR 50 HA TYR 50 -7.203 2.213 0.425 196 HD1 TYR 50 1HD TYR 50 -11.233 2.936 -0.806 197 HD2 TYR 50 2HD TYR 50 -9.873 3.837 3.128 198 HE1 TYR 50 1HE TYR 50 -13.092 4.518 -0.532 199 HE2 TYR 50 2HE TYR 50 -11.733 5.421 3.410 200 HH TYR 50 HH TYR 50 -13.204 6.812 1.901 201 HB2 TYR 50 2HB TYR 50 -9.623 1.479 0.368 202 HB3 TYR 50 1HB TYR 50 -9.005 1.930 1.952 203 H HIS 51 H HIS 51 -8.751 5.043 -0.810 204 HA HIS 51 HA HIS 51 -9.449 4.178 -3.391 205 HD1 HIS 51 1HD HIS 51 -7.560 7.865 -4.556 206 HD2 HIS 51 2HD HIS 51 -11.340 6.186 -5.027 207 HE1 HIS 51 1HE HIS 51 -8.358 8.600 -6.827 208 HE2 HIS 51 2HE HIS 51 -10.523 7.369 -7.177 209 HB2 HIS 51 2HB HIS 51 -10.161 6.321 -2.444 210 HB3 HIS 51 1HB HIS 51 -8.492 6.886 -2.426 211 H GLU 52 H GLU 52 -6.401 5.388 -2.063 212 HA GLU 52 HA GLU 52 -5.005 5.241 -4.573 213 HB2 GLU 52 2HB GLU 52 -4.190 5.795 -1.739 214 HB3 GLU 52 1HB GLU 52 -2.971 5.492 -2.966 215 HG2 GLU 52 2HG GLU 52 -3.391 7.882 -2.560 216 HG3 GLU 52 1HG GLU 52 -3.685 7.396 -4.228 217 H LEU 53 H LEU 53 -5.643 3.102 -1.932 218 HA LEU 53 HA LEU 53 -3.498 1.318 -2.273 219 HG LEU 53 HG LEU 53 -4.811 -1.313 -1.784 220 HB2 LEU 53 2HB LEU 53 -5.013 1.313 -0.316 221 HB3 LEU 53 1HB LEU 53 -6.294 0.679 -1.333 222 HD11 LEU 53 1HD1 LEU 53 -3.249 -0.141 0.510 223 HD12 LEU 53 2HD1 LEU 53 -2.684 -0.328 -1.150 224 HD13 LEU 53 3HD1 LEU 53 -3.027 -1.755 -0.168 225 HD21 LEU 53 1HD2 LEU 53 -5.343 -2.381 0.351 226 HD22 LEU 53 2HD2 LEU 53 -6.691 -1.415 -0.254 227 HD23 LEU 53 3HD2 LEU 53 -5.679 -0.797 1.052 228 H LYS 54 H LYS 54 -6.574 1.633 -3.921 229 HA LYS 54 HA LYS 54 -6.607 -0.933 -5.092 230 HB2 LYS 54 2HB LYS 54 -7.995 1.601 -5.964 231 HB3 LYS 54 1HB LYS 54 -8.388 -0.019 -6.529 232 HG2 LYS 54 2HG LYS 54 -8.973 -0.682 -4.254 233 HG3 LYS 54 1HG LYS 54 -8.565 0.934 -3.679 234 HD2 LYS 54 2HD LYS 54 -10.942 0.808 -3.908 235 HD3 LYS 54 1HD LYS 54 -10.320 1.851 -5.186 236 HE2 LYS 54 2HE LYS 54 -10.560 0.108 -6.815 237 HE3 LYS 54 1HE LYS 54 -10.955 -1.074 -5.566 238 HZ1 LYS 54 1HZ LYS 54 -12.933 -0.310 -6.725 239 HZ2 LYS 54 2HZ LYS 54 -12.600 1.295 -6.284 240 HZ3 LYS 54 3HZ LYS 54 -12.978 0.152 -5.092 241 H VAL 55 H VAL 55 -4.953 1.981 -5.998 242 HA VAL 55 HA VAL 55 -4.261 0.843 -8.597 243 HB VAL 55 HB VAL 55 -2.945 2.996 -8.885 244 HG11 VAL 55 1HG1 VAL 55 -5.913 3.186 -8.447 245 HG12 VAL 55 2HG1 VAL 55 -5.105 2.660 -9.923 246 HG13 VAL 55 3HG1 VAL 55 -4.937 4.326 -9.369 247 HG21 VAL 55 1HG2 VAL 55 -2.761 3.606 -6.526 248 HG22 VAL 55 2HG2 VAL 55 -4.512 3.806 -6.439 249 HG23 VAL 55 3HG2 VAL 55 -3.550 4.877 -7.458 250 H ALA 56 H ALA 56 -3.019 1.371 -5.429 251 HA ALA 56 HA ALA 56 -0.273 0.912 -5.973 252 HB1 ALA 56 1HB ALA 56 -1.827 0.542 -3.419 253 HB2 ALA 56 2HB ALA 56 -1.038 2.028 -3.954 254 HB3 ALA 56 3HB ALA 56 -0.070 0.603 -3.562 255 H MET 57 H MET 57 -2.965 -1.171 -5.035 256 HA MET 57 HA MET 57 -1.496 -3.555 -4.749 257 HB2 MET 57 2HB MET 57 -4.374 -3.218 -5.623 258 HB3 MET 57 1HB MET 57 -3.653 -4.699 -5.007 259 HG2 MET 57 2HG MET 57 -3.810 -2.144 -3.436 260 HG3 MET 57 1HG MET 57 -5.022 -3.416 -3.365 261 HE1 MET 57 1HE MET 57 -3.460 -6.225 -1.418 262 HE2 MET 57 2HE MET 57 -3.764 -6.134 -3.154 263 HE3 MET 57 3HE MET 57 -4.925 -5.440 -2.019 264 H ARG 58 H ARG 58 -2.713 -1.859 -7.536 265 HA ARG 58 HA ARG 58 -2.232 -3.936 -9.422 266 HE ARG 58 HE ARG 58 -6.481 -2.480 -11.436 267 HB2 ARG 58 2HB ARG 58 -2.657 -0.978 -9.618 268 HB3 ARG 58 1HB ARG 58 -2.099 -1.875 -11.023 269 HG2 ARG 58 2HG ARG 58 -4.089 -3.333 -10.828 270 HG3 ARG 58 1HG ARG 58 -4.657 -2.317 -9.500 271 HD2 ARG 58 2HD ARG 58 -4.917 -0.445 -10.903 272 HD3 ARG 58 1HD ARG 58 -3.978 -1.184 -12.199 273 HH11 ARG 58 1HH1 ARG 58 -4.734 -0.439 -13.682 274 HH12 ARG 58 2HH1 ARG 58 -5.882 -0.676 -14.969 275 HH21 ARG 58 1HH2 ARG 58 -7.972 -2.795 -13.117 276 HH22 ARG 58 2HH2 ARG 58 -7.722 -2.007 -14.648 277 H ALA 59 H ALA 59 -0.303 -1.404 -7.984 278 HA ALA 59 HA ALA 59 1.876 -1.475 -9.774 279 HB1 ALA 59 1HB ALA 59 1.512 0.353 -8.196 280 HB2 ALA 59 2HB ALA 59 3.128 -0.334 -8.028 281 HB3 ALA 59 3HB ALA 59 1.873 -0.733 -6.854 282 H LEU 60 H LEU 60 1.189 -3.314 -6.825 283 HA LEU 60 HA LEU 60 3.640 -4.823 -7.082 284 HG LEU 60 HG LEU 60 2.999 -4.574 -3.448 285 HB2 LEU 60 2HB LEU 60 1.294 -5.050 -5.206 286 HB3 LEU 60 1HB LEU 60 2.662 -6.140 -5.168 287 HD11 LEU 60 1HD1 LEU 60 4.688 -3.729 -5.788 288 HD12 LEU 60 2HD1 LEU 60 4.996 -5.097 -4.716 289 HD13 LEU 60 3HD1 LEU 60 5.061 -3.450 -4.086 290 HD21 LEU 60 1HD2 LEU 60 1.424 -2.868 -4.150 291 HD22 LEU 60 2HD2 LEU 60 2.522 -2.371 -5.437 292 HD23 LEU 60 3HD2 LEU 60 2.989 -2.162 -3.750 293 H GLY 61 H GLY 61 0.322 -5.115 -8.033 294 HA2 GLY 61 2HA GLY 61 -0.461 -6.576 -9.696 295 HA3 GLY 61 1HA GLY 61 0.966 -7.575 -9.462 296 H PHE 62 H PHE 62 -1.543 -6.425 -7.220 297 HA PHE 62 HA PHE 62 -1.827 -9.159 -6.221 298 HD1 PHE 62 2HD PHE 62 -0.991 -9.596 -4.129 299 HD2 PHE 62 1HD PHE 62 -1.202 -5.350 -4.023 300 HE1 PHE 62 2HE PHE 62 1.066 -9.533 -2.788 301 HE2 PHE 62 1HE PHE 62 0.859 -5.276 -2.683 302 HZ PHE 62 HZ PHE 62 1.915 -7.353 -1.948 303 HB2 PHE 62 2HB PHE 62 -2.794 -6.503 -5.163 304 HB3 PHE 62 1HB PHE 62 -3.233 -8.046 -4.442 305 H ASP 63 H ASP 63 -3.627 -10.356 -6.461 306 HA ASP 63 HA ASP 63 -5.946 -9.109 -7.753 307 HB2 ASP 63 2HB ASP 63 -5.059 -11.207 -8.783 308 HB3 ASP 63 1HB ASP 63 -5.431 -12.059 -7.284 309 H VAL 64 H VAL 64 -7.276 -8.257 -6.288 310 HA VAL 64 HA VAL 64 -7.967 -9.832 -3.920 311 HB VAL 64 HB VAL 64 -7.837 -7.719 -2.519 312 HG11 VAL 64 1HG1 VAL 64 -6.251 -9.507 -2.213 313 HG12 VAL 64 2HG1 VAL 64 -5.405 -7.962 -2.126 314 HG13 VAL 64 3HG1 VAL 64 -5.297 -8.946 -3.585 315 HG21 VAL 64 1HG2 VAL 64 -7.655 -6.090 -4.307 316 HG22 VAL 64 2HG2 VAL 64 -6.145 -6.817 -4.853 317 HG23 VAL 64 3HG2 VAL 64 -6.221 -6.017 -3.284 318 H LYS 65 H LYS 65 -8.714 -6.993 -5.868 319 HA LYS 65 HA LYS 65 -10.615 -5.834 -6.266 320 HB2 LYS 65 2HB LYS 65 -11.667 -8.577 -5.725 321 HB3 LYS 65 1HB LYS 65 -12.799 -7.242 -5.892 322 HG2 LYS 65 2HG LYS 65 -12.601 -7.241 -8.099 323 HG3 LYS 65 1HG LYS 65 -10.839 -7.217 -8.005 324 HD2 LYS 65 2HD LYS 65 -12.438 -9.720 -7.563 325 HD3 LYS 65 1HD LYS 65 -11.912 -9.210 -9.169 326 HE2 LYS 65 2HE LYS 65 -9.598 -9.248 -8.454 327 HE3 LYS 65 1HE LYS 65 -10.084 -9.665 -6.810 328 HZ1 LYS 65 1HZ LYS 65 -9.339 -11.612 -8.053 329 HZ2 LYS 65 2HZ LYS 65 -10.520 -11.333 -9.238 330 HZ3 LYS 65 3HZ LYS 65 -10.988 -11.755 -7.665 331 H LYS 66 H LYS 66 -13.070 -5.649 -5.061 332 HA LYS 66 HA LYS 66 -12.491 -3.892 -3.011 333 HB2 LYS 66 2HB LYS 66 -14.622 -4.084 -4.391 334 HB3 LYS 66 1HB LYS 66 -15.142 -5.309 -3.246 335 HG2 LYS 66 2HG LYS 66 -14.342 -2.553 -2.361 336 HG3 LYS 66 1HG LYS 66 -15.976 -2.926 -2.906 337 HD2 LYS 66 2HD LYS 66 -14.564 -4.363 -0.659 338 HD3 LYS 66 1HD LYS 66 -15.682 -3.015 -0.433 339 HE2 LYS 66 2HE LYS 66 -16.387 -5.603 -1.817 340 HE3 LYS 66 1HE LYS 66 -16.724 -5.258 -0.121 341 HZ1 LYS 66 1HZ LYS 66 -17.749 -3.655 -2.401 342 HZ2 LYS 66 2HZ LYS 66 -18.138 -3.446 -0.765 343 HZ3 LYS 66 3HZ LYS 66 -18.638 -4.844 -1.585 344 HA PRO 67 HA PRO 67 -14.196 -7.223 0.226 345 HB2 PRO 67 2HB PRO 67 -13.197 -9.754 -0.473 346 HB3 PRO 67 1HB PRO 67 -14.880 -9.230 -0.554 347 HG2 PRO 67 2HG PRO 67 -12.825 -9.354 -2.707 348 HG3 PRO 67 1HG PRO 67 -14.567 -9.676 -2.793 349 HD2 PRO 67 2HD PRO 67 -13.547 -7.404 -3.747 350 HD3 PRO 67 1HD PRO 67 -15.100 -7.410 -2.884 351 H GLU 68 H GLU 68 -11.198 -8.326 -1.403 352 HA GLU 68 HA GLU 68 -9.920 -8.711 1.147 353 HB2 GLU 68 2HB GLU 68 -8.735 -8.840 -1.631 354 HB3 GLU 68 1HB GLU 68 -7.983 -9.429 -0.157 355 HG2 GLU 68 2HG GLU 68 -10.495 -10.486 -1.428 356 HG3 GLU 68 1HG GLU 68 -8.910 -11.256 -1.438 357 H ILE 69 H ILE 69 -10.328 -6.056 -0.927 358 HA ILE 69 HA ILE 69 -7.703 -4.964 -0.369 359 HB ILE 69 HB ILE 69 -9.078 -4.881 -2.634 360 HG12 ILE 69 2HG1 ILE 69 -7.429 -2.499 -1.806 361 HG13 ILE 69 1HG1 ILE 69 -6.731 -4.081 -2.151 362 HG21 ILE 69 1HG2 ILE 69 -10.028 -2.634 -3.005 363 HG22 ILE 69 2HG2 ILE 69 -9.863 -2.309 -1.279 364 HG23 ILE 69 3HG2 ILE 69 -10.944 -3.585 -1.836 365 HD11 ILE 69 1HD1 ILE 69 -7.655 -3.986 -4.416 366 HD12 ILE 69 2HD1 ILE 69 -6.570 -2.633 -4.085 367 HD13 ILE 69 3HD1 ILE 69 -8.316 -2.388 -4.068 368 H LEU 70 H LEU 70 -11.092 -4.200 0.410 369 HA LEU 70 HA LEU 70 -10.268 -1.778 1.704 370 HG LEU 70 HG LEU 70 -14.394 -2.848 2.105 371 HB2 LEU 70 2HB LEU 70 -12.475 -1.294 2.109 372 HB3 LEU 70 1HB LEU 70 -12.590 -2.277 0.674 373 HD11 LEU 70 1HD1 LEU 70 -13.441 -4.743 0.974 374 HD12 LEU 70 2HD1 LEU 70 -14.022 -5.217 2.571 375 HD13 LEU 70 3HD1 LEU 70 -12.294 -4.989 2.295 376 HD21 LEU 70 1HD2 LEU 70 -12.358 -3.281 4.278 377 HD22 LEU 70 2HD2 LEU 70 -14.081 -3.661 4.400 378 HD23 LEU 70 3HD2 LEU 70 -13.558 -1.987 4.198 379 H GLU 71 H GLU 71 -10.876 -5.089 2.686 380 HA GLU 71 HA GLU 71 -10.778 -4.571 5.476 381 HB2 GLU 71 2HB GLU 71 -11.042 -6.883 3.781 382 HB3 GLU 71 1HB GLU 71 -9.859 -7.194 5.045 383 HG2 GLU 71 2HG GLU 71 -12.741 -6.425 5.353 384 HG3 GLU 71 1HG GLU 71 -11.938 -7.899 5.887 385 H LEU 72 H LEU 72 -8.418 -5.064 2.998 386 HA LEU 72 HA LEU 72 -6.205 -5.534 4.639 387 HG LEU 72 HG LEU 72 -4.000 -5.243 3.482 388 HB2 LEU 72 2HB LEU 72 -6.238 -5.847 2.182 389 HB3 LEU 72 1HB LEU 72 -6.316 -4.110 1.977 390 HD11 LEU 72 1HD1 LEU 72 -4.271 -5.278 0.477 391 HD12 LEU 72 2HD1 LEU 72 -4.186 -6.696 1.523 392 HD13 LEU 72 3HD1 LEU 72 -2.798 -5.617 1.384 393 HD21 LEU 72 1HD2 LEU 72 -2.852 -3.376 2.375 394 HD22 LEU 72 2HD2 LEU 72 -4.266 -2.827 3.275 395 HD23 LEU 72 3HD2 LEU 72 -4.342 -2.977 1.519 396 H MET 73 H MET 73 -8.013 -2.687 3.845 397 HA MET 73 HA MET 73 -6.069 -0.954 5.144 398 HB2 MET 73 2HB MET 73 -8.621 -0.472 3.633 399 HB3 MET 73 1HB MET 73 -7.920 0.791 4.636 400 HG2 MET 73 2HG MET 73 -6.392 -0.609 2.473 401 HG3 MET 73 1HG MET 73 -7.340 0.849 2.197 402 HE1 MET 73 1HE MET 73 -6.929 2.386 4.910 403 HE2 MET 73 2HE MET 73 -6.843 3.169 3.330 404 HE3 MET 73 3HE MET 73 -5.557 3.425 4.510 405 H ASN 74 H ASN 74 -9.019 -2.626 5.811 406 HA ASN 74 HA ASN 74 -9.866 -1.016 7.977 407 HB2 ASN 74 2HB ASN 74 -11.204 -2.807 6.725 408 HB3 ASN 74 1HB ASN 74 -10.384 -3.974 7.760 409 HD21 ASN 74 1HD2 ASN 74 -12.648 -1.385 7.599 410 HD22 ASN 74 2HD2 ASN 74 -13.337 -1.597 9.178 411 H GLU 75 H GLU 75 -8.171 -4.163 7.944 412 HA GLU 75 HA GLU 75 -7.380 -4.194 10.602 413 HB2 GLU 75 2HB GLU 75 -5.879 -5.218 8.196 414 HB3 GLU 75 1HB GLU 75 -5.467 -5.604 9.861 415 HG2 GLU 75 2HG GLU 75 -7.743 -6.573 10.124 416 HG3 GLU 75 1HG GLU 75 -7.988 -6.328 8.395 417 H TYR 76 H TYR 76 -5.775 -2.446 7.924 418 HA TYR 76 HA TYR 76 -3.526 -1.905 9.709 419 HD1 TYR 76 1HD TYR 76 -4.378 -4.088 6.925 420 HD2 TYR 76 2HD TYR 76 -0.662 -2.443 8.174 421 HE1 TYR 76 1HE TYR 76 -3.377 -6.327 6.857 422 HE2 TYR 76 2HE TYR 76 0.356 -4.684 8.109 423 HH TYR 76 HH TYR 76 -1.195 -7.372 6.669 424 HB2 TYR 76 2HB TYR 76 -3.843 -1.617 6.734 425 HB3 TYR 76 1HB TYR 76 -2.438 -1.005 7.606 426 H ASP 77 H ASP 77 -5.916 -0.041 7.834 427 HA ASP 77 HA ASP 77 -4.703 2.474 8.427 428 HB2 ASP 77 2HB ASP 77 -6.133 2.293 6.480 429 HB3 ASP 77 1HB ASP 77 -7.500 1.821 7.484 430 H ARG 78 H ARG 78 -5.812 4.198 9.695 431 HA ARG 78 HA ARG 78 -6.487 3.335 12.313 432 HE ARG 78 HE ARG 78 -8.950 6.203 11.974 433 HB2 ARG 78 2HB ARG 78 -7.020 5.749 12.678 434 HB3 ARG 78 1HB ARG 78 -5.412 5.466 12.036 435 HG2 ARG 78 2HG ARG 78 -5.820 6.751 10.275 436 HG3 ARG 78 1HG ARG 78 -7.298 5.861 9.899 437 HD2 ARG 78 2HD ARG 78 -7.021 8.092 11.899 438 HD3 ARG 78 1HD ARG 78 -7.770 8.218 10.306 439 HH11 ARG 78 1HH1 ARG 78 -8.982 9.588 11.101 440 HH12 ARG 78 2HH1 ARG 78 -10.578 9.865 11.731 441 HH21 ARG 78 1HH2 ARG 78 -11.068 6.566 12.790 442 HH22 ARG 78 2HH2 ARG 78 -11.764 8.154 12.675 443 H GLU 79 H GLU 79 -8.253 2.130 12.456 444 HA GLU 79 HA GLU 79 -10.424 1.495 12.529 445 HB2 GLU 79 2HB GLU 79 -11.021 4.375 11.841 446 HB3 GLU 79 1HB GLU 79 -12.189 3.194 12.413 447 HG2 GLU 79 2HG GLU 79 -9.788 4.123 13.958 448 HG3 GLU 79 1HG GLU 79 -11.427 4.739 14.162 449 H GLY 80 H GLY 80 -9.054 2.722 9.685 450 HA2 GLY 80 2HA GLY 80 -9.514 2.099 7.484 451 HA3 GLY 80 1HA GLY 80 -10.993 1.323 8.046 452 H ASN 81 H ASN 81 -10.190 4.534 9.005 453 HA ASN 81 HA ASN 81 -12.336 5.609 7.299 454 HB2 ASN 81 2HB ASN 81 -11.977 5.804 10.262 455 HB3 ASN 81 1HB ASN 81 -12.715 7.150 9.405 456 HD21 ASN 81 1HD2 ASN 81 -13.189 3.905 8.255 457 HD22 ASN 81 2HD2 ASN 81 -14.837 3.750 8.770 458 H GLY 82 H GLY 82 -9.175 5.709 7.684 459 HA2 GLY 82 2HA GLY 82 -9.074 8.622 7.244 460 HA3 GLY 82 1HA GLY 82 -7.979 7.873 8.393 461 H TYR 83 H TYR 83 -6.046 7.616 7.630 462 HA TYR 83 HA TYR 83 -5.583 6.642 4.935 463 HD1 TYR 83 1HD TYR 83 -6.752 10.088 6.042 464 HD2 TYR 83 2HD TYR 83 -4.883 8.904 2.410 465 HE1 TYR 83 1HE TYR 83 -8.398 11.401 4.776 466 HE2 TYR 83 2HE TYR 83 -6.523 10.221 1.134 467 HH TYR 83 HH TYR 83 -8.709 12.418 2.684 468 HB2 TYR 83 2HB TYR 83 -4.335 9.213 5.922 469 HB3 TYR 83 1HB TYR 83 -3.871 8.364 4.470 470 H ILE 84 H ILE 84 -3.365 5.968 4.670 471 HA ILE 84 HA ILE 84 -2.126 5.284 7.245 472 HB ILE 84 HB ILE 84 -0.881 3.580 6.002 473 HG12 ILE 84 2HG1 ILE 84 -2.159 4.954 3.684 474 HG13 ILE 84 1HG1 ILE 84 -0.537 4.298 3.843 475 HG21 ILE 84 1HG2 ILE 84 -2.768 2.097 5.467 476 HG22 ILE 84 2HG2 ILE 84 -3.859 3.482 5.518 477 HG23 ILE 84 3HG2 ILE 84 -3.020 2.968 6.981 478 HD11 ILE 84 1HD1 ILE 84 -3.065 2.750 3.391 479 HD12 ILE 84 2HD1 ILE 84 -1.467 2.035 3.625 480 HD13 ILE 84 3HD1 ILE 84 -1.785 3.055 2.219 481 H GLY 85 H GLY 85 0.227 5.393 7.360 482 HA2 GLY 85 2HA GLY 85 1.227 7.712 5.856 483 HA3 GLY 85 1HA GLY 85 1.864 7.134 7.394 484 H PHE 86 H PHE 86 3.624 7.619 5.377 485 HA PHE 86 HA PHE 86 4.099 5.597 3.552 486 HD1 PHE 86 1HD PHE 86 5.729 6.035 1.544 487 HD2 PHE 86 2HD PHE 86 8.083 6.267 5.076 488 HE1 PHE 86 1HE PHE 86 7.594 4.965 0.369 489 HE2 PHE 86 2HE PHE 86 9.946 5.218 3.914 490 HZ PHE 86 HZ PHE 86 9.569 4.275 1.599 491 HB2 PHE 86 2HB PHE 86 5.297 7.697 3.433 492 HB3 PHE 86 1HB PHE 86 6.080 7.378 4.984 493 H ASP 87 H ASP 87 5.162 5.880 6.906 494 HA ASP 87 HA ASP 87 6.788 3.618 7.042 495 HB2 ASP 87 2HB ASP 87 6.674 5.315 8.813 496 HB3 ASP 87 1HB ASP 87 5.033 4.804 9.202 497 H ASP 88 H ASP 88 3.295 3.948 7.435 498 HA ASP 88 HA ASP 88 2.868 1.235 8.237 499 HB2 ASP 88 2HB ASP 88 0.872 3.184 7.060 500 HB3 ASP 88 1HB ASP 88 0.493 1.716 7.951 501 H PHE 89 H PHE 89 3.196 2.883 5.250 502 HA PHE 89 HA PHE 89 1.881 0.936 3.597 503 HD1 PHE 89 2HD PHE 89 0.931 1.758 1.128 504 HD2 PHE 89 1HD PHE 89 5.006 2.959 1.251 505 HE1 PHE 89 2HE PHE 89 1.147 1.226 -1.249 506 HE2 PHE 89 1HE PHE 89 5.240 2.419 -1.135 507 HZ PHE 89 HZ PHE 89 3.366 1.630 -2.408 508 HB2 PHE 89 2HB PHE 89 1.876 3.243 2.916 509 HB3 PHE 89 1HB PHE 89 3.623 3.354 3.078 510 H LEU 90 H LEU 90 4.954 1.335 4.980 511 HA LEU 90 HA LEU 90 6.577 0.317 2.879 512 HG LEU 90 HG LEU 90 8.607 1.333 3.095 513 HB2 LEU 90 2HB LEU 90 6.987 1.809 5.051 514 HB3 LEU 90 1HB LEU 90 7.513 0.264 5.680 515 HD11 LEU 90 1HD1 LEU 90 9.009 3.045 4.760 516 HD12 LEU 90 2HD1 LEU 90 10.509 2.208 4.363 517 HD13 LEU 90 3HD1 LEU 90 9.668 1.839 5.868 518 HD21 LEU 90 1HD2 LEU 90 9.648 -0.628 5.139 519 HD22 LEU 90 2HD2 LEU 90 10.495 -0.127 3.677 520 HD23 LEU 90 3HD2 LEU 90 8.982 -1.025 3.553 521 H ASP 91 H ASP 91 5.475 -1.035 5.978 522 HA ASP 91 HA ASP 91 6.875 -3.476 5.700 523 HB2 ASP 91 2HB ASP 91 5.248 -4.280 7.477 524 HB3 ASP 91 1HB ASP 91 6.282 -2.922 7.898 525 H ILE 92 H ILE 92 4.359 -2.379 3.954 526 HA ILE 92 HA ILE 92 2.956 -4.907 3.589 527 HB ILE 92 HB ILE 92 2.629 -2.217 2.300 528 HG12 ILE 92 2HG1 ILE 92 1.072 -3.535 4.482 529 HG13 ILE 92 1HG1 ILE 92 2.385 -2.400 4.774 530 HG21 ILE 92 1HG2 ILE 92 0.428 -3.048 1.608 531 HG22 ILE 92 2HG2 ILE 92 0.800 -4.619 2.319 532 HG23 ILE 92 3HG2 ILE 92 1.722 -4.041 0.931 533 HD11 ILE 92 1HD1 ILE 92 -0.222 -1.844 3.346 534 HD12 ILE 92 2HD1 ILE 92 1.097 -0.689 3.544 535 HD13 ILE 92 3HD1 ILE 92 0.235 -1.294 4.959 536 H MET 93 H MET 93 5.020 -2.690 1.820 537 HA MET 93 HA MET 93 5.148 -4.328 -0.504 538 HB2 MET 93 2HB MET 93 7.008 -2.163 0.467 539 HB3 MET 93 1HB MET 93 7.015 -2.877 -1.146 540 HG2 MET 93 2HG MET 93 4.604 -2.152 -1.332 541 HG3 MET 93 1HG MET 93 4.871 -1.194 0.132 542 HE1 MET 93 1HE MET 93 7.241 -0.641 -3.788 543 HE2 MET 93 2HE MET 93 5.890 -1.768 -3.631 544 HE3 MET 93 3HE MET 93 7.372 -2.036 -2.713 545 H THR 94 H THR 94 6.730 -4.262 2.567 546 HA THR 94 HA THR 94 8.476 -6.442 1.720 547 HB THR 94 HB THR 94 9.535 -6.322 3.871 548 HG1 THR 94 1HG THR 94 7.882 -5.819 5.278 549 HG21 THR 94 1HG2 THR 94 10.275 -4.712 2.195 550 HG22 THR 94 2HG2 THR 94 10.384 -4.011 3.811 551 HG23 THR 94 3HG2 THR 94 9.055 -3.560 2.740 552 H GLU 95 H GLU 95 5.350 -6.095 2.720 553 HA GLU 95 HA GLU 95 5.146 -8.156 4.654 554 HB2 GLU 95 2HB GLU 95 3.439 -6.336 4.114 555 HB3 GLU 95 1HB GLU 95 2.916 -7.368 2.798 556 HG2 GLU 95 2HG GLU 95 2.884 -8.039 5.734 557 HG3 GLU 95 1HG GLU 95 1.494 -7.598 4.752 558 H LYS 96 H LYS 96 4.430 -7.964 1.205 559 HA LYS 96 HA LYS 96 3.411 -10.584 1.123 560 HB2 LYS 96 2HB LYS 96 3.269 -10.137 -1.371 561 HB3 LYS 96 1HB LYS 96 2.361 -9.084 -0.303 562 HG2 LYS 96 2HG LYS 96 3.297 -7.663 -1.890 563 HG3 LYS 96 1HG LYS 96 4.321 -7.476 -0.468 564 HD2 LYS 96 2HD LYS 96 5.279 -9.604 -2.171 565 HD3 LYS 96 1HD LYS 96 5.142 -8.080 -3.064 566 HE2 LYS 96 2HE LYS 96 6.279 -7.298 -0.687 567 HE3 LYS 96 1HE LYS 96 6.984 -8.890 -0.950 568 HZ1 LYS 96 1HZ LYS 96 8.373 -7.233 -1.970 569 HZ2 LYS 96 2HZ LYS 96 7.074 -6.619 -2.866 570 HZ3 LYS 96 3HZ LYS 96 7.659 -8.177 -3.186 571 H ILE 97 H ILE 97 6.635 -9.650 1.029 572 HA ILE 97 HA ILE 97 7.411 -11.902 -0.668 573 HB ILE 97 HB ILE 97 9.789 -11.192 0.127 574 HG12 ILE 97 2HG1 ILE 97 9.792 -8.623 0.405 575 HG13 ILE 97 1HG1 ILE 97 8.129 -8.846 0.944 576 HG21 ILE 97 1HG2 ILE 97 9.942 -9.591 -1.711 577 HG22 ILE 97 2HG2 ILE 97 8.183 -9.518 -1.777 578 HG23 ILE 97 3HG2 ILE 97 9.017 -11.027 -2.146 579 HD11 ILE 97 1HD1 ILE 97 8.916 -10.406 2.658 580 HD12 ILE 97 2HD1 ILE 97 9.618 -8.794 2.836 581 HD13 ILE 97 3HD1 ILE 97 10.577 -10.105 2.146 582 H LYS 98 H LYS 98 6.922 -11.151 2.596 583 HA LYS 98 HA LYS 98 8.556 -13.349 3.583 584 HB2 LYS 98 2HB LYS 98 8.816 -11.734 5.133 585 HB3 LYS 98 1HB LYS 98 7.359 -10.892 4.638 586 HG2 LYS 98 2HG LYS 98 6.146 -12.806 5.905 587 HG3 LYS 98 1HG LYS 98 7.719 -13.025 6.685 588 HD2 LYS 98 2HD LYS 98 6.191 -11.482 7.906 589 HD3 LYS 98 1HD LYS 98 7.731 -10.751 7.438 590 HE2 LYS 98 2HE LYS 98 6.653 -9.712 5.486 591 HE3 LYS 98 1HE LYS 98 5.116 -10.455 5.944 592 HZ1 LYS 98 1HZ LYS 98 5.123 -8.212 6.725 593 HZ2 LYS 98 2HZ LYS 98 6.636 -8.400 7.464 594 HZ3 LYS 98 3HZ LYS 98 5.284 -9.213 8.083 595 H ASN 99 H ASN 99 5.170 -12.249 3.899 596 HA ASN 99 HA ASN 99 4.345 -15.055 3.990 597 HB2 ASN 99 2HB ASN 99 3.330 -13.484 5.645 598 HB3 ASN 99 1HB ASN 99 2.659 -12.550 4.312 599 HD21 ASN 99 1HD2 ASN 99 0.828 -13.250 3.313 600 HD22 ASN 99 2HD2 ASN 99 -0.065 -14.648 3.800 601 H ARG 100 H ARG 100 5.396 -14.860 1.746 602 HA ARG 100 HA ARG 100 3.802 -13.600 -0.272 603 HE ARG 100 HE ARG 100 8.594 -14.699 -0.169 604 HB2 ARG 100 2HB ARG 100 5.369 -14.458 -1.876 605 HB3 ARG 100 1HB ARG 100 6.245 -13.805 -0.504 606 HG2 ARG 100 2HG ARG 100 6.661 -16.040 0.329 607 HG3 ARG 100 1HG ARG 100 5.718 -16.723 -1.001 608 HD2 ARG 100 2HD ARG 100 8.035 -16.876 -1.584 609 HD3 ARG 100 1HD ARG 100 7.290 -15.631 -2.589 610 HH11 ARG 100 1HH1 ARG 100 8.830 -15.240 -3.628 611 HH12 ARG 100 2HH1 ARG 100 10.172 -14.160 -3.829 612 HH21 ARG 100 1HH2 ARG 100 10.365 -13.287 -0.444 613 HH22 ARG 100 2HH2 ARG 100 11.052 -13.057 -2.027 614 H ASP 101 H ASP 101 3.450 -16.411 1.436 615 HA ASP 101 HA ASP 101 2.076 -17.798 -0.756 616 HB2 ASP 101 2HB ASP 101 3.792 -19.068 0.586 617 HB3 ASP 101 1HB ASP 101 2.747 -18.879 1.991 Start of MODEL 10 1 HA LEU 25 HA LEU 25 15.555 -5.285 3.530 2 HG LEU 25 HG LEU 25 13.004 -4.392 5.182 3 H1 LEU 25 1HT LEU 25 14.810 -4.990 5.817 4 H2 LEU 25 2HT LEU 25 15.659 -3.525 5.911 5 H3 LEU 25 3HT LEU 25 16.496 -4.982 5.696 6 HB2 LEU 25 2HB LEU 25 14.255 -2.601 4.009 7 HB3 LEU 25 1HB LEU 25 14.171 -3.541 2.533 8 HD11 LEU 25 1HD1 LEU 25 11.845 -2.456 4.268 9 HD12 LEU 25 2HD1 LEU 25 10.845 -3.905 4.150 10 HD13 LEU 25 3HD1 LEU 25 11.668 -3.282 2.720 11 HD21 LEU 25 1HD2 LEU 25 13.649 -6.270 3.756 12 HD22 LEU 25 2HD2 LEU 25 12.732 -5.575 2.419 13 HD23 LEU 25 3HD2 LEU 25 11.895 -6.126 3.870 14 H SER 26 H SER 26 16.389 -4.137 1.610 15 HA SER 26 HA SER 26 18.759 -2.599 2.217 16 HG SER 26 HG SER 26 19.139 -4.804 1.273 17 HB2 SER 26 2HB SER 26 17.600 -3.234 -0.504 18 HB3 SER 26 1HB SER 26 19.266 -2.797 -0.128 19 H GLU 27 H GLU 27 19.168 -0.462 1.322 20 HA GLU 27 HA GLU 27 16.876 1.233 1.580 21 HB2 GLU 27 2HB GLU 27 19.730 1.846 0.802 22 HB3 GLU 27 1HB GLU 27 18.490 3.069 1.053 23 HG2 GLU 27 2HG GLU 27 18.201 2.223 3.369 24 HG3 GLU 27 1HG GLU 27 19.562 1.139 3.095 25 H GLU 28 H GLU 28 18.631 -0.147 -1.118 26 HA GLU 28 HA GLU 28 17.520 1.417 -3.171 27 HB2 GLU 28 2HB GLU 28 17.930 -0.513 -4.651 28 HB3 GLU 28 1HB GLU 28 19.312 -0.180 -3.620 29 HG2 GLU 28 2HG GLU 28 18.762 -2.024 -2.191 30 HG3 GLU 28 1HG GLU 28 17.261 -2.309 -3.070 31 H GLN 29 H GLN 29 16.269 -1.312 -1.370 32 HA GLN 29 HA GLN 29 13.833 -1.661 -2.748 33 HB2 GLN 29 2HB GLN 29 14.659 -2.190 0.107 34 HB3 GLN 29 1HB GLN 29 13.078 -2.627 -0.512 35 HG2 GLN 29 2HG GLN 29 15.756 -3.682 -1.376 36 HG3 GLN 29 1HG GLN 29 14.461 -4.564 -0.570 37 HE21 GLN 29 1HE2 GLN 29 12.647 -5.183 -1.763 38 HE22 GLN 29 2HE2 GLN 29 12.645 -5.192 -3.491 39 H LYS 30 H LYS 30 14.782 0.268 0.023 40 HA LYS 30 HA LYS 30 12.263 1.316 0.636 41 HB2 LYS 30 2HB LYS 30 15.070 1.971 1.334 42 HB3 LYS 30 1HB LYS 30 13.841 3.198 1.649 43 HG2 LYS 30 2HG LYS 30 12.841 2.001 3.245 44 HG3 LYS 30 1HG LYS 30 13.195 0.457 2.475 45 HD2 LYS 30 2HD LYS 30 14.410 0.609 4.551 46 HD3 LYS 30 1HD LYS 30 15.537 0.662 3.196 47 HE2 LYS 30 2HE LYS 30 15.799 3.035 3.424 48 HE3 LYS 30 1HE LYS 30 14.500 3.112 4.613 49 HZ1 LYS 30 1HZ LYS 30 15.823 1.991 6.199 50 HZ2 LYS 30 2HZ LYS 30 16.808 3.200 5.532 51 HZ3 LYS 30 3HZ LYS 30 17.004 1.585 5.054 52 H GLN 31 H GLN 31 14.734 2.393 -1.607 53 HA GLN 31 HA GLN 31 13.717 4.921 -2.134 54 HB2 GLN 31 2HB GLN 31 15.118 2.971 -3.964 55 HB3 GLN 31 1HB GLN 31 14.721 4.615 -4.438 56 HG2 GLN 31 2HG GLN 31 16.111 5.461 -2.605 57 HG3 GLN 31 1HG GLN 31 16.529 3.804 -2.174 58 HE21 GLN 31 1HE2 GLN 31 18.718 4.185 -2.540 59 HE22 GLN 31 2HE2 GLN 31 19.366 4.321 -4.147 60 H GLU 32 H GLU 32 12.915 1.790 -3.564 61 HA GLU 32 HA GLU 32 11.024 2.672 -5.436 62 HB2 GLU 32 2HB GLU 32 11.234 0.049 -3.953 63 HB3 GLU 32 1HB GLU 32 10.104 0.339 -5.266 64 HG2 GLU 32 2HG GLU 32 12.093 0.877 -6.706 65 HG3 GLU 32 1HG GLU 32 13.101 0.269 -5.390 66 H ILE 33 H ILE 33 10.781 2.000 -2.011 67 HA ILE 33 HA ILE 33 7.989 1.790 -1.846 68 HB ILE 33 HB ILE 33 9.881 2.736 0.312 69 HG12 ILE 33 2HG1 ILE 33 8.904 -0.049 -0.383 70 HG13 ILE 33 1HG1 ILE 33 10.535 0.559 -0.644 71 HG21 ILE 33 1HG2 ILE 33 7.544 3.208 0.819 72 HG22 ILE 33 2HG2 ILE 33 8.150 1.909 1.847 73 HG23 ILE 33 3HG2 ILE 33 7.116 1.532 0.468 74 HD11 ILE 33 1HD1 ILE 33 10.452 -0.836 1.322 75 HD12 ILE 33 2HD1 ILE 33 9.183 0.177 2.012 76 HD13 ILE 33 3HD1 ILE 33 10.805 0.831 1.775 77 H LYS 34 H LYS 34 10.084 4.611 -1.145 78 HA LYS 34 HA LYS 34 7.915 6.408 -0.736 79 HB2 LYS 34 2HB LYS 34 10.338 7.628 -1.856 80 HB3 LYS 34 1HB LYS 34 9.469 8.026 -0.394 81 HG2 LYS 34 2HG LYS 34 11.415 5.748 -0.672 82 HG3 LYS 34 1HG LYS 34 11.781 7.331 0.010 83 HD2 LYS 34 2HD LYS 34 10.403 6.993 1.849 84 HD3 LYS 34 1HD LYS 34 9.532 5.663 1.074 85 HE2 LYS 34 2HE LYS 34 10.998 4.700 2.680 86 HE3 LYS 34 1HE LYS 34 11.685 4.391 1.079 87 HZ1 LYS 34 1HZ LYS 34 13.334 5.991 1.393 88 HZ2 LYS 34 2HZ LYS 34 13.257 5.203 2.896 89 HZ3 LYS 34 3HZ LYS 34 12.530 6.721 2.697 90 H GLU 35 H GLU 35 9.868 5.484 -3.473 91 HA GLU 35 HA GLU 35 9.094 7.358 -5.361 92 HB2 GLU 35 2HB GLU 35 10.754 5.222 -5.291 93 HB3 GLU 35 1HB GLU 35 9.440 4.558 -6.261 94 HG2 GLU 35 2HG GLU 35 10.967 7.077 -6.886 95 HG3 GLU 35 1HG GLU 35 11.214 5.507 -7.644 96 H ALA 36 H ALA 36 7.760 4.090 -4.857 97 HA ALA 36 HA ALA 36 5.553 4.410 -6.579 98 HB1 ALA 36 1HB ALA 36 4.671 2.399 -5.522 99 HB2 ALA 36 2HB ALA 36 5.847 2.556 -4.215 100 HB3 ALA 36 3HB ALA 36 6.394 2.222 -5.859 101 H PHE 37 H PHE 37 5.907 4.809 -3.083 102 HA PHE 37 HA PHE 37 3.318 5.272 -2.314 103 HD1 PHE 37 1HD PHE 37 2.501 5.486 -0.139 104 HD2 PHE 37 2HD PHE 37 5.749 8.203 0.180 105 HE1 PHE 37 1HE PHE 37 1.301 6.702 1.622 106 HE2 PHE 37 2HE PHE 37 4.572 9.424 1.939 107 HZ PHE 37 HZ PHE 37 2.330 8.681 2.669 108 HB2 PHE 37 2HB PHE 37 5.176 5.041 -0.764 109 HB3 PHE 37 1HB PHE 37 5.874 6.548 -1.336 110 H ASP 38 H ASP 38 5.681 7.697 -3.422 111 HA ASP 38 HA ASP 38 3.793 9.852 -3.262 112 HB2 ASP 38 2HB ASP 38 6.314 10.041 -3.047 113 HB3 ASP 38 1HB ASP 38 6.398 9.824 -4.789 114 H LEU 39 H LEU 39 4.979 7.721 -5.759 115 HA LEU 39 HA LEU 39 3.941 9.031 -8.013 116 HG LEU 39 HG LEU 39 2.936 6.120 -9.230 117 HB2 LEU 39 2HB LEU 39 5.551 7.330 -8.325 118 HB3 LEU 39 1HB LEU 39 4.616 6.171 -7.404 119 HD11 LEU 39 1HD1 LEU 39 3.322 8.339 -10.144 120 HD12 LEU 39 2HD1 LEU 39 3.492 7.104 -11.390 121 HD13 LEU 39 3HD1 LEU 39 4.928 7.848 -10.686 122 HD21 LEU 39 1HD2 LEU 39 5.763 5.518 -10.089 123 HD22 LEU 39 2HD2 LEU 39 4.296 4.839 -10.795 124 HD23 LEU 39 3HD2 LEU 39 4.729 4.462 -9.128 125 H PHE 40 H PHE 40 2.501 6.680 -5.800 126 HA PHE 40 HA PHE 40 0.131 6.337 -7.356 127 HD1 PHE 40 1HD PHE 40 0.206 4.483 -7.988 128 HD2 PHE 40 2HD PHE 40 1.768 3.547 -4.142 129 HE1 PHE 40 1HE PHE 40 1.198 2.421 -8.893 130 HE2 PHE 40 2HE PHE 40 2.762 1.490 -5.042 131 HZ PHE 40 HZ PHE 40 2.519 0.963 -7.469 132 HB2 PHE 40 2HB PHE 40 0.788 5.613 -4.504 133 HB3 PHE 40 1HB PHE 40 -0.745 5.215 -5.276 134 H ASP 41 H ASP 41 1.182 8.736 -5.148 135 HA ASP 41 HA ASP 41 -1.403 9.715 -4.461 136 HB2 ASP 41 2HB ASP 41 0.398 10.462 -3.087 137 HB3 ASP 41 1HB ASP 41 1.310 11.042 -4.479 138 H THR 42 H THR 42 -2.635 9.802 -6.228 139 HA THR 42 HA THR 42 -1.822 11.496 -8.469 140 HB THR 42 HB THR 42 -4.079 10.606 -9.396 141 HG1 THR 42 1HG THR 42 -3.633 8.480 -7.584 142 HG21 THR 42 1HG2 THR 42 -1.793 8.689 -8.914 143 HG22 THR 42 2HG2 THR 42 -1.866 9.895 -10.198 144 HG23 THR 42 3HG2 THR 42 -3.011 8.553 -10.182 145 H ASN 43 H ASN 43 -2.672 12.316 -5.677 146 HA ASN 43 HA ASN 43 -4.942 14.021 -6.441 147 HB2 ASN 43 2HB ASN 43 -4.306 12.895 -3.706 148 HB3 ASN 43 1HB ASN 43 -5.620 14.007 -4.064 149 HD21 ASN 43 1HD2 ASN 43 -5.582 11.259 -3.001 150 HD22 ASN 43 2HD2 ASN 43 -6.592 10.318 -4.052 151 H LYS 44 H LYS 44 -2.666 13.991 -3.697 152 HA LYS 44 HA LYS 44 -1.251 16.318 -4.132 153 HB2 LYS 44 2HB LYS 44 -2.605 18.042 -2.982 154 HB3 LYS 44 1HB LYS 44 -3.392 17.461 -4.446 155 HG2 LYS 44 2HG LYS 44 -4.816 15.996 -3.112 156 HG3 LYS 44 1HG LYS 44 -4.023 16.558 -1.643 157 HD2 LYS 44 2HD LYS 44 -4.831 18.830 -2.090 158 HD3 LYS 44 1HD LYS 44 -5.647 18.241 -3.545 159 HE2 LYS 44 2HE LYS 44 -7.013 16.748 -2.203 160 HE3 LYS 44 1HE LYS 44 -6.165 17.261 -0.743 161 HZ1 LYS 44 1HZ LYS 44 -8.303 18.366 -0.991 162 HZ2 LYS 44 2HZ LYS 44 -7.813 19.020 -2.477 163 HZ3 LYS 44 3HZ LYS 44 -7.024 19.481 -1.046 164 H THR 45 H THR 45 -1.353 13.761 -2.423 165 HA THR 45 HA THR 45 -0.967 14.978 0.190 166 HB THR 45 HB THR 45 -3.371 14.652 0.113 167 HG1 THR 45 1HG THR 45 -3.508 13.673 2.051 168 HG21 THR 45 1HG2 THR 45 -4.352 12.409 -0.084 169 HG22 THR 45 2HG2 THR 45 -2.753 11.743 -0.421 170 HG23 THR 45 3HG2 THR 45 -3.494 12.876 -1.552 171 H GLY 46 H GLY 46 0.192 13.764 1.622 172 HA2 GLY 46 2HA GLY 46 1.594 11.458 0.534 173 HA3 GLY 46 1HA GLY 46 1.958 12.289 2.040 174 H SER 47 H SER 47 -1.014 10.808 0.819 175 HA SER 47 HA SER 47 -0.856 8.621 2.676 176 HG SER 47 HG SER 47 -2.653 11.558 2.326 177 HB2 SER 47 2HB SER 47 -3.040 9.181 3.786 178 HB3 SER 47 1HB SER 47 -1.728 10.279 4.208 179 H ILE 48 H ILE 48 -2.408 6.980 2.194 180 HA ILE 48 HA ILE 48 -3.462 7.299 -0.536 181 HB ILE 48 HB ILE 48 -2.715 4.727 0.868 182 HG12 ILE 48 2HG1 ILE 48 -0.728 6.097 0.438 183 HG13 ILE 48 1HG1 ILE 48 -0.757 4.688 -0.615 184 HG21 ILE 48 1HG2 ILE 48 -4.431 4.420 -0.820 185 HG22 ILE 48 2HG2 ILE 48 -2.902 3.732 -1.369 186 HG23 ILE 48 3HG2 ILE 48 -3.448 5.284 -2.004 187 HD11 ILE 48 1HD1 ILE 48 -1.583 6.093 -2.445 188 HD12 ILE 48 2HD1 ILE 48 -0.027 6.647 -1.827 189 HD13 ILE 48 3HD1 ILE 48 -1.507 7.500 -1.384 190 H ASP 49 H ASP 49 -5.565 6.932 -0.958 191 HA ASP 49 HA ASP 49 -7.303 6.103 1.263 192 HB2 ASP 49 2HB ASP 49 -7.861 8.286 0.355 193 HB3 ASP 49 1HB ASP 49 -7.864 7.648 -1.282 194 H TYR 50 H TYR 50 -9.257 4.787 0.511 195 HA TYR 50 HA TYR 50 -8.270 2.392 -0.599 196 HD1 TYR 50 1HD TYR 50 -12.221 3.547 -1.632 197 HD2 TYR 50 2HD TYR 50 -10.801 3.772 2.376 198 HE1 TYR 50 1HE TYR 50 -13.974 5.189 -1.104 199 HE2 TYR 50 2HE TYR 50 -12.549 5.413 2.907 200 HH TYR 50 HH TYR 50 -13.980 6.994 1.817 201 HB2 TYR 50 2HB TYR 50 -10.762 1.743 -0.580 202 HB3 TYR 50 1HB TYR 50 -9.977 2.091 0.953 203 H HIS 51 H HIS 51 -9.457 5.177 -2.136 204 HA HIS 51 HA HIS 51 -10.508 3.943 -4.479 205 HD1 HIS 51 1HD HIS 51 -12.144 5.543 -6.346 206 HD2 HIS 51 2HD HIS 51 -8.479 7.511 -6.419 207 HE1 HIS 51 1HE HIS 51 -11.862 6.376 -8.706 208 HE2 HIS 51 2HE HIS 51 -9.714 7.701 -8.682 209 HB2 HIS 51 2HB HIS 51 -11.118 6.220 -3.966 210 HB3 HIS 51 1HB HIS 51 -9.428 6.726 -3.979 211 H GLU 52 H GLU 52 -7.409 5.681 -3.976 212 HA GLU 52 HA GLU 52 -6.418 4.517 -6.445 213 HB2 GLU 52 2HB GLU 52 -4.324 5.882 -5.859 214 HB3 GLU 52 1HB GLU 52 -5.782 6.745 -6.316 215 HG2 GLU 52 2HG GLU 52 -5.048 6.261 -3.451 216 HG3 GLU 52 1HG GLU 52 -4.443 7.647 -4.357 217 H LEU 53 H LEU 53 -6.464 3.562 -3.239 218 HA LEU 53 HA LEU 53 -4.022 2.216 -2.983 219 HG LEU 53 HG LEU 53 -4.951 -0.463 -1.789 220 HB2 LEU 53 2HB LEU 53 -5.762 2.388 -1.194 221 HB3 LEU 53 1HB LEU 53 -6.731 1.222 -2.078 222 HD11 LEU 53 1HD1 LEU 53 -3.657 1.646 -0.067 223 HD12 LEU 53 2HD1 LEU 53 -3.041 1.032 -1.600 224 HD13 LEU 53 3HD1 LEU 53 -3.142 -0.035 -0.198 225 HD21 LEU 53 1HD2 LEU 53 -5.922 0.792 0.774 226 HD22 LEU 53 2HD2 LEU 53 -5.340 -0.861 0.583 227 HD23 LEU 53 3HD2 LEU 53 -6.821 -0.349 -0.225 228 H LYS 54 H LYS 54 -6.941 1.474 -4.758 229 HA LYS 54 HA LYS 54 -6.387 -1.158 -5.529 230 HB2 LYS 54 2HB LYS 54 -8.551 0.099 -5.874 231 HB3 LYS 54 1HB LYS 54 -7.775 0.933 -7.214 232 HG2 LYS 54 2HG LYS 54 -7.306 -1.442 -8.115 233 HG3 LYS 54 1HG LYS 54 -8.564 -1.942 -6.983 234 HD2 LYS 54 2HD LYS 54 -8.808 0.019 -9.263 235 HD3 LYS 54 1HD LYS 54 -9.587 -1.556 -9.119 236 HE2 LYS 54 2HE LYS 54 -10.927 -0.764 -7.269 237 HE3 LYS 54 1HE LYS 54 -10.088 0.788 -7.290 238 HZ1 LYS 54 1HZ LYS 54 -12.166 1.027 -8.408 239 HZ2 LYS 54 2HZ LYS 54 -11.856 -0.308 -9.405 240 HZ3 LYS 54 3HZ LYS 54 -10.937 1.106 -9.575 241 H VAL 55 H VAL 55 -5.558 1.941 -7.038 242 HA VAL 55 HA VAL 55 -4.295 0.946 -9.333 243 HB VAL 55 HB VAL 55 -3.657 3.496 -7.835 244 HG11 VAL 55 1HG1 VAL 55 -1.925 2.922 -9.437 245 HG12 VAL 55 2HG1 VAL 55 -2.850 4.313 -10.004 246 HG13 VAL 55 3HG1 VAL 55 -3.136 2.717 -10.701 247 HG21 VAL 55 1HG2 VAL 55 -5.624 2.995 -10.066 248 HG22 VAL 55 2HG2 VAL 55 -5.211 4.573 -9.398 249 HG23 VAL 55 3HG2 VAL 55 -6.020 3.374 -8.391 250 H ALA 56 H ALA 56 -3.020 1.792 -6.142 251 HA ALA 56 HA ALA 56 -0.323 1.201 -6.589 252 HB1 ALA 56 1HB ALA 56 -1.083 2.355 -4.589 253 HB2 ALA 56 2HB ALA 56 -0.186 0.903 -4.143 254 HB3 ALA 56 3HB ALA 56 -1.946 0.912 -4.057 255 H MET 57 H MET 57 -2.935 -0.828 -5.347 256 HA MET 57 HA MET 57 -1.515 -3.196 -4.982 257 HB2 MET 57 2HB MET 57 -4.418 -2.783 -5.714 258 HB3 MET 57 1HB MET 57 -3.742 -4.307 -5.162 259 HG2 MET 57 2HG MET 57 -3.666 -1.765 -3.560 260 HG3 MET 57 1HG MET 57 -4.922 -2.988 -3.422 261 HE1 MET 57 1HE MET 57 -3.668 -5.713 -3.546 262 HE2 MET 57 2HE MET 57 -4.740 -5.191 -2.247 263 HE3 MET 57 3HE MET 57 -3.220 -6.003 -1.865 264 H ARG 58 H ARG 58 -3.183 -1.970 -7.862 265 HA ARG 58 HA ARG 58 -2.804 -4.306 -9.420 266 HE ARG 58 HE ARG 58 -4.513 -4.518 -11.784 267 HB2 ARG 58 2HB ARG 58 -3.226 -1.448 -10.308 268 HB3 ARG 58 1HB ARG 58 -3.300 -2.845 -11.368 269 HG2 ARG 58 2HG ARG 58 -5.156 -2.141 -9.118 270 HG3 ARG 58 1HG ARG 58 -5.523 -2.234 -10.839 271 HD2 ARG 58 2HD ARG 58 -4.755 -4.541 -9.060 272 HD3 ARG 58 1HD ARG 58 -6.380 -4.172 -9.629 273 HH11 ARG 58 1HH1 ARG 58 -6.568 -6.209 -9.513 274 HH12 ARG 58 2HH1 ARG 58 -6.748 -7.622 -10.506 275 HH21 ARG 58 1HH2 ARG 58 -4.721 -6.394 -13.100 276 HH22 ARG 58 2HH2 ARG 58 -5.672 -7.742 -12.530 277 H ALA 59 H ALA 59 -0.999 -1.238 -9.276 278 HA ALA 59 HA ALA 59 0.874 -1.748 -11.258 279 HB1 ALA 59 1HB ALA 59 0.592 0.430 -10.183 280 HB2 ALA 59 2HB ALA 59 2.278 -0.089 -10.165 281 HB3 ALA 59 3HB ALA 59 1.302 -0.209 -8.701 282 H LEU 60 H LEU 60 1.105 -2.467 -7.785 283 HA LEU 60 HA LEU 60 3.573 -3.799 -7.835 284 HG LEU 60 HG LEU 60 4.096 -3.431 -5.401 285 HB2 LEU 60 2HB LEU 60 1.185 -3.841 -6.061 286 HB3 LEU 60 1HB LEU 60 2.378 -5.106 -5.867 287 HD11 LEU 60 1HD1 LEU 60 3.246 -1.563 -6.701 288 HD12 LEU 60 2HD1 LEU 60 3.480 -1.092 -5.016 289 HD13 LEU 60 3HD1 LEU 60 1.857 -1.425 -5.624 290 HD21 LEU 60 1HD2 LEU 60 1.593 -3.188 -3.755 291 HD22 LEU 60 2HD2 LEU 60 3.216 -2.735 -3.223 292 HD23 LEU 60 3HD2 LEU 60 2.843 -4.420 -3.595 293 H GLY 61 H GLY 61 0.279 -5.130 -7.965 294 HA2 GLY 61 2HA GLY 61 0.077 -6.897 -9.759 295 HA3 GLY 61 1HA GLY 61 1.436 -7.658 -8.954 296 H PHE 62 H PHE 62 -1.693 -6.248 -7.973 297 HA PHE 62 HA PHE 62 -2.247 -8.755 -6.537 298 HD1 PHE 62 2HD PHE 62 -1.604 -9.145 -4.142 299 HD2 PHE 62 1HD PHE 62 -0.971 -4.983 -4.740 300 HE1 PHE 62 2HE PHE 62 0.371 -9.237 -2.681 301 HE2 PHE 62 1HE PHE 62 0.993 -5.063 -3.277 302 HZ PHE 62 HZ PHE 62 1.675 -7.194 -2.245 303 HB2 PHE 62 2HB PHE 62 -2.815 -5.948 -5.614 304 HB3 PHE 62 1HB PHE 62 -3.465 -7.382 -4.842 305 H ASP 63 H ASP 63 -4.147 -9.655 -6.957 306 HA ASP 63 HA ASP 63 -6.331 -7.898 -7.868 307 HB2 ASP 63 2HB ASP 63 -5.593 -9.615 -9.574 308 HB3 ASP 63 1HB ASP 63 -6.111 -10.862 -8.442 309 H VAL 64 H VAL 64 -7.059 -7.445 -5.822 310 HA VAL 64 HA VAL 64 -7.574 -9.701 -4.011 311 HB VAL 64 HB VAL 64 -7.582 -7.972 -2.210 312 HG11 VAL 64 1HG1 VAL 64 -5.094 -8.198 -3.896 313 HG12 VAL 64 2HG1 VAL 64 -5.618 -9.332 -2.651 314 HG13 VAL 64 3HG1 VAL 64 -5.138 -7.693 -2.207 315 HG21 VAL 64 1HG2 VAL 64 -6.614 -6.192 -4.450 316 HG22 VAL 64 2HG2 VAL 64 -6.563 -5.786 -2.734 317 HG23 VAL 64 3HG2 VAL 64 -8.115 -6.014 -3.540 318 H LYS 65 H LYS 65 -9.120 -7.330 -5.887 319 HA LYS 65 HA LYS 65 -11.272 -6.636 -6.125 320 HB2 LYS 65 2HB LYS 65 -12.089 -8.973 -4.401 321 HB3 LYS 65 1HB LYS 65 -13.041 -8.163 -5.632 322 HG2 LYS 65 2HG LYS 65 -10.581 -9.820 -6.170 323 HG3 LYS 65 1HG LYS 65 -12.237 -10.398 -6.308 324 HD2 LYS 65 2HD LYS 65 -11.559 -9.874 -8.504 325 HD3 LYS 65 1HD LYS 65 -12.592 -8.537 -8.001 326 HE2 LYS 65 2HE LYS 65 -10.719 -7.122 -7.635 327 HE3 LYS 65 1HE LYS 65 -9.591 -8.463 -7.777 328 HZ1 LYS 65 1HZ LYS 65 -10.078 -6.801 -9.755 329 HZ2 LYS 65 2HZ LYS 65 -11.302 -7.931 -10.081 330 HZ3 LYS 65 3HZ LYS 65 -9.677 -8.426 -10.013 331 H LYS 66 H LYS 66 -13.456 -6.677 -4.318 332 HA LYS 66 HA LYS 66 -12.673 -4.511 -2.667 333 HB2 LYS 66 2HB LYS 66 -15.247 -6.025 -2.944 334 HB3 LYS 66 1HB LYS 66 -15.048 -4.772 -1.727 335 HG2 LYS 66 2HG LYS 66 -14.476 -3.168 -3.511 336 HG3 LYS 66 1HG LYS 66 -14.784 -4.426 -4.709 337 HD2 LYS 66 2HD LYS 66 -17.088 -4.569 -4.041 338 HD3 LYS 66 1HD LYS 66 -16.810 -3.459 -2.699 339 HE2 LYS 66 2HE LYS 66 -16.476 -2.755 -5.612 340 HE3 LYS 66 1HE LYS 66 -17.906 -2.392 -4.649 341 HZ1 LYS 66 1HZ LYS 66 -16.418 -0.488 -4.795 342 HZ2 LYS 66 2HZ LYS 66 -15.161 -1.385 -4.101 343 HZ3 LYS 66 3HZ LYS 66 -16.545 -1.026 -3.191 344 HA PRO 67 HA PRO 67 -13.774 -7.575 1.061 345 HB2 PRO 67 2HB PRO 67 -12.639 -10.036 -0.177 346 HB3 PRO 67 1HB PRO 67 -13.992 -9.860 0.948 347 HG2 PRO 67 2HG PRO 67 -14.441 -10.318 -1.625 348 HG3 PRO 67 1HG PRO 67 -15.457 -9.181 -0.719 349 HD2 PRO 67 2HD PRO 67 -13.283 -8.630 -2.688 350 HD3 PRO 67 1HD PRO 67 -14.809 -7.765 -2.419 351 H GLU 68 H GLU 68 -10.965 -8.552 -0.923 352 HA GLU 68 HA GLU 68 -9.332 -8.811 1.427 353 HB2 GLU 68 2HB GLU 68 -8.576 -8.910 -1.496 354 HB3 GLU 68 1HB GLU 68 -7.532 -9.362 -0.158 355 HG2 GLU 68 2HG GLU 68 -10.152 -10.707 -0.766 356 HG3 GLU 68 1HG GLU 68 -8.592 -11.265 -1.370 357 H ILE 69 H ILE 69 -10.182 -6.182 -0.604 358 HA ILE 69 HA ILE 69 -7.597 -4.909 -0.209 359 HB ILE 69 HB ILE 69 -8.848 -4.858 -2.454 360 HG12 ILE 69 2HG1 ILE 69 -7.845 -2.240 -1.324 361 HG13 ILE 69 1HG1 ILE 69 -6.806 -3.552 -1.873 362 HG21 ILE 69 1HG2 ILE 69 -11.012 -4.106 -1.569 363 HG22 ILE 69 2HG2 ILE 69 -10.380 -3.008 -2.795 364 HG23 ILE 69 3HG2 ILE 69 -10.271 -2.579 -1.087 365 HD11 ILE 69 1HD1 ILE 69 -8.749 -1.999 -3.566 366 HD12 ILE 69 2HD1 ILE 69 -7.742 -3.335 -4.124 367 HD13 ILE 69 3HD1 ILE 69 -6.993 -1.836 -3.566 368 H LEU 70 H LEU 70 -10.968 -4.457 0.814 369 HA LEU 70 HA LEU 70 -10.336 -1.908 1.955 370 HG LEU 70 HG LEU 70 -14.290 -3.414 2.672 371 HB2 LEU 70 2HB LEU 70 -12.544 -1.668 2.586 372 HB3 LEU 70 1HB LEU 70 -12.648 -2.631 1.137 373 HD11 LEU 70 1HD1 LEU 70 -13.662 -5.743 3.023 374 HD12 LEU 70 2HD1 LEU 70 -11.984 -5.338 2.655 375 HD13 LEU 70 3HD1 LEU 70 -13.227 -5.165 1.414 376 HD21 LEU 70 1HD2 LEU 70 -13.766 -4.248 4.909 377 HD22 LEU 70 2HD2 LEU 70 -13.373 -2.535 4.741 378 HD23 LEU 70 3HD2 LEU 70 -12.087 -3.746 4.694 379 H GLU 71 H GLU 71 -10.551 -5.207 3.166 380 HA GLU 71 HA GLU 71 -10.269 -4.427 5.903 381 HB2 GLU 71 2HB GLU 71 -11.051 -6.721 4.700 382 HB3 GLU 71 1HB GLU 71 -9.385 -7.133 5.082 383 HG2 GLU 71 2HG GLU 71 -11.390 -6.123 7.086 384 HG3 GLU 71 1HG GLU 71 -11.030 -7.823 6.806 385 H LEU 72 H LEU 72 -8.150 -5.186 3.257 386 HA LEU 72 HA LEU 72 -5.741 -5.529 4.521 387 HG LEU 72 HG LEU 72 -3.736 -5.282 2.959 388 HB2 LEU 72 2HB LEU 72 -6.136 -5.677 2.075 389 HB3 LEU 72 1HB LEU 72 -6.257 -3.933 2.009 390 HD11 LEU 72 1HD1 LEU 72 -4.307 -6.180 0.748 391 HD12 LEU 72 2HD1 LEU 72 -2.895 -5.125 0.684 392 HD13 LEU 72 3HD1 LEU 72 -4.462 -4.534 0.129 393 HD21 LEU 72 1HD2 LEU 72 -4.275 -2.600 1.672 394 HD22 LEU 72 2HD2 LEU 72 -2.701 -3.203 2.194 395 HD23 LEU 72 3HD2 LEU 72 -3.957 -2.874 3.387 396 H MET 73 H MET 73 -7.441 -2.525 3.756 397 HA MET 73 HA MET 73 -5.300 -1.015 5.026 398 HB2 MET 73 2HB MET 73 -6.239 0.946 4.125 399 HB3 MET 73 1HB MET 73 -6.371 -0.261 2.856 400 HG2 MET 73 2HG MET 73 -8.692 -0.517 3.213 401 HG3 MET 73 1HG MET 73 -8.626 0.399 4.722 402 HE1 MET 73 1HE MET 73 -7.639 3.963 3.330 403 HE2 MET 73 2HE MET 73 -6.568 2.654 3.835 404 HE3 MET 73 3HE MET 73 -8.002 3.040 4.790 405 H ASN 74 H ASN 74 -8.354 -2.341 5.737 406 HA ASN 74 HA ASN 74 -9.115 -0.526 7.788 407 HB2 ASN 74 2HB ASN 74 -10.851 -1.845 6.874 408 HB3 ASN 74 1HB ASN 74 -9.942 -3.337 7.088 409 HD21 ASN 74 1HD2 ASN 74 -10.036 -4.403 8.963 410 HD22 ASN 74 2HD2 ASN 74 -11.055 -3.937 10.299 411 H GLU 75 H GLU 75 -7.332 -3.605 7.769 412 HA GLU 75 HA GLU 75 -6.856 -3.635 10.558 413 HB2 GLU 75 2HB GLU 75 -5.039 -5.231 10.043 414 HB3 GLU 75 1HB GLU 75 -6.563 -5.655 9.278 415 HG2 GLU 75 2HG GLU 75 -5.772 -4.808 7.159 416 HG3 GLU 75 1HG GLU 75 -4.273 -4.262 7.907 417 H TYR 76 H TYR 76 -5.156 -2.040 7.895 418 HA TYR 76 HA TYR 76 -2.955 -1.323 9.645 419 HD1 TYR 76 2HD TYR 76 -0.388 -1.364 8.686 420 HD2 TYR 76 1HD TYR 76 -3.224 -3.092 6.036 421 HE1 TYR 76 2HE TYR 76 1.108 -3.293 8.348 422 HE2 TYR 76 1HE TYR 76 -1.744 -5.024 5.687 423 HH TYR 76 HH TYR 76 1.188 -5.470 7.561 424 HB2 TYR 76 2HB TYR 76 -3.489 -0.863 6.727 425 HB3 TYR 76 1HB TYR 76 -2.189 -0.010 7.558 426 H ASP 77 H ASP 77 -5.790 0.269 8.290 427 HA ASP 77 HA ASP 77 -4.936 2.867 9.141 428 HB2 ASP 77 2HB ASP 77 -6.457 2.798 7.285 429 HB3 ASP 77 1HB ASP 77 -7.635 1.877 8.206 430 H ARG 78 H ARG 78 -4.438 2.789 11.181 431 HA ARG 78 HA ARG 78 -5.824 2.032 13.426 432 HE ARG 78 HE ARG 78 -4.323 7.132 11.320 433 HB2 ARG 78 2HB ARG 78 -4.485 3.654 14.594 434 HB3 ARG 78 1HB ARG 78 -3.507 2.984 13.300 435 HG2 ARG 78 2HG ARG 78 -4.883 5.675 13.295 436 HG3 ARG 78 1HG ARG 78 -3.154 5.379 13.483 437 HD2 ARG 78 2HD ARG 78 -3.040 4.486 11.222 438 HD3 ARG 78 1HD ARG 78 -4.782 4.680 11.037 439 HH11 ARG 78 1HH1 ARG 78 -1.950 4.910 10.018 440 HH12 ARG 78 2HH1 ARG 78 -1.126 6.127 9.096 441 HH21 ARG 78 1HH2 ARG 78 -3.241 8.748 10.090 442 HH22 ARG 78 2HH2 ARG 78 -1.858 8.311 9.141 443 H GLU 79 H GLU 79 -6.240 4.340 14.953 444 HA GLU 79 HA GLU 79 -8.848 5.187 14.119 445 HB2 GLU 79 2HB GLU 79 -8.575 6.752 16.158 446 HB3 GLU 79 1HB GLU 79 -8.675 5.020 16.429 447 HG2 GLU 79 2HG GLU 79 -5.992 6.266 16.134 448 HG3 GLU 79 1HG GLU 79 -6.880 6.493 17.641 449 H GLY 80 H GLY 80 -6.484 5.938 12.422 450 HA2 GLY 80 2HA GLY 80 -6.555 8.834 12.438 451 HA3 GLY 80 1HA GLY 80 -5.842 7.808 11.188 452 H ASN 81 H ASN 81 -7.922 6.145 10.675 453 HA ASN 81 HA ASN 81 -9.892 5.816 9.693 454 HB2 ASN 81 2HB ASN 81 -10.692 8.349 11.128 455 HB3 ASN 81 1HB ASN 81 -11.813 7.266 10.313 456 HD21 ASN 81 1HD2 ASN 81 -11.743 8.040 13.096 457 HD22 ASN 81 2HD2 ASN 81 -11.563 6.581 14.012 458 H GLY 82 H GLY 82 -9.227 5.999 7.609 459 HA2 GLY 82 2HA GLY 82 -10.550 7.258 5.765 460 HA3 GLY 82 1HA GLY 82 -9.592 8.619 6.326 461 H TYR 83 H TYR 83 -7.124 7.691 6.659 462 HA TYR 83 HA TYR 83 -6.431 6.405 4.112 463 HD1 TYR 83 2HD TYR 83 -6.396 8.459 1.851 464 HD2 TYR 83 1HD TYR 83 -6.516 10.411 5.625 465 HE1 TYR 83 2HE TYR 83 -7.930 10.139 0.926 466 HE2 TYR 83 1HE TYR 83 -8.056 12.096 4.715 467 HH TYR 83 HH TYR 83 -8.644 13.041 2.482 468 HB2 TYR 83 2HB TYR 83 -4.846 8.731 5.161 469 HB3 TYR 83 1HB TYR 83 -4.745 7.970 3.587 470 H ILE 84 H ILE 84 -4.179 5.739 4.059 471 HA ILE 84 HA ILE 84 -3.239 4.871 6.703 472 HB ILE 84 HB ILE 84 -1.895 3.201 5.439 473 HG12 ILE 84 2HG1 ILE 84 -3.386 4.404 3.102 474 HG13 ILE 84 1HG1 ILE 84 -1.648 4.226 3.301 475 HG21 ILE 84 1HG2 ILE 84 -4.010 2.555 6.406 476 HG22 ILE 84 2HG2 ILE 84 -3.807 1.755 4.845 477 HG23 ILE 84 3HG2 ILE 84 -4.873 3.152 4.989 478 HD11 ILE 84 1HD1 ILE 84 -1.852 1.829 3.086 479 HD12 ILE 84 2HD1 ILE 84 -2.572 2.647 1.698 480 HD13 ILE 84 3HD1 ILE 84 -3.605 1.978 2.964 481 H GLY 85 H GLY 85 -0.847 4.817 6.972 482 HA2 GLY 85 2HA GLY 85 0.280 7.268 5.783 483 HA3 GLY 85 1HA GLY 85 0.765 6.568 7.324 484 H PHE 86 H PHE 86 2.684 7.258 5.500 485 HA PHE 86 HA PHE 86 3.475 5.404 3.632 486 HD1 PHE 86 1HD PHE 86 5.724 5.894 2.042 487 HD2 PHE 86 2HD PHE 86 6.998 6.112 6.098 488 HE1 PHE 86 1HE PHE 86 7.796 4.753 1.454 489 HE2 PHE 86 2HE PHE 86 9.091 4.988 5.504 490 HZ PHE 86 HZ PHE 86 9.498 4.298 3.174 491 HB2 PHE 86 2HB PHE 86 4.674 7.435 3.734 492 HB3 PHE 86 1HB PHE 86 5.066 7.213 5.438 493 H ASP 87 H ASP 87 4.030 5.334 7.125 494 HA ASP 87 HA ASP 87 5.815 3.159 7.161 495 HB2 ASP 87 2HB ASP 87 5.550 4.652 9.073 496 HB3 ASP 87 1HB ASP 87 3.890 4.107 9.292 497 H ASP 88 H ASP 88 2.347 3.339 6.966 498 HA ASP 88 HA ASP 88 1.942 0.533 7.539 499 HB2 ASP 88 2HB ASP 88 -0.077 2.435 6.327 500 HB3 ASP 88 1HB ASP 88 -0.394 0.949 7.215 501 H PHE 89 H PHE 89 2.513 2.566 4.827 502 HA PHE 89 HA PHE 89 1.472 0.874 2.779 503 HD1 PHE 89 2HD PHE 89 0.907 2.106 0.349 504 HD2 PHE 89 1HD PHE 89 5.029 2.752 1.143 505 HE1 PHE 89 2HE PHE 89 1.401 1.774 -2.023 506 HE2 PHE 89 1HE PHE 89 5.545 2.419 -1.239 507 HZ PHE 89 HZ PHE 89 3.820 1.964 -2.816 508 HB2 PHE 89 2HB PHE 89 1.721 3.260 2.400 509 HB3 PHE 89 1HB PHE 89 3.434 3.179 2.795 510 H LEU 90 H LEU 90 4.393 1.234 4.527 511 HA LEU 90 HA LEU 90 6.226 0.087 2.741 512 HG LEU 90 HG LEU 90 8.216 0.945 3.353 513 HB2 LEU 90 2HB LEU 90 6.344 1.434 5.055 514 HB3 LEU 90 1HB LEU 90 6.662 -0.183 5.648 515 HD11 LEU 90 1HD1 LEU 90 9.924 1.646 4.972 516 HD12 LEU 90 2HD1 LEU 90 8.809 1.280 6.288 517 HD13 LEU 90 3HD1 LEU 90 8.426 2.561 5.136 518 HD21 LEU 90 1HD2 LEU 90 8.823 -1.145 5.443 519 HD22 LEU 90 2HD2 LEU 90 9.896 -0.656 4.131 520 HD23 LEU 90 3HD2 LEU 90 8.365 -1.455 3.767 521 H ASP 91 H ASP 91 4.380 -1.282 5.432 522 HA ASP 91 HA ASP 91 5.610 -3.835 5.240 523 HB2 ASP 91 2HB ASP 91 3.656 -2.596 6.972 524 HB3 ASP 91 1HB ASP 91 3.180 -4.233 6.531 525 H ILE 92 H ILE 92 3.531 -2.379 3.186 526 HA ILE 92 HA ILE 92 2.059 -4.776 2.369 527 HB ILE 92 HB ILE 92 2.129 -2.054 1.077 528 HG12 ILE 92 2HG1 ILE 92 0.195 -3.139 3.096 529 HG13 ILE 92 1HG1 ILE 92 1.512 -2.047 3.492 530 HG21 ILE 92 1HG2 ILE 92 -0.059 -2.751 0.175 531 HG22 ILE 92 2HG2 ILE 92 0.163 -4.337 0.918 532 HG23 ILE 92 3HG2 ILE 92 1.255 -3.801 -0.359 533 HD11 ILE 92 1HD1 ILE 92 -0.550 -0.815 3.311 534 HD12 ILE 92 2HD1 ILE 92 -0.860 -1.488 1.710 535 HD13 ILE 92 3HD1 ILE 92 0.493 -0.384 1.957 536 H MET 93 H MET 93 4.575 -2.618 1.223 537 HA MET 93 HA MET 93 5.095 -4.093 -1.154 538 HB2 MET 93 2HB MET 93 6.875 -2.210 0.390 539 HB3 MET 93 1HB MET 93 7.154 -2.777 -1.255 540 HG2 MET 93 2HG MET 93 4.901 -1.790 -1.829 541 HG3 MET 93 1HG MET 93 4.955 -0.993 -0.251 542 HE1 MET 93 1HE MET 93 7.935 -1.841 -2.614 543 HE2 MET 93 2HE MET 93 8.078 -0.375 -3.590 544 HE3 MET 93 3HE MET 93 6.660 -1.413 -3.754 545 H THR 94 H THR 94 5.946 -4.364 2.171 546 HA THR 94 HA THR 94 7.763 -6.575 1.625 547 HB THR 94 HB THR 94 8.177 -6.631 4.010 548 HG1 THR 94 1HG THR 94 7.003 -5.403 5.443 549 HG21 THR 94 1HG2 THR 94 8.063 -3.794 2.996 550 HG22 THR 94 2HG2 THR 94 9.383 -4.938 2.739 551 HG23 THR 94 3HG2 THR 94 9.022 -4.354 4.365 552 H GLU 95 H GLU 95 4.471 -5.967 2.237 553 HA GLU 95 HA GLU 95 3.631 -7.940 3.931 554 HB2 GLU 95 2HB GLU 95 2.190 -6.183 3.015 555 HB3 GLU 95 1HB GLU 95 2.131 -7.038 1.478 556 HG2 GLU 95 2HG GLU 95 0.133 -7.535 2.657 557 HG3 GLU 95 1HG GLU 95 1.150 -8.974 2.740 558 H LYS 96 H LYS 96 3.679 -8.097 0.417 559 HA LYS 96 HA LYS 96 2.750 -10.758 0.460 560 HB2 LYS 96 2HB LYS 96 3.106 -10.558 -2.079 561 HB3 LYS 96 1HB LYS 96 1.900 -9.533 -1.315 562 HG2 LYS 96 2HG LYS 96 3.091 -8.188 -2.848 563 HG3 LYS 96 1HG LYS 96 3.622 -7.720 -1.233 564 HD2 LYS 96 2HD LYS 96 5.534 -9.396 -1.604 565 HD3 LYS 96 1HD LYS 96 5.078 -9.319 -3.306 566 HE2 LYS 96 2HE LYS 96 5.809 -6.960 -1.584 567 HE3 LYS 96 1HE LYS 96 6.881 -7.759 -2.735 568 HZ1 LYS 96 1HZ LYS 96 5.164 -7.230 -4.473 569 HZ2 LYS 96 2HZ LYS 96 5.989 -5.887 -3.841 570 HZ3 LYS 96 3HZ LYS 96 4.412 -6.233 -3.328 571 H ILE 97 H ILE 97 5.899 -9.443 0.610 572 HA ILE 97 HA ILE 97 7.049 -11.908 -0.474 573 HB ILE 97 HB ILE 97 9.275 -10.768 -0.067 574 HG12 ILE 97 2HG1 ILE 97 8.876 -8.155 -0.332 575 HG13 ILE 97 1HG1 ILE 97 7.430 -8.536 0.598 576 HG21 ILE 97 1HG2 ILE 97 9.118 -9.480 -2.160 577 HG22 ILE 97 2HG2 ILE 97 7.362 -9.637 -2.095 578 HG23 ILE 97 3HG2 ILE 97 8.369 -11.074 -2.273 579 HD11 ILE 97 1HD1 ILE 97 8.833 -9.557 2.322 580 HD12 ILE 97 2HD1 ILE 97 9.215 -7.853 2.061 581 HD13 ILE 97 3HD1 ILE 97 10.269 -9.107 1.404 582 H LYS 98 H LYS 98 6.809 -10.095 2.521 583 HA LYS 98 HA LYS 98 8.509 -11.788 4.038 584 HB2 LYS 98 2HB LYS 98 8.281 -9.993 5.350 585 HB3 LYS 98 1HB LYS 98 6.877 -9.444 4.452 586 HG2 LYS 98 2HG LYS 98 5.632 -11.245 5.881 587 HG3 LYS 98 1HG LYS 98 7.024 -11.050 6.952 588 HD2 LYS 98 2HD LYS 98 5.120 -9.554 7.520 589 HD3 LYS 98 1HD LYS 98 6.611 -8.684 7.142 590 HE2 LYS 98 2HE LYS 98 5.828 -8.169 4.931 591 HE3 LYS 98 1HE LYS 98 4.423 -9.213 5.139 592 HZ1 LYS 98 1HZ LYS 98 3.918 -6.823 5.392 593 HZ2 LYS 98 2HZ LYS 98 4.933 -6.755 6.746 594 HZ3 LYS 98 3HZ LYS 98 3.538 -7.717 6.779 595 H ASN 99 H ASN 99 4.997 -11.623 3.553 596 HA ASN 99 HA ASN 99 4.876 -14.410 4.502 597 HB2 ASN 99 2HB ASN 99 3.394 -12.654 5.662 598 HB3 ASN 99 1HB ASN 99 2.486 -12.589 4.153 599 HD21 ASN 99 1HD2 ASN 99 1.236 -14.360 3.542 600 HD22 ASN 99 2HD2 ASN 99 0.846 -15.646 4.639 601 H ARG 100 H ARG 100 5.982 -14.241 2.190 602 HA ARG 100 HA ARG 100 4.300 -13.912 -0.050 603 HE ARG 100 HE ARG 100 9.133 -17.376 0.593 604 HB2 ARG 100 2HB ARG 100 6.098 -14.879 -1.366 605 HB3 ARG 100 1HB ARG 100 6.742 -13.728 -0.205 606 HG2 ARG 100 2HG ARG 100 7.450 -15.552 1.233 607 HG3 ARG 100 1HG ARG 100 6.764 -16.725 0.104 608 HD2 ARG 100 2HD ARG 100 8.293 -15.864 -1.642 609 HD3 ARG 100 1HD ARG 100 9.020 -14.803 -0.438 610 HH11 ARG 100 1HH1 ARG 100 10.413 -15.650 -2.175 611 HH12 ARG 100 2HH1 ARG 100 11.851 -16.621 -2.271 612 HH21 ARG 100 1HH2 ARG 100 11.025 -18.631 0.485 613 HH22 ARG 100 2HH2 ARG 100 12.187 -18.343 -0.777 614 H ASP 101 H ASP 101 4.772 -16.506 2.127 615 HA ASP 101 HA ASP 101 3.191 -18.264 0.381 616 HB2 ASP 101 2HB ASP 101 5.465 -19.121 0.741 617 HB3 ASP 101 1HB ASP 101 5.222 -19.050 2.484 Start of MODEL 11 1 HA LEU 25 HA LEU 25 16.028 -0.978 6.609 2 HG LEU 25 HG LEU 25 13.882 -2.237 6.457 3 H1 LEU 25 1HT LEU 25 14.606 -0.370 8.433 4 H2 LEU 25 2HT LEU 25 14.627 1.257 7.956 5 H3 LEU 25 3HT LEU 25 16.051 0.512 8.492 6 HB2 LEU 25 2HB LEU 25 13.639 0.677 5.774 7 HB3 LEU 25 1HB LEU 25 14.495 -0.424 4.716 8 HD11 LEU 25 1HD1 LEU 25 11.794 -1.796 7.662 9 HD12 LEU 25 2HD1 LEU 25 11.871 -0.106 7.159 10 HD13 LEU 25 3HD1 LEU 25 13.114 -0.769 8.221 11 HD21 LEU 25 1HD2 LEU 25 11.785 -0.957 4.710 12 HD22 LEU 25 2HD2 LEU 25 11.709 -2.592 5.372 13 HD23 LEU 25 3HD2 LEU 25 12.970 -2.167 4.213 14 H SER 26 H SER 26 17.268 -0.400 4.807 15 HA SER 26 HA SER 26 18.418 2.220 4.898 16 HG SER 26 HG SER 26 20.038 0.520 5.363 17 HB2 SER 26 2HB SER 26 18.829 0.040 2.839 18 HB3 SER 26 1HB SER 26 19.890 1.416 3.146 19 H GLU 27 H GLU 27 18.518 3.691 3.106 20 HA GLU 27 HA GLU 27 15.932 4.303 2.184 21 HB2 GLU 27 2HB GLU 27 17.053 6.152 0.956 22 HB3 GLU 27 1HB GLU 27 17.426 6.080 2.676 23 HG2 GLU 27 2HG GLU 27 19.521 4.985 2.185 24 HG3 GLU 27 1HG GLU 27 19.151 5.029 0.464 25 H GLU 28 H GLU 28 18.386 2.362 0.779 26 HA GLU 28 HA GLU 28 17.762 2.684 -1.938 27 HB2 GLU 28 2HB GLU 28 18.722 0.382 -2.209 28 HB3 GLU 28 1HB GLU 28 19.759 1.517 -1.359 29 HG2 GLU 28 2HG GLU 28 19.066 0.529 0.777 30 HG3 GLU 28 1HG GLU 28 18.071 -0.635 -0.100 31 H GLN 29 H GLN 29 16.454 0.416 0.473 32 HA GLN 29 HA GLN 29 14.553 -0.812 -1.162 33 HB2 GLN 29 2HB GLN 29 14.355 -0.220 1.795 34 HB3 GLN 29 1HB GLN 29 13.431 -1.431 0.918 35 HG2 GLN 29 2HG GLN 29 15.735 -2.393 0.286 36 HG3 GLN 29 1HG GLN 29 16.332 -1.413 1.619 37 HE21 GLN 29 1HE2 GLN 29 15.829 -1.979 3.713 38 HE22 GLN 29 2HE2 GLN 29 15.093 -3.490 4.132 39 H LYS 30 H LYS 30 14.490 2.168 0.672 40 HA LYS 30 HA LYS 30 11.771 2.806 0.444 41 HB2 LYS 30 2HB LYS 30 13.995 4.835 0.348 42 HB3 LYS 30 1HB LYS 30 12.381 5.027 1.013 43 HG2 LYS 30 2HG LYS 30 14.157 2.977 2.191 44 HG3 LYS 30 1HG LYS 30 14.477 4.674 2.535 45 HD2 LYS 30 2HD LYS 30 11.753 3.479 2.901 46 HD3 LYS 30 1HD LYS 30 12.986 3.375 4.161 47 HE2 LYS 30 2HE LYS 30 13.224 5.895 3.915 48 HE3 LYS 30 1HE LYS 30 11.732 5.841 2.978 49 HZ1 LYS 30 1HZ LYS 30 12.072 4.964 5.797 50 HZ2 LYS 30 2HZ LYS 30 10.636 4.828 4.909 51 HZ3 LYS 30 3HZ LYS 30 11.266 6.359 5.272 52 H GLN 31 H GLN 31 14.537 3.654 -1.591 53 HA GLN 31 HA GLN 31 13.369 5.376 -3.371 54 HB2 GLN 31 2HB GLN 31 15.467 3.288 -3.974 55 HB3 GLN 31 1HB GLN 31 15.096 4.666 -4.998 56 HG2 GLN 31 2HG GLN 31 16.209 4.748 -2.206 57 HG3 GLN 31 1HG GLN 31 17.073 5.108 -3.703 58 HE21 GLN 31 1HE2 GLN 31 16.684 6.778 -1.377 59 HE22 GLN 31 2HE2 GLN 31 15.871 8.201 -1.920 60 H GLU 32 H GLU 32 13.649 1.848 -3.827 61 HA GLU 32 HA GLU 32 12.221 1.751 -6.252 62 HB2 GLU 32 2HB GLU 32 12.481 -0.414 -4.156 63 HB3 GLU 32 1HB GLU 32 12.063 -0.650 -5.847 64 HG2 GLU 32 2HG GLU 32 14.264 0.122 -6.518 65 HG3 GLU 32 1HG GLU 32 14.689 0.416 -4.831 66 H ILE 33 H ILE 33 11.219 1.445 -2.901 67 HA ILE 33 HA ILE 33 8.570 0.613 -3.482 68 HB ILE 33 HB ILE 33 9.939 1.572 -0.988 69 HG12 ILE 33 2HG1 ILE 33 8.799 -1.075 -1.899 70 HG13 ILE 33 1HG1 ILE 33 10.502 -0.656 -1.753 71 HG21 ILE 33 1HG2 ILE 33 7.936 1.030 0.292 72 HG22 ILE 33 2HG2 ILE 33 7.054 0.730 -1.205 73 HG23 ILE 33 3HG2 ILE 33 7.636 2.354 -0.834 74 HD11 ILE 33 1HD1 ILE 33 10.257 -0.472 0.656 75 HD12 ILE 33 2HD1 ILE 33 9.755 -2.062 0.081 76 HD13 ILE 33 3HD1 ILE 33 8.541 -0.856 0.515 77 H LYS 34 H LYS 34 9.982 3.803 -2.687 78 HA LYS 34 HA LYS 34 7.292 4.871 -2.744 79 HB2 LYS 34 2HB LYS 34 8.189 6.954 -1.944 80 HB3 LYS 34 1HB LYS 34 8.577 5.595 -0.906 81 HG2 LYS 34 2HG LYS 34 10.843 5.564 -1.773 82 HG3 LYS 34 1HG LYS 34 10.450 6.921 -2.849 83 HD2 LYS 34 2HD LYS 34 10.192 8.395 -1.124 84 HD3 LYS 34 1HD LYS 34 9.799 7.105 0.016 85 HE2 LYS 34 2HE LYS 34 12.112 6.475 0.199 86 HE3 LYS 34 1HE LYS 34 12.551 7.507 -1.167 87 HZ1 LYS 34 1HZ LYS 34 11.892 9.442 0.182 88 HZ2 LYS 34 2HZ LYS 34 13.179 8.579 0.870 89 HZ3 LYS 34 3HZ LYS 34 11.611 8.419 1.507 90 H GLU 35 H GLU 35 9.804 4.537 -5.003 91 HA GLU 35 HA GLU 35 9.022 6.764 -6.602 92 HB2 GLU 35 2HB GLU 35 10.063 5.630 -8.477 93 HB3 GLU 35 1HB GLU 35 11.099 5.500 -7.064 94 HG2 GLU 35 2HG GLU 35 10.454 3.223 -6.725 95 HG3 GLU 35 1HG GLU 35 9.242 3.329 -8.005 96 H ALA 36 H ALA 36 7.848 3.534 -6.029 97 HA ALA 36 HA ALA 36 5.621 3.793 -7.825 98 HB1 ALA 36 1HB ALA 36 4.769 1.778 -6.756 99 HB2 ALA 36 2HB ALA 36 6.015 1.895 -5.513 100 HB3 ALA 36 3HB ALA 36 6.468 1.585 -7.190 101 H PHE 37 H PHE 37 6.250 4.447 -4.380 102 HA PHE 37 HA PHE 37 3.590 4.797 -3.585 103 HD1 PHE 37 1HD PHE 37 3.021 4.401 -1.312 104 HD2 PHE 37 2HD PHE 37 5.367 7.940 -1.105 105 HE1 PHE 37 1HE PHE 37 1.552 5.266 0.447 106 HE2 PHE 37 2HE PHE 37 3.903 8.814 0.658 107 HZ PHE 37 HZ PHE 37 1.984 7.480 1.442 108 HB2 PHE 37 2HB PHE 37 5.583 4.641 -2.065 109 HB3 PHE 37 1HB PHE 37 5.994 6.290 -2.529 110 H ASP 38 H ASP 38 5.975 7.165 -4.747 111 HA ASP 38 HA ASP 38 4.305 9.419 -4.638 112 HB2 ASP 38 2HB ASP 38 6.812 9.384 -4.969 113 HB3 ASP 38 1HB ASP 38 6.511 8.961 -6.650 114 H LEU 39 H LEU 39 4.729 6.939 -7.054 115 HA LEU 39 HA LEU 39 3.260 8.133 -9.148 116 HG LEU 39 HG LEU 39 1.930 5.143 -9.783 117 HB2 LEU 39 2HB LEU 39 4.699 6.344 -9.688 118 HB3 LEU 39 1HB LEU 39 4.016 5.310 -8.450 119 HD11 LEU 39 1HD1 LEU 39 3.505 6.649 -11.864 120 HD12 LEU 39 2HD1 LEU 39 2.092 7.249 -10.994 121 HD13 LEU 39 3HD1 LEU 39 1.931 5.888 -12.105 122 HD21 LEU 39 1HD2 LEU 39 4.454 4.357 -11.233 123 HD22 LEU 39 2HD2 LEU 39 2.847 3.686 -11.521 124 HD23 LEU 39 3HD2 LEU 39 3.644 3.428 -9.969 125 H PHE 40 H PHE 40 2.325 5.910 -6.533 126 HA PHE 40 HA PHE 40 -0.402 5.846 -7.504 127 HD1 PHE 40 1HD PHE 40 -0.718 4.009 -8.441 128 HD2 PHE 40 2HD PHE 40 2.067 2.584 -5.562 129 HE1 PHE 40 1HE PHE 40 -0.033 2.236 -9.996 130 HE2 PHE 40 2HE PHE 40 2.763 0.803 -7.113 131 HZ PHE 40 HZ PHE 40 1.710 0.625 -9.333 132 HB2 PHE 40 2HB PHE 40 0.884 4.512 -5.121 133 HB3 PHE 40 1HB PHE 40 -0.793 4.283 -5.613 134 H ASP 41 H ASP 41 1.432 7.657 -5.267 135 HA ASP 41 HA ASP 41 -0.698 8.434 -3.526 136 HB2 ASP 41 2HB ASP 41 1.720 8.552 -2.902 137 HB3 ASP 41 1HB ASP 41 1.933 9.850 -4.069 138 H THR 42 H THR 42 -2.136 8.730 -5.484 139 HA THR 42 HA THR 42 -1.895 11.170 -6.953 140 HB THR 42 HB THR 42 -4.313 10.705 -7.562 141 HG1 THR 42 1HG THR 42 -4.598 9.351 -5.558 142 HG21 THR 42 1HG2 THR 42 -2.305 8.496 -8.021 143 HG22 THR 42 2HG2 THR 42 -2.460 9.972 -8.973 144 HG23 THR 42 3HG2 THR 42 -3.759 8.780 -8.978 145 H ASN 43 H ASN 43 -3.129 10.216 -3.903 146 HA ASN 43 HA ASN 43 -4.308 12.805 -3.355 147 HB2 ASN 43 2HB ASN 43 -5.143 10.713 -2.250 148 HB3 ASN 43 1HB ASN 43 -3.584 10.561 -1.447 149 HD21 ASN 43 1HD2 ASN 43 -4.321 10.781 0.609 150 HD22 ASN 43 2HD2 ASN 43 -5.017 12.241 1.231 151 H LYS 44 H LYS 44 -2.362 13.912 -4.081 152 HA LYS 44 HA LYS 44 0.217 13.385 -3.240 153 HB2 LYS 44 2HB LYS 44 0.701 15.749 -3.923 154 HB3 LYS 44 1HB LYS 44 -0.123 14.774 -5.134 155 HG2 LYS 44 2HG LYS 44 -2.228 15.815 -4.595 156 HG3 LYS 44 1HG LYS 44 -1.476 16.720 -3.283 157 HD2 LYS 44 2HD LYS 44 -0.063 17.883 -4.905 158 HD3 LYS 44 1HD LYS 44 -0.835 16.983 -6.215 159 HE2 LYS 44 2HE LYS 44 -2.983 17.929 -5.635 160 HE3 LYS 44 1HE LYS 44 -2.264 18.776 -4.266 161 HZ1 LYS 44 1HZ LYS 44 -0.993 20.126 -5.758 162 HZ2 LYS 44 2HZ LYS 44 -2.612 20.184 -6.251 163 HZ3 LYS 44 3HZ LYS 44 -1.501 19.231 -7.105 164 H THR 45 H THR 45 0.786 13.206 -1.199 165 HA THR 45 HA THR 45 1.169 15.460 0.410 166 HB THR 45 HB THR 45 -1.317 15.324 0.669 167 HG1 THR 45 1HG THR 45 0.507 15.702 2.518 168 HG21 THR 45 1HG2 THR 45 -2.265 13.561 2.079 169 HG22 THR 45 2HG2 THR 45 -0.701 12.749 2.125 170 HG23 THR 45 3HG2 THR 45 -1.574 12.890 0.600 171 H GLY 46 H GLY 46 1.243 12.103 -0.189 172 HA2 GLY 46 2HA GLY 46 3.057 10.741 0.475 173 HA3 GLY 46 1HA GLY 46 3.346 11.822 1.831 174 H SER 47 H SER 47 0.211 10.578 0.990 175 HA SER 47 HA SER 47 0.278 8.483 2.969 176 HG SER 47 HG SER 47 0.859 10.447 4.237 177 HB2 SER 47 2HB SER 47 -1.631 10.813 3.303 178 HB3 SER 47 1HB SER 47 -1.582 9.359 4.294 179 H ILE 48 H ILE 48 -1.157 6.889 2.402 180 HA ILE 48 HA ILE 48 -2.409 7.404 -0.201 181 HB ILE 48 HB ILE 48 -0.526 5.578 0.332 182 HG12 ILE 48 2HG1 ILE 48 -1.524 4.207 -1.564 183 HG13 ILE 48 1HG1 ILE 48 -2.875 5.333 -1.537 184 HG21 ILE 48 1HG2 ILE 48 -3.097 4.100 0.783 185 HG22 ILE 48 2HG2 ILE 48 -1.818 4.375 1.967 186 HG23 ILE 48 3HG2 ILE 48 -1.509 3.368 0.552 187 HD11 ILE 48 1HD1 ILE 48 -1.282 5.936 -3.257 188 HD12 ILE 48 2HD1 ILE 48 -0.001 6.056 -2.051 189 HD13 ILE 48 3HD1 ILE 48 -1.359 7.181 -2.010 190 H ASP 49 H ASP 49 -4.500 6.928 -0.594 191 HA ASP 49 HA ASP 49 -6.069 5.720 1.582 192 HB2 ASP 49 2HB ASP 49 -6.726 8.029 0.780 193 HB3 ASP 49 1HB ASP 49 -7.072 7.325 -0.791 194 H TYR 50 H TYR 50 -7.688 4.092 0.853 195 HA TYR 50 HA TYR 50 -6.372 2.379 -1.040 196 HD1 TYR 50 2HD TYR 50 -5.875 2.510 1.698 197 HD2 TYR 50 1HD TYR 50 -7.509 -1.105 0.179 198 HE1 TYR 50 2HE TYR 50 -4.080 1.246 2.799 199 HE2 TYR 50 1HE TYR 50 -5.714 -2.382 1.268 200 HH TYR 50 HH TYR 50 -3.411 -1.989 2.094 201 HB2 TYR 50 2HB TYR 50 -8.552 2.008 0.930 202 HB3 TYR 50 1HB TYR 50 -8.485 0.897 -0.438 203 H HIS 51 H HIS 51 -8.581 4.803 -1.381 204 HA HIS 51 HA HIS 51 -10.135 3.841 -3.523 205 HD1 HIS 51 1HD HIS 51 -10.455 6.116 -0.500 206 HD2 HIS 51 2HD HIS 51 -12.809 5.927 -3.929 207 HE1 HIS 51 1HE HIS 51 -12.838 6.182 0.302 208 HE2 HIS 51 2HE HIS 51 -14.243 5.886 -1.772 209 HB2 HIS 51 2HB HIS 51 -9.188 6.590 -2.751 210 HB3 HIS 51 1HB HIS 51 -10.091 6.328 -4.244 211 H GLU 52 H GLU 52 -6.918 5.417 -3.479 212 HA GLU 52 HA GLU 52 -6.605 4.677 -6.286 213 HB2 GLU 52 2HB GLU 52 -4.333 5.800 -6.043 214 HB3 GLU 52 1HB GLU 52 -5.754 6.826 -5.956 215 HG2 GLU 52 2HG GLU 52 -4.590 5.796 -3.423 216 HG3 GLU 52 1HG GLU 52 -3.759 7.095 -4.281 217 H LEU 53 H LEU 53 -6.087 3.224 -3.327 218 HA LEU 53 HA LEU 53 -3.721 1.764 -3.844 219 HG LEU 53 HG LEU 53 -4.305 -0.024 -0.696 220 HB2 LEU 53 2HB LEU 53 -5.542 1.841 -1.782 221 HB3 LEU 53 1HB LEU 53 -5.845 0.265 -2.474 222 HD11 LEU 53 1HD1 LEU 53 -2.799 -0.127 -3.289 223 HD12 LEU 53 2HD1 LEU 53 -3.811 -1.398 -2.603 224 HD13 LEU 53 3HD1 LEU 53 -2.321 -0.924 -1.789 225 HD21 LEU 53 1HD2 LEU 53 -2.159 1.154 -0.586 226 HD22 LEU 53 2HD2 LEU 53 -3.532 2.255 -0.473 227 HD23 LEU 53 3HD2 LEU 53 -2.633 2.119 -1.985 228 H LYS 54 H LYS 54 -6.892 1.622 -5.148 229 HA LYS 54 HA LYS 54 -6.998 -1.038 -6.013 230 HB2 LYS 54 2HB LYS 54 -8.266 1.466 -7.106 231 HB3 LYS 54 1HB LYS 54 -8.631 -0.144 -7.713 232 HG2 LYS 54 2HG LYS 54 -9.448 -0.809 -5.517 233 HG3 LYS 54 1HG LYS 54 -9.028 0.779 -4.873 234 HD2 LYS 54 2HD LYS 54 -11.442 0.564 -5.410 235 HD3 LYS 54 1HD LYS 54 -10.641 1.856 -6.305 236 HE2 LYS 54 2HE LYS 54 -12.090 0.672 -7.802 237 HE3 LYS 54 1HE LYS 54 -10.421 0.310 -8.233 238 HZ1 LYS 54 1HZ LYS 54 -11.580 -1.711 -8.308 239 HZ2 LYS 54 2HZ LYS 54 -12.357 -1.435 -6.830 240 HZ3 LYS 54 3HZ LYS 54 -10.691 -1.767 -6.865 241 H VAL 55 H VAL 55 -5.296 1.725 -7.332 242 HA VAL 55 HA VAL 55 -4.712 0.285 -9.792 243 HB VAL 55 HB VAL 55 -3.549 2.259 -10.559 244 HG11 VAL 55 1HG1 VAL 55 -5.393 3.902 -10.499 245 HG12 VAL 55 2HG1 VAL 55 -6.180 2.932 -9.254 246 HG13 VAL 55 3HG1 VAL 55 -5.936 2.265 -10.868 247 HG21 VAL 55 1HG2 VAL 55 -3.389 4.295 -9.205 248 HG22 VAL 55 2HG2 VAL 55 -2.481 2.959 -8.499 249 HG23 VAL 55 3HG2 VAL 55 -4.044 3.416 -7.822 250 H ALA 56 H ALA 56 -3.453 0.677 -6.681 251 HA ALA 56 HA ALA 56 -0.727 0.016 -7.394 252 HB1 ALA 56 1HB ALA 56 -1.152 1.447 -5.465 253 HB2 ALA 56 2HB ALA 56 -0.339 -0.040 -4.976 254 HB3 ALA 56 3HB ALA 56 -2.069 0.154 -4.694 255 H MET 57 H MET 57 -3.460 -1.545 -5.734 256 HA MET 57 HA MET 57 -2.383 -4.062 -5.318 257 HB2 MET 57 2HB MET 57 -5.230 -3.392 -6.086 258 HB3 MET 57 1HB MET 57 -4.698 -4.915 -5.386 259 HG2 MET 57 2HG MET 57 -4.484 -2.228 -4.054 260 HG3 MET 57 1HG MET 57 -5.740 -3.423 -3.770 261 HE1 MET 57 1HE MET 57 -4.695 -6.135 -3.411 262 HE2 MET 57 2HE MET 57 -5.651 -5.279 -2.202 263 HE3 MET 57 3HE MET 57 -4.188 -6.143 -1.719 264 H ARG 58 H ARG 58 -3.814 -2.753 -8.282 265 HA ARG 58 HA ARG 58 -3.763 -5.238 -9.656 266 HE ARG 58 HE ARG 58 -3.466 -2.702 -13.505 267 HB2 ARG 58 2HB ARG 58 -4.205 -3.992 -11.682 268 HB3 ARG 58 1HB ARG 58 -5.209 -3.374 -10.382 269 HG2 ARG 58 2HG ARG 58 -3.822 -1.443 -10.140 270 HG3 ARG 58 1HG ARG 58 -2.642 -2.090 -11.280 271 HD2 ARG 58 2HD ARG 58 -5.498 -1.364 -11.928 272 HD3 ARG 58 1HD ARG 58 -4.079 -0.391 -12.317 273 HH11 ARG 58 1HH1 ARG 58 -6.356 -0.727 -13.622 274 HH12 ARG 58 2HH1 ARG 58 -6.863 -1.341 -15.170 275 HH21 ARG 58 1HH2 ARG 58 -4.090 -3.480 -15.521 276 HH22 ARG 58 2HH2 ARG 58 -5.553 -2.903 -16.267 277 H ALA 59 H ALA 59 -1.480 -2.554 -9.376 278 HA ALA 59 HA ALA 59 0.388 -3.529 -11.272 279 HB1 ALA 59 1HB ALA 59 0.880 -1.764 -8.874 280 HB2 ALA 59 2HB ALA 59 0.391 -1.212 -10.477 281 HB3 ALA 59 3HB ALA 59 1.964 -1.978 -10.249 282 H LEU 60 H LEU 60 -0.118 -4.132 -7.857 283 HA LEU 60 HA LEU 60 2.203 -5.761 -7.501 284 HG LEU 60 HG LEU 60 0.763 -3.499 -5.978 285 HB2 LEU 60 2HB LEU 60 -0.374 -5.766 -5.936 286 HB3 LEU 60 1HB LEU 60 1.159 -6.433 -5.414 287 HD11 LEU 60 1HD1 LEU 60 -0.774 -4.271 -4.231 288 HD12 LEU 60 2HD1 LEU 60 0.481 -3.207 -3.588 289 HD13 LEU 60 3HD1 LEU 60 0.590 -4.952 -3.345 290 HD21 LEU 60 1HD2 LEU 60 3.078 -4.328 -6.013 291 HD22 LEU 60 2HD2 LEU 60 2.852 -5.006 -4.401 292 HD23 LEU 60 3HD2 LEU 60 2.785 -3.260 -4.641 293 H GLY 61 H GLY 61 -1.189 -6.332 -8.241 294 HA2 GLY 61 2HA GLY 61 -1.782 -8.063 -9.784 295 HA3 GLY 61 1HA GLY 61 -0.448 -9.022 -9.168 296 H PHE 62 H PHE 62 -3.291 -7.371 -7.778 297 HA PHE 62 HA PHE 62 -4.010 -9.938 -6.525 298 HD1 PHE 62 2HD PHE 62 -3.016 -10.507 -4.408 299 HD2 PHE 62 1HD PHE 62 -2.464 -6.291 -4.451 300 HE1 PHE 62 2HE PHE 62 -0.879 -10.786 -3.240 301 HE2 PHE 62 1HE PHE 62 -0.315 -6.558 -3.280 302 HZ PHE 62 HZ PHE 62 0.438 -8.737 -2.579 303 HB2 PHE 62 2HB PHE 62 -4.377 -7.176 -5.345 304 HB3 PHE 62 1HB PHE 62 -4.961 -8.672 -4.629 305 H ASP 63 H ASP 63 -6.201 -10.421 -6.389 306 HA ASP 63 HA ASP 63 -8.006 -8.657 -7.908 307 HB2 ASP 63 2HB ASP 63 -7.720 -11.047 -8.692 308 HB3 ASP 63 1HB ASP 63 -8.462 -11.556 -7.179 309 H VAL 64 H VAL 64 -8.854 -7.279 -6.440 310 HA VAL 64 HA VAL 64 -9.886 -8.419 -3.935 311 HB VAL 64 HB VAL 64 -9.110 -6.267 -2.800 312 HG11 VAL 64 1HG1 VAL 64 -7.059 -8.269 -3.751 313 HG12 VAL 64 2HG1 VAL 64 -8.117 -8.452 -2.352 314 HG13 VAL 64 3HG1 VAL 64 -6.880 -7.195 -2.365 315 HG21 VAL 64 1HG2 VAL 64 -7.131 -5.209 -3.799 316 HG22 VAL 64 2HG2 VAL 64 -8.559 -5.017 -4.816 317 HG23 VAL 64 3HG2 VAL 64 -7.332 -6.211 -5.237 318 H LYS 65 H LYS 65 -10.080 -5.777 -6.245 319 HA LYS 65 HA LYS 65 -11.680 -4.209 -6.669 320 HB2 LYS 65 2HB LYS 65 -13.464 -6.311 -5.430 321 HB3 LYS 65 1HB LYS 65 -14.033 -4.916 -6.336 322 HG2 LYS 65 2HG LYS 65 -13.666 -5.910 -8.290 323 HG3 LYS 65 1HG LYS 65 -12.059 -6.458 -7.804 324 HD2 LYS 65 2HD LYS 65 -14.601 -7.772 -6.874 325 HD3 LYS 65 1HD LYS 65 -13.734 -8.274 -8.327 326 HE2 LYS 65 2HE LYS 65 -11.825 -8.903 -7.080 327 HE3 LYS 65 1HE LYS 65 -12.415 -8.101 -5.623 328 HZ1 LYS 65 1HZ LYS 65 -14.018 -9.758 -5.297 329 HZ2 LYS 65 2HZ LYS 65 -12.626 -10.617 -5.751 330 HZ3 LYS 65 3HZ LYS 65 -13.868 -10.365 -6.873 331 H LYS 66 H LYS 66 -14.052 -3.574 -5.193 332 HA LYS 66 HA LYS 66 -12.857 -1.934 -3.185 333 HB2 LYS 66 2HB LYS 66 -14.735 -1.185 -4.629 334 HB3 LYS 66 1HB LYS 66 -15.797 -2.290 -3.768 335 HG2 LYS 66 2HG LYS 66 -15.425 -1.087 -1.697 336 HG3 LYS 66 1HG LYS 66 -14.276 -0.018 -2.499 337 HD2 LYS 66 2HD LYS 66 -16.342 1.154 -2.338 338 HD3 LYS 66 1HD LYS 66 -16.143 0.683 -4.026 339 HE2 LYS 66 2HE LYS 66 -18.414 0.284 -3.358 340 HE3 LYS 66 1HE LYS 66 -17.606 -1.262 -3.610 341 HZ1 LYS 66 1HZ LYS 66 -19.018 -1.131 -1.581 342 HZ2 LYS 66 2HZ LYS 66 -17.927 -0.000 -0.942 343 HZ3 LYS 66 3HZ LYS 66 -17.415 -1.581 -1.278 344 HA PRO 67 HA PRO 67 -15.832 -4.636 -0.250 345 HB2 PRO 67 2HB PRO 67 -15.519 -7.323 -0.960 346 HB3 PRO 67 1HB PRO 67 -16.966 -6.343 -1.208 347 HG2 PRO 67 2HG PRO 67 -14.769 -7.002 -3.118 348 HG3 PRO 67 1HG PRO 67 -16.513 -6.857 -3.413 349 HD2 PRO 67 2HD PRO 67 -14.847 -4.919 -4.156 350 HD3 PRO 67 1HD PRO 67 -16.432 -4.526 -3.451 351 H GLU 68 H GLU 68 -13.022 -6.277 -1.723 352 HA GLU 68 HA GLU 68 -12.099 -7.122 0.860 353 HB2 GLU 68 2HB GLU 68 -10.525 -7.160 -1.715 354 HB3 GLU 68 1HB GLU 68 -10.249 -8.132 -0.278 355 HG2 GLU 68 2HG GLU 68 -12.461 -8.373 -2.289 356 HG3 GLU 68 1HG GLU 68 -11.227 -9.558 -1.869 357 H ILE 69 H ILE 69 -11.716 -4.321 -1.111 358 HA ILE 69 HA ILE 69 -9.067 -3.714 -0.240 359 HB ILE 69 HB ILE 69 -10.379 -2.963 -2.429 360 HG12 ILE 69 2HG1 ILE 69 -8.656 -1.140 -2.668 361 HG13 ILE 69 1HG1 ILE 69 -8.196 -1.468 -0.999 362 HG21 ILE 69 1HG2 ILE 69 -10.676 -0.575 -0.618 363 HG22 ILE 69 2HG2 ILE 69 -11.984 -1.507 -1.350 364 HG23 ILE 69 3HG2 ILE 69 -10.893 -0.563 -2.367 365 HD11 ILE 69 1HD1 ILE 69 -6.739 -2.595 -2.579 366 HD12 ILE 69 2HD1 ILE 69 -8.127 -3.452 -3.258 367 HD13 ILE 69 3HD1 ILE 69 -7.628 -3.753 -1.594 368 H LEU 70 H LEU 70 -12.291 -2.492 0.713 369 HA LEU 70 HA LEU 70 -11.056 -0.553 2.422 370 HG LEU 70 HG LEU 70 -15.332 -0.913 2.500 371 HB2 LEU 70 2HB LEU 70 -13.178 0.172 3.086 372 HB3 LEU 70 1HB LEU 70 -13.341 -0.249 1.401 373 HD11 LEU 70 1HD1 LEU 70 -13.640 -3.362 2.097 374 HD12 LEU 70 2HD1 LEU 70 -14.529 -2.485 0.847 375 HD13 LEU 70 3HD1 LEU 70 -15.405 -3.308 2.138 376 HD21 LEU 70 1HD2 LEU 70 -14.517 -0.940 4.799 377 HD22 LEU 70 2HD2 LEU 70 -13.634 -2.437 4.471 378 HD23 LEU 70 3HD2 LEU 70 -15.400 -2.419 4.415 379 H GLU 71 H GLU 71 -12.282 -3.830 2.826 380 HA GLU 71 HA GLU 71 -12.024 -3.722 5.683 381 HB2 GLU 71 2HB GLU 71 -13.549 -5.337 4.637 382 HB3 GLU 71 1HB GLU 71 -12.185 -6.129 3.857 383 HG2 GLU 71 2HG GLU 71 -13.049 -7.273 5.905 384 HG3 GLU 71 1HG GLU 71 -11.327 -6.898 5.926 385 H LEU 72 H LEU 72 -9.971 -4.579 2.987 386 HA LEU 72 HA LEU 72 -7.972 -5.862 4.414 387 HG LEU 72 HG LEU 72 -5.898 -6.275 3.160 388 HB2 LEU 72 2HB LEU 72 -8.177 -5.741 1.921 389 HB3 LEU 72 1HB LEU 72 -7.582 -4.097 2.000 390 HD11 LEU 72 1HD1 LEU 72 -4.888 -6.664 0.962 391 HD12 LEU 72 2HD1 LEU 72 -6.111 -5.635 0.218 392 HD13 LEU 72 3HD1 LEU 72 -6.584 -7.151 0.984 393 HD21 LEU 72 1HD2 LEU 72 -5.277 -3.747 1.636 394 HD22 LEU 72 2HD2 LEU 72 -4.099 -4.820 2.397 395 HD23 LEU 72 3HD2 LEU 72 -5.245 -3.918 3.391 396 H MET 73 H MET 73 -8.795 -2.513 4.129 397 HA MET 73 HA MET 73 -6.260 -1.715 5.366 398 HB2 MET 73 2HB MET 73 -6.726 0.502 4.739 399 HB3 MET 73 1HB MET 73 -7.221 -0.470 3.361 400 HG2 MET 73 2HG MET 73 -9.535 -0.273 4.010 401 HG3 MET 73 1HG MET 73 -9.074 0.606 5.471 402 HE1 MET 73 1HE MET 73 -7.509 2.846 5.258 403 HE2 MET 73 2HE MET 73 -7.282 3.710 3.735 404 HE3 MET 73 3HE MET 73 -6.549 2.120 3.967 405 H ASN 74 H ASN 74 -9.612 -2.142 5.969 406 HA ASN 74 HA ASN 74 -10.002 -0.565 8.225 407 HB2 ASN 74 2HB ASN 74 -11.813 -1.695 7.052 408 HB3 ASN 74 1HB ASN 74 -11.166 -3.265 7.508 409 HD21 ASN 74 1HD2 ASN 74 -12.896 -3.951 8.552 410 HD22 ASN 74 2HD2 ASN 74 -13.471 -3.272 10.047 411 H GLU 75 H GLU 75 -8.953 -3.989 8.025 412 HA GLU 75 HA GLU 75 -8.155 -4.261 10.684 413 HB2 GLU 75 2HB GLU 75 -7.010 -5.479 8.176 414 HB3 GLU 75 1HB GLU 75 -6.477 -5.931 9.787 415 HG2 GLU 75 2HG GLU 75 -8.855 -6.544 10.294 416 HG3 GLU 75 1HG GLU 75 -9.205 -6.300 8.582 417 H TYR 76 H TYR 76 -6.248 -3.002 7.933 418 HA TYR 76 HA TYR 76 -3.831 -2.886 9.459 419 HD1 TYR 76 1HD TYR 76 -5.127 -4.660 7.493 420 HD2 TYR 76 2HD TYR 76 -1.435 -2.903 6.329 421 HE1 TYR 76 1HE TYR 76 -4.311 -6.866 6.753 422 HE2 TYR 76 2HE TYR 76 -0.609 -5.097 5.588 423 HH TYR 76 HH TYR 76 -2.706 -7.954 5.594 424 HB2 TYR 76 2HB TYR 76 -4.591 -1.953 6.712 425 HB3 TYR 76 1HB TYR 76 -3.014 -1.587 7.397 426 H ASP 77 H ASP 77 -5.805 -0.248 8.033 427 HA ASP 77 HA ASP 77 -3.982 1.732 9.027 428 HB2 ASP 77 2HB ASP 77 -5.000 3.137 7.577 429 HB3 ASP 77 1HB ASP 77 -5.714 1.663 6.934 430 H ARG 78 H ARG 78 -6.309 0.031 10.568 431 HA ARG 78 HA ARG 78 -7.991 1.959 11.674 432 HE ARG 78 HE ARG 78 -9.137 1.025 10.590 433 HB2 ARG 78 2HB ARG 78 -8.155 -0.641 11.569 434 HB3 ARG 78 1HB ARG 78 -7.371 -0.566 13.139 435 HG2 ARG 78 2HG ARG 78 -9.927 -0.678 13.052 436 HG3 ARG 78 1HG ARG 78 -9.174 0.491 14.135 437 HD2 ARG 78 2HD ARG 78 -11.168 1.227 12.658 438 HD3 ARG 78 1HD ARG 78 -9.781 2.293 12.832 439 HH11 ARG 78 1HH1 ARG 78 -12.281 2.188 11.563 440 HH12 ARG 78 2HH1 ARG 78 -12.692 2.791 9.985 441 HH21 ARG 78 1HH2 ARG 78 -9.643 1.842 8.501 442 HH22 ARG 78 2HH2 ARG 78 -11.212 2.573 8.244 443 H GLU 79 H GLU 79 -6.971 3.637 12.434 444 HA GLU 79 HA GLU 79 -6.426 3.925 15.103 445 HB2 GLU 79 2HB GLU 79 -4.026 4.277 15.237 446 HB3 GLU 79 1HB GLU 79 -4.335 2.634 14.698 447 HG2 GLU 79 2HG GLU 79 -3.572 3.054 12.558 448 HG3 GLU 79 1HG GLU 79 -3.816 4.795 12.701 449 H GLY 80 H GLY 80 -5.869 4.876 11.802 450 HA2 GLY 80 2HA GLY 80 -5.747 7.705 12.468 451 HA3 GLY 80 1HA GLY 80 -5.623 6.995 10.861 452 H ASN 81 H ASN 81 -7.584 6.206 9.845 453 HA ASN 81 HA ASN 81 -10.142 6.588 10.876 454 HB2 ASN 81 2HB ASN 81 -10.887 8.665 9.977 455 HB3 ASN 81 1HB ASN 81 -9.398 8.989 10.860 456 HD21 ASN 81 1HD2 ASN 81 -10.947 8.940 7.781 457 HD22 ASN 81 2HD2 ASN 81 -9.675 9.706 6.892 458 H GLY 82 H GLY 82 -8.056 6.547 8.059 459 HA2 GLY 82 2HA GLY 82 -9.344 4.460 6.816 460 HA3 GLY 82 1HA GLY 82 -10.132 5.906 6.211 461 H TYR 83 H TYR 83 -6.689 5.576 7.006 462 HA TYR 83 HA TYR 83 -5.890 4.983 4.362 463 HD1 TYR 83 1HD TYR 83 -6.954 8.794 6.101 464 HD2 TYR 83 2HD TYR 83 -3.016 7.858 4.791 465 HE1 TYR 83 1HE TYR 83 -6.054 10.604 7.508 466 HE2 TYR 83 2HE TYR 83 -2.110 9.654 6.192 467 HH TYR 83 HH TYR 83 -3.911 11.224 8.592 468 HB2 TYR 83 2HB TYR 83 -4.901 6.997 3.621 469 HB3 TYR 83 1HB TYR 83 -6.539 7.388 4.084 470 H ILE 84 H ILE 84 -3.469 5.206 4.109 471 HA ILE 84 HA ILE 84 -2.210 4.725 6.729 472 HB ILE 84 HB ILE 84 -0.959 2.907 5.871 473 HG12 ILE 84 2HG1 ILE 84 -1.817 3.965 3.239 474 HG13 ILE 84 1HG1 ILE 84 -0.249 3.351 3.752 475 HG21 ILE 84 1HG2 ILE 84 -3.771 2.641 4.832 476 HG22 ILE 84 2HG2 ILE 84 -3.264 2.369 6.501 477 HG23 ILE 84 3HG2 ILE 84 -2.680 1.309 5.216 478 HD11 ILE 84 1HD1 ILE 84 -1.205 1.885 2.114 479 HD12 ILE 84 2HD1 ILE 84 -2.683 1.738 3.068 480 HD13 ILE 84 3HD1 ILE 84 -1.167 1.064 3.676 481 H GLY 85 H GLY 85 0.113 5.013 6.753 482 HA2 GLY 85 2HA GLY 85 0.974 7.122 4.889 483 HA3 GLY 85 1HA GLY 85 1.643 6.849 6.495 484 H PHE 86 H PHE 86 3.385 7.088 4.442 485 HA PHE 86 HA PHE 86 4.032 4.862 2.938 486 HD1 PHE 86 1HD PHE 86 5.407 4.720 1.183 487 HD2 PHE 86 2HD PHE 86 8.113 6.655 3.829 488 HE1 PHE 86 1HE PHE 86 7.290 3.681 0.011 489 HE2 PHE 86 2HE PHE 86 10.004 5.619 2.661 490 HZ PHE 86 HZ PHE 86 9.600 4.123 0.744 491 HB2 PHE 86 2HB PHE 86 5.016 7.083 2.616 492 HB3 PHE 86 1HB PHE 86 5.878 6.933 4.144 493 H ASP 87 H ASP 87 4.700 5.563 6.297 494 HA ASP 87 HA ASP 87 6.664 3.616 6.794 495 HB2 ASP 87 2HB ASP 87 4.570 4.707 8.684 496 HB3 ASP 87 1HB ASP 87 6.032 3.848 9.158 497 H ASP 88 H ASP 88 3.199 3.375 6.509 498 HA ASP 88 HA ASP 88 3.153 0.653 7.556 499 HB2 ASP 88 2HB ASP 88 1.274 2.164 8.072 500 HB3 ASP 88 1HB ASP 88 0.934 2.323 6.351 501 H PHE 89 H PHE 89 2.843 2.385 4.519 502 HA PHE 89 HA PHE 89 2.034 0.241 2.891 503 HD1 PHE 89 2HD PHE 89 1.028 0.839 0.374 504 HD2 PHE 89 1HD PHE 89 4.880 2.618 0.569 505 HE1 PHE 89 2HE PHE 89 1.399 0.291 -1.991 506 HE2 PHE 89 1HE PHE 89 5.268 2.081 -1.784 507 HZ PHE 89 HZ PHE 89 3.521 0.912 -3.084 508 HB2 PHE 89 2HB PHE 89 1.721 2.507 2.164 509 HB3 PHE 89 1HB PHE 89 3.439 2.854 2.336 510 H LEU 90 H LEU 90 5.103 1.314 4.048 511 HA LEU 90 HA LEU 90 6.819 0.109 2.200 512 HG LEU 90 HG LEU 90 8.511 1.562 2.408 513 HB2 LEU 90 2HB LEU 90 7.013 1.633 4.492 514 HB3 LEU 90 1HB LEU 90 7.800 0.129 4.935 515 HD11 LEU 90 1HD1 LEU 90 9.720 1.986 5.135 516 HD12 LEU 90 2HD1 LEU 90 8.787 3.165 4.210 517 HD13 LEU 90 3HD1 LEU 90 10.355 2.618 3.616 518 HD21 LEU 90 1HD2 LEU 90 10.609 0.349 2.688 519 HD22 LEU 90 2HD2 LEU 90 9.232 -0.754 2.648 520 HD23 LEU 90 3HD2 LEU 90 10.004 -0.359 4.186 521 H ASP 91 H ASP 91 5.455 -1.064 5.224 522 HA ASP 91 HA ASP 91 6.916 -3.512 5.258 523 HB2 ASP 91 2HB ASP 91 5.989 -2.311 7.223 524 HB3 ASP 91 1HB ASP 91 4.388 -2.843 6.757 525 H ILE 92 H ILE 92 4.533 -2.468 3.374 526 HA ILE 92 HA ILE 92 3.021 -4.953 3.043 527 HB ILE 92 HB ILE 92 2.863 -2.222 1.798 528 HG12 ILE 92 2HG1 ILE 92 2.455 -2.463 4.246 529 HG13 ILE 92 1HG1 ILE 92 1.122 -1.776 3.317 530 HG21 ILE 92 1HG2 ILE 92 0.656 -2.910 0.965 531 HG22 ILE 92 2HG2 ILE 92 0.924 -4.529 1.609 532 HG23 ILE 92 3HG2 ILE 92 1.941 -3.921 0.304 533 HD11 ILE 92 1HD1 ILE 92 0.341 -3.361 4.983 534 HD12 ILE 92 2HD1 ILE 92 1.343 -4.618 4.252 535 HD13 ILE 92 3HD1 ILE 92 -0.005 -3.927 3.351 536 H MET 93 H MET 93 4.985 -2.676 1.168 537 HA MET 93 HA MET 93 5.279 -4.427 -1.040 538 HB2 MET 93 2HB MET 93 6.907 -2.077 -0.105 539 HB3 MET 93 1HB MET 93 7.245 -2.952 -1.596 540 HG2 MET 93 2HG MET 93 4.748 -2.450 -2.127 541 HG3 MET 93 1HG MET 93 4.938 -1.195 -0.905 542 HE1 MET 93 1HE MET 93 7.377 -1.426 -4.806 543 HE2 MET 93 2HE MET 93 6.062 -2.528 -4.396 544 HE3 MET 93 3HE MET 93 7.568 -2.572 -3.478 545 H THR 94 H THR 94 6.697 -4.173 2.087 546 HA THR 94 HA THR 94 8.605 -6.298 1.408 547 HB THR 94 HB THR 94 9.428 -6.073 3.712 548 HG1 THR 94 1HG THR 94 8.389 -4.936 5.159 549 HG21 THR 94 1HG2 THR 94 10.434 -4.691 1.975 550 HG22 THR 94 2HG2 THR 94 10.372 -3.805 3.498 551 HG23 THR 94 3HG2 THR 94 9.199 -3.456 2.226 552 H GLU 95 H GLU 95 5.401 -6.087 2.231 553 HA GLU 95 HA GLU 95 5.233 -7.988 4.321 554 HB2 GLU 95 2HB GLU 95 3.409 -6.421 3.927 555 HB3 GLU 95 1HB GLU 95 3.088 -7.185 2.369 556 HG2 GLU 95 2HG GLU 95 2.499 -9.252 3.474 557 HG3 GLU 95 1HG GLU 95 2.922 -8.565 5.039 558 H LYS 96 H LYS 96 4.346 -8.198 0.916 559 HA LYS 96 HA LYS 96 3.586 -10.873 1.120 560 HB2 LYS 96 2HB LYS 96 3.609 -10.738 -1.455 561 HB3 LYS 96 1HB LYS 96 2.501 -9.708 -0.564 562 HG2 LYS 96 2HG LYS 96 3.465 -8.403 -2.294 563 HG3 LYS 96 1HG LYS 96 4.180 -7.864 -0.773 564 HD2 LYS 96 2HD LYS 96 6.022 -9.617 -1.360 565 HD3 LYS 96 1HD LYS 96 5.398 -9.431 -2.998 566 HE2 LYS 96 2HE LYS 96 6.256 -7.131 -1.263 567 HE3 LYS 96 1HE LYS 96 7.328 -7.953 -2.395 568 HZ1 LYS 96 1HZ LYS 96 4.881 -6.412 -3.042 569 HZ2 LYS 96 2HZ LYS 96 5.671 -7.394 -4.170 570 HZ3 LYS 96 3HZ LYS 96 6.476 -6.057 -3.499 571 H ILE 97 H ILE 97 6.713 -9.550 0.804 572 HA ILE 97 HA ILE 97 7.778 -12.002 -0.377 573 HB ILE 97 HB ILE 97 10.014 -10.775 -0.150 574 HG12 ILE 97 2HG1 ILE 97 9.558 -8.205 -0.374 575 HG13 ILE 97 1HG1 ILE 97 8.116 -8.590 0.564 576 HG21 ILE 97 1HG2 ILE 97 8.938 -11.167 -2.272 577 HG22 ILE 97 2HG2 ILE 97 9.637 -9.548 -2.246 578 HG23 ILE 97 3HG2 ILE 97 7.899 -9.762 -2.034 579 HD11 ILE 97 1HD1 ILE 97 9.535 -9.609 2.282 580 HD12 ILE 97 2HD1 ILE 97 9.896 -7.898 2.026 581 HD13 ILE 97 3HD1 ILE 97 10.962 -9.134 1.359 582 H LYS 98 H LYS 98 7.547 -10.375 2.667 583 HA LYS 98 HA LYS 98 9.481 -12.114 3.939 584 HB2 LYS 98 2HB LYS 98 9.587 -10.305 5.250 585 HB3 LYS 98 1HB LYS 98 8.123 -9.642 4.550 586 HG2 LYS 98 2HG LYS 98 6.914 -11.294 6.139 587 HG3 LYS 98 1HG LYS 98 8.462 -11.315 6.994 588 HD2 LYS 98 2HD LYS 98 6.929 -9.614 7.897 589 HD3 LYS 98 1HD LYS 98 8.393 -8.896 7.220 590 HE2 LYS 98 2HE LYS 98 7.178 -8.410 5.133 591 HE3 LYS 98 1HE LYS 98 5.715 -9.097 5.845 592 HZ1 LYS 98 1HZ LYS 98 7.178 -6.723 6.879 593 HZ2 LYS 98 2HZ LYS 98 5.759 -7.377 7.538 594 HZ3 LYS 98 3HZ LYS 98 5.733 -6.681 5.996 595 H ASN 99 H ASN 99 6.015 -11.685 3.702 596 HA ASN 99 HA ASN 99 5.580 -14.291 4.977 597 HB2 ASN 99 2HB ASN 99 4.154 -12.372 5.658 598 HB3 ASN 99 1HB ASN 99 3.558 -12.250 4.011 599 HD21 ASN 99 1HD2 ASN 99 4.198 -15.278 5.688 600 HD22 ASN 99 2HD2 ASN 99 2.540 -15.770 5.795 601 H ARG 100 H ARG 100 6.951 -13.945 2.511 602 HA ARG 100 HA ARG 100 5.322 -14.517 0.293 603 HE ARG 100 HE ARG 100 10.282 -14.684 -0.469 604 HB2 ARG 100 2HB ARG 100 7.619 -13.694 0.090 605 HB3 ARG 100 1HB ARG 100 8.224 -15.190 0.788 606 HG2 ARG 100 2HG ARG 100 7.518 -16.442 -1.108 607 HG3 ARG 100 1HG ARG 100 6.665 -15.050 -1.775 608 HD2 ARG 100 2HD ARG 100 8.816 -15.428 -2.891 609 HD3 ARG 100 1HD ARG 100 8.763 -13.871 -2.069 610 HH11 ARG 100 1HH1 ARG 100 9.539 -17.058 -2.934 611 HH12 ARG 100 2HH1 ARG 100 10.975 -18.001 -2.643 612 HH21 ARG 100 1HH2 ARG 100 12.154 -15.942 -0.045 613 HH22 ARG 100 2HH2 ARG 100 12.444 -17.382 -0.982 614 H ASP 101 H ASP 101 6.688 -16.407 2.849 615 HA ASP 101 HA ASP 101 5.406 -18.821 1.758 616 HB2 ASP 101 2HB ASP 101 7.886 -18.968 1.635 617 HB3 ASP 101 1HB ASP 101 7.961 -18.734 3.376 Start of MODEL 12 1 HA LEU 25 HA LEU 25 16.568 -2.761 6.204 2 HG LEU 25 HG LEU 25 14.185 -3.865 6.187 3 H1 LEU 25 1HT LEU 25 16.076 -0.823 7.531 4 H2 LEU 25 2HT LEU 25 14.714 -1.821 7.398 5 H3 LEU 25 3HT LEU 25 14.814 -0.394 6.487 6 HB2 LEU 25 2HB LEU 25 14.573 -1.633 4.222 7 HB3 LEU 25 1HB LEU 25 15.513 -3.101 4.063 8 HD11 LEU 25 1HD1 LEU 25 12.336 -1.778 5.038 9 HD12 LEU 25 2HD1 LEU 25 13.110 -1.721 6.622 10 HD13 LEU 25 3HD1 LEU 25 11.918 -2.972 6.268 11 HD21 LEU 25 1HD2 LEU 25 14.067 -4.925 3.999 12 HD22 LEU 25 2HD2 LEU 25 12.926 -3.696 3.453 13 HD23 LEU 25 3HD2 LEU 25 12.467 -4.818 4.733 14 H SER 26 H SER 26 17.278 -2.338 3.593 15 HA SER 26 HA SER 26 19.147 -0.196 3.768 16 HG SER 26 HG SER 26 20.235 -3.016 1.880 17 HB2 SER 26 2HB SER 26 18.313 -1.842 1.371 18 HB3 SER 26 1HB SER 26 19.744 -0.819 1.467 19 H GLU 27 H GLU 27 19.235 1.128 1.465 20 HA GLU 27 HA GLU 27 16.788 2.700 1.493 21 HB2 GLU 27 2HB GLU 27 19.573 3.311 0.562 22 HB3 GLU 27 1HB GLU 27 18.206 4.373 0.237 23 HG2 GLU 27 2HG GLU 27 17.823 4.720 2.554 24 HG3 GLU 27 1HG GLU 27 19.000 3.480 2.988 25 H GLU 28 H GLU 28 18.879 0.931 -0.695 26 HA GLU 28 HA GLU 28 17.689 1.643 -3.112 27 HB2 GLU 28 2HB GLU 28 18.534 -0.561 -3.939 28 HB3 GLU 28 1HB GLU 28 19.743 0.396 -3.095 29 HG2 GLU 28 2HG GLU 28 19.357 -0.945 -1.069 30 HG3 GLU 28 1HG GLU 28 18.209 -1.933 -1.969 31 H GLN 29 H GLN 29 16.664 -0.609 -0.644 32 HA GLN 29 HA GLN 29 14.631 -1.894 -2.115 33 HB2 GLN 29 2HB GLN 29 13.711 -2.515 0.104 34 HB3 GLN 29 1HB GLN 29 15.410 -2.913 -0.069 35 HG2 GLN 29 2HG GLN 29 15.518 -2.020 1.980 36 HG3 GLN 29 1HG GLN 29 15.570 -0.495 1.097 37 HE21 GLN 29 1HE2 GLN 29 12.695 -2.462 1.272 38 HE22 GLN 29 2HE2 GLN 29 11.790 -1.392 2.281 39 H LYS 30 H LYS 30 14.660 1.025 -0.136 40 HA LYS 30 HA LYS 30 11.786 1.234 -0.259 41 HB2 LYS 30 2HB LYS 30 11.998 3.084 1.184 42 HB3 LYS 30 1HB LYS 30 13.117 1.861 1.765 43 HG2 LYS 30 2HG LYS 30 14.613 3.424 0.068 44 HG3 LYS 30 1HG LYS 30 13.599 4.566 0.958 45 HD2 LYS 30 2HD LYS 30 15.119 2.322 2.261 46 HD3 LYS 30 1HD LYS 30 15.757 3.973 2.102 47 HE2 LYS 30 2HE LYS 30 13.896 4.843 3.392 48 HE3 LYS 30 1HE LYS 30 13.175 3.237 3.478 49 HZ1 LYS 30 1HZ LYS 30 15.808 3.989 4.642 50 HZ2 LYS 30 2HZ LYS 30 15.045 2.481 4.775 51 HZ3 LYS 30 3HZ LYS 30 14.362 3.842 5.512 52 H GLN 31 H GLN 31 14.542 2.631 -1.798 53 HA GLN 31 HA GLN 31 13.500 4.796 -3.102 54 HB2 GLN 31 2HB GLN 31 15.409 2.696 -4.106 55 HB3 GLN 31 1HB GLN 31 14.955 4.078 -5.092 56 HG2 GLN 31 2HG GLN 31 15.707 5.507 -3.114 57 HG3 GLN 31 1HG GLN 31 16.474 4.036 -2.512 58 HE21 GLN 31 1HE2 GLN 31 18.528 4.946 -2.713 59 HE22 GLN 31 2HE2 GLN 31 19.289 5.180 -4.251 60 H GLU 32 H GLU 32 13.284 1.411 -4.257 61 HA GLU 32 HA GLU 32 11.608 1.916 -6.456 62 HB2 GLU 32 2HB GLU 32 11.585 -0.559 -4.720 63 HB3 GLU 32 1HB GLU 32 11.038 -0.440 -6.385 64 HG2 GLU 32 2HG GLU 32 13.361 0.077 -7.059 65 HG3 GLU 32 1HG GLU 32 13.864 -0.193 -5.390 66 H ILE 33 H ILE 33 10.872 1.124 -3.119 67 HA ILE 33 HA ILE 33 8.075 0.911 -3.360 68 HB ILE 33 HB ILE 33 9.871 1.445 -0.999 69 HG12 ILE 33 2HG1 ILE 33 8.435 -1.058 -1.908 70 HG13 ILE 33 1HG1 ILE 33 10.144 -0.720 -2.165 71 HG21 ILE 33 1HG2 ILE 33 7.980 0.810 0.426 72 HG22 ILE 33 2HG2 ILE 33 6.930 0.799 -0.992 73 HG23 ILE 33 3HG2 ILE 33 7.684 2.304 -0.460 74 HD11 ILE 33 1HD1 ILE 33 9.812 -2.237 -0.306 75 HD12 ILE 33 2HD1 ILE 33 8.787 -1.049 0.499 76 HD13 ILE 33 3HD1 ILE 33 10.500 -0.711 0.249 77 H LYS 34 H LYS 34 10.158 3.589 -2.377 78 HA LYS 34 HA LYS 34 8.058 5.360 -1.662 79 HB2 LYS 34 2HB LYS 34 10.317 5.557 -0.749 80 HB3 LYS 34 1HB LYS 34 10.951 5.888 -2.354 81 HG2 LYS 34 2HG LYS 34 10.580 8.038 -2.091 82 HG3 LYS 34 1HG LYS 34 8.867 7.741 -1.780 83 HD2 LYS 34 2HD LYS 34 9.841 8.909 0.095 84 HD3 LYS 34 1HD LYS 34 9.425 7.260 0.574 85 HE2 LYS 34 2HE LYS 34 11.732 6.569 0.286 86 HE3 LYS 34 1HE LYS 34 12.168 8.182 -0.276 87 HZ1 LYS 34 1HZ LYS 34 11.114 7.556 2.438 88 HZ2 LYS 34 2HZ LYS 34 11.628 9.075 1.887 89 HZ3 LYS 34 3HZ LYS 34 12.747 7.820 2.063 90 H GLU 35 H GLU 35 10.052 4.927 -4.533 91 HA GLU 35 HA GLU 35 9.067 7.062 -6.048 92 HB2 GLU 35 2HB GLU 35 11.044 5.578 -6.546 93 HB3 GLU 35 1HB GLU 35 9.902 4.353 -7.088 94 HG2 GLU 35 2HG GLU 35 10.723 5.474 -9.010 95 HG3 GLU 35 1HG GLU 35 9.052 5.982 -8.768 96 H ALA 36 H ALA 36 7.893 3.791 -5.530 97 HA ALA 36 HA ALA 36 5.672 3.980 -7.294 98 HB1 ALA 36 1HB ALA 36 4.874 1.962 -6.181 99 HB2 ALA 36 2HB ALA 36 6.090 2.168 -4.921 100 HB3 ALA 36 3HB ALA 36 6.586 1.830 -6.581 101 H PHE 37 H PHE 37 6.181 4.645 -3.860 102 HA PHE 37 HA PHE 37 3.554 5.031 -3.058 103 HD1 PHE 37 1HD PHE 37 3.433 4.532 -0.413 104 HD2 PHE 37 2HD PHE 37 4.974 8.443 -1.056 105 HE1 PHE 37 1HE PHE 37 2.007 5.381 1.391 106 HE2 PHE 37 2HE PHE 37 3.548 9.304 0.749 107 HZ PHE 37 HZ PHE 37 2.059 7.773 1.982 108 HB2 PHE 37 2HB PHE 37 5.603 4.969 -1.598 109 HB3 PHE 37 1HB PHE 37 5.954 6.611 -2.124 110 H ASP 38 H ASP 38 5.879 7.432 -4.311 111 HA ASP 38 HA ASP 38 4.088 9.612 -4.350 112 HB2 ASP 38 2HB ASP 38 6.571 9.073 -5.990 113 HB3 ASP 38 1HB ASP 38 5.694 10.599 -6.029 114 H LEU 39 H LEU 39 4.832 7.112 -6.677 115 HA LEU 39 HA LEU 39 3.482 8.196 -8.893 116 HG LEU 39 HG LEU 39 2.332 5.197 -9.669 117 HB2 LEU 39 2HB LEU 39 5.045 6.455 -9.259 118 HB3 LEU 39 1HB LEU 39 4.247 5.391 -8.119 119 HD11 LEU 39 1HD1 LEU 39 2.509 7.319 -10.813 120 HD12 LEU 39 2HD1 LEU 39 2.586 5.995 -11.977 121 HD13 LEU 39 3HD1 LEU 39 4.061 6.842 -11.508 122 HD21 LEU 39 1HD2 LEU 39 5.016 4.523 -10.862 123 HD22 LEU 39 2HD2 LEU 39 3.472 3.816 -11.337 124 HD23 LEU 39 3HD2 LEU 39 4.106 3.540 -9.716 125 H PHE 40 H PHE 40 2.410 5.958 -6.359 126 HA PHE 40 HA PHE 40 -0.165 5.652 -7.600 127 HD1 PHE 40 1HD PHE 40 -0.117 3.792 -8.427 128 HD2 PHE 40 2HD PHE 40 2.095 2.719 -4.960 129 HE1 PHE 40 1HE PHE 40 0.884 1.910 -9.652 130 HE2 PHE 40 2HE PHE 40 3.099 0.839 -6.171 131 HZ PHE 40 HZ PHE 40 2.482 0.449 -8.566 132 HB2 PHE 40 2HB PHE 40 0.869 4.659 -4.944 133 HB3 PHE 40 1HB PHE 40 -0.706 4.261 -5.625 134 H ASP 41 H ASP 41 1.198 7.843 -5.344 135 HA ASP 41 HA ASP 41 -1.219 8.705 -4.142 136 HB2 ASP 41 2HB ASP 41 0.709 9.519 -3.075 137 HB3 ASP 41 1HB ASP 41 1.449 10.020 -4.591 138 H THR 42 H THR 42 -2.885 9.075 -5.410 139 HA THR 42 HA THR 42 -2.519 10.819 -7.748 140 HB THR 42 HB THR 42 -4.742 10.003 -8.484 141 HG1 THR 42 1HG THR 42 -4.644 8.769 -5.966 142 HG21 THR 42 1HG2 THR 42 -2.766 7.799 -7.867 143 HG22 THR 42 2HG2 THR 42 -2.730 8.862 -9.276 144 HG23 THR 42 3HG2 THR 42 -4.056 7.717 -9.066 145 H ASN 43 H ASN 43 -2.991 11.160 -4.668 146 HA ASN 43 HA ASN 43 -5.363 12.857 -4.716 147 HB2 ASN 43 2HB ASN 43 -4.935 11.149 -2.901 148 HB3 ASN 43 1HB ASN 43 -3.581 12.136 -2.377 149 HD21 ASN 43 1HD2 ASN 43 -6.045 11.330 -1.033 150 HD22 ASN 43 2HD2 ASN 43 -6.778 12.800 -0.492 151 H LYS 44 H LYS 44 -2.134 13.147 -3.230 152 HA LYS 44 HA LYS 44 -0.998 15.312 -4.295 153 HB2 LYS 44 2HB LYS 44 -3.136 16.580 -4.057 154 HB3 LYS 44 1HB LYS 44 -3.041 16.364 -2.317 155 HG2 LYS 44 2HG LYS 44 -0.873 17.594 -2.354 156 HG3 LYS 44 1HG LYS 44 -1.161 17.936 -4.059 157 HD2 LYS 44 2HD LYS 44 -1.855 19.819 -2.683 158 HD3 LYS 44 1HD LYS 44 -3.255 19.077 -3.464 159 HE2 LYS 44 2HE LYS 44 -3.861 17.951 -1.438 160 HE3 LYS 44 1HE LYS 44 -2.374 18.469 -0.647 161 HZ1 LYS 44 1HZ LYS 44 -4.479 20.325 -1.621 162 HZ2 LYS 44 2HZ LYS 44 -3.114 20.722 -0.695 163 HZ3 LYS 44 3HZ LYS 44 -4.349 19.785 -0.021 164 H THR 45 H THR 45 -2.124 13.851 -1.377 165 HA THR 45 HA THR 45 -0.086 15.086 0.278 166 HB THR 45 HB THR 45 -2.355 14.932 1.161 167 HG1 THR 45 1HG THR 45 -1.444 14.682 3.038 168 HG21 THR 45 1HG2 THR 45 -3.355 12.763 1.726 169 HG22 THR 45 2HG2 THR 45 -2.000 11.943 0.948 170 HG23 THR 45 3HG2 THR 45 -3.103 12.930 -0.010 171 H GLY 46 H GLY 46 1.201 13.722 1.761 172 HA2 GLY 46 2HA GLY 46 2.433 11.531 0.314 173 HA3 GLY 46 1HA GLY 46 2.977 12.219 1.840 174 H SER 47 H SER 47 -0.035 10.694 0.741 175 HA SER 47 HA SER 47 0.303 8.379 2.358 176 HG SER 47 HG SER 47 -1.684 11.162 2.455 177 HB2 SER 47 2HB SER 47 -1.809 8.947 3.763 178 HB3 SER 47 1HB SER 47 -0.263 9.630 4.256 179 H ILE 48 H ILE 48 -1.311 6.823 1.949 180 HA ILE 48 HA ILE 48 -2.768 7.361 -0.553 181 HB ILE 48 HB ILE 48 -2.063 4.681 0.654 182 HG12 ILE 48 2HG1 ILE 48 -0.020 6.005 0.155 183 HG13 ILE 48 1HG1 ILE 48 -0.172 4.557 -0.831 184 HG21 ILE 48 1HG2 ILE 48 -3.887 4.605 -0.938 185 HG22 ILE 48 2HG2 ILE 48 -2.451 3.834 -1.612 186 HG23 ILE 48 3HG2 ILE 48 -2.905 5.457 -2.131 187 HD11 ILE 48 1HD1 ILE 48 -0.801 7.371 -1.702 188 HD12 ILE 48 2HD1 ILE 48 -0.968 5.927 -2.699 189 HD13 ILE 48 3HD1 ILE 48 0.627 6.434 -2.145 190 H ASP 49 H ASP 49 -4.988 7.173 -0.608 191 HA ASP 49 HA ASP 49 -6.225 6.021 1.799 192 HB2 ASP 49 2HB ASP 49 -8.166 7.268 1.442 193 HB3 ASP 49 1HB ASP 49 -6.873 8.384 1.033 194 H TYR 50 H TYR 50 -8.321 4.834 1.366 195 HA TYR 50 HA TYR 50 -7.518 2.488 0.069 196 HD1 TYR 50 2HD TYR 50 -9.529 4.376 3.040 197 HD2 TYR 50 1HD TYR 50 -11.830 2.858 -0.203 198 HE1 TYR 50 2HE TYR 50 -11.357 5.907 3.632 199 HE2 TYR 50 1HE TYR 50 -13.666 4.389 0.380 200 HH TYR 50 HH TYR 50 -14.476 5.596 2.449 201 HB2 TYR 50 2HB TYR 50 -9.858 1.690 0.565 202 HB3 TYR 50 1HB TYR 50 -8.934 2.271 1.943 203 H HIS 51 H HIS 51 -9.141 5.208 -1.279 204 HA HIS 51 HA HIS 51 -10.524 3.679 -3.287 205 HD1 HIS 51 1HD HIS 51 -11.138 6.556 -5.969 206 HD2 HIS 51 2HD HIS 51 -8.564 7.944 -3.012 207 HE1 HIS 51 1HE HIS 51 -9.833 8.435 -7.026 208 HE2 HIS 51 2HE HIS 51 -8.351 9.320 -5.184 209 HB2 HIS 51 2HB HIS 51 -11.634 5.581 -3.706 210 HB3 HIS 51 1HB HIS 51 -10.791 6.255 -2.314 211 H GLU 52 H GLU 52 -7.441 5.351 -3.043 212 HA GLU 52 HA GLU 52 -6.929 4.871 -5.883 213 HB2 GLU 52 2HB GLU 52 -5.010 6.321 -5.620 214 HB3 GLU 52 1HB GLU 52 -6.437 7.102 -4.959 215 HG2 GLU 52 2HG GLU 52 -5.648 6.217 -2.696 216 HG3 GLU 52 1HG GLU 52 -4.110 5.912 -3.502 217 H LEU 53 H LEU 53 -6.353 3.490 -2.855 218 HA LEU 53 HA LEU 53 -3.858 2.270 -3.207 219 HG LEU 53 HG LEU 53 -4.477 -0.495 -1.979 220 HB2 LEU 53 2HB LEU 53 -5.089 2.316 -1.067 221 HB3 LEU 53 1HB LEU 53 -6.275 1.210 -1.731 222 HD11 LEU 53 1HD1 LEU 53 -2.846 1.511 -0.430 223 HD12 LEU 53 2HD1 LEU 53 -2.550 0.976 -2.085 224 HD13 LEU 53 3HD1 LEU 53 -2.384 -0.161 -0.746 225 HD21 LEU 53 1HD2 LEU 53 -4.936 0.589 0.791 226 HD22 LEU 53 2HD2 LEU 53 -4.344 -1.027 0.407 227 HD23 LEU 53 3HD2 LEU 53 -5.970 -0.546 -0.076 228 H LYS 54 H LYS 54 -6.934 1.614 -4.631 229 HA LYS 54 HA LYS 54 -6.673 -1.114 -5.191 230 HB2 LYS 54 2HB LYS 54 -8.754 0.300 -5.393 231 HB3 LYS 54 1HB LYS 54 -8.119 0.880 -6.929 232 HG2 LYS 54 2HG LYS 54 -8.047 -1.470 -7.722 233 HG3 LYS 54 1HG LYS 54 -8.831 -1.959 -6.217 234 HD2 LYS 54 2HD LYS 54 -9.941 -0.105 -8.331 235 HD3 LYS 54 1HD LYS 54 -10.490 -1.741 -7.968 236 HE2 LYS 54 2HE LYS 54 -11.240 -1.041 -5.779 237 HE3 LYS 54 1HE LYS 54 -10.593 0.577 -6.045 238 HZ1 LYS 54 1HZ LYS 54 -12.965 0.545 -6.425 239 HZ2 LYS 54 2HZ LYS 54 -12.805 -0.693 -7.572 240 HZ3 LYS 54 3HZ LYS 54 -12.157 0.843 -7.887 241 H VAL 55 H VAL 55 -5.806 1.715 -7.186 242 HA VAL 55 HA VAL 55 -4.860 0.143 -9.360 243 HB VAL 55 HB VAL 55 -3.912 2.181 -10.270 244 HG11 VAL 55 1HG1 VAL 55 -5.928 3.566 -10.361 245 HG12 VAL 55 2HG1 VAL 55 -6.592 2.684 -8.984 246 HG13 VAL 55 3HG1 VAL 55 -6.308 1.850 -10.513 247 HG21 VAL 55 1HG2 VAL 55 -2.950 3.121 -8.240 248 HG22 VAL 55 2HG2 VAL 55 -4.565 3.464 -7.621 249 HG23 VAL 55 3HG2 VAL 55 -3.975 4.303 -9.056 250 H ALA 56 H ALA 56 -3.458 1.349 -6.426 251 HA ALA 56 HA ALA 56 -0.732 0.904 -7.056 252 HB1 ALA 56 1HB ALA 56 -0.359 1.016 -4.646 253 HB2 ALA 56 2HB ALA 56 -2.093 0.880 -4.362 254 HB3 ALA 56 3HB ALA 56 -1.443 2.304 -5.172 255 H MET 57 H MET 57 -3.087 -0.998 -5.205 256 HA MET 57 HA MET 57 -1.535 -3.247 -4.693 257 HB2 MET 57 2HB MET 57 -4.515 -3.052 -5.165 258 HB3 MET 57 1HB MET 57 -3.703 -4.436 -4.444 259 HG2 MET 57 2HG MET 57 -3.480 -1.684 -3.278 260 HG3 MET 57 1HG MET 57 -4.819 -2.758 -2.888 261 HE1 MET 57 1HE MET 57 -3.763 -5.561 -2.660 262 HE2 MET 57 2HE MET 57 -4.716 -4.785 -1.398 263 HE3 MET 57 3HE MET 57 -3.231 -5.647 -0.982 264 H ARG 58 H ARG 58 -3.570 -2.496 -7.485 265 HA ARG 58 HA ARG 58 -3.282 -4.941 -8.833 266 HE ARG 58 HE ARG 58 -6.249 -4.256 -11.464 267 HB2 ARG 58 2HB ARG 58 -4.986 -3.492 -9.594 268 HB3 ARG 58 1HB ARG 58 -3.872 -2.143 -9.776 269 HG2 ARG 58 2HG ARG 58 -2.808 -3.249 -11.656 270 HG3 ARG 58 1HG ARG 58 -3.873 -4.642 -11.453 271 HD2 ARG 58 2HD ARG 58 -4.863 -1.850 -11.987 272 HD3 ARG 58 1HD ARG 58 -4.535 -3.021 -13.262 273 HH11 ARG 58 1HH1 ARG 58 -6.273 -1.453 -13.559 274 HH12 ARG 58 2HH1 ARG 58 -7.982 -1.544 -13.882 275 HH21 ARG 58 1HH2 ARG 58 -8.515 -4.370 -11.862 276 HH22 ARG 58 2HH2 ARG 58 -9.254 -3.186 -12.911 277 H ALA 59 H ALA 59 -1.440 -1.909 -9.160 278 HA ALA 59 HA ALA 59 0.287 -2.848 -11.180 279 HB1 ALA 59 1HB ALA 59 1.658 -0.906 -10.670 280 HB2 ALA 59 2HB ALA 59 0.777 -0.666 -9.162 281 HB3 ALA 59 3HB ALA 59 -0.052 -0.475 -10.707 282 H LEU 60 H LEU 60 0.525 -2.894 -7.660 283 HA LEU 60 HA LEU 60 3.154 -3.904 -7.471 284 HG LEU 60 HG LEU 60 1.358 -1.957 -5.890 285 HB2 LEU 60 2HB LEU 60 0.807 -4.385 -5.636 286 HB3 LEU 60 1HB LEU 60 2.490 -4.676 -5.239 287 HD11 LEU 60 1HD1 LEU 60 1.392 -1.541 -3.508 288 HD12 LEU 60 2HD1 LEU 60 1.975 -3.180 -3.209 289 HD13 LEU 60 3HD1 LEU 60 0.359 -2.926 -3.869 290 HD21 LEU 60 1HD2 LEU 60 3.979 -2.794 -4.645 291 HD22 LEU 60 2HD2 LEU 60 3.444 -1.139 -4.942 292 HD23 LEU 60 3HD2 LEU 60 3.768 -2.218 -6.299 293 H GLY 61 H GLY 61 0.002 -5.500 -7.559 294 HA2 GLY 61 2HA GLY 61 -0.055 -7.432 -9.103 295 HA3 GLY 61 1HA GLY 61 1.390 -8.000 -8.291 296 H PHE 62 H PHE 62 -1.494 -6.590 -6.813 297 HA PHE 62 HA PHE 62 -1.903 -9.133 -5.397 298 HD1 PHE 62 2HD PHE 62 -1.470 -9.088 -2.721 299 HD2 PHE 62 1HD PHE 62 -0.938 -5.168 -4.281 300 HE1 PHE 62 2HE PHE 62 0.533 -8.811 -1.325 301 HE2 PHE 62 1HE PHE 62 1.070 -4.882 -2.890 302 HZ PHE 62 HZ PHE 62 1.765 -6.671 -1.352 303 HB2 PHE 62 2HB PHE 62 -2.882 -6.343 -4.762 304 HB3 PHE 62 1HB PHE 62 -3.325 -7.780 -3.849 305 H ASP 63 H ASP 63 -4.016 -9.991 -5.182 306 HA ASP 63 HA ASP 63 -5.994 -8.901 -7.083 307 HB2 ASP 63 2HB ASP 63 -5.007 -11.099 -7.819 308 HB3 ASP 63 1HB ASP 63 -5.679 -11.825 -6.363 309 H VAL 64 H VAL 64 -6.887 -7.670 -5.397 310 HA VAL 64 HA VAL 64 -8.140 -9.213 -3.231 311 HB VAL 64 HB VAL 64 -7.948 -7.149 -1.828 312 HG11 VAL 64 1HG1 VAL 64 -6.422 -9.013 -1.530 313 HG12 VAL 64 2HG1 VAL 64 -5.575 -7.483 -1.297 314 HG13 VAL 64 3HG1 VAL 64 -5.374 -8.383 -2.801 315 HG21 VAL 64 1HG2 VAL 64 -6.097 -6.255 -4.037 316 HG22 VAL 64 2HG2 VAL 64 -6.298 -5.461 -2.475 317 HG23 VAL 64 3HG2 VAL 64 -7.641 -5.518 -3.616 318 H LYS 65 H LYS 65 -8.461 -6.421 -5.336 319 HA LYS 65 HA LYS 65 -10.184 -5.060 -5.894 320 HB2 LYS 65 2HB LYS 65 -11.477 -7.733 -5.596 321 HB3 LYS 65 1HB LYS 65 -12.500 -6.323 -5.847 322 HG2 LYS 65 2HG LYS 65 -11.963 -6.187 -8.006 323 HG3 LYS 65 1HG LYS 65 -10.244 -6.403 -7.677 324 HD2 LYS 65 2HD LYS 65 -12.288 -8.618 -7.815 325 HD3 LYS 65 1HD LYS 65 -11.153 -8.190 -9.097 326 HE2 LYS 65 2HE LYS 65 -9.306 -8.585 -7.419 327 HE3 LYS 65 1HE LYS 65 -10.535 -9.287 -6.368 328 HZ1 LYS 65 1HZ LYS 65 -9.422 -11.004 -7.634 329 HZ2 LYS 65 2HZ LYS 65 -9.828 -10.235 -9.090 330 HZ3 LYS 65 3HZ LYS 65 -11.047 -10.895 -8.116 331 H LYS 66 H LYS 66 -12.907 -5.077 -4.865 332 HA LYS 66 HA LYS 66 -12.519 -3.158 -2.908 333 HB2 LYS 66 2HB LYS 66 -14.979 -4.786 -3.506 334 HB3 LYS 66 1HB LYS 66 -14.962 -3.395 -2.432 335 HG2 LYS 66 2HG LYS 66 -14.191 -1.995 -4.317 336 HG3 LYS 66 1HG LYS 66 -14.335 -3.400 -5.375 337 HD2 LYS 66 2HD LYS 66 -16.315 -1.965 -5.520 338 HD3 LYS 66 1HD LYS 66 -16.716 -3.556 -4.866 339 HE2 LYS 66 2HE LYS 66 -16.555 -2.575 -2.580 340 HE3 LYS 66 1HE LYS 66 -16.341 -0.993 -3.321 341 HZ1 LYS 66 1HZ LYS 66 -18.626 -1.369 -2.657 342 HZ2 LYS 66 2HZ LYS 66 -18.719 -2.742 -3.645 343 HZ3 LYS 66 3HZ LYS 66 -18.519 -1.212 -4.340 344 HA PRO 67 HA PRO 67 -14.287 -6.277 0.460 345 HB2 PRO 67 2HB PRO 67 -13.329 -8.867 0.036 346 HB3 PRO 67 1HB PRO 67 -14.980 -8.308 -0.242 347 HG2 PRO 67 2HG PRO 67 -12.734 -8.638 -2.180 348 HG3 PRO 67 1HG PRO 67 -14.465 -8.975 -2.392 349 HD2 PRO 67 2HD PRO 67 -13.368 -6.788 -3.444 350 HD3 PRO 67 1HD PRO 67 -14.986 -6.729 -2.713 351 H GLU 68 H GLU 68 -11.218 -7.514 -0.921 352 HA GLU 68 HA GLU 68 -10.141 -7.741 1.750 353 HB2 GLU 68 2HB GLU 68 -8.830 -8.269 -0.920 354 HB3 GLU 68 1HB GLU 68 -8.158 -8.681 0.650 355 HG2 GLU 68 2HG GLU 68 -10.075 -10.176 1.042 356 HG3 GLU 68 1HG GLU 68 -10.657 -9.808 -0.582 357 H ILE 69 H ILE 69 -10.430 -5.178 -0.327 358 HA ILE 69 HA ILE 69 -7.740 -4.190 0.176 359 HB ILE 69 HB ILE 69 -9.053 -4.118 -2.116 360 HG12 ILE 69 2HG1 ILE 69 -7.350 -1.777 -1.291 361 HG13 ILE 69 1HG1 ILE 69 -6.699 -3.392 -1.561 362 HG21 ILE 69 1HG2 ILE 69 -10.895 -2.728 -1.375 363 HG22 ILE 69 2HG2 ILE 69 -9.933 -1.873 -2.582 364 HG23 ILE 69 3HG2 ILE 69 -9.768 -1.467 -0.874 365 HD11 ILE 69 1HD1 ILE 69 -7.527 -3.329 -3.863 366 HD12 ILE 69 2HD1 ILE 69 -6.399 -2.015 -3.521 367 HD13 ILE 69 3HD1 ILE 69 -8.133 -1.695 -3.588 368 H LEU 70 H LEU 70 -11.112 -3.223 0.839 369 HA LEU 70 HA LEU 70 -10.162 -0.845 2.156 370 HG LEU 70 HG LEU 70 -14.390 -1.576 2.097 371 HB2 LEU 70 2HB LEU 70 -12.371 -0.185 2.472 372 HB3 LEU 70 1HB LEU 70 -12.396 -1.024 0.943 373 HD11 LEU 70 1HD1 LEU 70 -14.229 -4.000 2.414 374 HD12 LEU 70 2HD1 LEU 70 -12.468 -3.871 2.336 375 HD13 LEU 70 3HD1 LEU 70 -13.449 -3.446 0.932 376 HD21 LEU 70 1HD2 LEU 70 -14.410 -2.601 4.335 377 HD22 LEU 70 2HD2 LEU 70 -13.782 -0.951 4.340 378 HD23 LEU 70 3HD2 LEU 70 -12.667 -2.319 4.449 379 H GLU 71 H GLU 71 -11.174 -4.064 3.095 380 HA GLU 71 HA GLU 71 -11.246 -3.492 5.895 381 HB2 GLU 71 2HB GLU 71 -12.169 -5.549 4.390 382 HB3 GLU 71 1HB GLU 71 -10.692 -6.266 5.020 383 HG2 GLU 71 2HG GLU 71 -12.797 -4.992 6.747 384 HG3 GLU 71 1HG GLU 71 -12.760 -6.708 6.347 385 H LEU 72 H LEU 72 -8.866 -4.423 3.565 386 HA LEU 72 HA LEU 72 -6.754 -5.123 5.202 387 HG LEU 72 HG LEU 72 -4.444 -4.798 4.090 388 HB2 LEU 72 2HB LEU 72 -6.672 -5.230 2.753 389 HB3 LEU 72 1HB LEU 72 -6.728 -3.483 2.662 390 HD11 LEU 72 1HD1 LEU 72 -4.635 -5.973 1.952 391 HD12 LEU 72 2HD1 LEU 72 -3.222 -4.915 1.977 392 HD13 LEU 72 3HD1 LEU 72 -4.677 -4.427 1.105 393 HD21 LEU 72 1HD2 LEU 72 -4.712 -2.293 2.425 394 HD22 LEU 72 2HD2 LEU 72 -3.249 -2.832 3.250 395 HD23 LEU 72 3HD2 LEU 72 -4.668 -2.363 4.187 396 H MET 73 H MET 73 -8.080 -1.974 4.386 397 HA MET 73 HA MET 73 -5.974 -0.630 5.876 398 HB2 MET 73 2HB MET 73 -8.268 0.400 4.222 399 HB3 MET 73 1HB MET 73 -7.208 1.453 5.152 400 HG2 MET 73 2HG MET 73 -5.285 0.451 3.887 401 HG3 MET 73 1HG MET 73 -6.480 -0.325 2.843 402 HE1 MET 73 1HE MET 73 -5.460 3.104 4.396 403 HE2 MET 73 2HE MET 73 -7.226 3.122 4.439 404 HE3 MET 73 3HE MET 73 -6.358 4.233 3.379 405 H ASN 74 H ASN 74 -8.973 -1.965 6.433 406 HA ASN 74 HA ASN 74 -9.741 -0.160 8.535 407 HB2 ASN 74 2HB ASN 74 -11.546 -1.201 7.387 408 HB3 ASN 74 1HB ASN 74 -10.842 -2.802 7.586 409 HD21 ASN 74 1HD2 ASN 74 -11.088 -3.880 9.418 410 HD22 ASN 74 2HD2 ASN 74 -12.116 -3.365 10.734 411 H GLU 75 H GLU 75 -8.424 -3.505 8.335 412 HA GLU 75 HA GLU 75 -8.086 -3.581 11.178 413 HB2 GLU 75 2HB GLU 75 -6.882 -5.665 10.837 414 HB3 GLU 75 1HB GLU 75 -8.383 -5.645 9.925 415 HG2 GLU 75 2HG GLU 75 -7.275 -5.421 7.884 416 HG3 GLU 75 1HG GLU 75 -5.768 -4.925 8.658 417 H TYR 76 H TYR 76 -6.052 -2.492 8.531 418 HA TYR 76 HA TYR 76 -3.720 -2.390 10.258 419 HD1 TYR 76 2HD TYR 76 -1.680 -3.358 9.619 420 HD2 TYR 76 1HD TYR 76 -4.056 -3.563 6.100 421 HE1 TYR 76 2HE TYR 76 -0.783 -5.601 9.153 422 HE2 TYR 76 1HE TYR 76 -3.176 -5.806 5.626 423 HH TYR 76 HH TYR 76 -1.056 -7.121 6.195 424 HB2 TYR 76 2HB TYR 76 -4.145 -1.653 7.374 425 HB3 TYR 76 1HB TYR 76 -2.664 -1.234 8.228 426 H ASP 77 H ASP 77 -5.447 0.098 8.330 427 HA ASP 77 HA ASP 77 -4.232 2.192 9.848 428 HB2 ASP 77 2HB ASP 77 -4.739 2.780 7.622 429 HB3 ASP 77 1HB ASP 77 -6.383 2.167 7.744 430 H ARG 78 H ARG 78 -7.693 2.080 9.314 431 HA ARG 78 HA ARG 78 -9.504 2.367 10.603 432 HE ARG 78 HE ARG 78 -12.351 2.075 13.235 433 HB2 ARG 78 2HB ARG 78 -8.458 0.269 11.638 434 HB3 ARG 78 1HB ARG 78 -7.949 1.327 12.936 435 HG2 ARG 78 2HG ARG 78 -10.814 1.046 12.071 436 HG3 ARG 78 1HG ARG 78 -10.080 0.045 13.320 437 HD2 ARG 78 2HD ARG 78 -9.953 1.768 14.820 438 HD3 ARG 78 1HD ARG 78 -9.857 3.001 13.562 439 HH11 ARG 78 1HH1 ARG 78 -10.630 3.011 16.148 440 HH12 ARG 78 2HH1 ARG 78 -12.038 3.674 16.920 441 HH21 ARG 78 1HH2 ARG 78 -14.209 2.933 14.262 442 HH22 ARG 78 2HH2 ARG 78 -14.075 3.600 15.868 443 H GLU 79 H GLU 79 -6.573 3.376 12.378 444 HA GLU 79 HA GLU 79 -7.859 5.125 14.145 445 HB2 GLU 79 2HB GLU 79 -5.644 6.121 14.516 446 HB3 GLU 79 1HB GLU 79 -5.594 4.367 14.547 447 HG2 GLU 79 2HG GLU 79 -4.693 4.347 12.281 448 HG3 GLU 79 1HG GLU 79 -4.761 6.108 12.240 449 H GLY 80 H GLY 80 -6.491 5.720 10.922 450 HA2 GLY 80 2HA GLY 80 -7.543 8.451 11.001 451 HA3 GLY 80 1HA GLY 80 -6.585 7.738 9.704 452 H ASN 81 H ASN 81 -8.118 5.337 9.584 453 HA ASN 81 HA ASN 81 -9.857 4.398 8.491 454 HB2 ASN 81 2HB ASN 81 -11.067 5.449 10.499 455 HB3 ASN 81 1HB ASN 81 -11.568 6.719 9.387 456 HD21 ASN 81 1HD2 ASN 81 -13.122 6.281 7.849 457 HD22 ASN 81 2HD2 ASN 81 -14.053 4.822 7.845 458 H GLY 82 H GLY 82 -8.164 5.753 6.949 459 HA2 GLY 82 2HA GLY 82 -9.730 6.466 4.685 460 HA3 GLY 82 1HA GLY 82 -9.087 7.909 5.456 461 H TYR 83 H TYR 83 -6.603 7.457 6.118 462 HA TYR 83 HA TYR 83 -5.331 6.570 3.605 463 HD1 TYR 83 1HD TYR 83 -6.784 9.767 5.319 464 HD2 TYR 83 2HD TYR 83 -4.387 9.281 1.842 465 HE1 TYR 83 1HE TYR 83 -8.202 11.381 4.126 466 HE2 TYR 83 2HE TYR 83 -5.800 10.892 0.634 467 HH TYR 83 HH TYR 83 -8.187 12.826 2.263 468 HB2 TYR 83 2HB TYR 83 -4.388 8.821 5.370 469 HB3 TYR 83 1HB TYR 83 -3.686 8.324 3.846 470 H ILE 84 H ILE 84 -3.029 6.080 3.838 471 HA ILE 84 HA ILE 84 -2.312 5.006 6.485 472 HB ILE 84 HB ILE 84 -1.120 3.161 5.243 473 HG12 ILE 84 2HG1 ILE 84 -2.554 4.489 2.984 474 HG13 ILE 84 1HG1 ILE 84 -0.948 3.770 3.026 475 HG21 ILE 84 1HG2 ILE 84 -3.134 1.795 4.959 476 HG22 ILE 84 2HG2 ILE 84 -4.123 3.253 5.045 477 HG23 ILE 84 3HG2 ILE 84 -3.180 2.743 6.447 478 HD11 ILE 84 1HD1 ILE 84 -1.932 1.554 3.002 479 HD12 ILE 84 2HD1 ILE 84 -2.482 2.509 1.623 480 HD13 ILE 84 3HD1 ILE 84 -3.544 2.269 3.013 481 H GLY 85 H GLY 85 0.108 4.543 6.594 482 HA2 GLY 85 2HA GLY 85 1.461 6.876 5.418 483 HA3 GLY 85 1HA GLY 85 1.966 6.025 6.871 484 H PHE 86 H PHE 86 3.815 6.569 4.986 485 HA PHE 86 HA PHE 86 4.140 4.710 2.929 486 HD1 PHE 86 1HD PHE 86 5.696 5.231 0.976 487 HD2 PHE 86 2HD PHE 86 8.268 5.336 4.359 488 HE1 PHE 86 1HE PHE 86 7.490 4.239 -0.363 489 HE2 PHE 86 2HE PHE 86 10.071 4.345 3.022 490 HZ PHE 86 HZ PHE 86 9.691 3.791 0.655 491 HB2 PHE 86 2HB PHE 86 5.375 6.804 3.025 492 HB3 PHE 86 1HB PHE 86 6.181 6.290 4.503 493 H ASP 87 H ASP 87 4.956 4.631 6.320 494 HA ASP 87 HA ASP 87 6.642 2.393 6.361 495 HB2 ASP 87 2HB ASP 87 4.699 3.308 8.496 496 HB3 ASP 87 1HB ASP 87 6.090 2.256 8.741 497 H ASP 88 H ASP 88 3.140 2.693 6.384 498 HA ASP 88 HA ASP 88 2.638 -0.084 6.909 499 HB2 ASP 88 2HB ASP 88 0.770 1.975 5.703 500 HB3 ASP 88 1HB ASP 88 0.310 0.428 6.406 501 H PHE 89 H PHE 89 3.261 1.862 4.134 502 HA PHE 89 HA PHE 89 2.000 0.089 2.237 503 HD1 PHE 89 2HD PHE 89 1.028 1.247 -0.168 504 HD2 PHE 89 1HD PHE 89 5.154 2.200 0.183 505 HE1 PHE 89 2HE PHE 89 1.301 0.936 -2.591 506 HE2 PHE 89 1HE PHE 89 5.439 1.896 -2.226 507 HZ PHE 89 HZ PHE 89 3.512 1.263 -3.631 508 HB2 PHE 89 2HB PHE 89 1.991 2.475 1.796 509 HB3 PHE 89 1HB PHE 89 3.739 2.559 1.978 510 H LEU 90 H LEU 90 5.146 1.039 3.324 511 HA LEU 90 HA LEU 90 6.910 -0.532 1.923 512 HG LEU 90 HG LEU 90 9.254 0.241 4.697 513 HB2 LEU 90 2HB LEU 90 7.025 1.113 3.988 514 HB3 LEU 90 1HB LEU 90 7.037 -0.383 4.884 515 HD11 LEU 90 1HD1 LEU 90 10.327 -1.419 3.260 516 HD12 LEU 90 2HD1 LEU 90 8.775 -1.707 2.470 517 HD13 LEU 90 3HD1 LEU 90 8.982 -2.093 4.180 518 HD21 LEU 90 1HD2 LEU 90 10.356 0.924 2.623 519 HD22 LEU 90 2HD2 LEU 90 9.023 1.995 3.053 520 HD23 LEU 90 3HD2 LEU 90 8.812 0.795 1.780 521 H ASP 91 H ASP 91 5.135 -1.307 4.881 522 HA ASP 91 HA ASP 91 6.283 -3.863 5.225 523 HB2 ASP 91 2HB ASP 91 5.353 -2.382 6.979 524 HB3 ASP 91 1HB ASP 91 3.740 -2.800 6.438 525 H ILE 92 H ILE 92 4.011 -2.835 3.103 526 HA ILE 92 HA ILE 92 2.618 -5.391 2.854 527 HB ILE 92 HB ILE 92 2.344 -2.689 1.585 528 HG12 ILE 92 2HG1 ILE 92 0.508 -4.341 3.263 529 HG13 ILE 92 1HG1 ILE 92 1.592 -3.114 3.902 530 HG21 ILE 92 1HG2 ILE 92 1.883 -4.357 -0.139 531 HG22 ILE 92 2HG2 ILE 92 0.387 -3.570 0.372 532 HG23 ILE 92 3HG2 ILE 92 0.775 -5.192 0.950 533 HD11 ILE 92 1HD1 ILE 92 0.401 -1.414 2.611 534 HD12 ILE 92 2HD1 ILE 92 -0.692 -2.279 3.692 535 HD13 ILE 92 3HD1 ILE 92 -0.679 -2.650 1.966 536 H MET 93 H MET 93 4.722 -3.219 1.075 537 HA MET 93 HA MET 93 5.156 -5.019 -1.078 538 HB2 MET 93 2HB MET 93 6.807 -2.697 -0.102 539 HB3 MET 93 1HB MET 93 7.003 -3.516 -1.651 540 HG2 MET 93 2HG MET 93 4.603 -2.939 -2.129 541 HG3 MET 93 1HG MET 93 4.647 -1.902 -0.701 542 HE1 MET 93 1HE MET 93 7.449 -2.704 -3.277 543 HE2 MET 93 2HE MET 93 7.321 -1.362 -4.419 544 HE3 MET 93 3HE MET 93 6.029 -2.559 -4.312 545 H THR 94 H THR 94 6.484 -4.582 2.139 546 HA THR 94 HA THR 94 8.342 -6.779 1.664 547 HB THR 94 HB THR 94 8.801 -6.621 4.100 548 HG1 THR 94 1HG THR 94 7.871 -4.756 5.171 549 HG21 THR 94 1HG2 THR 94 10.103 -5.315 2.501 550 HG22 THR 94 2HG2 THR 94 9.886 -4.425 4.009 551 HG23 THR 94 3HG2 THR 94 8.915 -4.016 2.593 552 H GLU 95 H GLU 95 5.095 -6.322 2.824 553 HA GLU 95 HA GLU 95 4.637 -8.469 4.454 554 HB2 GLU 95 2HB GLU 95 2.932 -6.804 3.969 555 HB3 GLU 95 1HB GLU 95 2.783 -7.425 2.326 556 HG2 GLU 95 2HG GLU 95 1.934 -9.520 3.156 557 HG3 GLU 95 1HG GLU 95 2.198 -9.007 4.821 558 H LYS 96 H LYS 96 4.079 -8.431 0.967 559 HA LYS 96 HA LYS 96 3.535 -11.216 0.993 560 HB2 LYS 96 2HB LYS 96 3.243 -10.911 -1.492 561 HB3 LYS 96 1HB LYS 96 2.197 -9.940 -0.466 562 HG2 LYS 96 2HG LYS 96 2.936 -8.558 -2.234 563 HG3 LYS 96 1HG LYS 96 3.798 -8.047 -0.782 564 HD2 LYS 96 2HD LYS 96 5.584 -9.781 -1.651 565 HD3 LYS 96 1HD LYS 96 4.800 -9.452 -3.200 566 HE2 LYS 96 2HE LYS 96 5.774 -7.290 -1.362 567 HE3 LYS 96 1HE LYS 96 6.791 -8.026 -2.604 568 HZ1 LYS 96 1HZ LYS 96 5.081 -7.377 -4.257 569 HZ2 LYS 96 2HZ LYS 96 5.828 -6.054 -3.498 570 HZ3 LYS 96 3HZ LYS 96 4.267 -6.526 -3.037 571 H ILE 97 H ILE 97 6.485 -9.608 0.910 572 HA ILE 97 HA ILE 97 7.680 -11.778 -0.649 573 HB ILE 97 HB ILE 97 9.861 -10.582 -0.363 574 HG12 ILE 97 2HG1 ILE 97 9.366 -7.994 -0.012 575 HG13 ILE 97 1HG1 ILE 97 8.096 -8.636 1.026 576 HG21 ILE 97 1HG2 ILE 97 9.369 -8.915 -2.089 577 HG22 ILE 97 2HG2 ILE 97 7.645 -9.148 -1.800 578 HG23 ILE 97 3HG2 ILE 97 8.624 -10.479 -2.417 579 HD11 ILE 97 1HD1 ILE 97 11.041 -9.213 1.261 580 HD12 ILE 97 2HD1 ILE 97 9.775 -9.874 2.296 581 HD13 ILE 97 3HD1 ILE 97 10.099 -8.140 2.296 582 H LYS 98 H LYS 98 7.401 -10.622 2.624 583 HA LYS 98 HA LYS 98 9.469 -12.323 3.650 584 HB2 LYS 98 2HB LYS 98 8.852 -11.572 5.812 585 HB3 LYS 98 1HB LYS 98 8.639 -10.186 4.752 586 HG2 LYS 98 2HG LYS 98 6.198 -10.780 4.646 587 HG3 LYS 98 1HG LYS 98 6.511 -11.963 5.916 588 HD2 LYS 98 2HD LYS 98 5.677 -9.971 6.936 589 HD3 LYS 98 1HD LYS 98 7.395 -10.107 7.325 590 HE2 LYS 98 2HE LYS 98 7.982 -8.443 5.775 591 HE3 LYS 98 1HE LYS 98 6.410 -8.508 4.982 592 HZ1 LYS 98 1HZ LYS 98 7.001 -7.442 7.694 593 HZ2 LYS 98 2HZ LYS 98 5.436 -7.640 7.075 594 HZ3 LYS 98 3HZ LYS 98 6.508 -6.557 6.338 595 H ASN 99 H ASN 99 5.928 -12.453 3.538 596 HA ASN 99 HA ASN 99 6.009 -15.186 4.522 597 HB2 ASN 99 2HB ASN 99 4.365 -13.629 5.526 598 HB3 ASN 99 1HB ASN 99 3.627 -13.415 3.947 599 HD21 ASN 99 1HD2 ASN 99 2.113 -14.820 3.292 600 HD22 ASN 99 2HD2 ASN 99 1.636 -16.236 4.163 601 H ARG 100 H ARG 100 5.713 -13.364 1.774 602 HA ARG 100 HA ARG 100 5.005 -13.643 -0.332 603 HE ARG 100 HE ARG 100 9.587 -17.577 0.819 604 HB2 ARG 100 2HB ARG 100 6.344 -15.576 -1.435 605 HB3 ARG 100 1HB ARG 100 7.141 -14.145 -0.807 606 HG2 ARG 100 2HG ARG 100 7.512 -15.522 1.321 607 HG3 ARG 100 1HG ARG 100 7.101 -16.917 0.314 608 HD2 ARG 100 2HD ARG 100 8.865 -16.360 -1.242 609 HD3 ARG 100 1HD ARG 100 9.234 -14.890 -0.343 610 HH11 ARG 100 1HH1 ARG 100 10.723 -14.325 0.213 611 HH12 ARG 100 2HH1 ARG 100 12.261 -14.577 0.975 612 HH21 ARG 100 1HH2 ARG 100 11.609 -17.917 1.844 613 HH22 ARG 100 2HH2 ARG 100 12.773 -16.620 1.887 614 H ASP 101 H ASP 101 2.906 -14.013 0.285 615 HA ASP 101 HA ASP 101 1.709 -16.591 -0.036 616 HB2 ASP 101 2HB ASP 101 0.528 -14.886 1.213 617 HB3 ASP 101 1HB ASP 101 0.572 -13.788 -0.161 Start of MODEL 13 1 HA LEU 25 HA LEU 25 15.677 -2.852 3.938 2 HG LEU 25 HG LEU 25 12.757 -2.915 4.716 3 H1 LEU 25 1HT LEU 25 14.579 -2.826 6.126 4 H2 LEU 25 2HT LEU 25 15.290 -1.314 6.435 5 H3 LEU 25 3HT LEU 25 16.267 -2.676 6.198 6 HB2 LEU 25 2HB LEU 25 13.709 -0.699 4.649 7 HB3 LEU 25 1HB LEU 25 14.237 -0.926 2.994 8 HD11 LEU 25 1HD1 LEU 25 11.035 -2.674 2.972 9 HD12 LEU 25 2HD1 LEU 25 12.014 -1.423 2.204 10 HD13 LEU 25 3HD1 LEU 25 11.357 -1.161 3.819 11 HD21 LEU 25 1HD2 LEU 25 14.414 -4.069 3.346 12 HD22 LEU 25 2HD2 LEU 25 13.818 -3.236 1.910 13 HD23 LEU 25 3HD2 LEU 25 12.780 -4.382 2.759 14 H SER 26 H SER 26 17.177 -2.057 2.624 15 HA SER 26 HA SER 26 18.830 0.114 3.472 16 HG SER 26 HG SER 26 20.107 -1.993 3.153 17 HB2 SER 26 2HB SER 26 18.777 -1.225 0.756 18 HB3 SER 26 1HB SER 26 20.118 -0.340 1.485 19 H GLU 27 H GLU 27 19.223 2.068 2.130 20 HA GLU 27 HA GLU 27 16.729 3.331 1.631 21 HB2 GLU 27 2HB GLU 27 19.485 4.353 0.945 22 HB3 GLU 27 1HB GLU 27 18.015 5.312 1.086 23 HG2 GLU 27 2HG GLU 27 17.956 4.276 3.496 24 HG3 GLU 27 1HG GLU 27 19.685 4.075 3.211 25 H GLU 28 H GLU 28 18.971 1.667 -0.411 26 HA GLU 28 HA GLU 28 18.069 2.532 -2.926 27 HB2 GLU 28 2HB GLU 28 18.835 0.324 -3.741 28 HB3 GLU 28 1HB GLU 28 20.023 1.094 -2.698 29 HG2 GLU 28 2HG GLU 28 19.376 -0.322 -0.852 30 HG3 GLU 28 1HG GLU 28 18.089 -1.045 -1.819 31 H GLN 29 H GLN 29 16.851 0.133 -0.674 32 HA GLN 29 HA GLN 29 14.738 -0.817 -2.314 33 HB2 GLN 29 2HB GLN 29 14.890 -0.925 0.699 34 HB3 GLN 29 1HB GLN 29 14.073 -2.029 -0.383 35 HG2 GLN 29 2HG GLN 29 17.049 -1.698 -0.272 36 HG3 GLN 29 1HG GLN 29 16.152 -2.927 0.613 37 HE21 GLN 29 1HE2 GLN 29 17.243 -4.572 -0.430 38 HE22 GLN 29 2HE2 GLN 29 16.912 -4.996 -2.075 39 H LYS 30 H LYS 30 15.129 1.615 0.183 40 HA LYS 30 HA LYS 30 12.485 2.449 0.450 41 HB2 LYS 30 2HB LYS 30 15.126 3.808 0.794 42 HB3 LYS 30 1HB LYS 30 13.649 4.763 0.854 43 HG2 LYS 30 2HG LYS 30 12.860 3.664 2.718 44 HG3 LYS 30 1HG LYS 30 13.968 2.321 2.519 45 HD2 LYS 30 2HD LYS 30 14.771 3.619 4.344 46 HD3 LYS 30 1HD LYS 30 15.844 3.935 2.977 47 HE2 LYS 30 2HE LYS 30 14.623 5.988 2.497 48 HE3 LYS 30 1HE LYS 30 13.542 5.667 3.850 49 HZ1 LYS 30 1HZ LYS 30 15.512 5.773 5.323 50 HZ2 LYS 30 2HZ LYS 30 15.190 7.234 4.530 51 HZ3 LYS 30 3HZ LYS 30 16.457 6.244 3.994 52 H GLN 31 H GLN 31 14.976 3.444 -1.860 53 HA GLN 31 HA GLN 31 13.680 5.550 -3.045 54 HB2 GLN 31 2HB GLN 31 15.508 3.493 -4.269 55 HB3 GLN 31 1HB GLN 31 14.950 4.912 -5.144 56 HG2 GLN 31 2HG GLN 31 15.987 6.345 -3.445 57 HG3 GLN 31 1HG GLN 31 16.580 4.905 -2.615 58 HE21 GLN 31 1HE2 GLN 31 18.037 7.140 -3.846 59 HE22 GLN 31 2HE2 GLN 31 19.093 6.415 -5.019 60 H GLU 32 H GLU 32 13.238 2.101 -3.729 61 HA GLU 32 HA GLU 32 11.502 2.554 -5.949 62 HB2 GLU 32 2HB GLU 32 11.894 0.098 -4.237 63 HB3 GLU 32 1HB GLU 32 10.953 0.142 -5.721 64 HG2 GLU 32 2HG GLU 32 13.013 0.873 -6.918 65 HG3 GLU 32 1HG GLU 32 13.908 0.599 -5.425 66 H ILE 33 H ILE 33 10.945 1.812 -2.536 67 HA ILE 33 HA ILE 33 8.094 1.616 -2.864 68 HB ILE 33 HB ILE 33 9.881 1.618 -0.442 69 HG12 ILE 33 2HG1 ILE 33 8.309 -0.500 -1.906 70 HG13 ILE 33 1HG1 ILE 33 10.059 -0.365 -1.788 71 HG21 ILE 33 1HG2 ILE 33 7.923 0.961 0.879 72 HG22 ILE 33 2HG2 ILE 33 6.892 1.262 -0.521 73 HG23 ILE 33 3HG2 ILE 33 7.773 2.594 0.229 74 HD11 ILE 33 1HD1 ILE 33 9.186 -2.126 -0.360 75 HD12 ILE 33 2HD1 ILE 33 8.186 -0.943 0.490 76 HD13 ILE 33 3HD1 ILE 33 9.947 -0.847 0.587 77 H LYS 34 H LYS 34 10.294 3.933 -1.389 78 HA LYS 34 HA LYS 34 8.555 5.844 -0.370 79 HB2 LYS 34 2HB LYS 34 11.194 5.596 -0.479 80 HB3 LYS 34 1HB LYS 34 11.011 6.627 -1.876 81 HG2 LYS 34 2HG LYS 34 11.588 7.962 -0.027 82 HG3 LYS 34 1HG LYS 34 9.904 8.305 -0.433 83 HD2 LYS 34 2HD LYS 34 10.273 8.120 1.987 84 HD3 LYS 34 1HD LYS 34 9.177 6.868 1.389 85 HE2 LYS 34 2HE LYS 34 10.805 5.207 1.531 86 HE3 LYS 34 1HE LYS 34 12.120 6.377 1.624 87 HZ1 LYS 34 1HZ LYS 34 11.723 6.790 3.832 88 HZ2 LYS 34 2HZ LYS 34 11.301 5.149 3.761 89 HZ3 LYS 34 3HZ LYS 34 10.095 6.340 3.753 90 H GLU 35 H GLU 35 9.867 5.441 -3.596 91 HA GLU 35 HA GLU 35 8.703 7.840 -4.633 92 HB2 GLU 35 2HB GLU 35 10.893 6.705 -5.270 93 HB3 GLU 35 1HB GLU 35 9.909 5.571 -6.190 94 HG2 GLU 35 2HG GLU 35 9.027 7.398 -7.539 95 HG3 GLU 35 1HG GLU 35 9.999 8.550 -6.618 96 H ALA 36 H ALA 36 7.916 4.411 -4.639 97 HA ALA 36 HA ALA 36 5.781 4.554 -6.503 98 HB1 ALA 36 1HB ALA 36 5.067 2.414 -5.576 99 HB2 ALA 36 2HB ALA 36 6.163 2.624 -4.210 100 HB3 ALA 36 3HB ALA 36 6.812 2.422 -5.836 101 H PHE 37 H PHE 37 6.085 5.049 -3.042 102 HA PHE 37 HA PHE 37 3.400 5.439 -2.398 103 HD1 PHE 37 1HD PHE 37 2.833 5.081 0.101 104 HD2 PHE 37 2HD PHE 37 5.184 8.619 -0.058 105 HE1 PHE 37 1HE PHE 37 1.394 6.106 1.794 106 HE2 PHE 37 2HE PHE 37 3.750 9.654 1.641 107 HZ PHE 37 HZ PHE 37 1.890 8.390 2.621 108 HB2 PHE 37 2HB PHE 37 5.247 5.177 -0.777 109 HB3 PHE 37 1HB PHE 37 5.856 6.764 -1.232 110 H ASP 38 H ASP 38 5.897 7.769 -3.414 111 HA ASP 38 HA ASP 38 4.285 10.061 -3.563 112 HB2 ASP 38 2HB ASP 38 6.654 9.262 -5.270 113 HB3 ASP 38 1HB ASP 38 5.931 10.866 -5.271 114 H LEU 39 H LEU 39 4.995 7.556 -5.922 115 HA LEU 39 HA LEU 39 3.626 8.563 -8.136 116 HG LEU 39 HG LEU 39 4.143 5.118 -9.653 117 HB2 LEU 39 2HB LEU 39 5.182 6.704 -8.264 118 HB3 LEU 39 1HB LEU 39 4.156 5.727 -7.242 119 HD11 LEU 39 1HD1 LEU 39 1.795 4.719 -9.862 120 HD12 LEU 39 2HD1 LEU 39 1.481 5.887 -8.577 121 HD13 LEU 39 3HD1 LEU 39 2.359 4.403 -8.218 122 HD21 LEU 39 1HD2 LEU 39 2.691 7.724 -9.960 123 HD22 LEU 39 2HD2 LEU 39 2.796 6.474 -11.199 124 HD23 LEU 39 3HD2 LEU 39 4.256 7.303 -10.661 125 H PHE 40 H PHE 40 2.535 6.181 -5.725 126 HA PHE 40 HA PHE 40 0.079 5.835 -7.069 127 HD1 PHE 40 1HD PHE 40 -0.701 3.731 -7.485 128 HD2 PHE 40 2HD PHE 40 2.535 3.072 -4.802 129 HE1 PHE 40 1HE PHE 40 -0.037 1.751 -8.781 130 HE2 PHE 40 2HE PHE 40 3.204 1.090 -6.096 131 HZ PHE 40 HZ PHE 40 1.896 0.400 -8.058 132 HB2 PHE 40 2HB PHE 40 1.172 4.858 -4.462 133 HB3 PHE 40 1HB PHE 40 -0.517 4.580 -4.872 134 H ASP 41 H ASP 41 1.133 7.869 -4.419 135 HA ASP 41 HA ASP 41 -1.361 8.778 -3.490 136 HB2 ASP 41 2HB ASP 41 0.614 9.416 -2.276 137 HB3 ASP 41 1HB ASP 41 1.328 10.158 -3.699 138 H THR 42 H THR 42 -2.853 9.113 -5.047 139 HA THR 42 HA THR 42 -2.167 11.059 -7.147 140 HB THR 42 HB THR 42 -4.202 9.931 -8.336 141 HG1 THR 42 1HG THR 42 -3.469 8.061 -6.324 142 HG21 THR 42 1HG2 THR 42 -1.900 9.894 -9.160 143 HG22 THR 42 2HG2 THR 42 -2.684 8.334 -9.409 144 HG23 THR 42 3HG2 THR 42 -1.529 8.543 -8.090 145 H ASN 43 H ASN 43 -4.083 10.502 -4.417 146 HA ASN 43 HA ASN 43 -6.037 12.526 -5.109 147 HB2 ASN 43 2HB ASN 43 -7.012 12.159 -3.024 148 HB3 ASN 43 1HB ASN 43 -6.321 10.584 -3.380 149 HD21 ASN 43 1HD2 ASN 43 -4.579 9.837 -2.171 150 HD22 ASN 43 2HD2 ASN 43 -4.048 10.636 -0.729 151 H LYS 44 H LYS 44 -2.872 12.320 -3.976 152 HA LYS 44 HA LYS 44 -1.264 13.823 -3.568 153 HB2 LYS 44 2HB LYS 44 -2.227 14.966 -5.537 154 HB3 LYS 44 1HB LYS 44 -3.272 15.886 -4.470 155 HG2 LYS 44 2HG LYS 44 -1.412 17.245 -5.143 156 HG3 LYS 44 1HG LYS 44 -1.284 16.892 -3.422 157 HD2 LYS 44 2HD LYS 44 0.138 15.149 -5.392 158 HD3 LYS 44 1HD LYS 44 0.821 16.719 -4.971 159 HE2 LYS 44 2HE LYS 44 0.765 16.074 -2.593 160 HE3 LYS 44 1HE LYS 44 0.138 14.493 -3.051 161 HZ1 LYS 44 1HZ LYS 44 2.773 15.612 -3.845 162 HZ2 LYS 44 2HZ LYS 44 2.173 14.090 -4.295 163 HZ3 LYS 44 3HZ LYS 44 2.513 14.422 -2.666 164 H THR 45 H THR 45 -1.458 13.229 -1.358 165 HA THR 45 HA THR 45 -1.857 15.616 0.257 166 HB THR 45 HB THR 45 -4.030 14.495 0.464 167 HG1 THR 45 1HG THR 45 -3.908 15.245 2.432 168 HG21 THR 45 1HG2 THR 45 -3.398 12.197 0.031 169 HG22 THR 45 2HG2 THR 45 -4.174 12.304 1.611 170 HG23 THR 45 3HG2 THR 45 -2.421 12.156 1.500 171 H GLY 46 H GLY 46 -0.482 12.459 -0.248 172 HA2 GLY 46 2HA GLY 46 1.779 12.058 0.531 173 HA3 GLY 46 1HA GLY 46 1.398 13.001 1.966 174 H SER 47 H SER 47 -0.907 10.758 0.709 175 HA SER 47 HA SER 47 -0.072 8.501 2.224 176 HG SER 47 HG SER 47 -2.295 11.232 3.311 177 HB2 SER 47 2HB SER 47 -2.048 8.461 3.758 178 HB3 SER 47 1HB SER 47 -0.909 9.755 4.117 179 H ILE 48 H ILE 48 -1.841 6.768 2.141 180 HA ILE 48 HA ILE 48 -2.960 6.936 -0.570 181 HB ILE 48 HB ILE 48 -2.305 4.485 1.074 182 HG12 ILE 48 2HG1 ILE 48 -0.282 5.683 0.384 183 HG13 ILE 48 1HG1 ILE 48 -0.439 4.172 -0.506 184 HG21 ILE 48 1HG2 ILE 48 -2.678 3.240 -1.008 185 HG22 ILE 48 2HG2 ILE 48 -3.181 4.733 -1.802 186 HG23 ILE 48 3HG2 ILE 48 -4.135 4.080 -0.471 187 HD11 ILE 48 1HD1 ILE 48 -1.131 6.910 -1.540 188 HD12 ILE 48 2HD1 ILE 48 -1.283 5.399 -2.437 189 HD13 ILE 48 3HD1 ILE 48 0.309 5.978 -1.943 190 H ASP 49 H ASP 49 -5.063 6.772 -0.925 191 HA ASP 49 HA ASP 49 -6.860 6.162 1.320 192 HB2 ASP 49 2HB ASP 49 -7.287 8.289 0.219 193 HB3 ASP 49 1HB ASP 49 -7.339 7.509 -1.355 194 H TYR 50 H TYR 50 -8.648 4.710 0.939 195 HA TYR 50 HA TYR 50 -7.768 2.284 -0.094 196 HD1 TYR 50 1HD TYR 50 -11.956 2.997 -0.824 197 HD2 TYR 50 2HD TYR 50 -9.970 4.160 2.756 198 HE1 TYR 50 1HE TYR 50 -13.703 4.675 -0.401 199 HE2 TYR 50 2HE TYR 50 -11.712 5.837 3.184 200 HH TYR 50 HH TYR 50 -13.347 7.151 1.860 201 HB2 TYR 50 2HB TYR 50 -10.204 1.575 0.211 202 HB3 TYR 50 1HB TYR 50 -9.334 2.144 1.631 203 H HIS 51 H HIS 51 -9.593 4.816 -1.733 204 HA HIS 51 HA HIS 51 -10.489 2.957 -3.748 205 HD1 HIS 51 1HD HIS 51 -11.440 7.386 -2.474 206 HD2 HIS 51 2HD HIS 51 -9.410 6.418 -5.975 207 HE1 HIS 51 1HE HIS 51 -10.513 9.553 -3.343 208 HE2 HIS 51 2HE HIS 51 -9.357 8.965 -5.503 209 HB2 HIS 51 2HB HIS 51 -11.616 4.721 -4.823 210 HB3 HIS 51 1HB HIS 51 -11.785 5.031 -3.100 211 H GLU 52 H GLU 52 -7.673 4.895 -3.263 212 HA GLU 52 HA GLU 52 -6.879 4.442 -6.046 213 HB2 GLU 52 2HB GLU 52 -5.108 5.988 -5.739 214 HB3 GLU 52 1HB GLU 52 -6.541 6.705 -5.025 215 HG2 GLU 52 2HG GLU 52 -5.680 5.818 -2.807 216 HG3 GLU 52 1HG GLU 52 -4.155 5.539 -3.652 217 H LEU 53 H LEU 53 -6.695 2.939 -3.080 218 HA LEU 53 HA LEU 53 -4.198 1.658 -3.165 219 HG LEU 53 HG LEU 53 -4.170 0.679 -0.719 220 HB2 LEU 53 2HB LEU 53 -6.275 1.575 -1.472 221 HB3 LEU 53 1HB LEU 53 -6.625 0.113 -2.365 222 HD11 LEU 53 1HD1 LEU 53 -6.352 -1.359 -0.440 223 HD12 LEU 53 2HD1 LEU 53 -6.153 0.087 0.548 224 HD13 LEU 53 3HD1 LEU 53 -4.947 -1.198 0.611 225 HD21 LEU 53 1HD2 LEU 53 -3.371 -1.507 -1.276 226 HD22 LEU 53 2HD2 LEU 53 -3.577 -0.564 -2.753 227 HD23 LEU 53 3HD2 LEU 53 -4.771 -1.785 -2.309 228 H LYS 54 H LYS 54 -7.093 1.309 -4.995 229 HA LYS 54 HA LYS 54 -6.837 -1.302 -5.943 230 HB2 LYS 54 2HB LYS 54 -8.167 1.078 -7.239 231 HB3 LYS 54 1HB LYS 54 -8.436 -0.605 -7.677 232 HG2 LYS 54 2HG LYS 54 -9.401 -1.080 -5.531 233 HG3 LYS 54 1HG LYS 54 -8.962 0.522 -4.935 234 HD2 LYS 54 2HD LYS 54 -11.324 0.460 -5.491 235 HD3 LYS 54 1HD LYS 54 -10.466 1.543 -6.587 236 HE2 LYS 54 2HE LYS 54 -10.392 -0.293 -8.258 237 HE3 LYS 54 1HE LYS 54 -11.373 -1.274 -7.166 238 HZ1 LYS 54 1HZ LYS 54 -12.775 -0.230 -8.796 239 HZ2 LYS 54 2HZ LYS 54 -12.166 1.307 -8.407 240 HZ3 LYS 54 3HZ LYS 54 -13.095 0.454 -7.276 241 H VAL 55 H VAL 55 -5.416 1.715 -7.157 242 HA VAL 55 HA VAL 55 -4.450 0.459 -9.553 243 HB VAL 55 HB VAL 55 -3.120 2.477 -9.928 244 HG11 VAL 55 1HG1 VAL 55 -4.975 4.103 -10.054 245 HG12 VAL 55 2HG1 VAL 55 -5.958 3.017 -9.071 246 HG13 VAL 55 3HG1 VAL 55 -5.409 2.508 -10.669 247 HG21 VAL 55 1HG2 VAL 55 -4.145 3.402 -7.253 248 HG22 VAL 55 2HG2 VAL 55 -3.220 4.368 -8.401 249 HG23 VAL 55 3HG2 VAL 55 -2.479 2.964 -7.633 250 H ALA 56 H ALA 56 -3.229 1.020 -6.329 251 HA ALA 56 HA ALA 56 -0.542 0.271 -6.798 252 HB1 ALA 56 1HB ALA 56 -0.407 -0.072 -4.387 253 HB2 ALA 56 2HB ALA 56 -2.166 0.002 -4.267 254 HB3 ALA 56 3HB ALA 56 -1.255 1.430 -4.757 255 H MET 57 H MET 57 -3.298 -1.550 -5.479 256 HA MET 57 HA MET 57 -2.177 -4.088 -5.445 257 HB2 MET 57 2HB MET 57 -5.027 -3.363 -6.136 258 HB3 MET 57 1HB MET 57 -4.472 -4.952 -5.632 259 HG2 MET 57 2HG MET 57 -4.475 -2.437 -4.012 260 HG3 MET 57 1HG MET 57 -5.481 -3.866 -3.783 261 HE1 MET 57 1HE MET 57 -4.952 -5.720 -2.322 262 HE2 MET 57 2HE MET 57 -4.938 -4.251 -1.344 263 HE3 MET 57 3HE MET 57 -3.720 -5.502 -1.075 264 H ARG 58 H ARG 58 -3.617 -2.331 -8.133 265 HA ARG 58 HA ARG 58 -3.635 -4.424 -10.003 266 HE ARG 58 HE ARG 58 -3.858 -2.407 -14.718 267 HB2 ARG 58 2HB ARG 58 -4.857 -2.334 -10.350 268 HB3 ARG 58 1HB ARG 58 -3.341 -1.449 -10.450 269 HG2 ARG 58 2HG ARG 58 -2.752 -2.643 -12.479 270 HG3 ARG 58 1HG ARG 58 -4.239 -3.589 -12.368 271 HD2 ARG 58 2HD ARG 58 -5.539 -1.495 -12.544 272 HD3 ARG 58 1HD ARG 58 -4.030 -0.604 -12.748 273 HH11 ARG 58 1HH1 ARG 58 -6.416 -0.215 -13.756 274 HH12 ARG 58 2HH1 ARG 58 -7.122 -0.138 -15.343 275 HH21 ARG 58 1HH2 ARG 58 -4.763 -2.285 -16.805 276 HH22 ARG 58 2HH2 ARG 58 -6.160 -1.293 -17.092 277 H ALA 59 H ALA 59 -1.258 -1.803 -9.558 278 HA ALA 59 HA ALA 59 0.536 -2.655 -11.529 279 HB1 ALA 59 1HB ALA 59 2.147 -1.173 -10.471 280 HB2 ALA 59 2HB ALA 59 1.141 -1.092 -9.025 281 HB3 ALA 59 3HB ALA 59 0.555 -0.416 -10.543 282 H LEU 60 H LEU 60 0.351 -3.463 -8.094 283 HA LEU 60 HA LEU 60 2.768 -4.974 -8.044 284 HG LEU 60 HG LEU 60 1.503 -2.854 -6.259 285 HB2 LEU 60 2HB LEU 60 0.368 -5.105 -6.222 286 HB3 LEU 60 1HB LEU 60 1.936 -5.817 -5.892 287 HD11 LEU 60 1HD1 LEU 60 0.227 -3.682 -4.354 288 HD12 LEU 60 2HD1 LEU 60 1.599 -2.700 -3.834 289 HD13 LEU 60 3HD1 LEU 60 1.676 -4.459 -3.718 290 HD21 LEU 60 1HD2 LEU 60 3.795 -4.440 -5.099 291 HD22 LEU 60 2HD2 LEU 60 3.692 -2.682 -5.192 292 HD23 LEU 60 3HD2 LEU 60 3.786 -3.639 -6.670 293 H GLY 61 H GLY 61 -0.658 -5.814 -8.332 294 HA2 GLY 61 2HA GLY 61 -1.299 -7.618 -9.789 295 HA3 GLY 61 1HA GLY 61 0.167 -8.465 -9.324 296 H PHE 62 H PHE 62 -2.748 -7.069 -7.829 297 HA PHE 62 HA PHE 62 -2.949 -9.530 -6.224 298 HD1 PHE 62 2HD PHE 62 -2.319 -9.832 -3.862 299 HD2 PHE 62 1HD PHE 62 -1.636 -5.721 -4.707 300 HE1 PHE 62 2HE PHE 62 -0.227 -9.919 -2.580 301 HE2 PHE 62 1HE PHE 62 0.460 -5.801 -3.422 302 HZ PHE 62 HZ PHE 62 1.128 -7.875 -2.291 303 HB2 PHE 62 2HB PHE 62 -3.578 -6.696 -5.424 304 HB3 PHE 62 1HB PHE 62 -4.190 -8.087 -4.539 305 H ASP 63 H ASP 63 -4.925 -10.447 -5.974 306 HA ASP 63 HA ASP 63 -7.035 -9.519 -7.800 307 HB2 ASP 63 2HB ASP 63 -7.845 -11.811 -7.751 308 HB3 ASP 63 1HB ASP 63 -6.124 -11.821 -8.118 309 H VAL 64 H VAL 64 -6.496 -8.431 -5.135 310 HA VAL 64 HA VAL 64 -8.051 -9.623 -3.133 311 HB VAL 64 HB VAL 64 -7.783 -7.496 -1.897 312 HG11 VAL 64 1HG1 VAL 64 -5.323 -7.581 -1.780 313 HG12 VAL 64 2HG1 VAL 64 -5.302 -8.556 -3.250 314 HG13 VAL 64 3HG1 VAL 64 -6.051 -9.188 -1.783 315 HG21 VAL 64 1HG2 VAL 64 -7.944 -5.941 -3.764 316 HG22 VAL 64 2HG2 VAL 64 -6.436 -6.565 -4.433 317 HG23 VAL 64 3HG2 VAL 64 -6.427 -5.705 -2.894 318 H LYS 65 H LYS 65 -8.893 -7.294 -5.574 319 HA LYS 65 HA LYS 65 -10.847 -6.268 -6.137 320 HB2 LYS 65 2HB LYS 65 -12.072 -8.521 -4.527 321 HB3 LYS 65 1HB LYS 65 -12.958 -7.455 -5.606 322 HG2 LYS 65 2HG LYS 65 -10.825 -9.436 -6.384 323 HG3 LYS 65 1HG LYS 65 -12.559 -9.576 -6.678 324 HD2 LYS 65 2HD LYS 65 -11.928 -8.777 -8.712 325 HD3 LYS 65 1HD LYS 65 -12.136 -7.235 -7.880 326 HE2 LYS 65 2HE LYS 65 -9.702 -7.292 -7.329 327 HE3 LYS 65 1HE LYS 65 -9.557 -8.726 -8.347 328 HZ1 LYS 65 1HZ LYS 65 -10.417 -7.376 -10.211 329 HZ2 LYS 65 2HZ LYS 65 -8.938 -6.809 -9.602 330 HZ3 LYS 65 3HZ LYS 65 -10.379 -6.003 -9.208 331 H LYS 66 H LYS 66 -13.267 -5.971 -4.604 332 HA LYS 66 HA LYS 66 -12.440 -3.824 -2.943 333 HB2 LYS 66 2HB LYS 66 -15.146 -5.107 -3.272 334 HB3 LYS 66 1HB LYS 66 -14.854 -3.668 -2.307 335 HG2 LYS 66 2HG LYS 66 -13.982 -2.555 -4.354 336 HG3 LYS 66 1HG LYS 66 -14.480 -3.975 -5.275 337 HD2 LYS 66 2HD LYS 66 -16.300 -2.223 -3.622 338 HD3 LYS 66 1HD LYS 66 -16.153 -2.182 -5.380 339 HE2 LYS 66 2HE LYS 66 -17.096 -4.524 -3.726 340 HE3 LYS 66 1HE LYS 66 -18.117 -3.457 -4.691 341 HZ1 LYS 66 1HZ LYS 66 -16.015 -5.298 -5.705 342 HZ2 LYS 66 2HZ LYS 66 -16.864 -4.193 -6.669 343 HZ3 LYS 66 3HZ LYS 66 -17.690 -5.461 -5.905 344 HA PRO 67 HA PRO 67 -14.321 -6.608 0.682 345 HB2 PRO 67 2HB PRO 67 -13.507 -9.262 0.347 346 HB3 PRO 67 1HB PRO 67 -15.142 -8.638 0.126 347 HG2 PRO 67 2HG PRO 67 -13.021 -9.165 -1.901 348 HG3 PRO 67 1HG PRO 67 -14.772 -9.430 -2.010 349 HD2 PRO 67 2HD PRO 67 -13.639 -7.362 -3.226 350 HD3 PRO 67 1HD PRO 67 -15.206 -7.178 -2.410 351 H GLU 68 H GLU 68 -11.304 -7.689 -0.883 352 HA GLU 68 HA GLU 68 -10.062 -8.000 1.714 353 HB2 GLU 68 2HB GLU 68 -8.788 -8.285 -1.006 354 HB3 GLU 68 1HB GLU 68 -8.153 -8.871 0.525 355 HG2 GLU 68 2HG GLU 68 -10.656 -9.846 -0.833 356 HG3 GLU 68 1HG GLU 68 -9.100 -10.669 -0.818 357 H ILE 69 H ILE 69 -10.244 -5.587 -0.765 358 HA ILE 69 HA ILE 69 -7.696 -4.386 -0.190 359 HB ILE 69 HB ILE 69 -9.014 -4.334 -2.419 360 HG12 ILE 69 2HG1 ILE 69 -7.766 -1.759 -1.473 361 HG13 ILE 69 1HG1 ILE 69 -6.832 -3.206 -1.848 362 HG21 ILE 69 1HG2 ILE 69 -10.178 -1.890 -1.090 363 HG22 ILE 69 2HG2 ILE 69 -11.071 -3.337 -1.556 364 HG23 ILE 69 3HG2 ILE 69 -10.334 -2.318 -2.793 365 HD11 ILE 69 1HD1 ILE 69 -6.855 -1.643 -3.708 366 HD12 ILE 69 2HD1 ILE 69 -8.616 -1.727 -3.763 367 HD13 ILE 69 3HD1 ILE 69 -7.652 -3.159 -4.128 368 H LEU 70 H LEU 70 -11.061 -3.629 0.719 369 HA LEU 70 HA LEU 70 -10.158 -1.269 2.080 370 HG LEU 70 HG LEU 70 -14.301 -2.314 2.458 371 HB2 LEU 70 2HB LEU 70 -12.355 -0.790 2.646 372 HB3 LEU 70 1HB LEU 70 -12.505 -1.587 1.102 373 HD11 LEU 70 1HD1 LEU 70 -13.340 -4.064 1.126 374 HD12 LEU 70 2HD1 LEU 70 -13.936 -4.717 2.653 375 HD13 LEU 70 3HD1 LEU 70 -12.204 -4.460 2.419 376 HD21 LEU 70 1HD2 LEU 70 -12.282 -3.035 4.571 377 HD22 LEU 70 2HD2 LEU 70 -14.021 -3.350 4.651 378 HD23 LEU 70 3HD2 LEU 70 -13.426 -1.689 4.635 379 H GLU 71 H GLU 71 -10.838 -4.615 2.938 380 HA GLU 71 HA GLU 71 -10.614 -4.211 5.738 381 HB2 GLU 71 2HB GLU 71 -11.685 -6.214 4.830 382 HB3 GLU 71 1HB GLU 71 -10.163 -6.722 4.115 383 HG2 GLU 71 2HG GLU 71 -10.785 -7.887 6.235 384 HG3 GLU 71 1HG GLU 71 -9.196 -7.128 6.235 385 H LEU 72 H LEU 72 -8.324 -4.859 3.163 386 HA LEU 72 HA LEU 72 -6.090 -5.313 4.743 387 HG LEU 72 HG LEU 72 -3.866 -4.812 3.621 388 HB2 LEU 72 2HB LEU 72 -6.055 -5.654 2.327 389 HB3 LEU 72 1HB LEU 72 -6.250 -3.933 2.064 390 HD11 LEU 72 1HD1 LEU 72 -4.095 -5.092 0.626 391 HD12 LEU 72 2HD1 LEU 72 -3.938 -6.418 1.778 392 HD13 LEU 72 3HD1 LEU 72 -2.618 -5.267 1.573 393 HD21 LEU 72 1HD2 LEU 72 -4.301 -2.438 3.222 394 HD22 LEU 72 2HD2 LEU 72 -4.315 -2.727 1.483 395 HD23 LEU 72 3HD2 LEU 72 -2.830 -2.961 2.403 396 H MET 73 H MET 73 -7.820 -2.398 4.010 397 HA MET 73 HA MET 73 -5.742 -0.781 5.249 398 HB2 MET 73 2HB MET 73 -8.320 -0.088 3.873 399 HB3 MET 73 1HB MET 73 -7.431 1.098 4.817 400 HG2 MET 73 2HG MET 73 -5.423 0.449 3.361 401 HG3 MET 73 1HG MET 73 -6.622 -0.283 2.294 402 HE1 MET 73 1HE MET 73 -5.578 3.043 4.118 403 HE2 MET 73 2HE MET 73 -7.289 2.838 4.504 404 HE3 MET 73 3HE MET 73 -6.774 4.165 3.463 405 H ASN 74 H ASN 74 -8.943 -2.030 5.866 406 HA ASN 74 HA ASN 74 -9.528 -0.596 8.173 407 HB2 ASN 74 2HB ASN 74 -11.231 -1.920 7.155 408 HB3 ASN 74 1HB ASN 74 -10.285 -3.394 7.334 409 HD21 ASN 74 1HD2 ASN 74 -10.281 -4.466 9.210 410 HD22 ASN 74 2HD2 ASN 74 -11.298 -4.058 10.562 411 H GLU 75 H GLU 75 -7.792 -3.708 7.860 412 HA GLU 75 HA GLU 75 -7.195 -3.841 10.641 413 HB2 GLU 75 2HB GLU 75 -5.723 -5.689 10.066 414 HB3 GLU 75 1HB GLU 75 -7.261 -5.843 9.230 415 HG2 GLU 75 2HG GLU 75 -6.287 -5.114 7.172 416 HG3 GLU 75 1HG GLU 75 -4.767 -4.727 7.976 417 H TYR 76 H TYR 76 -5.427 -2.515 7.866 418 HA TYR 76 HA TYR 76 -2.993 -2.168 9.362 419 HD1 TYR 76 1HD TYR 76 -3.832 -4.058 6.699 420 HD2 TYR 76 2HD TYR 76 -0.390 -1.597 7.055 421 HE1 TYR 76 1HE TYR 76 -2.420 -5.956 6.039 422 HE2 TYR 76 2HE TYR 76 1.040 -3.489 6.395 423 HH TYR 76 HH TYR 76 -0.180 -6.318 4.998 424 HB2 TYR 76 2HB TYR 76 -3.888 -1.456 6.603 425 HB3 TYR 76 1HB TYR 76 -2.486 -0.630 7.272 426 H ASP 77 H ASP 77 -5.529 0.008 8.186 427 HA ASP 77 HA ASP 77 -4.305 2.404 9.052 428 HB2 ASP 77 2HB ASP 77 -6.138 2.206 7.330 429 HB3 ASP 77 1HB ASP 77 -7.263 1.917 8.645 430 H ARG 78 H ARG 78 -4.021 3.108 10.969 431 HA ARG 78 HA ARG 78 -5.062 2.087 13.347 432 HE ARG 78 HE ARG 78 -5.782 6.364 12.306 433 HB2 ARG 78 2HB ARG 78 -4.361 4.600 14.069 434 HB3 ARG 78 1HB ARG 78 -3.233 3.266 13.898 435 HG2 ARG 78 2HG ARG 78 -2.454 5.339 12.836 436 HG3 ARG 78 1HG ARG 78 -2.610 4.004 11.700 437 HD2 ARG 78 2HD ARG 78 -3.428 6.077 10.735 438 HD3 ARG 78 1HD ARG 78 -4.732 4.919 10.908 439 HH11 ARG 78 1HH1 ARG 78 -2.422 7.319 12.011 440 HH12 ARG 78 2HH1 ARG 78 -2.622 8.784 12.930 441 HH21 ARG 78 1HH2 ARG 78 -6.059 8.313 13.484 442 HH22 ARG 78 2HH2 ARG 78 -4.694 9.365 13.724 443 H GLU 79 H GLU 79 -5.684 4.626 14.638 444 HA GLU 79 HA GLU 79 -8.512 4.597 14.329 445 HB2 GLU 79 2HB GLU 79 -8.370 6.499 16.019 446 HB3 GLU 79 1HB GLU 79 -7.719 4.944 16.523 447 HG2 GLU 79 2HG GLU 79 -5.461 5.723 16.009 448 HG3 GLU 79 1HG GLU 79 -6.116 7.284 15.510 449 H GLY 80 H GLY 80 -8.116 5.148 11.937 450 HA2 GLY 80 2HA GLY 80 -8.965 7.938 11.684 451 HA3 GLY 80 1HA GLY 80 -7.590 7.423 10.709 452 H ASN 81 H ASN 81 -8.210 4.975 9.909 453 HA ASN 81 HA ASN 81 -9.324 3.783 8.355 454 HB2 ASN 81 2HB ASN 81 -11.760 5.028 9.651 455 HB3 ASN 81 1HB ASN 81 -11.799 3.667 8.532 456 HD21 ASN 81 1HD2 ASN 81 -11.001 1.666 9.206 457 HD22 ASN 81 2HD2 ASN 81 -10.759 1.294 10.878 458 H GLY 82 H GLY 82 -8.201 5.759 7.183 459 HA2 GLY 82 2HA GLY 82 -10.077 6.587 5.121 460 HA3 GLY 82 1HA GLY 82 -9.362 7.901 6.049 461 H TYR 83 H TYR 83 -6.846 7.301 6.419 462 HA TYR 83 HA TYR 83 -5.714 6.364 3.888 463 HD1 TYR 83 2HD TYR 83 -5.729 8.571 1.750 464 HD2 TYR 83 1HD TYR 83 -6.479 10.243 5.587 465 HE1 TYR 83 2HE TYR 83 -7.358 10.114 0.753 466 HE2 TYR 83 1HE TYR 83 -8.113 11.790 4.602 467 HH TYR 83 HH TYR 83 -8.556 12.803 2.339 468 HB2 TYR 83 2HB TYR 83 -4.573 8.800 5.217 469 HB3 TYR 83 1HB TYR 83 -4.222 8.164 3.627 470 H ILE 84 H ILE 84 -3.670 5.528 4.080 471 HA ILE 84 HA ILE 84 -2.813 4.950 6.830 472 HB ILE 84 HB ILE 84 -1.501 3.111 5.842 473 HG12 ILE 84 2HG1 ILE 84 -2.478 4.366 3.324 474 HG13 ILE 84 1HG1 ILE 84 -0.935 3.604 3.674 475 HG21 ILE 84 1HG2 ILE 84 -3.404 1.668 5.258 476 HG22 ILE 84 2HG2 ILE 84 -4.427 3.098 5.114 477 HG23 ILE 84 3HG2 ILE 84 -3.733 2.663 6.677 478 HD11 ILE 84 1HD1 ILE 84 -2.198 2.362 2.025 479 HD12 ILE 84 2HD1 ILE 84 -3.529 2.185 3.167 480 HD13 ILE 84 3HD1 ILE 84 -1.976 1.414 3.497 481 H GLY 85 H GLY 85 -0.372 4.753 7.082 482 HA2 GLY 85 2HA GLY 85 0.809 7.133 5.809 483 HA3 GLY 85 1HA GLY 85 1.347 6.396 7.319 484 H PHE 86 H PHE 86 3.242 6.962 5.434 485 HA PHE 86 HA PHE 86 3.728 5.128 3.454 486 HD1 PHE 86 1HD PHE 86 5.669 5.992 1.583 487 HD2 PHE 86 2HD PHE 86 7.496 4.908 5.263 488 HE1 PHE 86 1HE PHE 86 7.391 4.776 0.362 489 HE2 PHE 86 2HE PHE 86 9.240 3.702 4.041 490 HZ PHE 86 HZ PHE 86 9.196 3.630 1.580 491 HB2 PHE 86 2HB PHE 86 5.099 7.116 3.709 492 HB3 PHE 86 1HB PHE 86 5.753 6.502 5.228 493 H ASP 87 H ASP 87 4.372 4.789 6.919 494 HA ASP 87 HA ASP 87 5.911 2.408 6.629 495 HB2 ASP 87 2HB ASP 87 5.861 2.236 9.010 496 HB3 ASP 87 1HB ASP 87 6.003 3.946 8.617 497 H ASP 88 H ASP 88 2.515 3.063 6.736 498 HA ASP 88 HA ASP 88 1.742 0.322 7.256 499 HB2 ASP 88 2HB ASP 88 0.110 2.628 6.163 500 HB3 ASP 88 1HB ASP 88 -0.535 1.078 6.681 501 H PHE 89 H PHE 89 2.710 2.209 4.601 502 HA PHE 89 HA PHE 89 1.369 0.650 2.542 503 HD1 PHE 89 2HD PHE 89 0.897 1.906 -0.058 504 HD2 PHE 89 1HD PHE 89 4.952 2.579 1.029 505 HE1 PHE 89 2HE PHE 89 1.573 1.619 -2.405 506 HE2 PHE 89 1HE PHE 89 5.641 2.294 -1.296 507 HZ PHE 89 HZ PHE 89 3.949 1.812 -3.033 508 HB2 PHE 89 2HB PHE 89 1.580 3.013 2.102 509 HB3 PHE 89 1HB PHE 89 3.286 2.996 2.557 510 H LEU 90 H LEU 90 4.470 1.348 3.841 511 HA LEU 90 HA LEU 90 6.209 -0.086 2.288 512 HG LEU 90 HG LEU 90 7.987 -1.024 5.006 513 HB2 LEU 90 2HB LEU 90 6.751 1.493 4.032 514 HB3 LEU 90 1HB LEU 90 6.161 0.403 5.248 515 HD11 LEU 90 1HD1 LEU 90 8.087 -1.119 2.578 516 HD12 LEU 90 2HD1 LEU 90 9.679 -0.762 3.245 517 HD13 LEU 90 3HD1 LEU 90 8.715 0.528 2.527 518 HD21 LEU 90 1HD2 LEU 90 8.969 1.802 4.688 519 HD22 LEU 90 2HD2 LEU 90 9.914 0.456 5.328 520 HD23 LEU 90 3HD2 LEU 90 8.495 1.030 6.204 521 H ASP 91 H ASP 91 4.536 -1.145 5.227 522 HA ASP 91 HA ASP 91 5.619 -3.753 5.154 523 HB2 ASP 91 2HB ASP 91 3.966 -2.307 6.948 524 HB3 ASP 91 1HB ASP 91 3.191 -3.849 6.589 525 H ILE 92 H ILE 92 3.425 -2.448 3.113 526 HA ILE 92 HA ILE 92 1.988 -4.940 2.559 527 HB ILE 92 HB ILE 92 1.931 -2.228 1.229 528 HG12 ILE 92 2HG1 ILE 92 -0.103 -3.597 2.928 529 HG13 ILE 92 1HG1 ILE 92 1.085 -2.488 3.580 530 HG21 ILE 92 1HG2 ILE 92 -0.045 -3.048 0.040 531 HG22 ILE 92 2HG2 ILE 92 0.184 -4.643 0.758 532 HG23 ILE 92 3HG2 ILE 92 1.386 -3.997 -0.362 533 HD11 ILE 92 1HD1 ILE 92 -1.016 -1.827 1.519 534 HD12 ILE 92 2HD1 ILE 92 0.165 -0.704 2.196 535 HD13 ILE 92 3HD1 ILE 92 -1.076 -1.410 3.231 536 H MET 93 H MET 93 4.378 -2.795 1.153 537 HA MET 93 HA MET 93 4.872 -4.549 -1.055 538 HB2 MET 93 2HB MET 93 6.505 -2.258 0.039 539 HB3 MET 93 1HB MET 93 6.782 -3.070 -1.500 540 HG2 MET 93 2HG MET 93 4.393 -2.454 -2.083 541 HG3 MET 93 1HG MET 93 4.438 -1.375 -0.682 542 HE1 MET 93 1HE MET 93 5.883 -2.175 -4.254 543 HE2 MET 93 2HE MET 93 7.248 -2.394 -3.159 544 HE3 MET 93 3HE MET 93 7.258 -1.067 -4.323 545 H THR 94 H THR 94 5.940 -4.188 2.232 546 HA THR 94 HA THR 94 7.794 -6.424 1.853 547 HB THR 94 HB THR 94 8.358 -6.181 4.203 548 HG1 THR 94 1HG THR 94 7.064 -5.217 5.538 549 HG21 THR 94 1HG2 THR 94 9.272 -3.894 4.154 550 HG22 THR 94 2HG2 THR 94 8.236 -3.528 2.771 551 HG23 THR 94 3HG2 THR 94 9.515 -4.734 2.622 552 H GLU 95 H GLU 95 4.520 -6.043 2.279 553 HA GLU 95 HA GLU 95 3.888 -7.956 4.227 554 HB2 GLU 95 2HB GLU 95 2.194 -6.430 3.378 555 HB3 GLU 95 1HB GLU 95 2.287 -7.193 1.792 556 HG2 GLU 95 2HG GLU 95 1.539 -9.313 2.823 557 HG3 GLU 95 1HG GLU 95 1.351 -8.471 4.357 558 H LYS 96 H LYS 96 3.736 -8.217 0.722 559 HA LYS 96 HA LYS 96 2.899 -10.874 0.832 560 HB2 LYS 96 2HB LYS 96 3.218 -10.773 -1.694 561 HB3 LYS 96 1HB LYS 96 2.097 -9.630 -0.971 562 HG2 LYS 96 2HG LYS 96 3.351 -8.441 -2.579 563 HG3 LYS 96 1HG LYS 96 3.953 -7.943 -0.999 564 HD2 LYS 96 2HD LYS 96 5.635 -9.949 -1.443 565 HD3 LYS 96 1HD LYS 96 5.266 -9.540 -3.118 566 HE2 LYS 96 2HE LYS 96 6.145 -7.530 -1.067 567 HE3 LYS 96 1HE LYS 96 7.251 -8.384 -2.134 568 HZ1 LYS 96 1HZ LYS 96 5.925 -7.466 -4.028 569 HZ2 LYS 96 2HZ LYS 96 6.776 -6.304 -3.130 570 HZ3 LYS 96 3HZ LYS 96 5.103 -6.490 -2.906 571 H ILE 97 H ILE 97 6.015 -9.815 1.335 572 HA ILE 97 HA ILE 97 7.187 -12.106 -0.043 573 HB ILE 97 HB ILE 97 9.393 -11.143 0.884 574 HG12 ILE 97 2HG1 ILE 97 9.085 -8.518 0.877 575 HG13 ILE 97 1HG1 ILE 97 7.483 -8.937 1.478 576 HG21 ILE 97 1HG2 ILE 97 9.580 -9.646 -1.051 577 HG22 ILE 97 2HG2 ILE 97 7.833 -9.729 -1.266 578 HG23 ILE 97 3HG2 ILE 97 8.815 -11.182 -1.461 579 HD11 ILE 97 1HD1 ILE 97 10.095 -9.763 2.713 580 HD12 ILE 97 2HD1 ILE 97 8.486 -10.173 3.311 581 HD13 ILE 97 3HD1 ILE 97 9.021 -8.490 3.299 582 H LYS 98 H LYS 98 7.087 -10.820 3.312 583 HA LYS 98 HA LYS 98 8.050 -13.374 4.281 584 HB2 LYS 98 2HB LYS 98 7.637 -12.271 6.571 585 HB3 LYS 98 1HB LYS 98 8.916 -11.629 5.558 586 HG2 LYS 98 2HG LYS 98 7.830 -9.769 6.475 587 HG3 LYS 98 1HG LYS 98 7.276 -9.868 4.806 588 HD2 LYS 98 2HD LYS 98 5.251 -11.100 5.691 589 HD3 LYS 98 1HD LYS 98 5.793 -10.642 7.308 590 HE2 LYS 98 2HE LYS 98 5.338 -8.679 5.088 591 HE3 LYS 98 1HE LYS 98 4.085 -9.120 6.248 592 HZ1 LYS 98 1HZ LYS 98 5.095 -7.129 7.010 593 HZ2 LYS 98 2HZ LYS 98 6.658 -7.737 6.792 594 HZ3 LYS 98 3HZ LYS 98 5.671 -8.364 8.019 595 H ASN 99 H ASN 99 5.100 -11.786 3.681 596 HA ASN 99 HA ASN 99 3.603 -14.030 4.859 597 HB2 ASN 99 2HB ASN 99 2.904 -11.718 5.542 598 HB3 ASN 99 1HB ASN 99 2.592 -11.348 3.852 599 HD21 ASN 99 1HD2 ASN 99 1.839 -14.401 5.436 600 HD22 ASN 99 2HD2 ASN 99 0.123 -14.247 5.302 601 H ARG 100 H ARG 100 5.263 -14.140 2.532 602 HA ARG 100 HA ARG 100 3.823 -13.914 0.144 603 HE ARG 100 HE ARG 100 7.101 -17.374 -0.425 604 HB2 ARG 100 2HB ARG 100 6.293 -14.157 0.271 605 HB3 ARG 100 1HB ARG 100 6.077 -15.843 0.743 606 HG2 ARG 100 2HG ARG 100 4.953 -16.273 -1.395 607 HG3 ARG 100 1HG ARG 100 5.221 -14.593 -1.858 608 HD2 ARG 100 2HD ARG 100 6.939 -15.850 -2.895 609 HD3 ARG 100 1HD ARG 100 7.685 -15.019 -1.532 610 HH11 ARG 100 1HH1 ARG 100 8.567 -16.604 -3.517 611 HH12 ARG 100 2HH1 ARG 100 9.509 -18.068 -3.583 612 HH21 ARG 100 1HH2 ARG 100 8.342 -19.291 -0.498 613 HH22 ARG 100 2HH2 ARG 100 9.383 -19.594 -1.860 614 H ASP 101 H ASP 101 4.070 -16.405 2.546 615 HA ASP 101 HA ASP 101 2.241 -18.137 1.056 616 HB2 ASP 101 2HB ASP 101 4.262 -19.239 1.892 617 HB3 ASP 101 1HB ASP 101 3.904 -18.692 3.527 Start of MODEL 14 1 HA LEU 25 HA LEU 25 15.597 -2.126 5.566 2 HG LEU 25 HG LEU 25 12.685 -2.568 6.292 3 H1 LEU 25 1HT LEU 25 15.631 -1.037 7.709 4 H2 LEU 25 2HT LEU 25 14.201 -1.928 7.497 5 H3 LEU 25 3HT LEU 25 14.178 -0.239 7.343 6 HB2 LEU 25 2HB LEU 25 13.158 -0.398 5.143 7 HB3 LEU 25 1HB LEU 25 13.975 -1.293 3.878 8 HD11 LEU 25 1HD1 LEU 25 11.655 -2.324 3.471 9 HD12 LEU 25 2HD1 LEU 25 11.018 -1.481 4.884 10 HD13 LEU 25 3HD1 LEU 25 10.902 -3.236 4.781 11 HD21 LEU 25 1HD2 LEU 25 13.719 -3.758 3.721 12 HD22 LEU 25 2HD2 LEU 25 12.937 -4.638 5.035 13 HD23 LEU 25 3HD2 LEU 25 14.502 -3.870 5.296 14 H SER 26 H SER 26 16.666 -1.116 3.775 15 HA SER 26 HA SER 26 17.888 1.388 4.610 16 HG SER 26 HG SER 26 19.677 -0.439 4.878 17 HB2 SER 26 2HB SER 26 18.597 -0.348 2.246 18 HB3 SER 26 1HB SER 26 19.610 0.862 3.033 19 H GLU 27 H GLU 27 18.588 2.750 2.454 20 HA GLU 27 HA GLU 27 15.993 3.795 1.666 21 HB2 GLU 27 2HB GLU 27 18.809 4.857 1.345 22 HB3 GLU 27 1HB GLU 27 17.396 5.674 0.696 23 HG2 GLU 27 2HG GLU 27 17.974 6.712 2.752 24 HG3 GLU 27 1HG GLU 27 16.486 5.809 2.999 25 H GLU 28 H GLU 28 18.544 1.935 0.200 26 HA GLU 28 HA GLU 28 18.013 2.538 -2.493 27 HB2 GLU 28 2HB GLU 28 18.877 0.246 -2.976 28 HB3 GLU 28 1HB GLU 28 19.954 1.272 -2.038 29 HG2 GLU 28 2HG GLU 28 18.137 -0.432 -0.485 30 HG3 GLU 28 1HG GLU 28 19.361 -1.256 -1.437 31 H GLN 29 H GLN 29 16.531 0.200 -0.296 32 HA GLN 29 HA GLN 29 14.703 -0.804 -2.230 33 HB2 GLN 29 2HB GLN 29 13.564 -1.851 -0.352 34 HB3 GLN 29 1HB GLN 29 15.295 -2.102 -0.220 35 HG2 GLN 29 2HG GLN 29 14.828 -1.591 1.924 36 HG3 GLN 29 1HG GLN 29 15.075 0.045 1.313 37 HE21 GLN 29 1HE2 GLN 29 12.289 -1.860 0.485 38 HE22 GLN 29 2HE2 GLN 29 11.141 -0.942 1.395 39 H LYS 30 H LYS 30 14.806 1.916 -0.128 40 HA LYS 30 HA LYS 30 12.041 2.573 -0.307 41 HB2 LYS 30 2HB LYS 30 14.467 3.815 0.831 42 HB3 LYS 30 1HB LYS 30 13.183 4.925 0.351 43 HG2 LYS 30 2HG LYS 30 11.979 4.392 2.103 44 HG3 LYS 30 1HG LYS 30 12.092 2.685 1.716 45 HD2 LYS 30 2HD LYS 30 13.014 2.801 3.832 46 HD3 LYS 30 1HD LYS 30 14.417 2.783 2.763 47 HE2 LYS 30 2HE LYS 30 14.579 5.212 2.933 48 HE3 LYS 30 1HE LYS 30 13.152 5.244 3.967 49 HZ1 LYS 30 1HZ LYS 30 15.110 5.383 5.323 50 HZ2 LYS 30 2HZ LYS 30 15.781 4.003 4.608 51 HZ3 LYS 30 3HZ LYS 30 14.396 3.866 5.581 52 H GLN 31 H GLN 31 14.858 3.239 -2.246 53 HA GLN 31 HA GLN 31 13.838 5.391 -3.704 54 HB2 GLN 31 2HB GLN 31 15.716 3.179 -4.573 55 HB3 GLN 31 1HB GLN 31 15.390 4.618 -5.527 56 HG2 GLN 31 2HG GLN 31 16.591 4.596 -2.768 57 HG3 GLN 31 1HG GLN 31 17.488 4.773 -4.275 58 HE21 GLN 31 1HE2 GLN 31 17.287 6.594 -2.018 59 HE22 GLN 31 2HE2 GLN 31 16.682 8.086 -2.660 60 H GLU 32 H GLU 32 13.438 1.927 -4.043 61 HA GLU 32 HA GLU 32 11.837 2.005 -6.407 62 HB2 GLU 32 2HB GLU 32 11.849 -0.139 -4.280 63 HB3 GLU 32 1HB GLU 32 11.403 -0.315 -5.969 64 HG2 GLU 32 2HG GLU 32 13.648 -0.130 -6.676 65 HG3 GLU 32 1HG GLU 32 14.182 0.407 -5.081 66 H ILE 33 H ILE 33 11.073 1.304 -3.020 67 HA ILE 33 HA ILE 33 8.301 1.074 -3.472 68 HB ILE 33 HB ILE 33 9.974 1.221 -0.987 69 HG12 ILE 33 2HG1 ILE 33 8.456 -0.962 -2.420 70 HG13 ILE 33 1HG1 ILE 33 10.201 -0.805 -2.268 71 HG21 ILE 33 1HG2 ILE 33 6.988 0.835 -1.118 72 HG22 ILE 33 2HG2 ILE 33 7.841 2.201 -0.396 73 HG23 ILE 33 3HG2 ILE 33 7.993 0.592 0.313 74 HD11 ILE 33 1HD1 ILE 33 8.288 -1.326 -0.006 75 HD12 ILE 33 2HD1 ILE 33 10.047 -1.228 0.110 76 HD13 ILE 33 3HD1 ILE 33 9.297 -2.534 -0.808 77 H LYS 34 H LYS 34 10.271 3.798 -2.351 78 HA LYS 34 HA LYS 34 7.922 5.225 -1.497 79 HB2 LYS 34 2HB LYS 34 10.032 5.588 -0.336 80 HB3 LYS 34 1HB LYS 34 10.752 6.213 -1.816 81 HG2 LYS 34 2HG LYS 34 9.802 8.219 -1.581 82 HG3 LYS 34 1HG LYS 34 8.272 7.542 -1.022 83 HD2 LYS 34 2HD LYS 34 9.306 8.861 0.731 84 HD3 LYS 34 1HD LYS 34 9.251 7.150 1.169 85 HE2 LYS 34 2HE LYS 34 11.568 6.877 0.599 86 HE3 LYS 34 1HE LYS 34 11.651 8.521 -0.030 87 HZ1 LYS 34 1HZ LYS 34 11.151 7.785 2.808 88 HZ2 LYS 34 2HZ LYS 34 11.265 9.364 2.197 89 HZ3 LYS 34 3HZ LYS 34 12.622 8.344 2.177 90 H GLU 35 H GLU 35 9.962 5.189 -4.395 91 HA GLU 35 HA GLU 35 8.651 7.460 -5.524 92 HB2 GLU 35 2HB GLU 35 9.832 7.071 -7.471 93 HB3 GLU 35 1HB GLU 35 10.884 6.335 -6.271 94 HG2 GLU 35 2HG GLU 35 10.235 4.155 -6.899 95 HG3 GLU 35 1HG GLU 35 8.869 4.757 -7.840 96 H ALA 36 H ALA 36 8.015 4.050 -5.315 97 HA ALA 36 HA ALA 36 5.763 3.987 -7.025 98 HB1 ALA 36 1HB ALA 36 6.340 2.283 -4.605 99 HB2 ALA 36 2HB ALA 36 6.888 1.952 -6.247 100 HB3 ALA 36 3HB ALA 36 5.165 1.931 -5.871 101 H PHE 37 H PHE 37 6.155 4.621 -3.531 102 HA PHE 37 HA PHE 37 3.463 5.030 -2.906 103 HD1 PHE 37 1HD PHE 37 3.207 4.573 -0.076 104 HD2 PHE 37 2HD PHE 37 4.874 8.391 -0.930 105 HE1 PHE 37 1HE PHE 37 1.756 5.581 1.624 106 HE2 PHE 37 2HE PHE 37 3.425 9.409 0.770 107 HZ PHE 37 HZ PHE 37 1.857 8.008 2.054 108 HB2 PHE 37 2HB PHE 37 5.341 4.833 -1.275 109 HB3 PHE 37 1HB PHE 37 5.891 6.431 -1.761 110 H ASP 38 H ASP 38 5.963 7.253 -4.032 111 HA ASP 38 HA ASP 38 4.491 9.627 -4.131 112 HB2 ASP 38 2HB ASP 38 6.880 9.637 -4.366 113 HB3 ASP 38 1HB ASP 38 6.802 8.618 -5.791 114 H LEU 39 H LEU 39 4.753 6.982 -6.393 115 HA LEU 39 HA LEU 39 3.313 8.252 -8.508 116 HG LEU 39 HG LEU 39 2.161 5.209 -9.224 117 HB2 LEU 39 2HB LEU 39 4.831 6.617 -9.181 118 HB3 LEU 39 1HB LEU 39 4.297 5.480 -7.959 119 HD11 LEU 39 1HD1 LEU 39 3.577 6.848 -11.318 120 HD12 LEU 39 2HD1 LEU 39 2.171 7.354 -10.379 121 HD13 LEU 39 3HD1 LEU 39 2.034 6.012 -11.515 122 HD21 LEU 39 1HD2 LEU 39 3.126 3.846 -11.015 123 HD22 LEU 39 2HD2 LEU 39 3.972 3.610 -9.485 124 HD23 LEU 39 3HD2 LEU 39 4.691 4.610 -10.746 125 H PHE 40 H PHE 40 2.491 5.819 -6.044 126 HA PHE 40 HA PHE 40 -0.138 5.419 -7.051 127 HD1 PHE 40 1HD PHE 40 0.095 3.671 -7.791 128 HD2 PHE 40 2HD PHE 40 2.179 2.636 -4.229 129 HE1 PHE 40 1HE PHE 40 1.090 1.750 -8.943 130 HE2 PHE 40 2HE PHE 40 3.182 0.705 -5.377 131 HZ PHE 40 HZ PHE 40 2.641 0.258 -7.737 132 HB2 PHE 40 2HB PHE 40 1.054 4.688 -4.373 133 HB3 PHE 40 1HB PHE 40 -0.540 4.186 -4.940 134 H ASP 41 H ASP 41 1.242 7.553 -4.636 135 HA ASP 41 HA ASP 41 -1.221 8.591 -3.716 136 HB2 ASP 41 2HB ASP 41 0.581 9.203 -2.363 137 HB3 ASP 41 1HB ASP 41 1.594 9.632 -3.735 138 H THR 42 H THR 42 -2.633 9.022 -5.225 139 HA THR 42 HA THR 42 -1.919 11.026 -7.270 140 HB THR 42 HB THR 42 -3.964 10.130 -8.491 141 HG1 THR 42 1HG THR 42 -3.965 8.509 -6.253 142 HG21 THR 42 1HG2 THR 42 -2.772 8.231 -9.453 143 HG22 THR 42 2HG2 THR 42 -1.682 8.191 -8.066 144 HG23 THR 42 3HG2 THR 42 -1.663 9.572 -9.165 145 H ASN 43 H ASN 43 -3.180 10.660 -4.388 146 HA ASN 43 HA ASN 43 -5.707 11.996 -4.608 147 HB2 ASN 43 2HB ASN 43 -4.620 10.273 -2.811 148 HB3 ASN 43 1HB ASN 43 -4.373 11.800 -1.976 149 HD21 ASN 43 1HD2 ASN 43 -6.146 9.412 -1.597 150 HD22 ASN 43 2HD2 ASN 43 -7.721 10.103 -1.355 151 H LYS 44 H LYS 44 -2.829 12.813 -2.664 152 HA LYS 44 HA LYS 44 -2.157 15.274 -3.591 153 HB2 LYS 44 2HB LYS 44 -4.565 15.907 -3.209 154 HB3 LYS 44 1HB LYS 44 -4.288 15.681 -1.487 155 HG2 LYS 44 2HG LYS 44 -2.600 17.427 -1.509 156 HG3 LYS 44 1HG LYS 44 -2.819 17.630 -3.247 157 HD2 LYS 44 2HD LYS 44 -5.206 18.213 -2.804 158 HD3 LYS 44 1HD LYS 44 -4.838 18.180 -1.077 159 HE2 LYS 44 2HE LYS 44 -4.746 20.454 -1.920 160 HE3 LYS 44 1HE LYS 44 -3.142 19.916 -1.420 161 HZ1 LYS 44 1HZ LYS 44 -4.182 20.119 -4.193 162 HZ2 LYS 44 2HZ LYS 44 -2.709 19.380 -3.795 163 HZ3 LYS 44 3HZ LYS 44 -2.934 21.031 -3.496 164 H THR 45 H THR 45 -3.183 13.853 -0.523 165 HA THR 45 HA THR 45 -0.997 15.101 0.898 166 HB THR 45 HB THR 45 -3.256 14.917 1.913 167 HG1 THR 45 1HG THR 45 -2.157 13.479 3.819 168 HG21 THR 45 1HG2 THR 45 -3.932 12.756 1.023 169 HG22 THR 45 2HG2 THR 45 -4.009 12.738 2.785 170 HG23 THR 45 3HG2 THR 45 -2.666 11.953 1.956 171 H GLY 46 H GLY 46 0.448 13.799 2.279 172 HA2 GLY 46 2HA GLY 46 1.611 11.629 0.795 173 HA3 GLY 46 1HA GLY 46 2.171 12.260 2.338 174 H SER 47 H SER 47 -0.721 10.610 1.110 175 HA SER 47 HA SER 47 -0.353 8.349 2.846 176 HG SER 47 HG SER 47 -0.275 9.971 4.497 177 HB2 SER 47 2HB SER 47 -2.669 10.249 3.326 178 HB3 SER 47 1HB SER 47 -2.537 8.633 4.019 179 H ILE 48 H ILE 48 -1.812 6.637 2.287 180 HA ILE 48 HA ILE 48 -2.880 7.014 -0.428 181 HB ILE 48 HB ILE 48 -2.163 4.416 0.947 182 HG12 ILE 48 2HG1 ILE 48 -0.175 5.806 0.624 183 HG13 ILE 48 1HG1 ILE 48 -0.147 4.412 -0.449 184 HG21 ILE 48 1HG2 ILE 48 -2.261 3.464 -1.304 185 HG22 ILE 48 2HG2 ILE 48 -2.767 5.030 -1.941 186 HG23 ILE 48 3HG2 ILE 48 -3.811 4.153 -0.819 187 HD11 ILE 48 1HD1 ILE 48 -0.926 7.213 -1.232 188 HD12 ILE 48 2HD1 ILE 48 -0.861 5.813 -2.303 189 HD13 ILE 48 3HD1 ILE 48 0.619 6.433 -1.571 190 H ASP 49 H ASP 49 -4.977 6.723 -0.857 191 HA ASP 49 HA ASP 49 -6.748 5.716 1.269 192 HB2 ASP 49 2HB ASP 49 -7.347 7.910 0.344 193 HB3 ASP 49 1HB ASP 49 -7.344 7.248 -1.284 194 H TYR 50 H TYR 50 -8.471 4.189 0.581 195 HA TYR 50 HA TYR 50 -7.281 1.996 -0.709 196 HD1 TYR 50 2HD TYR 50 -10.350 3.911 1.384 197 HD2 TYR 50 1HD TYR 50 -11.309 1.077 -1.641 198 HE1 TYR 50 2HE TYR 50 -12.611 4.865 1.214 199 HE2 TYR 50 1HE TYR 50 -13.569 2.020 -1.819 200 HH TYR 50 HH TYR 50 -15.141 3.308 -0.324 201 HB2 TYR 50 2HB TYR 50 -9.341 0.816 -0.372 202 HB3 TYR 50 1HB TYR 50 -9.024 1.801 1.046 203 H HIS 51 H HIS 51 -9.073 4.650 -1.963 204 HA HIS 51 HA HIS 51 -9.998 3.533 -4.378 205 HD1 HIS 51 1HD HIS 51 -11.016 6.399 -1.811 206 HD2 HIS 51 2HD HIS 51 -12.397 5.403 -5.609 207 HE1 HIS 51 1HE HIS 51 -13.522 6.620 -1.707 208 HE2 HIS 51 2HE HIS 51 -14.311 6.211 -4.069 209 HB2 HIS 51 2HB HIS 51 -9.182 6.323 -3.598 210 HB3 HIS 51 1HB HIS 51 -9.656 5.943 -5.253 211 H GLU 52 H GLU 52 -6.885 5.032 -3.544 212 HA GLU 52 HA GLU 52 -5.881 4.358 -6.201 213 HB2 GLU 52 2HB GLU 52 -3.971 5.767 -5.657 214 HB3 GLU 52 1HB GLU 52 -5.480 6.629 -5.397 215 HG2 GLU 52 2HG GLU 52 -5.074 5.669 -2.922 216 HG3 GLU 52 1HG GLU 52 -3.408 5.804 -3.477 217 H LEU 53 H LEU 53 -5.888 3.112 -3.051 218 HA LEU 53 HA LEU 53 -3.495 1.601 -3.164 219 HG LEU 53 HG LEU 53 -4.378 0.084 0.006 220 HB2 LEU 53 2HB LEU 53 -4.917 1.983 -1.127 221 HB3 LEU 53 1HB LEU 53 -6.095 0.882 -1.802 222 HD11 LEU 53 1HD1 LEU 53 -4.489 -2.187 -0.916 223 HD12 LEU 53 2HD1 LEU 53 -5.150 -1.502 -2.403 224 HD13 LEU 53 3HD1 LEU 53 -6.035 -1.344 -0.886 225 HD21 LEU 53 1HD2 LEU 53 -2.809 -0.300 -2.522 226 HD22 LEU 53 2HD2 LEU 53 -2.427 -1.003 -0.950 227 HD23 LEU 53 3HD2 LEU 53 -2.372 0.747 -1.173 228 H LYS 54 H LYS 54 -6.551 1.392 -4.718 229 HA LYS 54 HA LYS 54 -6.458 -1.348 -5.456 230 HB2 LYS 54 2HB LYS 54 -8.344 0.616 -5.544 231 HB3 LYS 54 1HB LYS 54 -7.923 0.473 -7.244 232 HG2 LYS 54 2HG LYS 54 -8.669 -1.897 -5.551 233 HG3 LYS 54 1HG LYS 54 -9.867 -0.924 -6.407 234 HD2 LYS 54 2HD LYS 54 -7.516 -2.195 -7.795 235 HD3 LYS 54 1HD LYS 54 -9.055 -3.030 -7.574 236 HE2 LYS 54 2HE LYS 54 -10.197 -1.216 -8.768 237 HE3 LYS 54 1HE LYS 54 -8.651 -0.403 -9.001 238 HZ1 LYS 54 1HZ LYS 54 -9.339 -1.667 -10.957 239 HZ2 LYS 54 2HZ LYS 54 -9.334 -3.100 -10.046 240 HZ3 LYS 54 3HZ LYS 54 -7.887 -2.258 -10.311 241 H VAL 55 H VAL 55 -4.974 1.536 -6.753 242 HA VAL 55 HA VAL 55 -4.124 0.069 -9.130 243 HB VAL 55 HB VAL 55 -3.126 2.087 -9.954 244 HG11 VAL 55 1HG1 VAL 55 -5.064 3.564 -10.082 245 HG12 VAL 55 2HG1 VAL 55 -5.813 2.698 -8.740 246 HG13 VAL 55 3HG1 VAL 55 -5.522 1.872 -10.270 247 HG21 VAL 55 1HG2 VAL 55 -3.133 4.196 -8.719 248 HG22 VAL 55 2HG2 VAL 55 -2.173 2.967 -7.897 249 HG23 VAL 55 3HG2 VAL 55 -3.784 3.366 -7.305 250 H ALA 56 H ALA 56 -3.004 1.033 -6.013 251 HA ALA 56 HA ALA 56 -0.248 0.519 -6.381 252 HB1 ALA 56 1HB ALA 56 -1.076 1.710 -4.420 253 HB2 ALA 56 2HB ALA 56 -0.169 0.276 -3.936 254 HB3 ALA 56 3HB ALA 56 -1.932 0.263 -3.886 255 H MET 57 H MET 57 -2.799 -1.510 -4.903 256 HA MET 57 HA MET 57 -1.465 -3.941 -4.907 257 HB2 MET 57 2HB MET 57 -4.395 -3.503 -5.495 258 HB3 MET 57 1HB MET 57 -3.666 -5.004 -4.946 259 HG2 MET 57 2HG MET 57 -3.613 -2.442 -3.384 260 HG3 MET 57 1HG MET 57 -4.833 -3.695 -3.191 261 HE1 MET 57 1HE MET 57 -3.076 -6.567 -1.467 262 HE2 MET 57 2HE MET 57 -3.672 -6.391 -3.116 263 HE3 MET 57 3HE MET 57 -4.605 -5.738 -1.769 264 H ARG 58 H ARG 58 -2.877 -2.228 -7.592 265 HA ARG 58 HA ARG 58 -2.984 -4.324 -9.461 266 HE ARG 58 HE ARG 58 -5.231 -1.507 -11.605 267 HB2 ARG 58 2HB ARG 58 -4.088 -2.228 -9.921 268 HB3 ARG 58 1HB ARG 58 -2.562 -1.355 -9.844 269 HG2 ARG 58 2HG ARG 58 -1.796 -2.663 -11.822 270 HG3 ARG 58 1HG ARG 58 -3.421 -3.340 -11.933 271 HD2 ARG 58 2HD ARG 58 -2.808 -0.394 -11.999 272 HD3 ARG 58 1HD ARG 58 -3.001 -1.393 -13.437 273 HH11 ARG 58 1HH1 ARG 58 -3.784 0.182 -14.301 274 HH12 ARG 58 2HH1 ARG 58 -5.291 0.807 -14.891 275 HH21 ARG 58 1HH2 ARG 58 -7.240 -0.684 -12.399 276 HH22 ARG 58 2HH2 ARG 58 -7.252 0.291 -13.836 277 H ALA 59 H ALA 59 -0.470 -1.847 -8.951 278 HA ALA 59 HA ALA 59 1.341 -2.925 -10.831 279 HB1 ALA 59 1HB ALA 59 3.017 -1.480 -9.743 280 HB2 ALA 59 2HB ALA 59 1.858 -1.139 -8.459 281 HB3 ALA 59 3HB ALA 59 1.518 -0.627 -10.111 282 H LEU 60 H LEU 60 0.840 -3.515 -7.408 283 HA LEU 60 HA LEU 60 3.106 -5.175 -6.992 284 HG LEU 60 HG LEU 60 1.492 -3.038 -5.384 285 HB2 LEU 60 2HB LEU 60 0.415 -5.276 -5.629 286 HB3 LEU 60 1HB LEU 60 1.894 -6.006 -5.039 287 HD11 LEU 60 1HD1 LEU 60 -0.006 -4.014 -3.705 288 HD12 LEU 60 2HD1 LEU 60 1.218 -2.966 -2.983 289 HD13 LEU 60 3HD1 LEU 60 1.388 -4.722 -2.889 290 HD21 LEU 60 1HD2 LEU 60 3.826 -3.754 -5.509 291 HD22 LEU 60 2HD2 LEU 60 3.643 -4.632 -3.990 292 HD23 LEU 60 3HD2 LEU 60 3.511 -2.872 -4.014 293 H GLY 61 H GLY 61 -0.262 -5.838 -7.833 294 HA2 GLY 61 2HA GLY 61 -0.686 -7.426 -9.600 295 HA3 GLY 61 1HA GLY 61 0.633 -8.398 -8.974 296 H PHE 62 H PHE 62 -2.259 -6.895 -7.526 297 HA PHE 62 HA PHE 62 -3.044 -9.580 -6.590 298 HD1 PHE 62 2HD PHE 62 -2.000 -10.402 -4.457 299 HD2 PHE 62 1HD PHE 62 -1.435 -6.192 -4.228 300 HE1 PHE 62 2HE PHE 62 0.152 -10.754 -3.316 301 HE2 PHE 62 1HE PHE 62 0.705 -6.532 -3.087 302 HZ PHE 62 HZ PHE 62 1.511 -8.818 -2.628 303 HB2 PHE 62 2HB PHE 62 -3.384 -6.987 -5.073 304 HB3 PHE 62 1HB PHE 62 -3.938 -8.570 -4.543 305 H ASP 63 H ASP 63 -5.260 -9.985 -6.410 306 HA ASP 63 HA ASP 63 -7.071 -7.939 -7.512 307 HB2 ASP 63 2HB ASP 63 -6.621 -9.685 -9.216 308 HB3 ASP 63 1HB ASP 63 -7.187 -10.914 -8.089 309 H VAL 64 H VAL 64 -7.866 -7.323 -5.541 310 HA VAL 64 HA VAL 64 -8.957 -9.427 -3.787 311 HB VAL 64 HB VAL 64 -8.528 -7.775 -1.921 312 HG11 VAL 64 1HG1 VAL 64 -6.156 -8.938 -3.375 313 HG12 VAL 64 2HG1 VAL 64 -7.186 -9.790 -2.226 314 HG13 VAL 64 3HG1 VAL 64 -6.180 -8.448 -1.682 315 HG21 VAL 64 1HG2 VAL 64 -6.746 -6.131 -2.304 316 HG22 VAL 64 2HG2 VAL 64 -8.179 -5.793 -3.277 317 HG23 VAL 64 3HG2 VAL 64 -6.759 -6.533 -4.020 318 H LYS 65 H LYS 65 -10.015 -7.300 -5.861 319 HA LYS 65 HA LYS 65 -12.058 -6.342 -6.235 320 HB2 LYS 65 2HB LYS 65 -13.038 -7.353 -3.573 321 HB3 LYS 65 1HB LYS 65 -13.960 -7.061 -5.035 322 HG2 LYS 65 2HG LYS 65 -11.966 -9.290 -4.695 323 HG3 LYS 65 1HG LYS 65 -13.702 -9.450 -4.451 324 HD2 LYS 65 2HD LYS 65 -13.634 -10.129 -6.608 325 HD3 LYS 65 1HD LYS 65 -13.697 -8.390 -6.913 326 HE2 LYS 65 2HE LYS 65 -11.321 -8.289 -7.183 327 HE3 LYS 65 1HE LYS 65 -11.141 -9.965 -6.663 328 HZ1 LYS 65 1HZ LYS 65 -12.447 -10.616 -8.634 329 HZ2 LYS 65 2HZ LYS 65 -10.977 -9.872 -9.021 330 HZ3 LYS 65 3HZ LYS 65 -12.432 -9.003 -9.158 331 H LYS 66 H LYS 66 -13.782 -4.877 -4.910 332 HA LYS 66 HA LYS 66 -12.206 -2.843 -3.602 333 HB2 LYS 66 2HB LYS 66 -14.183 -2.452 -5.216 334 HB3 LYS 66 1HB LYS 66 -15.207 -2.804 -3.832 335 HG2 LYS 66 2HG LYS 66 -13.071 -0.737 -3.594 336 HG3 LYS 66 1HG LYS 66 -14.576 -0.347 -4.422 337 HD2 LYS 66 2HD LYS 66 -14.473 -1.495 -1.636 338 HD3 LYS 66 1HD LYS 66 -14.491 0.239 -1.970 339 HE2 LYS 66 2HE LYS 66 -16.612 -0.075 -3.214 340 HE3 LYS 66 1HE LYS 66 -16.602 -1.773 -2.742 341 HZ1 LYS 66 1HZ LYS 66 -16.753 -1.131 -0.442 342 HZ2 LYS 66 2HZ LYS 66 -18.014 -0.401 -1.310 343 HZ3 LYS 66 3HZ LYS 66 -16.665 0.517 -0.844 344 HA PRO 67 HA PRO 67 -15.251 -4.199 0.074 345 HB2 PRO 67 2HB PRO 67 -15.599 -6.962 0.008 346 HB3 PRO 67 1HB PRO 67 -16.818 -5.754 -0.408 347 HG2 PRO 67 2HG PRO 67 -14.998 -7.307 -2.191 348 HG3 PRO 67 1HG PRO 67 -16.699 -6.859 -2.433 349 HD2 PRO 67 2HD PRO 67 -14.766 -5.548 -3.701 350 HD3 PRO 67 1HD PRO 67 -16.162 -4.672 -3.038 351 H GLU 68 H GLU 68 -12.722 -6.377 -1.216 352 HA GLU 68 HA GLU 68 -11.904 -6.917 1.529 353 HB2 GLU 68 2HB GLU 68 -10.694 -7.992 -1.020 354 HB3 GLU 68 1HB GLU 68 -10.424 -8.589 0.612 355 HG2 GLU 68 2HG GLU 68 -12.773 -9.262 0.747 356 HG3 GLU 68 1HG GLU 68 -13.028 -8.680 -0.898 357 H ILE 69 H ILE 69 -11.119 -4.809 -1.060 358 HA ILE 69 HA ILE 69 -8.359 -4.494 -0.326 359 HB ILE 69 HB ILE 69 -9.499 -4.106 -2.647 360 HG12 ILE 69 2HG1 ILE 69 -7.382 -2.171 -1.732 361 HG13 ILE 69 1HG1 ILE 69 -7.071 -3.890 -1.952 362 HG21 ILE 69 1HG2 ILE 69 -9.894 -1.752 -3.156 363 HG22 ILE 69 2HG2 ILE 69 -9.653 -1.338 -1.460 364 HG23 ILE 69 3HG2 ILE 69 -11.025 -2.338 -1.937 365 HD11 ILE 69 1HD1 ILE 69 -6.360 -2.661 -3.895 366 HD12 ILE 69 2HD1 ILE 69 -7.964 -1.950 -4.069 367 HD13 ILE 69 3HD1 ILE 69 -7.739 -3.684 -4.304 368 H LEU 70 H LEU 70 -11.347 -2.701 0.379 369 HA LEU 70 HA LEU 70 -9.808 -0.706 1.781 370 HG LEU 70 HG LEU 70 -14.087 -0.343 1.823 371 HB2 LEU 70 2HB LEU 70 -11.772 0.464 2.234 372 HB3 LEU 70 1HB LEU 70 -12.033 -0.220 0.651 373 HD11 LEU 70 1HD1 LEU 70 -13.591 -2.308 0.507 374 HD12 LEU 70 2HD1 LEU 70 -14.552 -2.722 1.926 375 HD13 LEU 70 3HD1 LEU 70 -12.819 -3.063 1.906 376 HD21 LEU 70 1HD2 LEU 70 -14.364 -1.440 3.984 377 HD22 LEU 70 2HD2 LEU 70 -13.265 -0.065 4.096 378 HD23 LEU 70 3HD2 LEU 70 -12.621 -1.711 4.070 379 H GLU 71 H GLU 71 -11.619 -3.609 2.577 380 HA GLU 71 HA GLU 71 -11.445 -3.349 5.383 381 HB2 GLU 71 2HB GLU 71 -12.954 -4.960 4.347 382 HB3 GLU 71 1HB GLU 71 -11.593 -5.822 3.644 383 HG2 GLU 71 2HG GLU 71 -12.553 -6.943 5.615 384 HG3 GLU 71 1HG GLU 71 -10.849 -6.537 5.804 385 H LEU 72 H LEU 72 -9.258 -4.420 2.903 386 HA LEU 72 HA LEU 72 -7.282 -5.566 4.458 387 HG LEU 72 HG LEU 72 -4.996 -5.666 3.321 388 HB2 LEU 72 2HB LEU 72 -7.281 -5.588 2.001 389 HB3 LEU 72 1HB LEU 72 -6.976 -3.866 1.982 390 HD11 LEU 72 1HD1 LEU 72 -3.849 -5.940 1.165 391 HD12 LEU 72 2HD1 LEU 72 -5.225 -5.197 0.350 392 HD13 LEU 72 3HD1 LEU 72 -5.420 -6.740 1.182 393 HD21 LEU 72 1HD2 LEU 72 -4.747 -3.123 1.711 394 HD22 LEU 72 2HD2 LEU 72 -3.434 -3.959 2.540 395 HD23 LEU 72 3HD2 LEU 72 -4.740 -3.228 3.471 396 H MET 73 H MET 73 -7.974 -2.190 3.754 397 HA MET 73 HA MET 73 -5.677 -1.279 5.269 398 HB2 MET 73 2HB MET 73 -7.904 0.184 3.856 399 HB3 MET 73 1HB MET 73 -6.619 0.992 4.743 400 HG2 MET 73 2HG MET 73 -4.963 0.001 3.257 401 HG3 MET 73 1HG MET 73 -6.252 -0.809 2.364 402 HE1 MET 73 1HE MET 73 -6.644 2.783 3.883 403 HE2 MET 73 2HE MET 73 -5.884 3.773 2.637 404 HE3 MET 73 3HE MET 73 -4.912 2.639 3.577 405 H ASN 74 H ASN 74 -9.005 -1.947 5.791 406 HA ASN 74 HA ASN 74 -9.523 -0.112 7.870 407 HB2 ASN 74 2HB ASN 74 -11.154 -1.588 6.470 408 HB3 ASN 74 1HB ASN 74 -10.868 -2.789 7.726 409 HD21 ASN 74 1HD2 ASN 74 -10.891 0.655 8.255 410 HD22 ASN 74 2HD2 ASN 74 -12.325 0.692 9.225 411 H GLU 75 H GLU 75 -8.799 -3.609 8.047 412 HA GLU 75 HA GLU 75 -8.310 -3.647 10.819 413 HB2 GLU 75 2HB GLU 75 -7.579 -5.441 8.542 414 HB3 GLU 75 1HB GLU 75 -6.843 -5.713 10.116 415 HG2 GLU 75 2HG GLU 75 -9.795 -5.672 9.529 416 HG3 GLU 75 1HG GLU 75 -8.807 -7.109 9.792 417 H TYR 76 H TYR 76 -6.181 -2.873 8.115 418 HA TYR 76 HA TYR 76 -3.791 -3.242 9.656 419 HD1 TYR 76 1HD TYR 76 -4.460 -4.955 8.816 420 HD2 TYR 76 2HD TYR 76 -2.493 -3.525 5.323 421 HE1 TYR 76 1HE TYR 76 -4.246 -7.260 8.005 422 HE2 TYR 76 2HE TYR 76 -2.277 -5.837 4.500 423 HH TYR 76 HH TYR 76 -2.428 -8.043 5.102 424 HB2 TYR 76 2HB TYR 76 -4.283 -2.130 6.902 425 HB3 TYR 76 1HB TYR 76 -2.680 -2.189 7.621 426 H ASP 77 H ASP 77 -5.675 -0.429 8.624 427 HA ASP 77 HA ASP 77 -3.712 1.491 9.242 428 HB2 ASP 77 2HB ASP 77 -5.561 2.116 7.833 429 HB3 ASP 77 1HB ASP 77 -6.719 1.762 9.110 430 H ARG 78 H ARG 78 -3.421 2.815 10.957 431 HA ARG 78 HA ARG 78 -3.386 1.656 13.448 432 HE ARG 78 HE ARG 78 -4.082 5.464 9.935 433 HB2 ARG 78 2HB ARG 78 -3.186 4.282 14.088 434 HB3 ARG 78 1HB ARG 78 -1.867 3.303 13.465 435 HG2 ARG 78 2HG ARG 78 -1.754 5.164 12.119 436 HG3 ARG 78 1HG ARG 78 -2.735 4.078 11.137 437 HD2 ARG 78 2HD ARG 78 -4.709 5.254 12.428 438 HD3 ARG 78 1HD ARG 78 -3.515 6.536 12.615 439 HH11 ARG 78 1HH1 ARG 78 -4.084 8.166 12.179 440 HH12 ARG 78 2HH1 ARG 78 -4.712 9.296 11.013 441 HH21 ARG 78 1HH2 ARG 78 -4.881 6.917 8.413 442 HH22 ARG 78 2HH2 ARG 78 -5.205 8.574 8.863 443 H GLU 79 H GLU 79 -5.387 4.546 12.785 444 HA GLU 79 HA GLU 79 -7.648 3.525 14.172 445 HB2 GLU 79 2HB GLU 79 -7.503 5.052 16.127 446 HB3 GLU 79 1HB GLU 79 -6.268 3.802 16.126 447 HG2 GLU 79 2HG GLU 79 -4.635 5.421 15.289 448 HG3 GLU 79 1HG GLU 79 -5.874 6.673 15.304 449 H GLY 80 H GLY 80 -6.823 5.042 11.737 450 HA2 GLY 80 2HA GLY 80 -8.477 7.462 12.157 451 HA3 GLY 80 1HA GLY 80 -7.240 7.304 10.913 452 H ASN 81 H ASN 81 -7.884 4.681 10.121 453 HA ASN 81 HA ASN 81 -9.218 3.452 8.787 454 HB2 ASN 81 2HB ASN 81 -11.328 5.006 10.260 455 HB3 ASN 81 1HB ASN 81 -11.766 3.898 8.964 456 HD21 ASN 81 1HD2 ASN 81 -9.027 3.256 11.000 457 HD22 ASN 81 2HD2 ASN 81 -9.732 1.947 11.881 458 H GLY 82 H GLY 82 -8.247 6.254 8.100 459 HA2 GLY 82 2HA GLY 82 -9.995 6.681 5.763 460 HA3 GLY 82 1HA GLY 82 -8.989 7.929 6.494 461 H TYR 83 H TYR 83 -6.666 7.686 6.337 462 HA TYR 83 HA TYR 83 -5.863 6.073 4.003 463 HD1 TYR 83 1HD TYR 83 -6.285 9.971 5.467 464 HD2 TYR 83 2HD TYR 83 -5.804 8.267 1.602 465 HE1 TYR 83 1HE TYR 83 -7.909 11.577 4.562 466 HE2 TYR 83 2HE TYR 83 -7.423 9.875 0.684 467 HH TYR 83 HH TYR 83 -9.335 11.235 1.533 468 HB2 TYR 83 2HB TYR 83 -4.355 8.500 4.914 469 HB3 TYR 83 1HB TYR 83 -4.295 7.697 3.361 470 H ILE 84 H ILE 84 -3.555 5.505 4.032 471 HA ILE 84 HA ILE 84 -2.660 4.842 6.758 472 HB ILE 84 HB ILE 84 -1.401 2.973 5.660 473 HG12 ILE 84 2HG1 ILE 84 -3.029 3.889 3.289 474 HG13 ILE 84 1HG1 ILE 84 -1.280 3.736 3.399 475 HG21 ILE 84 1HG2 ILE 84 -3.383 1.529 5.410 476 HG22 ILE 84 2HG2 ILE 84 -4.403 2.968 5.401 477 HG23 ILE 84 3HG2 ILE 84 -3.470 2.558 6.840 478 HD11 ILE 84 1HD1 ILE 84 -3.247 1.475 3.479 479 HD12 ILE 84 2HD1 ILE 84 -1.488 1.330 3.531 480 HD13 ILE 84 3HD1 ILE 84 -2.281 1.959 2.085 481 H GLY 85 H GLY 85 -0.222 4.499 6.877 482 HA2 GLY 85 2HA GLY 85 1.033 6.815 5.564 483 HA3 GLY 85 1HA GLY 85 1.568 6.074 7.067 484 H PHE 86 H PHE 86 3.407 6.576 5.136 485 HA PHE 86 HA PHE 86 3.814 4.748 3.124 486 HD1 PHE 86 1HD PHE 86 5.379 5.067 1.303 487 HD2 PHE 86 2HD PHE 86 7.971 5.304 4.665 488 HE1 PHE 86 1HE PHE 86 7.161 4.013 -0.004 489 HE2 PHE 86 2HE PHE 86 9.763 4.253 3.360 490 HZ PHE 86 HZ PHE 86 9.364 3.600 1.017 491 HB2 PHE 86 2HB PHE 86 5.131 6.771 3.331 492 HB3 PHE 86 1HB PHE 86 5.861 6.181 4.821 493 H ASP 87 H ASP 87 4.583 4.403 6.552 494 HA ASP 87 HA ASP 87 6.254 2.134 6.251 495 HB2 ASP 87 2HB ASP 87 6.154 3.628 8.286 496 HB3 ASP 87 1HB ASP 87 4.640 2.833 8.707 497 H ASP 88 H ASP 88 2.800 2.553 6.719 498 HA ASP 88 HA ASP 88 2.196 -0.219 7.126 499 HB2 ASP 88 2HB ASP 88 0.354 2.007 6.219 500 HB3 ASP 88 1HB ASP 88 -0.130 0.459 6.903 501 H PHE 89 H PHE 89 3.107 1.548 4.455 502 HA PHE 89 HA PHE 89 1.696 -0.140 2.515 503 HD1 PHE 89 2HD PHE 89 1.013 0.616 0.068 504 HD2 PHE 89 1HD PHE 89 4.855 2.354 0.583 505 HE1 PHE 89 2HE PHE 89 1.470 0.259 -2.302 506 HE2 PHE 89 1HE PHE 89 5.336 2.011 -1.800 507 HZ PHE 89 HZ PHE 89 3.755 0.965 -3.236 508 HB2 PHE 89 2HB PHE 89 1.628 2.200 1.984 509 HB3 PHE 89 1HB PHE 89 3.352 2.381 2.318 510 H LEU 90 H LEU 90 4.712 0.662 3.885 511 HA LEU 90 HA LEU 90 6.499 -0.471 2.052 512 HG LEU 90 HG LEU 90 8.721 -1.056 4.498 513 HB2 LEU 90 2HB LEU 90 6.963 1.217 3.741 514 HB3 LEU 90 1HB LEU 90 6.726 0.042 5.001 515 HD11 LEU 90 1HD1 LEU 90 8.875 0.566 1.962 516 HD12 LEU 90 2HD1 LEU 90 8.486 -1.150 2.065 517 HD13 LEU 90 3HD1 LEU 90 10.091 -0.579 2.526 518 HD21 LEU 90 1HD2 LEU 90 10.402 0.715 4.593 519 HD22 LEU 90 2HD2 LEU 90 9.022 1.084 5.628 520 HD23 LEU 90 3HD2 LEU 90 9.190 1.884 4.063 521 H ASP 91 H ASP 91 5.156 -1.671 5.098 522 HA ASP 91 HA ASP 91 6.530 -4.151 5.051 523 HB2 ASP 91 2HB ASP 91 4.978 -4.897 6.750 524 HB3 ASP 91 1HB ASP 91 5.555 -3.277 7.120 525 H ILE 92 H ILE 92 4.170 -3.055 3.074 526 HA ILE 92 HA ILE 92 2.852 -5.621 2.564 527 HB ILE 92 HB ILE 92 2.544 -2.864 1.416 528 HG12 ILE 92 2HG1 ILE 92 1.944 -3.533 3.879 529 HG13 ILE 92 1HG1 ILE 92 0.893 -2.479 2.938 530 HG21 ILE 92 1HG2 ILE 92 0.472 -3.692 0.395 531 HG22 ILE 92 2HG2 ILE 92 0.832 -5.311 0.994 532 HG23 ILE 92 3HG2 ILE 92 1.886 -4.560 -0.205 533 HD11 ILE 92 1HD1 ILE 92 0.534 -5.435 3.340 534 HD12 ILE 92 2HD1 ILE 92 -0.522 -4.386 2.394 535 HD13 ILE 92 3HD1 ILE 92 -0.386 -4.157 4.139 536 H MET 93 H MET 93 4.564 -3.096 0.769 537 HA MET 93 HA MET 93 5.082 -4.671 -1.494 538 HB2 MET 93 2HB MET 93 6.488 -2.288 -0.325 539 HB3 MET 93 1HB MET 93 7.012 -3.044 -1.827 540 HG2 MET 93 2HG MET 93 4.491 -2.704 -2.481 541 HG3 MET 93 1HG MET 93 4.573 -1.456 -1.238 542 HE1 MET 93 1HE MET 93 7.443 -2.652 -3.662 543 HE2 MET 93 2HE MET 93 7.240 -1.526 -5.004 544 HE3 MET 93 3HE MET 93 5.990 -2.723 -4.660 545 H THR 94 H THR 94 6.605 -4.413 1.647 546 HA THR 94 HA THR 94 8.579 -6.405 0.788 547 HB THR 94 HB THR 94 9.538 -6.217 3.042 548 HG1 THR 94 1HG THR 94 7.743 -4.061 3.497 549 HG21 THR 94 1HG2 THR 94 10.331 -3.889 2.825 550 HG22 THR 94 2HG2 THR 94 9.062 -3.586 1.636 551 HG23 THR 94 3HG2 THR 94 10.343 -4.746 1.281 552 H GLU 95 H GLU 95 5.435 -6.489 1.845 553 HA GLU 95 HA GLU 95 5.497 -8.532 3.795 554 HB2 GLU 95 2HB GLU 95 3.511 -7.105 3.318 555 HB3 GLU 95 1HB GLU 95 3.294 -8.002 1.815 556 HG2 GLU 95 2HG GLU 95 3.085 -10.079 3.157 557 HG3 GLU 95 1HG GLU 95 3.152 -9.094 4.618 558 H LYS 96 H LYS 96 4.787 -8.587 0.361 559 HA LYS 96 HA LYS 96 4.098 -11.297 0.390 560 HB2 LYS 96 2HB LYS 96 4.011 -11.014 -2.129 561 HB3 LYS 96 1HB LYS 96 2.993 -9.939 -1.184 562 HG2 LYS 96 2HG LYS 96 3.990 -8.658 -2.922 563 HG3 LYS 96 1HG LYS 96 4.768 -8.187 -1.409 564 HD2 LYS 96 2HD LYS 96 6.436 -10.121 -2.129 565 HD3 LYS 96 1HD LYS 96 5.848 -9.678 -3.728 566 HE2 LYS 96 2HE LYS 96 6.710 -7.534 -1.860 567 HE3 LYS 96 1HE LYS 96 7.937 -8.510 -2.659 568 HZ1 LYS 96 1HZ LYS 96 7.113 -7.862 -4.791 569 HZ2 LYS 96 2HZ LYS 96 7.339 -6.446 -3.878 570 HZ3 LYS 96 3HZ LYS 96 5.777 -7.068 -4.110 571 H ILE 97 H ILE 97 7.181 -10.032 0.473 572 HA ILE 97 HA ILE 97 8.266 -12.284 -1.033 573 HB ILE 97 HB ILE 97 10.526 -11.144 -0.366 574 HG12 ILE 97 2HG1 ILE 97 9.969 -8.555 -0.630 575 HG13 ILE 97 1HG1 ILE 97 8.510 -9.047 0.226 576 HG21 ILE 97 1HG2 ILE 97 9.756 -11.470 -2.626 577 HG22 ILE 97 2HG2 ILE 97 10.431 -9.851 -2.446 578 HG23 ILE 97 3HG2 ILE 97 8.682 -10.079 -2.489 579 HD11 ILE 97 1HD1 ILE 97 11.333 -9.489 1.159 580 HD12 ILE 97 2HD1 ILE 97 9.867 -9.984 2.009 581 HD13 ILE 97 3HD1 ILE 97 10.210 -8.269 1.766 582 H LYS 98 H LYS 98 8.649 -10.876 2.246 583 HA LYS 98 HA LYS 98 10.061 -13.257 3.067 584 HB2 LYS 98 2HB LYS 98 10.107 -12.047 5.330 585 HB3 LYS 98 1HB LYS 98 11.032 -11.373 4.003 586 HG2 LYS 98 2HG LYS 98 9.981 -9.593 5.187 587 HG3 LYS 98 1HG LYS 98 9.209 -9.748 3.612 588 HD2 LYS 98 2HD LYS 98 7.354 -10.972 4.653 589 HD3 LYS 98 1HD LYS 98 8.126 -10.790 6.229 590 HE2 LYS 98 2HE LYS 98 7.436 -8.437 4.495 591 HE3 LYS 98 1HE LYS 98 6.280 -9.140 5.632 592 HZ1 LYS 98 1HZ LYS 98 8.918 -7.935 6.294 593 HZ2 LYS 98 2HZ LYS 98 7.940 -8.758 7.407 594 HZ3 LYS 98 3HZ LYS 98 7.383 -7.327 6.694 595 H ASN 99 H ASN 99 6.836 -12.086 3.183 596 HA ASN 99 HA ASN 99 6.142 -14.229 5.061 597 HB2 ASN 99 2HB ASN 99 5.354 -11.961 5.690 598 HB3 ASN 99 1HB ASN 99 4.469 -11.874 4.173 599 HD21 ASN 99 1HD2 ASN 99 2.493 -11.644 5.145 600 HD22 ASN 99 2HD2 ASN 99 1.704 -12.929 6.001 601 H ARG 100 H ARG 100 5.569 -12.806 2.038 602 HA ARG 100 HA ARG 100 4.226 -13.304 0.270 603 HE ARG 100 HE ARG 100 8.214 -17.698 1.244 604 HB2 ARG 100 2HB ARG 100 5.003 -15.416 -0.861 605 HB3 ARG 100 1HB ARG 100 6.233 -14.229 -0.477 606 HG2 ARG 100 2HG ARG 100 6.906 -15.585 1.460 607 HG3 ARG 100 1HG ARG 100 5.691 -16.790 1.010 608 HD2 ARG 100 2HD ARG 100 6.764 -17.156 -1.112 609 HD3 ARG 100 1HD ARG 100 7.904 -15.849 -0.808 610 HH11 ARG 100 1HH1 ARG 100 8.591 -17.553 -2.234 611 HH12 ARG 100 2HH1 ARG 100 9.886 -18.716 -2.272 612 HH21 ARG 100 1HH2 ARG 100 9.929 -19.213 1.209 613 HH22 ARG 100 2HH2 ARG 100 10.648 -19.658 -0.315 614 H ASP 101 H ASP 101 2.457 -13.452 2.013 615 HA ASP 101 HA ASP 101 1.295 -16.131 2.162 616 HB2 ASP 101 2HB ASP 101 1.486 -14.792 4.242 617 HB3 ASP 101 1HB ASP 101 0.430 -13.575 3.533 Start of MODEL 15 1 HA LEU 25 HA LEU 25 15.836 -2.196 3.795 2 HG LEU 25 HG LEU 25 12.467 -1.329 2.411 3 H1 LEU 25 1HT LEU 25 15.302 0.211 5.438 4 H2 LEU 25 2HT LEU 25 16.269 -1.109 5.877 5 H3 LEU 25 3HT LEU 25 14.599 -1.313 5.682 6 HB2 LEU 25 2HB LEU 25 14.141 0.256 3.307 7 HB3 LEU 25 1HB LEU 25 14.738 -0.740 1.998 8 HD11 LEU 25 1HD1 LEU 25 14.258 -3.443 3.587 9 HD12 LEU 25 2HD1 LEU 25 13.952 -3.172 1.871 10 HD13 LEU 25 3HD1 LEU 25 12.642 -3.697 2.927 11 HD21 LEU 25 1HD2 LEU 25 12.280 -0.477 4.690 12 HD22 LEU 25 2HD2 LEU 25 13.227 -1.846 5.277 13 HD23 LEU 25 3HD2 LEU 25 11.644 -2.115 4.548 14 H SER 26 H SER 26 17.295 -1.822 2.053 15 HA SER 26 HA SER 26 19.233 0.242 2.473 16 HG SER 26 HG SER 26 19.656 -2.297 2.437 17 HB2 SER 26 2HB SER 26 18.977 -1.273 -0.108 18 HB3 SER 26 1HB SER 26 20.432 -0.713 0.710 19 H GLU 27 H GLU 27 19.824 1.718 0.571 20 HA GLU 27 HA GLU 27 17.669 3.448 0.069 21 HB2 GLU 27 2HB GLU 27 20.465 3.237 -0.967 22 HB3 GLU 27 1HB GLU 27 19.346 4.336 -1.761 23 HG2 GLU 27 2HG GLU 27 20.756 5.394 -0.027 24 HG3 GLU 27 1HG GLU 27 19.028 5.577 0.236 25 H GLU 28 H GLU 28 19.208 1.028 -2.023 26 HA GLU 28 HA GLU 28 17.759 1.507 -4.352 27 HB2 GLU 28 2HB GLU 28 18.207 -0.904 -4.877 28 HB3 GLU 28 1HB GLU 28 19.631 0.009 -4.397 29 HG2 GLU 28 2HG GLU 28 19.621 -0.971 -2.226 30 HG3 GLU 28 1HG GLU 28 18.055 -1.730 -2.515 31 H GLN 29 H GLN 29 17.000 -0.709 -1.680 32 HA GLN 29 HA GLN 29 14.528 -1.576 -2.689 33 HB2 GLN 29 2HB GLN 29 15.304 -1.461 0.220 34 HB3 GLN 29 1HB GLN 29 14.251 -2.610 -0.579 35 HG2 GLN 29 2HG GLN 29 16.203 -3.458 -1.844 36 HG3 GLN 29 1HG GLN 29 17.226 -2.389 -0.891 37 HE21 GLN 29 1HE2 GLN 29 18.388 -4.072 0.011 38 HE22 GLN 29 2HE2 GLN 29 17.715 -5.135 1.200 39 H LYS 30 H LYS 30 15.511 1.110 -0.665 40 HA LYS 30 HA LYS 30 12.956 2.006 0.104 41 HB2 LYS 30 2HB LYS 30 15.663 3.228 -0.062 42 HB3 LYS 30 1HB LYS 30 14.281 4.313 0.050 43 HG2 LYS 30 2HG LYS 30 13.658 3.514 2.120 44 HG3 LYS 30 1HG LYS 30 14.597 2.047 1.938 45 HD2 LYS 30 2HD LYS 30 15.701 3.482 3.513 46 HD3 LYS 30 1HD LYS 30 16.663 3.405 2.037 47 HE2 LYS 30 2HE LYS 30 15.783 5.542 1.316 48 HE3 LYS 30 1HE LYS 30 14.726 5.609 2.728 49 HZ1 LYS 30 1HZ LYS 30 17.700 5.562 2.812 50 HZ2 LYS 30 2HZ LYS 30 16.664 5.678 4.148 51 HZ3 LYS 30 3HZ LYS 30 16.735 6.945 3.025 52 H GLN 31 H GLN 31 14.963 2.734 -2.716 53 HA GLN 31 HA GLN 31 13.356 4.726 -3.809 54 HB2 GLN 31 2HB GLN 31 15.119 2.693 -5.177 55 HB3 GLN 31 1HB GLN 31 14.394 4.065 -5.999 56 HG2 GLN 31 2HG GLN 31 15.602 5.568 -4.441 57 HG3 GLN 31 1HG GLN 31 16.399 4.150 -3.756 58 HE21 GLN 31 1HE2 GLN 31 15.628 4.450 -7.135 59 HE22 GLN 31 2HE2 GLN 31 17.253 4.593 -7.706 60 H GLU 32 H GLU 32 13.159 1.215 -4.082 61 HA GLU 32 HA GLU 32 11.139 1.042 -6.008 62 HB2 GLU 32 2HB GLU 32 11.480 -0.791 -3.626 63 HB3 GLU 32 1HB GLU 32 10.711 -1.178 -5.157 64 HG2 GLU 32 2HG GLU 32 12.878 -0.912 -6.288 65 HG3 GLU 32 1HG GLU 32 13.631 -0.602 -4.724 66 H ILE 33 H ILE 33 10.932 1.167 -2.481 67 HA ILE 33 HA ILE 33 8.087 1.096 -2.368 68 HB ILE 33 HB ILE 33 10.137 1.891 -0.293 69 HG12 ILE 33 2HG1 ILE 33 8.667 -0.703 -0.800 70 HG13 ILE 33 1HG1 ILE 33 10.387 -0.410 -1.036 71 HG21 ILE 33 1HG2 ILE 33 7.209 1.280 0.055 72 HG22 ILE 33 2HG2 ILE 33 7.997 2.843 0.288 73 HG23 ILE 33 3HG2 ILE 33 8.374 1.496 1.362 74 HD11 ILE 33 1HD1 ILE 33 10.658 -0.069 1.362 75 HD12 ILE 33 2HD1 ILE 33 9.964 -1.653 1.007 76 HD13 ILE 33 3HD1 ILE 33 8.932 -0.346 1.597 77 H LYS 34 H LYS 34 10.470 3.669 -1.866 78 HA LYS 34 HA LYS 34 8.774 5.781 -1.211 79 HB2 LYS 34 2HB LYS 34 11.513 5.380 -1.838 80 HB3 LYS 34 1HB LYS 34 10.941 6.699 -2.832 81 HG2 LYS 34 2HG LYS 34 11.981 7.469 -0.785 82 HG3 LYS 34 1HG LYS 34 10.280 7.939 -0.865 83 HD2 LYS 34 2HD LYS 34 10.922 7.179 1.361 84 HD3 LYS 34 1HD LYS 34 9.718 6.104 0.637 85 HE2 LYS 34 2HE LYS 34 11.449 4.526 0.027 86 HE3 LYS 34 1HE LYS 34 12.700 5.625 0.609 87 HZ1 LYS 34 1HZ LYS 34 10.604 4.388 2.307 88 HZ2 LYS 34 2HZ LYS 34 11.862 5.373 2.854 89 HZ3 LYS 34 3HZ LYS 34 12.197 3.846 2.200 90 H GLU 35 H GLU 35 10.036 4.782 -4.377 91 HA GLU 35 HA GLU 35 8.873 6.958 -5.787 92 HB2 GLU 35 2HB GLU 35 10.914 5.652 -6.453 93 HB3 GLU 35 1HB GLU 35 9.840 4.344 -6.929 94 HG2 GLU 35 2HG GLU 35 8.747 5.829 -8.544 95 HG3 GLU 35 1HG GLU 35 9.860 7.119 -8.093 96 H ALA 36 H ALA 36 7.880 3.625 -5.182 97 HA ALA 36 HA ALA 36 5.645 3.625 -6.916 98 HB1 ALA 36 1HB ALA 36 6.499 1.548 -5.975 99 HB2 ALA 36 2HB ALA 36 4.802 1.768 -5.540 100 HB3 ALA 36 3HB ALA 36 6.067 2.088 -4.354 101 H PHE 37 H PHE 37 6.092 4.524 -3.543 102 HA PHE 37 HA PHE 37 3.478 5.217 -2.910 103 HD1 PHE 37 1HD PHE 37 2.827 5.335 -0.513 104 HD2 PHE 37 2HD PHE 37 5.751 8.400 -0.868 105 HE1 PHE 37 1HE PHE 37 1.549 6.720 1.039 106 HE2 PHE 37 2HE PHE 37 4.477 9.796 0.696 107 HZ PHE 37 HZ PHE 37 2.443 8.942 1.736 108 HB2 PHE 37 2HB PHE 37 5.310 4.979 -1.291 109 HB3 PHE 37 1HB PHE 37 6.079 6.419 -1.947 110 H ASP 38 H ASP 38 6.115 7.227 -4.232 111 HA ASP 38 HA ASP 38 4.580 9.602 -4.461 112 HB2 ASP 38 2HB ASP 38 7.128 8.672 -5.770 113 HB3 ASP 38 1HB ASP 38 6.399 10.221 -6.174 114 H LEU 39 H LEU 39 4.463 6.730 -6.191 115 HA LEU 39 HA LEU 39 3.508 7.979 -8.649 116 HG LEU 39 HG LEU 39 2.350 5.088 -9.655 117 HB2 LEU 39 2HB LEU 39 5.071 6.150 -8.889 118 HB3 LEU 39 1HB LEU 39 4.058 5.105 -7.915 119 HD11 LEU 39 1HD1 LEU 39 4.254 6.845 -11.190 120 HD12 LEU 39 2HD1 LEU 39 2.680 7.318 -10.549 121 HD13 LEU 39 3HD1 LEU 39 2.784 6.112 -11.832 122 HD21 LEU 39 1HD2 LEU 39 3.602 3.842 -11.347 123 HD22 LEU 39 2HD2 LEU 39 4.117 3.412 -9.715 124 HD23 LEU 39 3HD2 LEU 39 5.112 4.484 -10.701 125 H PHE 40 H PHE 40 2.382 6.167 -5.884 126 HA PHE 40 HA PHE 40 -0.226 5.747 -7.121 127 HD1 PHE 40 1HD PHE 40 -0.090 3.997 -8.043 128 HD2 PHE 40 2HD PHE 40 1.977 2.617 -4.591 129 HE1 PHE 40 1HE PHE 40 0.833 2.121 -9.346 130 HE2 PHE 40 2HE PHE 40 2.901 0.746 -5.883 131 HZ PHE 40 HZ PHE 40 2.334 0.496 -8.265 132 HB2 PHE 40 2HB PHE 40 0.934 4.684 -4.550 133 HB3 PHE 40 1HB PHE 40 -0.684 4.316 -5.139 134 H ASP 41 H ASP 41 1.260 7.957 -5.026 135 HA ASP 41 HA ASP 41 -1.142 8.508 -3.480 136 HB2 ASP 41 2HB ASP 41 0.190 10.019 -2.205 137 HB3 ASP 41 1HB ASP 41 1.217 8.630 -2.533 138 H THR 42 H THR 42 -1.504 8.797 -6.200 139 HA THR 42 HA THR 42 -0.872 11.186 -7.409 140 HB THR 42 HB THR 42 -2.991 10.743 -8.788 141 HG1 THR 42 1HG THR 42 -3.422 9.032 -6.772 142 HG21 THR 42 1HG2 THR 42 -1.930 8.814 -9.911 143 HG22 THR 42 2HG2 THR 42 -0.826 8.657 -8.545 144 HG23 THR 42 3HG2 THR 42 -0.784 10.104 -9.552 145 H ASN 43 H ASN 43 -3.666 10.516 -5.306 146 HA ASN 43 HA ASN 43 -4.520 13.300 -5.776 147 HB2 ASN 43 2HB ASN 43 -6.145 11.479 -6.341 148 HB3 ASN 43 1HB ASN 43 -6.174 11.062 -4.631 149 HD21 ASN 43 1HD2 ASN 43 -6.965 13.498 -6.991 150 HD22 ASN 43 2HD2 ASN 43 -8.095 14.366 -6.004 151 H LYS 44 H LYS 44 -3.948 10.916 -3.208 152 HA LYS 44 HA LYS 44 -4.706 12.706 -1.112 153 HB2 LYS 44 2HB LYS 44 -4.163 9.981 -1.292 154 HB3 LYS 44 1HB LYS 44 -2.850 10.607 -0.310 155 HG2 LYS 44 2HG LYS 44 -5.748 11.145 0.297 156 HG3 LYS 44 1HG LYS 44 -4.872 9.754 0.926 157 HD2 LYS 44 2HD LYS 44 -4.672 11.262 2.661 158 HD3 LYS 44 1HD LYS 44 -3.177 11.545 1.773 159 HE2 LYS 44 2HE LYS 44 -4.195 13.472 0.666 160 HE3 LYS 44 1HE LYS 44 -5.704 13.179 1.536 161 HZ1 LYS 44 1HZ LYS 44 -4.591 13.628 3.614 162 HZ2 LYS 44 2HZ LYS 44 -4.327 14.925 2.555 163 HZ3 LYS 44 3HZ LYS 44 -3.097 13.797 2.828 164 H THR 45 H THR 45 -1.735 11.767 -2.679 165 HA THR 45 HA THR 45 0.304 12.688 -2.834 166 HB THR 45 HB THR 45 0.438 15.135 -2.836 167 HG1 THR 45 1HG THR 45 -1.582 15.014 -1.168 168 HG21 THR 45 1HG2 THR 45 -1.217 15.501 -4.629 169 HG22 THR 45 2HG2 THR 45 -1.991 13.973 -4.198 170 HG23 THR 45 3HG2 THR 45 -0.338 13.982 -4.821 171 H GLY 46 H GLY 46 1.723 11.995 -1.444 172 HA2 GLY 46 2HA GLY 46 3.220 12.286 0.351 173 HA3 GLY 46 1HA GLY 46 2.119 13.466 1.057 174 H SER 47 H SER 47 0.205 11.051 0.170 175 HA SER 47 HA SER 47 0.631 9.122 2.235 176 HG SER 47 HG SER 47 0.737 11.164 3.496 177 HB2 SER 47 2HB SER 47 -1.701 11.045 2.492 178 HB3 SER 47 1HB SER 47 -1.474 9.585 3.455 179 H ILE 48 H ILE 48 -1.271 7.530 2.225 180 HA ILE 48 HA ILE 48 -2.171 7.294 -0.566 181 HB ILE 48 HB ILE 48 -1.440 5.272 1.502 182 HG12 ILE 48 2HG1 ILE 48 0.274 5.866 -0.077 183 HG13 ILE 48 1HG1 ILE 48 -0.299 4.245 -0.448 184 HG21 ILE 48 1HG2 ILE 48 -3.229 4.721 -0.850 185 HG22 ILE 48 2HG2 ILE 48 -3.667 4.627 0.858 186 HG23 ILE 48 3HG2 ILE 48 -2.485 3.500 0.186 187 HD11 ILE 48 1HD1 ILE 48 -1.078 6.758 -1.904 188 HD12 ILE 48 2HD1 ILE 48 -1.646 5.129 -2.272 189 HD13 ILE 48 3HD1 ILE 48 0.058 5.535 -2.468 190 H ASP 49 H ASP 49 -4.267 7.269 -1.044 191 HA ASP 49 HA ASP 49 -6.227 6.981 1.132 192 HB2 ASP 49 2HB ASP 49 -6.480 9.087 0.024 193 HB3 ASP 49 1HB ASP 49 -6.388 8.334 -1.564 194 H TYR 50 H TYR 50 -8.029 5.593 0.819 195 HA TYR 50 HA TYR 50 -7.340 3.117 -0.310 196 HD1 TYR 50 1HD TYR 50 -11.496 3.814 -0.937 197 HD2 TYR 50 2HD TYR 50 -9.483 5.218 2.536 198 HE1 TYR 50 1HE TYR 50 -13.262 5.494 -0.598 199 HE2 TYR 50 2HE TYR 50 -11.239 6.897 2.887 200 HH TYR 50 HH TYR 50 -14.204 6.830 1.263 201 HB2 TYR 50 2HB TYR 50 -9.725 2.485 0.163 202 HB3 TYR 50 1HB TYR 50 -8.846 3.140 1.540 203 H HIS 51 H HIS 51 -8.999 5.834 -1.677 204 HA HIS 51 HA HIS 51 -10.420 4.506 -3.715 205 HD1 HIS 51 1HD HIS 51 -8.767 8.388 -5.439 206 HD2 HIS 51 2HD HIS 51 -12.177 6.048 -5.899 207 HE1 HIS 51 1HE HIS 51 -9.604 8.855 -7.768 208 HE2 HIS 51 2HE HIS 51 -11.786 7.601 -7.934 209 HB2 HIS 51 2HB HIS 51 -11.088 6.706 -3.248 210 HB3 HIS 51 1HB HIS 51 -9.440 7.323 -3.335 211 H GLU 52 H GLU 52 -7.117 5.794 -3.589 212 HA GLU 52 HA GLU 52 -6.695 4.905 -6.339 213 HB2 GLU 52 2HB GLU 52 -4.571 6.120 -6.229 214 HB3 GLU 52 1HB GLU 52 -5.935 7.148 -5.829 215 HG2 GLU 52 2HG GLU 52 -5.210 6.377 -3.356 216 HG3 GLU 52 1HG GLU 52 -3.656 6.277 -4.183 217 H LEU 53 H LEU 53 -6.473 3.603 -3.326 218 HA LEU 53 HA LEU 53 -4.022 2.260 -3.271 219 HG LEU 53 HG LEU 53 -5.065 -0.505 -2.179 220 HB2 LEU 53 2HB LEU 53 -5.530 2.358 -1.339 221 HB3 LEU 53 1HB LEU 53 -6.690 1.348 -2.182 222 HD11 LEU 53 1HD1 LEU 53 -3.004 0.792 -2.067 223 HD12 LEU 53 2HD1 LEU 53 -3.100 -0.383 -0.753 224 HD13 LEU 53 3HD1 LEU 53 -3.424 1.321 -0.437 225 HD21 LEU 53 1HD2 LEU 53 -5.709 0.673 0.516 226 HD22 LEU 53 2HD2 LEU 53 -5.280 -1.008 0.201 227 HD23 LEU 53 3HD2 LEU 53 -6.770 -0.341 -0.463 228 H LYS 54 H LYS 54 -6.928 1.583 -5.071 229 HA LYS 54 HA LYS 54 -6.528 -1.141 -5.598 230 HB2 LYS 54 2HB LYS 54 -7.966 -0.786 -7.572 231 HB3 LYS 54 1HB LYS 54 -8.654 -0.113 -6.102 232 HG2 LYS 54 2HG LYS 54 -8.100 2.096 -6.781 233 HG3 LYS 54 1HG LYS 54 -7.111 1.484 -8.110 234 HD2 LYS 54 2HD LYS 54 -9.219 2.305 -8.973 235 HD3 LYS 54 1HD LYS 54 -9.136 0.556 -9.164 236 HE2 LYS 54 2HE LYS 54 -11.332 1.102 -8.416 237 HE3 LYS 54 1HE LYS 54 -10.487 0.345 -7.068 238 HZ1 LYS 54 1HZ LYS 54 -10.593 3.287 -7.368 239 HZ2 LYS 54 2HZ LYS 54 -10.283 2.373 -5.967 240 HZ3 LYS 54 3HZ LYS 54 -11.844 2.430 -6.614 241 H VAL 55 H VAL 55 -5.255 1.695 -7.193 242 HA VAL 55 HA VAL 55 -3.970 0.267 -9.306 243 HB VAL 55 HB VAL 55 -3.312 3.021 -8.234 244 HG11 VAL 55 1HG1 VAL 55 -2.384 3.412 -10.480 245 HG12 VAL 55 2HG1 VAL 55 -2.714 1.731 -10.897 246 HG13 VAL 55 3HG1 VAL 55 -1.545 2.112 -9.634 247 HG21 VAL 55 1HG2 VAL 55 -4.748 3.873 -10.036 248 HG22 VAL 55 2HG2 VAL 55 -5.652 2.906 -8.872 249 HG23 VAL 55 3HG2 VAL 55 -5.213 2.220 -10.435 250 H ALA 56 H ALA 56 -3.108 1.382 -6.101 251 HA ALA 56 HA ALA 56 -0.338 0.949 -6.205 252 HB1 ALA 56 1HB ALA 56 -0.404 1.032 -3.782 253 HB2 ALA 56 2HB ALA 56 -2.150 0.784 -3.798 254 HB3 ALA 56 3HB ALA 56 -1.465 2.268 -4.459 255 H MET 57 H MET 57 -2.871 -1.131 -4.753 256 HA MET 57 HA MET 57 -0.977 -3.228 -4.349 257 HB2 MET 57 2HB MET 57 -3.141 -4.596 -3.880 258 HB3 MET 57 1HB MET 57 -2.579 -3.390 -2.739 259 HG2 MET 57 2HG MET 57 -4.963 -3.276 -2.987 260 HG3 MET 57 1HG MET 57 -4.222 -1.812 -3.625 261 HE1 MET 57 1HE MET 57 -4.201 -5.275 -5.324 262 HE2 MET 57 2HE MET 57 -5.576 -5.194 -6.433 263 HE3 MET 57 3HE MET 57 -5.853 -5.313 -4.696 264 H ARG 58 H ARG 58 -3.062 -2.382 -6.945 265 HA ARG 58 HA ARG 58 -3.140 -4.808 -8.344 266 HE ARG 58 HE ARG 58 -4.826 -4.228 -12.970 267 HB2 ARG 58 2HB ARG 58 -4.339 -2.699 -8.992 268 HB3 ARG 58 1HB ARG 58 -2.804 -2.063 -9.565 269 HG2 ARG 58 2HG ARG 58 -2.676 -3.971 -11.156 270 HG3 ARG 58 1HG ARG 58 -4.298 -4.442 -10.642 271 HD2 ARG 58 2HD ARG 58 -5.072 -2.156 -11.280 272 HD3 ARG 58 1HD ARG 58 -3.476 -1.867 -11.965 273 HH11 ARG 58 1HH1 ARG 58 -4.071 -0.842 -13.438 274 HH12 ARG 58 2HH1 ARG 58 -4.638 -0.803 -15.080 275 HH21 ARG 58 1HH2 ARG 58 -5.524 -4.196 -15.157 276 HH22 ARG 58 2HH2 ARG 58 -5.466 -2.707 -16.055 277 H ALA 59 H ALA 59 -0.700 -2.252 -8.228 278 HA ALA 59 HA ALA 59 1.087 -3.417 -10.090 279 HB1 ALA 59 1HB ALA 59 1.207 -1.059 -9.433 280 HB2 ALA 59 2HB ALA 59 2.751 -1.882 -9.203 281 HB3 ALA 59 3HB ALA 59 1.719 -1.541 -7.814 282 H LEU 60 H LEU 60 0.530 -3.948 -6.693 283 HA LEU 60 HA LEU 60 2.899 -5.478 -6.219 284 HG LEU 60 HG LEU 60 1.744 -4.274 -2.919 285 HB2 LEU 60 2HB LEU 60 0.352 -4.982 -4.738 286 HB3 LEU 60 1HB LEU 60 1.377 -6.312 -4.237 287 HD11 LEU 60 1HD1 LEU 60 4.076 -5.118 -4.624 288 HD12 LEU 60 2HD1 LEU 60 3.542 -5.874 -3.121 289 HD13 LEU 60 3HD1 LEU 60 4.194 -4.234 -3.105 290 HD21 LEU 60 1HD2 LEU 60 2.872 -2.351 -3.910 291 HD22 LEU 60 2HD2 LEU 60 1.279 -2.608 -4.625 292 HD23 LEU 60 3HD2 LEU 60 2.728 -3.094 -5.505 293 H GLY 61 H GLY 61 -0.082 -6.082 -7.739 294 HA2 GLY 61 2HA GLY 61 -0.415 -7.890 -9.175 295 HA3 GLY 61 1HA GLY 61 0.825 -8.782 -8.313 296 H PHE 62 H PHE 62 -2.197 -7.228 -7.195 297 HA PHE 62 HA PHE 62 -3.058 -9.905 -6.294 298 HD1 PHE 62 2HD PHE 62 -1.838 -10.226 -4.245 299 HD2 PHE 62 1HD PHE 62 -2.547 -6.063 -3.775 300 HE1 PHE 62 2HE PHE 62 0.163 -10.057 -2.865 301 HE2 PHE 62 1HE PHE 62 -0.530 -5.873 -2.386 302 HZ PHE 62 HZ PHE 62 0.750 -7.754 -1.813 303 HB2 PHE 62 2HB PHE 62 -3.972 -7.313 -5.053 304 HB3 PHE 62 1HB PHE 62 -4.226 -8.943 -4.453 305 H ASP 63 H ASP 63 -5.439 -10.022 -5.994 306 HA ASP 63 HA ASP 63 -7.017 -8.109 -7.524 307 HB2 ASP 63 2HB ASP 63 -6.655 -9.985 -9.089 308 HB3 ASP 63 1HB ASP 63 -7.286 -11.110 -7.886 309 H VAL 64 H VAL 64 -8.151 -7.288 -5.886 310 HA VAL 64 HA VAL 64 -9.126 -9.148 -3.826 311 HB VAL 64 HB VAL 64 -8.892 -7.291 -2.188 312 HG11 VAL 64 1HG1 VAL 64 -7.222 -9.060 -2.327 313 HG12 VAL 64 2HG1 VAL 64 -6.470 -7.517 -1.929 314 HG13 VAL 64 3HG1 VAL 64 -6.354 -8.155 -3.568 315 HG21 VAL 64 1HG2 VAL 64 -8.894 -5.400 -3.693 316 HG22 VAL 64 2HG2 VAL 64 -7.404 -5.963 -4.449 317 HG23 VAL 64 3HG2 VAL 64 -7.392 -5.422 -2.769 318 H LYS 65 H LYS 65 -9.813 -6.232 -5.633 319 HA LYS 65 HA LYS 65 -11.674 -4.984 -5.956 320 HB2 LYS 65 2HB LYS 65 -12.953 -7.657 -5.398 321 HB3 LYS 65 1HB LYS 65 -13.857 -6.248 -5.941 322 HG2 LYS 65 2HG LYS 65 -13.203 -6.513 -8.050 323 HG3 LYS 65 1HG LYS 65 -11.524 -6.776 -7.585 324 HD2 LYS 65 2HD LYS 65 -13.737 -8.823 -7.581 325 HD3 LYS 65 1HD LYS 65 -12.374 -8.742 -8.700 326 HE2 LYS 65 2HE LYS 65 -10.880 -8.923 -6.643 327 HE3 LYS 65 1HE LYS 65 -12.345 -9.377 -5.767 328 HZ1 LYS 65 1HZ LYS 65 -12.657 -11.178 -7.443 329 HZ2 LYS 65 2HZ LYS 65 -11.295 -11.370 -6.453 330 HZ3 LYS 65 3HZ LYS 65 -11.107 -10.819 -8.045 331 H LYS 66 H LYS 66 -14.128 -4.785 -4.809 332 HA LYS 66 HA LYS 66 -13.557 -3.130 -2.699 333 HB2 LYS 66 2HB LYS 66 -16.128 -4.416 -3.533 334 HB3 LYS 66 1HB LYS 66 -16.059 -3.385 -2.112 335 HG2 LYS 66 2HG LYS 66 -16.738 -1.957 -3.811 336 HG3 LYS 66 1HG LYS 66 -15.011 -1.635 -3.660 337 HD2 LYS 66 2HD LYS 66 -15.532 -1.768 -5.987 338 HD3 LYS 66 1HD LYS 66 -14.632 -3.223 -5.553 339 HE2 LYS 66 2HE LYS 66 -16.693 -4.496 -5.434 340 HE3 LYS 66 1HE LYS 66 -17.638 -3.045 -5.771 341 HZ1 LYS 66 1HZ LYS 66 -15.681 -4.318 -7.609 342 HZ2 LYS 66 2HZ LYS 66 -16.552 -2.902 -7.933 343 HZ3 LYS 66 3HZ LYS 66 -17.371 -4.376 -7.754 344 HA PRO 67 HA PRO 67 -15.311 -6.433 0.496 345 HB2 PRO 67 2HB PRO 67 -14.316 -8.896 -0.846 346 HB3 PRO 67 1HB PRO 67 -15.783 -8.642 0.106 347 HG2 PRO 67 2HG PRO 67 -15.912 -8.824 -2.541 348 HG3 PRO 67 1HG PRO 67 -16.917 -7.655 -1.662 349 HD2 PRO 67 2HD PRO 67 -14.426 -7.200 -3.248 350 HD3 PRO 67 1HD PRO 67 -15.884 -6.194 -3.121 351 H GLU 68 H GLU 68 -12.317 -7.218 -1.300 352 HA GLU 68 HA GLU 68 -11.028 -7.843 1.245 353 HB2 GLU 68 2HB GLU 68 -9.748 -7.953 -1.477 354 HB3 GLU 68 1HB GLU 68 -9.200 -8.726 0.001 355 HG2 GLU 68 2HG GLU 68 -11.568 -9.446 -1.692 356 HG3 GLU 68 1HG GLU 68 -10.119 -10.401 -1.389 357 H ILE 69 H ILE 69 -11.271 -5.265 -1.029 358 HA ILE 69 HA ILE 69 -8.677 -4.184 -0.335 359 HB ILE 69 HB ILE 69 -9.795 -4.117 -2.650 360 HG12 ILE 69 2HG1 ILE 69 -8.644 -1.509 -1.731 361 HG13 ILE 69 1HG1 ILE 69 -7.662 -2.970 -1.856 362 HG21 ILE 69 1HG2 ILE 69 -11.060 -1.689 -1.389 363 HG22 ILE 69 2HG2 ILE 69 -11.898 -3.105 -2.023 364 HG23 ILE 69 3HG2 ILE 69 -11.029 -2.031 -3.120 365 HD11 ILE 69 1HD1 ILE 69 -9.131 -1.564 -4.071 366 HD12 ILE 69 2HD1 ILE 69 -8.384 -3.154 -4.241 367 HD13 ILE 69 3HD1 ILE 69 -7.387 -1.741 -3.873 368 H LEU 70 H LEU 70 -12.011 -3.666 0.605 369 HA LEU 70 HA LEU 70 -11.186 -1.323 2.083 370 HG LEU 70 HG LEU 70 -15.228 -2.492 2.777 371 HB2 LEU 70 2HB LEU 70 -13.357 -0.912 2.591 372 HB3 LEU 70 1HB LEU 70 -13.596 -1.872 1.154 373 HD11 LEU 70 1HD1 LEU 70 -14.406 -4.302 1.436 374 HD12 LEU 70 2HD1 LEU 70 -14.772 -4.880 3.063 375 HD13 LEU 70 3HD1 LEU 70 -13.095 -4.597 2.579 376 HD21 LEU 70 1HD2 LEU 70 -14.646 -3.384 4.986 377 HD22 LEU 70 2HD2 LEU 70 -14.113 -1.712 4.791 378 HD23 LEU 70 3HD2 LEU 70 -12.942 -3.031 4.671 379 H GLU 71 H GLU 71 -11.637 -4.768 2.602 380 HA GLU 71 HA GLU 71 -11.111 -4.811 5.373 381 HB2 GLU 71 2HB GLU 71 -11.910 -6.804 4.231 382 HB3 GLU 71 1HB GLU 71 -10.474 -6.841 3.221 383 HG2 GLU 71 2HG GLU 71 -10.413 -8.515 5.007 384 HG3 GLU 71 1HG GLU 71 -9.089 -7.359 5.124 385 H LEU 72 H LEU 72 -9.128 -4.607 2.533 386 HA LEU 72 HA LEU 72 -6.588 -4.718 3.492 387 HG LEU 72 HG LEU 72 -5.640 -2.932 0.284 388 HB2 LEU 72 2HB LEU 72 -7.579 -4.148 1.147 389 HB3 LEU 72 1HB LEU 72 -7.503 -2.493 1.694 390 HD11 LEU 72 1HD1 LEU 72 -4.744 -2.835 3.146 391 HD12 LEU 72 2HD1 LEU 72 -5.189 -1.467 2.125 392 HD13 LEU 72 3HD1 LEU 72 -3.760 -2.425 1.740 393 HD21 LEU 72 1HD2 LEU 72 -3.965 -4.626 0.793 394 HD22 LEU 72 2HD2 LEU 72 -5.542 -5.322 0.434 395 HD23 LEU 72 3HD2 LEU 72 -4.979 -5.229 2.104 396 H MET 73 H MET 73 -8.897 -2.078 3.672 397 HA MET 73 HA MET 73 -7.068 -0.478 5.276 398 HB2 MET 73 2HB MET 73 -9.852 0.189 4.300 399 HB3 MET 73 1HB MET 73 -8.672 1.315 4.956 400 HG2 MET 73 2HG MET 73 -8.225 -0.264 2.442 401 HG3 MET 73 1HG MET 73 -8.942 1.344 2.468 402 HE1 MET 73 1HE MET 73 -7.465 2.844 4.655 403 HE2 MET 73 2HE MET 73 -7.661 3.538 3.044 404 HE3 MET 73 3HE MET 73 -6.077 3.551 3.826 405 H ASN 74 H ASN 74 -9.270 -2.874 5.888 406 HA ASN 74 HA ASN 74 -10.775 -1.620 7.974 407 HB2 ASN 74 2HB ASN 74 -11.535 -3.605 6.568 408 HB3 ASN 74 1HB ASN 74 -10.485 -4.593 7.579 409 HD21 ASN 74 1HD2 ASN 74 -12.295 -1.805 8.682 410 HD22 ASN 74 2HD2 ASN 74 -13.372 -2.677 9.718 411 H GLU 75 H GLU 75 -8.279 -4.199 8.022 412 HA GLU 75 HA GLU 75 -7.811 -3.705 10.818 413 HB2 GLU 75 2HB GLU 75 -6.308 -5.383 8.815 414 HB3 GLU 75 1HB GLU 75 -5.870 -5.269 10.516 415 HG2 GLU 75 2HG GLU 75 -8.317 -5.987 10.942 416 HG3 GLU 75 1HG GLU 75 -8.274 -6.519 9.262 417 H TYR 76 H TYR 76 -6.111 -2.818 7.806 418 HA TYR 76 HA TYR 76 -3.807 -1.851 9.199 419 HD1 TYR 76 1HD TYR 76 -5.179 -3.937 6.348 420 HD2 TYR 76 2HD TYR 76 -1.331 -2.315 7.128 421 HE1 TYR 76 1HE TYR 76 -4.167 -6.123 5.855 422 HE2 TYR 76 2HE TYR 76 -0.303 -4.484 6.643 423 HH TYR 76 HH TYR 76 -1.990 -7.023 5.129 424 HB2 TYR 76 2HB TYR 76 -4.722 -1.459 6.351 425 HB3 TYR 76 1HB TYR 76 -3.180 -0.881 6.971 426 H ASP 77 H ASP 77 -6.444 -0.186 7.495 427 HA ASP 77 HA ASP 77 -5.423 2.405 8.158 428 HB2 ASP 77 2HB ASP 77 -6.501 2.249 6.072 429 HB3 ASP 77 1HB ASP 77 -7.889 1.413 6.751 430 H ARG 78 H ARG 78 -6.947 0.226 10.059 431 HA ARG 78 HA ARG 78 -9.235 1.409 11.022 432 HE ARG 78 HE ARG 78 -11.555 1.543 13.779 433 HB2 ARG 78 2HB ARG 78 -8.119 -0.898 11.549 434 HB3 ARG 78 1HB ARG 78 -7.450 -0.040 12.931 435 HG2 ARG 78 2HG ARG 78 -10.391 -0.100 12.316 436 HG3 ARG 78 1HG ARG 78 -9.597 -1.299 13.333 437 HD2 ARG 78 2HD ARG 78 -9.262 0.169 15.039 438 HD3 ARG 78 1HD ARG 78 -9.144 1.562 13.964 439 HH11 ARG 78 1HH1 ARG 78 -10.179 -0.461 16.298 440 HH12 ARG 78 2HH1 ARG 78 -11.608 -0.452 17.282 441 HH21 ARG 78 1HH2 ARG 78 -13.445 1.582 15.076 442 HH22 ARG 78 2HH2 ARG 78 -13.471 0.725 16.594 443 H GLU 79 H GLU 79 -5.906 1.981 12.213 444 HA GLU 79 HA GLU 79 -6.974 3.899 14.122 445 HB2 GLU 79 2HB GLU 79 -4.708 4.070 14.993 446 HB3 GLU 79 1HB GLU 79 -5.235 2.400 14.905 447 HG2 GLU 79 2HG GLU 79 -3.906 2.067 12.898 448 HG3 GLU 79 1HG GLU 79 -3.410 3.759 12.936 449 H GLY 80 H GLY 80 -6.249 4.057 10.949 450 HA2 GLY 80 2HA GLY 80 -5.265 6.830 11.096 451 HA3 GLY 80 1HA GLY 80 -5.279 5.825 9.650 452 H ASN 81 H ASN 81 -7.852 4.826 9.862 453 HA ASN 81 HA ASN 81 -10.018 5.193 9.400 454 HB2 ASN 81 2HB ASN 81 -9.941 6.381 11.631 455 HB3 ASN 81 1HB ASN 81 -9.761 7.889 10.738 456 HD21 ASN 81 1HD2 ASN 81 -11.500 8.650 9.497 457 HD22 ASN 81 2HD2 ASN 81 -13.110 8.061 9.731 458 H GLY 82 H GLY 82 -9.200 5.299 7.160 459 HA2 GLY 82 2HA GLY 82 -10.476 6.488 5.361 460 HA3 GLY 82 1HA GLY 82 -9.805 7.966 6.030 461 H TYR 83 H TYR 83 -7.159 6.580 6.481 462 HA TYR 83 HA TYR 83 -6.158 5.931 3.902 463 HD1 TYR 83 1HD TYR 83 -6.591 9.487 6.187 464 HD2 TYR 83 2HD TYR 83 -3.072 8.544 4.008 465 HE1 TYR 83 1HE TYR 83 -5.324 10.979 7.634 466 HE2 TYR 83 2HE TYR 83 -1.769 10.041 5.459 467 HH TYR 83 HH TYR 83 -2.114 11.958 6.905 468 HB2 TYR 83 2HB TYR 83 -5.206 7.912 3.176 469 HB3 TYR 83 1HB TYR 83 -6.684 8.517 3.919 470 H ILE 84 H ILE 84 -3.719 5.802 3.919 471 HA ILE 84 HA ILE 84 -2.646 5.733 6.659 472 HB ILE 84 HB ILE 84 -1.280 3.826 6.230 473 HG12 ILE 84 2HG1 ILE 84 -1.098 4.441 3.689 474 HG13 ILE 84 1HG1 ILE 84 -0.938 2.764 4.207 475 HG21 ILE 84 1HG2 ILE 84 -3.543 3.360 6.975 476 HG22 ILE 84 2HG2 ILE 84 -2.945 2.071 5.928 477 HG23 ILE 84 3HG2 ILE 84 -4.084 3.260 5.298 478 HD11 ILE 84 1HD1 ILE 84 -2.312 2.951 2.223 479 HD12 ILE 84 2HD1 ILE 84 -3.419 4.032 3.068 480 HD13 ILE 84 3HD1 ILE 84 -3.260 2.354 3.584 481 H GLY 85 H GLY 85 -0.224 5.796 6.700 482 HA2 GLY 85 2HA GLY 85 0.683 7.807 4.754 483 HA3 GLY 85 1HA GLY 85 1.324 7.594 6.378 484 H PHE 86 H PHE 86 3.114 7.753 4.366 485 HA PHE 86 HA PHE 86 3.728 5.508 2.904 486 HD1 PHE 86 1HD PHE 86 5.677 5.985 0.813 487 HD2 PHE 86 2HD PHE 86 7.480 6.197 4.657 488 HE1 PHE 86 1HE PHE 86 7.655 4.839 -0.043 489 HE2 PHE 86 2HE PHE 86 9.453 5.073 3.803 490 HZ PHE 86 HZ PHE 86 9.408 4.072 1.573 491 HB2 PHE 86 2HB PHE 86 4.896 7.565 2.486 492 HB3 PHE 86 1HB PHE 86 5.582 7.567 4.113 493 H ASP 87 H ASP 87 4.488 6.133 6.312 494 HA ASP 87 HA ASP 87 6.362 3.974 6.466 495 HB2 ASP 87 2HB ASP 87 6.278 6.002 8.011 496 HB3 ASP 87 1HB ASP 87 4.935 5.201 8.824 497 H ASP 88 H ASP 88 2.923 4.289 6.866 498 HA ASP 88 HA ASP 88 2.526 1.694 8.045 499 HB2 ASP 88 2HB ASP 88 0.475 3.303 6.508 500 HB3 ASP 88 1HB ASP 88 0.185 2.091 7.750 501 H PHE 89 H PHE 89 2.972 3.036 4.954 502 HA PHE 89 HA PHE 89 1.923 0.886 3.369 503 HD1 PHE 89 2HD PHE 89 1.221 1.477 0.755 504 HD2 PHE 89 1HD PHE 89 5.203 2.897 1.194 505 HE1 PHE 89 2HE PHE 89 1.709 0.771 -1.533 506 HE2 PHE 89 1HE PHE 89 5.715 2.183 -1.103 507 HZ PHE 89 HZ PHE 89 4.030 1.303 -2.516 508 HB2 PHE 89 2HB PHE 89 1.909 3.140 2.508 509 HB3 PHE 89 1HB PHE 89 3.625 3.325 2.842 510 H LEU 90 H LEU 90 4.870 1.679 4.928 511 HA LEU 90 HA LEU 90 6.718 0.439 3.193 512 HG LEU 90 HG LEU 90 8.426 1.934 3.483 513 HB2 LEU 90 2HB LEU 90 6.773 2.017 5.450 514 HB3 LEU 90 1HB LEU 90 7.515 0.521 5.974 515 HD11 LEU 90 1HD1 LEU 90 8.655 3.507 5.304 516 HD12 LEU 90 2HD1 LEU 90 10.236 2.880 4.839 517 HD13 LEU 90 3HD1 LEU 90 9.445 2.279 6.296 518 HD21 LEU 90 1HD2 LEU 90 10.467 0.661 3.874 519 HD22 LEU 90 2HD2 LEU 90 9.067 -0.402 3.723 520 HD23 LEU 90 3HD2 LEU 90 9.745 -0.059 5.315 521 H ASP 91 H ASP 91 5.273 -0.617 6.258 522 HA ASP 91 HA ASP 91 6.703 -3.050 6.376 523 HB2 ASP 91 2HB ASP 91 4.962 -3.720 8.046 524 HB3 ASP 91 1HB ASP 91 5.804 -2.221 8.416 525 H ILE 92 H ILE 92 4.411 -2.133 4.258 526 HA ILE 92 HA ILE 92 3.104 -4.725 3.943 527 HB ILE 92 HB ILE 92 2.765 -2.103 2.526 528 HG12 ILE 92 2HG1 ILE 92 1.050 -3.491 4.543 529 HG13 ILE 92 1HG1 ILE 92 2.228 -2.243 4.949 530 HG21 ILE 92 1HG2 ILE 92 0.740 -3.084 1.572 531 HG22 ILE 92 2HG2 ILE 92 1.081 -4.606 2.394 532 HG23 ILE 92 3HG2 ILE 92 2.155 -4.036 1.115 533 HD11 ILE 92 1HD1 ILE 92 0.967 -0.654 3.564 534 HD12 ILE 92 2HD1 ILE 92 -0.042 -1.343 4.835 535 HD13 ILE 92 3HD1 ILE 92 -0.201 -1.918 3.176 536 H MET 93 H MET 93 5.142 -2.477 2.146 537 HA MET 93 HA MET 93 5.532 -4.186 -0.073 538 HB2 MET 93 2HB MET 93 7.432 -2.095 0.998 539 HB3 MET 93 1HB MET 93 7.365 -2.721 -0.645 540 HG2 MET 93 2HG MET 93 4.791 -1.782 -0.108 541 HG3 MET 93 1HG MET 93 5.892 -0.577 0.566 542 HE1 MET 93 1HE MET 93 6.109 -1.933 -3.845 543 HE2 MET 93 2HE MET 93 4.944 -2.586 -2.694 544 HE3 MET 93 3HE MET 93 6.664 -2.927 -2.496 545 H THR 94 H THR 94 6.897 -3.901 3.095 546 HA THR 94 HA THR 94 8.763 -6.077 2.564 547 HB THR 94 HB THR 94 9.547 -5.722 4.862 548 HG1 THR 94 1HG THR 94 7.937 -4.942 6.072 549 HG21 THR 94 1HG2 THR 94 10.523 -4.414 3.041 550 HG22 THR 94 2HG2 THR 94 10.484 -3.492 4.543 551 HG23 THR 94 3HG2 THR 94 9.296 -3.168 3.279 552 H GLU 95 H GLU 95 5.548 -5.791 3.312 553 HA GLU 95 HA GLU 95 5.334 -7.734 5.363 554 HB2 GLU 95 2HB GLU 95 3.582 -6.031 4.880 555 HB3 GLU 95 1HB GLU 95 3.164 -6.946 3.436 556 HG2 GLU 95 2HG GLU 95 1.618 -7.590 5.066 557 HG3 GLU 95 1HG GLU 95 2.789 -8.909 5.001 558 H LYS 96 H LYS 96 4.275 -7.808 2.024 559 HA LYS 96 HA LYS 96 3.871 -10.558 1.980 560 HB2 LYS 96 2HB LYS 96 4.075 -10.074 -0.648 561 HB3 LYS 96 1HB LYS 96 2.645 -9.727 0.304 562 HG2 LYS 96 2HG LYS 96 3.373 -7.934 -1.295 563 HG3 LYS 96 1HG LYS 96 3.122 -7.416 0.369 564 HD2 LYS 96 2HD LYS 96 5.144 -6.452 -0.709 565 HD3 LYS 96 1HD LYS 96 5.486 -7.342 0.763 566 HE2 LYS 96 2HE LYS 96 7.123 -8.071 -0.589 567 HE3 LYS 96 1HE LYS 96 5.905 -9.313 -0.852 568 HZ1 LYS 96 1HZ LYS 96 5.204 -8.156 -2.881 569 HZ2 LYS 96 2HZ LYS 96 6.837 -8.609 -2.961 570 HZ3 LYS 96 3HZ LYS 96 6.423 -6.993 -2.653 571 H ILE 97 H ILE 97 6.918 -9.083 2.023 572 HA ILE 97 HA ILE 97 8.034 -11.091 0.230 573 HB ILE 97 HB ILE 97 10.293 -9.989 0.893 574 HG12 ILE 97 2HG1 ILE 97 9.549 -7.380 1.026 575 HG13 ILE 97 1HG1 ILE 97 8.330 -8.135 2.048 576 HG21 ILE 97 1HG2 ILE 97 10.069 -8.410 -0.950 577 HG22 ILE 97 2HG2 ILE 97 8.321 -8.631 -0.919 578 HG23 ILE 97 3HG2 ILE 97 9.373 -9.984 -1.333 579 HD11 ILE 97 1HD1 ILE 97 10.093 -9.148 3.399 580 HD12 ILE 97 2HD1 ILE 97 10.239 -7.390 3.351 581 HD13 ILE 97 3HD1 ILE 97 11.313 -8.391 2.374 582 H LYS 98 H LYS 98 8.621 -10.037 3.614 583 HA LYS 98 HA LYS 98 10.249 -12.329 4.108 584 HB2 LYS 98 2HB LYS 98 10.068 -11.592 6.537 585 HB3 LYS 98 1HB LYS 98 10.806 -10.457 5.419 586 HG2 LYS 98 2HG LYS 98 9.418 -9.183 6.814 587 HG3 LYS 98 1HG LYS 98 8.554 -9.326 5.283 588 HD2 LYS 98 2HD LYS 98 7.484 -11.419 6.475 589 HD3 LYS 98 1HD LYS 98 7.954 -10.541 7.934 590 HE2 LYS 98 2HE LYS 98 6.375 -9.309 5.687 591 HE3 LYS 98 1HE LYS 98 5.621 -10.107 7.072 592 HZ1 LYS 98 1HZ LYS 98 5.712 -7.752 7.419 593 HZ2 LYS 98 2HZ LYS 98 7.389 -7.715 7.163 594 HZ3 LYS 98 3HZ LYS 98 6.751 -8.504 8.524 595 H ASN 99 H ASN 99 6.890 -11.778 4.116 596 HA ASN 99 HA ASN 99 6.429 -14.302 5.509 597 HB2 ASN 99 2HB ASN 99 4.977 -12.312 6.032 598 HB3 ASN 99 1HB ASN 99 4.368 -12.400 4.383 599 HD21 ASN 99 1HD2 ASN 99 3.017 -14.118 3.798 600 HD22 ASN 99 2HD2 ASN 99 2.248 -15.126 4.976 601 H ARG 100 H ARG 100 6.507 -12.826 2.490 602 HA ARG 100 HA ARG 100 6.028 -13.392 0.363 603 HE ARG 100 HE ARG 100 6.964 -15.998 -2.224 604 HB2 ARG 100 2HB ARG 100 7.693 -15.439 1.536 605 HB3 ARG 100 1HB ARG 100 6.742 -16.071 0.199 606 HG2 ARG 100 2HG ARG 100 8.637 -13.735 0.133 607 HG3 ARG 100 1HG ARG 100 8.848 -15.304 -0.648 608 HD2 ARG 100 2HD ARG 100 6.753 -13.228 -1.289 609 HD3 ARG 100 1HD ARG 100 8.141 -13.664 -2.285 610 HH11 ARG 100 1HH1 ARG 100 5.439 -12.857 -2.517 611 HH12 ARG 100 2HH1 ARG 100 4.057 -13.466 -3.362 612 HH21 ARG 100 1HH2 ARG 100 5.157 -16.794 -3.338 613 HH22 ARG 100 2HH2 ARG 100 3.895 -15.711 -3.841 614 H ASP 101 H ASP 101 3.749 -13.162 0.926 615 HA ASP 101 HA ASP 101 2.294 -15.701 0.695 616 HB2 ASP 101 2HB ASP 101 1.588 -14.262 2.564 617 HB3 ASP 101 1HB ASP 101 1.240 -12.958 1.430 Start of MODEL 16 1 HA LEU 25 HA LEU 25 15.885 -3.169 4.180 2 HG LEU 25 HG LEU 25 13.446 -3.311 4.494 3 H1 LEU 25 1HT LEU 25 15.503 -2.487 6.213 4 H2 LEU 25 2HT LEU 25 15.588 -2.264 6.290 5 H3 LEU 25 3HT LEU 25 15.784 -2.438 6.145 6 HB2 LEU 25 2HB LEU 25 14.068 -1.228 4.476 7 HB3 LEU 25 1HB LEU 25 14.459 -1.746 3.156 8 HD11 LEU 25 1HD1 LEU 25 12.413 -2.932 4.553 9 HD12 LEU 25 2HD1 LEU 25 12.143 -2.762 4.324 10 HD13 LEU 25 3HD1 LEU 25 12.368 -2.740 4.618 11 HD21 LEU 25 1HD2 LEU 25 12.911 -3.481 3.332 12 HD22 LEU 25 2HD2 LEU 25 12.712 -3.528 3.441 13 HD23 LEU 25 3HD2 LEU 25 12.594 -3.719 3.419 14 H SER 26 H SER 26 16.997 -2.249 2.484 15 HA SER 26 HA SER 26 18.660 -0.155 3.126 16 HG SER 26 HG SER 26 19.663 -2.546 2.158 17 HB2 SER 26 2HB SER 26 18.487 -1.427 0.604 18 HB3 SER 26 1HB SER 26 19.771 -0.560 1.171 19 H GLU 27 H GLU 27 19.056 1.624 1.551 20 HA GLU 27 HA GLU 27 16.674 2.966 1.264 21 HB2 GLU 27 2HB GLU 27 19.315 3.704 0.334 22 HB3 GLU 27 1HB GLU 27 18.122 4.679 0.354 23 HG2 GLU 27 2HG GLU 27 18.963 4.159 2.393 24 HG3 GLU 27 1HG GLU 27 19.049 4.471 2.088 25 H GLU 28 H GLU 28 18.660 1.203 -0.860 26 HA GLU 28 HA GLU 28 17.638 2.024 -3.235 27 HB2 GLU 28 2HB GLU 28 18.241 -0.175 -4.018 28 HB3 GLU 28 1HB GLU 28 19.512 0.623 -3.191 29 HG2 GLU 28 2HG GLU 28 19.015 -0.707 -1.324 30 HG3 GLU 28 1HG GLU 28 17.795 -1.410 -2.034 31 H GLN 29 H GLN 29 16.479 -0.350 -0.986 32 HA GLN 29 HA GLN 29 14.308 -1.234 -2.443 33 HB2 GLN 29 2HB GLN 29 14.521 -1.461 0.257 34 HB3 GLN 29 1HB GLN 29 13.940 -2.193 -0.341 35 HG2 GLN 29 2HG GLN 29 15.897 -2.599 -0.475 36 HG3 GLN 29 1HG GLN 29 15.544 -2.468 0.287 37 HE21 GLN 29 1HE2 GLN 29 15.028 -3.587 -0.521 38 HE22 GLN 29 2HE2 GLN 29 14.374 -4.110 -0.769 39 H LYS 30 H LYS 30 14.812 1.253 -0.166 40 HA LYS 30 HA LYS 30 12.174 1.986 0.150 41 HB2 LYS 30 2HB LYS 30 14.452 3.330 0.646 42 HB3 LYS 30 1HB LYS 30 13.423 3.936 0.969 43 HG2 LYS 30 2HG LYS 30 13.364 2.955 2.035 44 HG3 LYS 30 1HG LYS 30 13.736 2.454 1.901 45 HD2 LYS 30 2HD LYS 30 14.192 2.452 3.410 46 HD3 LYS 30 1HD LYS 30 15.138 2.897 2.743 47 HE2 LYS 30 2HE LYS 30 14.369 4.885 2.928 48 HE3 LYS 30 1HE LYS 30 13.313 4.365 3.744 49 HZ1 LYS 30 1HZ LYS 30 15.220 4.311 4.912 50 HZ2 LYS 30 2HZ LYS 30 14.933 4.438 4.893 51 HZ3 LYS 30 3HZ LYS 30 15.101 4.676 4.774 52 H GLN 31 H GLN 31 14.649 2.969 -2.044 53 HA GLN 31 HA GLN 31 13.438 5.119 -3.127 54 HB2 GLN 31 2HB GLN 31 15.225 3.293 -4.387 55 HB3 GLN 31 1HB GLN 31 14.839 4.582 -5.049 56 HG2 GLN 31 2HG GLN 31 15.956 5.058 -3.124 57 HG3 GLN 31 1HG GLN 31 16.442 4.489 -3.483 58 HE21 GLN 31 1HE2 GLN 31 16.930 5.934 -3.503 59 HE22 GLN 31 2HE2 GLN 31 17.357 6.348 -4.187 60 H GLU 32 H GLU 32 13.133 1.786 -3.985 61 HA GLU 32 HA GLU 32 11.368 2.147 -6.099 62 HB2 GLU 32 2HB GLU 32 11.554 -0.194 -4.462 63 HB3 GLU 32 1HB GLU 32 11.018 -0.172 -5.777 64 HG2 GLU 32 2HG GLU 32 13.215 0.255 -6.096 65 HG3 GLU 32 1HG GLU 32 13.120 -0.285 -5.299 66 H ILE 33 H ILE 33 10.862 1.542 -2.696 67 HA ILE 33 HA ILE 33 8.083 1.248 -2.823 68 HB ILE 33 HB ILE 33 9.877 1.903 -0.529 69 HG12 ILE 33 2HG1 ILE 33 8.610 -0.646 -1.446 70 HG13 ILE 33 1HG1 ILE 33 10.300 -0.255 -1.546 71 HG21 ILE 33 1HG2 ILE 33 7.609 1.570 0.271 72 HG22 ILE 33 2HG2 ILE 33 7.476 1.597 -0.002 73 HG23 ILE 33 3HG2 ILE 33 7.591 1.837 0.137 74 HD11 ILE 33 1HD1 ILE 33 9.534 -0.862 0.680 75 HD12 ILE 33 2HD1 ILE 33 9.734 -0.764 0.784 76 HD13 ILE 33 3HD1 ILE 33 9.742 -0.944 0.607 77 H LYS 34 H LYS 34 10.106 4.017 -1.989 78 HA LYS 34 HA LYS 34 7.919 5.685 -1.387 79 HB2 LYS 34 2HB LYS 34 10.122 6.479 -1.485 80 HB3 LYS 34 1HB LYS 34 9.986 6.835 -1.433 81 HG2 LYS 34 2HG LYS 34 10.756 6.660 -1.234 82 HG3 LYS 34 1HG LYS 34 10.295 7.268 -1.080 83 HD2 LYS 34 2HD LYS 34 10.261 7.987 0.690 84 HD3 LYS 34 1HD LYS 34 9.618 6.631 0.847 85 HE2 LYS 34 2HE LYS 34 11.538 5.658 1.029 86 HE3 LYS 34 1HE LYS 34 12.141 6.506 0.111 87 HZ1 LYS 34 1HZ LYS 34 12.228 6.921 2.139 88 HZ2 LYS 34 2HZ LYS 34 12.133 7.394 2.184 89 HZ3 LYS 34 3HZ LYS 34 12.427 7.191 1.815 90 H GLU 35 H GLU 35 9.807 5.091 -4.204 91 HA GLU 35 HA GLU 35 8.864 7.206 -5.740 92 HB2 GLU 35 2HB GLU 35 10.658 5.700 -6.319 93 HB3 GLU 35 1HB GLU 35 9.782 4.759 -6.719 94 HG2 GLU 35 2HG GLU 35 9.830 5.691 -8.011 95 HG3 GLU 35 1HG GLU 35 9.682 6.324 -7.942 96 H ALA 36 H ALA 36 7.695 3.961 -5.238 97 HA ALA 36 HA ALA 36 5.465 4.215 -6.977 98 HB1 ALA 36 1HB ALA 36 5.464 2.172 -5.810 99 HB2 ALA 36 2HB ALA 36 5.566 2.252 -5.415 100 HB3 ALA 36 3HB ALA 36 5.860 2.135 -5.692 101 H PHE 37 H PHE 37 6.030 4.802 -3.551 102 HA PHE 37 HA PHE 37 3.430 5.196 -2.704 103 HD1 PHE 37 1HD PHE 37 2.932 4.997 -0.359 104 HD2 PHE 37 2HD PHE 37 5.451 8.332 -0.422 105 HE1 PHE 37 1HE PHE 37 1.624 6.003 1.430 106 HE2 PHE 37 2HE PHE 37 4.153 9.345 1.369 107 HZ PHE 37 HZ PHE 37 2.244 8.180 2.317 108 HB2 PHE 37 2HB PHE 37 5.421 5.029 -1.246 109 HB3 PHE 37 1HB PHE 37 5.915 6.616 -1.783 110 H ASP 38 H ASP 38 5.765 7.556 -3.926 111 HA ASP 38 HA ASP 38 4.012 9.760 -3.889 112 HB2 ASP 38 2HB ASP 38 6.516 9.524 -4.868 113 HB3 ASP 38 1HB ASP 38 5.936 10.164 -5.554 114 H LEU 39 H LEU 39 4.676 7.307 -6.214 115 HA LEU 39 HA LEU 39 3.422 8.460 -8.447 116 HG LEU 39 HG LEU 39 2.580 5.412 -9.450 117 HB2 LEU 39 2HB LEU 39 4.941 6.673 -8.762 118 HB3 LEU 39 1HB LEU 39 4.056 5.635 -7.690 119 HD11 LEU 39 1HD1 LEU 39 3.044 6.541 -10.813 120 HD12 LEU 39 2HD1 LEU 39 2.582 6.897 -10.449 121 HD13 LEU 39 3HD1 LEU 39 2.609 6.395 -10.671 122 HD21 LEU 39 1HD2 LEU 39 3.829 5.115 -10.515 123 HD22 LEU 39 2HD2 LEU 39 3.527 4.527 -10.513 124 HD23 LEU 39 3HD2 LEU 39 4.265 4.873 -10.148 125 H PHE 40 H PHE 40 2.252 6.214 -5.986 126 HA PHE 40 HA PHE 40 -0.279 6.015 -7.270 127 HD1 PHE 40 1HD PHE 40 -0.446 4.209 -7.768 128 HD2 PHE 40 2HD PHE 40 1.919 2.984 -4.828 129 HE1 PHE 40 1HE PHE 40 0.442 2.394 -8.823 130 HE2 PHE 40 2HE PHE 40 2.815 1.166 -5.877 131 HZ PHE 40 HZ PHE 40 2.078 0.876 -7.890 132 HB2 PHE 40 2HB PHE 40 0.609 4.915 -4.750 133 HB3 PHE 40 1HB PHE 40 -0.789 4.570 -5.389 134 H ASP 41 H ASP 41 1.066 7.944 -4.779 135 HA ASP 41 HA ASP 41 -1.330 8.816 -3.613 136 HB2 ASP 41 2HB ASP 41 0.678 9.349 -2.487 137 HB3 ASP 41 1HB ASP 41 1.313 10.076 -3.754 138 H THR 42 H THR 42 -2.321 9.354 -5.393 139 HA THR 42 HA THR 42 -1.851 11.246 -7.315 140 HB THR 42 HB THR 42 -4.087 10.698 -8.218 141 HG1 THR 42 1HG THR 42 -4.051 8.975 -6.116 142 HG21 THR 42 1HG2 THR 42 -2.428 8.703 -8.361 143 HG22 THR 42 2HG2 THR 42 -2.250 9.217 -8.792 144 HG23 THR 42 3HG2 THR 42 -2.901 8.947 -8.850 145 H ASN 43 H ASN 43 -2.864 11.365 -4.485 146 HA ASN 43 HA ASN 43 -4.646 13.489 -4.862 147 HB2 ASN 43 2HB ASN 43 -4.955 12.164 -3.150 148 HB3 ASN 43 1HB ASN 43 -4.602 12.383 -2.685 149 HD21 ASN 43 1HD2 ASN 43 -5.175 11.693 -2.161 150 HD22 ASN 43 2HD2 ASN 43 -5.907 12.297 -1.672 151 H LYS 44 H LYS 44 -2.180 13.187 -3.287 152 HA LYS 44 HA LYS 44 -0.588 14.534 -3.079 153 HB2 LYS 44 2HB LYS 44 -1.607 15.782 -3.738 154 HB3 LYS 44 1HB LYS 44 -1.991 16.124 -2.983 155 HG2 LYS 44 2HG LYS 44 -1.097 16.461 -2.645 156 HG3 LYS 44 1HG LYS 44 -0.856 16.470 -2.898 157 HD2 LYS 44 2HD LYS 44 -0.668 17.667 -2.826 158 HD3 LYS 44 1HD LYS 44 -1.170 17.568 -3.273 159 HE2 LYS 44 2HE LYS 44 -1.932 18.055 -2.055 160 HE3 LYS 44 1HE LYS 44 -1.335 18.066 -1.626 161 HZ1 LYS 44 1HZ LYS 44 -1.819 19.164 -2.018 162 HZ2 LYS 44 2HZ LYS 44 -1.433 19.358 -2.423 163 HZ3 LYS 44 3HZ LYS 44 -1.268 19.199 -1.857 164 H THR 45 H THR 45 -1.201 13.475 -1.153 165 HA THR 45 HA THR 45 -0.553 15.103 0.702 166 HB THR 45 HB THR 45 -2.711 14.789 0.734 167 HG1 THR 45 1HG THR 45 -1.916 14.214 2.795 168 HG21 THR 45 1HG2 THR 45 -2.732 12.712 0.381 169 HG22 THR 45 2HG2 THR 45 -3.118 12.583 0.828 170 HG23 THR 45 3HG2 THR 45 -2.496 12.400 0.837 171 H GLY 46 H GLY 46 0.464 12.700 0.187 172 HA2 GLY 46 2HA GLY 46 2.110 11.327 0.502 173 HA3 GLY 46 1HA GLY 46 2.254 12.243 1.896 174 H SER 47 H SER 47 -0.569 10.623 0.855 175 HA SER 47 HA SER 47 -0.238 8.473 2.684 176 HG SER 47 HG SER 47 -0.866 10.678 3.541 177 HB2 SER 47 2HB SER 47 -2.377 9.895 3.400 178 HB3 SER 47 1HB SER 47 -1.735 9.404 4.109 179 H ILE 48 H ILE 48 -1.745 6.801 2.286 180 HA ILE 48 HA ILE 48 -2.979 7.106 -0.348 181 HB ILE 48 HB ILE 48 -1.942 4.731 0.901 182 HG12 ILE 48 2HG1 ILE 48 -0.571 5.609 0.051 183 HG13 ILE 48 1HG1 ILE 48 -0.785 4.746 -0.770 184 HG21 ILE 48 1HG2 ILE 48 -3.058 3.916 -0.724 185 HG22 ILE 48 2HG2 ILE 48 -2.880 4.434 -0.870 186 HG23 ILE 48 3HG2 ILE 48 -3.206 4.182 -0.688 187 HD11 ILE 48 1HD1 ILE 48 -1.041 6.304 -1.864 188 HD12 ILE 48 2HD1 ILE 48 -0.604 5.981 -1.940 189 HD13 ILE 48 3HD1 ILE 48 -0.672 6.509 -1.642 190 H ASP 49 H ASP 49 -5.086 6.779 -0.635 191 HA ASP 49 HA ASP 49 -6.665 5.790 1.596 192 HB2 ASP 49 2HB ASP 49 -7.516 7.768 0.790 193 HB3 ASP 49 1HB ASP 49 -7.377 7.445 -0.555 194 H TYR 50 H TYR 50 -8.544 4.387 0.963 195 HA TYR 50 HA TYR 50 -7.561 2.181 -0.402 196 HD1 TYR 50 2HD TYR 50 -9.868 3.715 2.337 197 HD2 TYR 50 1HD TYR 50 -11.475 2.223 -1.062 198 HE1 TYR 50 2HE TYR 50 -11.541 4.943 2.741 199 HE2 TYR 50 1HE TYR 50 -13.151 3.448 -0.667 200 HH TYR 50 HH TYR 50 -13.548 5.066 1.345 201 HB2 TYR 50 2HB TYR 50 -9.869 1.360 -0.071 202 HB3 TYR 50 1HB TYR 50 -9.221 1.807 1.208 203 H HIS 51 H HIS 51 -9.214 4.911 -1.539 204 HA HIS 51 HA HIS 51 -10.239 3.806 -3.863 205 HD1 HIS 51 1HD HIS 51 -10.350 7.019 -4.039 206 HD2 HIS 51 2HD HIS 51 -10.410 6.496 -5.423 207 HE1 HIS 51 1HE HIS 51 -10.694 8.063 -5.535 208 HE2 HIS 51 2HE HIS 51 -10.731 7.795 -6.325 209 HB2 HIS 51 2HB HIS 51 -10.763 5.950 -3.421 210 HB3 HIS 51 1HB HIS 51 -9.830 6.272 -3.272 211 H GLU 52 H GLU 52 -7.176 5.286 -3.157 212 HA GLU 52 HA GLU 52 -6.304 4.810 -5.851 213 HB2 GLU 52 2HB GLU 52 -4.685 6.083 -4.855 214 HB3 GLU 52 1HB GLU 52 -5.398 6.509 -4.801 215 HG2 GLU 52 2HG GLU 52 -4.684 6.265 -3.269 216 HG3 GLU 52 1HG GLU 52 -4.120 6.665 -4.097 217 H LEU 53 H LEU 53 -6.209 3.281 -2.865 218 HA LEU 53 HA LEU 53 -3.815 1.869 -3.046 219 HG LEU 53 HG LEU 53 -4.706 -0.546 -1.547 220 HB2 LEU 53 2HB LEU 53 -5.347 1.930 -1.079 221 HB3 LEU 53 1HB LEU 53 -6.370 0.855 -1.889 222 HD11 LEU 53 1HD1 LEU 53 -3.347 -0.206 -0.995 223 HD12 LEU 53 2HD1 LEU 53 -3.357 -0.058 -1.002 224 HD13 LEU 53 3HD1 LEU 53 -3.218 -0.152 -0.977 225 HD21 LEU 53 1HD2 LEU 53 -4.878 -0.188 0.065 226 HD22 LEU 53 2HD2 LEU 53 -4.718 -0.510 0.037 227 HD23 LEU 53 3HD2 LEU 53 -5.208 -0.478 -0.398 228 H LYS 54 H LYS 54 -6.849 1.467 -4.650 229 HA LYS 54 HA LYS 54 -6.617 -1.196 -5.424 230 HB2 LYS 54 2HB LYS 54 -8.244 0.633 -6.340 231 HB3 LYS 54 1HB LYS 54 -8.220 0.021 -7.017 232 HG2 LYS 54 2HG LYS 54 -8.605 -0.882 -6.080 233 HG3 LYS 54 1HG LYS 54 -8.702 -0.200 -5.583 234 HD2 LYS 54 2HD LYS 54 -10.268 -0.034 -6.680 235 HD3 LYS 54 1HD LYS 54 -10.278 0.113 -6.947 236 HE2 LYS 54 2HE LYS 54 -10.699 -0.032 -7.410 237 HE3 LYS 54 1HE LYS 54 -10.446 -0.190 -7.350 238 HZ1 LYS 54 1HZ LYS 54 -11.531 -0.157 -7.468 239 HZ2 LYS 54 2HZ LYS 54 -11.394 -0.171 -7.366 240 HZ3 LYS 54 3HZ LYS 54 -11.511 -0.090 -7.370 241 H VAL 55 H VAL 55 -5.384 1.715 -6.923 242 HA VAL 55 HA VAL 55 -4.440 0.348 -9.241 243 HB VAL 55 HB VAL 55 -3.431 2.533 -9.404 244 HG11 VAL 55 1HG1 VAL 55 -4.830 3.168 -9.673 245 HG12 VAL 55 2HG1 VAL 55 -5.112 2.695 -9.869 246 HG13 VAL 55 3HG1 VAL 55 -4.789 2.779 -10.132 247 HG21 VAL 55 1HG2 VAL 55 -3.910 3.463 -8.208 248 HG22 VAL 55 2HG2 VAL 55 -4.118 3.471 -8.262 249 HG23 VAL 55 3HG2 VAL 55 -3.987 3.692 -8.376 250 H ALA 56 H ALA 56 -3.199 1.209 -6.132 251 HA ALA 56 HA ALA 56 -0.473 0.656 -6.631 252 HB1 ALA 56 1HB ALA 56 -1.109 1.120 -4.361 253 HB2 ALA 56 2HB ALA 56 -1.076 0.906 -4.290 254 HB3 ALA 56 3HB ALA 56 -1.285 0.993 -4.295 255 H MET 57 H MET 57 -3.068 -1.252 -5.163 256 HA MET 57 HA MET 57 -1.622 -3.598 -4.799 257 HB2 MET 57 2HB MET 57 -4.358 -3.561 -5.243 258 HB3 MET 57 1HB MET 57 -3.753 -4.431 -4.486 259 HG2 MET 57 2HG MET 57 -4.066 -2.395 -3.474 260 HG3 MET 57 1HG MET 57 -4.946 -2.877 -3.573 261 HE1 MET 57 1HE MET 57 -3.957 -5.823 -2.927 262 HE2 MET 57 2HE MET 57 -4.551 -5.523 -2.843 263 HE3 MET 57 3HE MET 57 -4.186 -5.728 -2.212 264 H ARG 58 H ARG 58 -3.321 -2.397 -7.584 265 HA ARG 58 HA ARG 58 -3.153 -4.735 -9.127 266 HE ARG 58 HE ARG 58 -4.820 -2.628 -12.285 267 HB2 ARG 58 2HB ARG 58 -4.113 -2.707 -10.011 268 HB3 ARG 58 1HB ARG 58 -3.528 -2.461 -10.186 269 HG2 ARG 58 2HG ARG 58 -3.507 -2.962 -10.811 270 HG3 ARG 58 1HG ARG 58 -4.144 -3.263 -10.845 271 HD2 ARG 58 2HD ARG 58 -5.061 -1.993 -11.580 272 HD3 ARG 58 1HD ARG 58 -4.752 -1.840 -11.895 273 HH11 ARG 58 1HH1 ARG 58 -6.002 -1.124 -12.754 274 HH12 ARG 58 2HH1 ARG 58 -6.762 -0.829 -13.717 275 HH21 ARG 58 1HH2 ARG 58 -5.806 -2.243 -13.551 276 HH22 ARG 58 2HH2 ARG 58 -6.642 -1.467 -14.176 277 H ALA 59 H ALA 59 -1.054 -1.935 -8.902 278 HA ALA 59 HA ALA 59 0.781 -2.741 -10.855 279 HB1 ALA 59 1HB ALA 59 1.507 -0.887 -9.431 280 HB2 ALA 59 2HB ALA 59 1.304 -0.850 -9.368 281 HB3 ALA 59 3HB ALA 59 1.351 -0.850 -9.583 282 H LEU 60 H LEU 60 0.587 -3.393 -7.444 283 HA LEU 60 HA LEU 60 3.049 -4.782 -7.287 284 HG LEU 60 HG LEU 60 1.965 -3.263 -5.040 285 HB2 LEU 60 2HB LEU 60 0.628 -4.870 -5.558 286 HB3 LEU 60 1HB LEU 60 2.051 -5.690 -5.197 287 HD11 LEU 60 1HD1 LEU 60 2.085 -3.244 -4.290 288 HD12 LEU 60 2HD1 LEU 60 2.292 -3.580 -3.898 289 HD13 LEU 60 3HD1 LEU 60 2.117 -3.664 -3.944 290 HD21 LEU 60 1HD2 LEU 60 2.977 -3.017 -4.890 291 HD22 LEU 60 2HD2 LEU 60 3.106 -3.076 -4.879 292 HD23 LEU 60 3HD2 LEU 60 3.206 -3.002 -4.590 293 H GLY 61 H GLY 61 -0.230 -5.731 -7.834 294 HA2 GLY 61 2HA GLY 61 -0.630 -7.493 -9.413 295 HA3 GLY 61 1HA GLY 61 0.758 -8.311 -8.779 296 H PHE 62 H PHE 62 -2.078 -6.942 -7.256 297 HA PHE 62 HA PHE 62 -2.574 -9.520 -6.053 298 HD1 PHE 62 2HD PHE 62 -1.696 -9.813 -3.759 299 HD2 PHE 62 1HD PHE 62 -1.664 -5.712 -4.202 300 HE1 PHE 62 2HE PHE 62 0.334 -9.678 -2.450 301 HE2 PHE 62 1HE PHE 62 0.360 -5.566 -2.894 302 HZ PHE 62 HZ PHE 62 1.348 -7.534 -1.983 303 HB2 PHE 62 2HB PHE 62 -3.391 -6.867 -5.020 304 HB3 PHE 62 1HB PHE 62 -3.777 -8.370 -4.275 305 H ASP 63 H ASP 63 -4.600 -9.944 -5.917 306 HA ASP 63 HA ASP 63 -6.531 -8.632 -7.401 307 HB2 ASP 63 2HB ASP 63 -6.190 -10.559 -8.258 308 HB3 ASP 63 1HB ASP 63 -6.521 -11.304 -7.380 309 H VAL 64 H VAL 64 -7.344 -7.924 -5.586 310 HA VAL 64 HA VAL 64 -8.308 -9.326 -3.569 311 HB VAL 64 HB VAL 64 -8.199 -7.321 -2.355 312 HG11 VAL 64 1HG1 VAL 64 -6.293 -8.211 -2.590 313 HG12 VAL 64 2HG1 VAL 64 -6.090 -8.219 -2.444 314 HG13 VAL 64 3HG1 VAL 64 -6.071 -8.271 -2.467 315 HG21 VAL 64 1HG2 VAL 64 -6.958 -6.226 -3.959 316 HG22 VAL 64 2HG2 VAL 64 -7.201 -6.032 -3.666 317 HG23 VAL 64 3HG2 VAL 64 -7.397 -6.179 -3.851 318 H LYS 65 H LYS 65 -9.316 -7.074 -5.749 319 HA LYS 65 HA LYS 65 -11.291 -6.196 -6.216 320 HB2 LYS 65 2HB LYS 65 -12.235 -8.408 -4.703 321 HB3 LYS 65 1HB LYS 65 -13.270 -7.434 -5.566 322 HG2 LYS 65 2HG LYS 65 -12.207 -8.581 -6.926 323 HG3 LYS 65 1HG LYS 65 -11.739 -8.641 -6.885 324 HD2 LYS 65 2HD LYS 65 -12.459 -9.788 -6.950 325 HD3 LYS 65 1HD LYS 65 -12.232 -9.441 -7.713 326 HE2 LYS 65 2HE LYS 65 -10.314 -8.898 -7.106 327 HE3 LYS 65 1HE LYS 65 -10.491 -9.544 -6.598 328 HZ1 LYS 65 1HZ LYS 65 -10.745 -10.372 -7.905 329 HZ2 LYS 65 2HZ LYS 65 -10.659 -10.095 -8.017 330 HZ3 LYS 65 3HZ LYS 65 -10.940 -10.028 -7.862 331 H LYS 66 H LYS 66 -13.597 -5.758 -4.899 332 HA LYS 66 HA LYS 66 -12.853 -3.669 -3.261 333 HB2 LYS 66 2HB LYS 66 -15.108 -4.351 -4.226 334 HB3 LYS 66 1HB LYS 66 -15.459 -4.257 -3.128 335 HG2 LYS 66 2HG LYS 66 -15.058 -2.678 -3.528 336 HG3 LYS 66 1HG LYS 66 -15.064 -2.897 -3.974 337 HD2 LYS 66 2HD LYS 66 -15.974 -2.478 -3.690 338 HD3 LYS 66 1HD LYS 66 -15.951 -2.554 -3.845 339 HE2 LYS 66 2HE LYS 66 -16.784 -2.402 -3.456 340 HE3 LYS 66 1HE LYS 66 -16.931 -1.955 -3.638 341 HZ1 LYS 66 1HZ LYS 66 -17.567 -2.529 -3.923 342 HZ2 LYS 66 2HZ LYS 66 -17.541 -2.213 -3.740 343 HZ3 LYS 66 3HZ LYS 66 -17.423 -2.408 -3.700 344 HA PRO 67 HA PRO 67 -14.825 -6.178 0.339 345 HB2 PRO 67 2HB PRO 67 -14.148 -8.844 -0.174 346 HB3 PRO 67 1HB PRO 67 -15.647 -8.207 0.037 347 HG2 PRO 67 2HG PRO 67 -14.558 -8.937 -2.147 348 HG3 PRO 67 1HG PRO 67 -15.920 -8.371 -1.967 349 HD2 PRO 67 2HD PRO 67 -14.015 -7.362 -3.298 350 HD3 PRO 67 1HD PRO 67 -15.493 -6.702 -2.988 351 H GLU 68 H GLU 68 -11.939 -7.571 -1.162 352 HA GLU 68 HA GLU 68 -10.767 -7.919 1.428 353 HB2 GLU 68 2HB GLU 68 -9.763 -8.670 -1.035 354 HB3 GLU 68 1HB GLU 68 -9.085 -8.871 -0.050 355 HG2 GLU 68 2HG GLU 68 -10.547 -9.708 -0.257 356 HG3 GLU 68 1HG GLU 68 -10.163 -10.031 -0.530 357 H ILE 69 H ILE 69 -10.842 -5.479 -0.890 358 HA ILE 69 HA ILE 69 -8.186 -4.578 -0.304 359 HB ILE 69 HB ILE 69 -9.363 -4.419 -2.582 360 HG12 ILE 69 2HG1 ILE 69 -7.984 -2.006 -1.733 361 HG13 ILE 69 1HG1 ILE 69 -7.186 -3.422 -1.857 362 HG21 ILE 69 1HG2 ILE 69 -10.567 -2.385 -2.080 363 HG22 ILE 69 2HG2 ILE 69 -10.775 -2.548 -1.927 364 HG23 ILE 69 3HG2 ILE 69 -10.744 -2.559 -2.219 365 HD11 ILE 69 1HD1 ILE 69 -7.712 -2.604 -3.917 366 HD12 ILE 69 2HD1 ILE 69 -7.768 -2.632 -3.963 367 HD13 ILE 69 3HD1 ILE 69 -7.776 -2.639 -3.860 368 H LEU 70 H LEU 70 -11.465 -3.505 0.450 369 HA LEU 70 HA LEU 70 -10.426 -1.203 1.765 370 HG LEU 70 HG LEU 70 -14.613 -1.897 2.027 371 HB2 LEU 70 2HB LEU 70 -12.579 -0.544 2.247 372 HB3 LEU 70 1HB LEU 70 -12.723 -1.366 0.729 373 HD11 LEU 70 1HD1 LEU 70 -13.785 -4.029 1.530 374 HD12 LEU 70 2HD1 LEU 70 -13.741 -4.110 1.931 375 HD13 LEU 70 3HD1 LEU 70 -13.415 -4.097 1.677 376 HD21 LEU 70 1HD2 LEU 70 -13.734 -2.201 4.234 377 HD22 LEU 70 2HD2 LEU 70 -13.565 -2.309 4.231 378 HD23 LEU 70 3HD2 LEU 70 -13.748 -2.402 4.185 379 H GLU 71 H GLU 71 -11.379 -4.412 2.700 380 HA GLU 71 HA GLU 71 -11.186 -3.929 5.478 381 HB2 GLU 71 2HB GLU 71 -12.252 -5.919 4.300 382 HB3 GLU 71 1HB GLU 71 -10.825 -6.533 4.274 383 HG2 GLU 71 2HG GLU 71 -12.207 -6.562 6.020 384 HG3 GLU 71 1HG GLU 71 -11.257 -6.980 6.012 385 H LEU 72 H LEU 72 -8.973 -4.701 2.971 386 HA LEU 72 HA LEU 72 -6.811 -5.444 4.476 387 HG LEU 72 HG LEU 72 -4.694 -5.234 3.144 388 HB2 LEU 72 2HB LEU 72 -6.944 -5.529 2.032 389 HB3 LEU 72 1HB LEU 72 -6.835 -3.811 1.982 390 HD11 LEU 72 1HD1 LEU 72 -4.444 -5.514 0.994 391 HD12 LEU 72 2HD1 LEU 72 -4.611 -5.517 1.052 392 HD13 LEU 72 3HD1 LEU 72 -4.347 -5.568 1.099 393 HD21 LEU 72 1HD2 LEU 72 -4.140 -3.257 2.221 394 HD22 LEU 72 2HD2 LEU 72 -4.176 -3.374 2.464 395 HD23 LEU 72 3HD2 LEU 72 -4.392 -3.269 2.522 396 H MET 73 H MET 73 -8.116 -2.341 3.765 397 HA MET 73 HA MET 73 -5.974 -1.041 5.177 398 HB2 MET 73 2HB MET 73 -7.781 0.244 3.929 399 HB3 MET 73 1HB MET 73 -7.188 0.606 4.106 400 HG2 MET 73 2HG MET 73 -6.708 0.206 2.989 401 HG3 MET 73 1HG MET 73 -7.571 -0.006 2.861 402 HE1 MET 73 1HE MET 73 -6.644 3.016 4.011 403 HE2 MET 73 2HE MET 73 -6.843 3.013 3.979 404 HE3 MET 73 3HE MET 73 -6.631 3.388 4.037 405 H ASN 74 H ASN 74 -9.102 -2.112 5.715 406 HA ASN 74 HA ASN 74 -9.786 -0.401 7.800 407 HB2 ASN 74 2HB ASN 74 -11.384 -1.791 6.580 408 HB3 ASN 74 1HB ASN 74 -10.775 -3.131 7.341 409 HD21 ASN 74 1HD2 ASN 74 -11.312 -1.972 8.496 410 HD22 ASN 74 2HD2 ASN 74 -12.448 -1.762 9.651 411 H GLU 75 H GLU 75 -8.439 -3.642 7.818 412 HA GLU 75 HA GLU 75 -7.968 -3.667 10.556 413 HB2 GLU 75 2HB GLU 75 -6.684 -5.221 8.696 414 HB3 GLU 75 1HB GLU 75 -6.618 -5.454 9.826 415 HG2 GLU 75 2HG GLU 75 -8.516 -5.648 9.263 416 HG3 GLU 75 1HG GLU 75 -7.864 -6.034 8.656 417 H TYR 76 H TYR 76 -5.994 -2.475 7.924 418 HA TYR 76 HA TYR 76 -3.725 -2.194 9.645 419 HD1 TYR 76 1HD TYR 76 -4.288 -4.013 7.304 420 HD2 TYR 76 2HD TYR 76 -1.614 -2.416 7.057 421 HE1 TYR 76 1HE TYR 76 -3.472 -6.009 6.722 422 HE2 TYR 76 2HE TYR 76 -0.789 -4.407 6.475 423 HH TYR 76 HH TYR 76 -1.461 -6.653 5.836 424 HB2 TYR 76 2HB TYR 76 -4.072 -1.599 6.873 425 HB3 TYR 76 1HB TYR 76 -2.751 -1.280 7.566 426 H ASP 77 H ASP 77 -5.983 -0.043 8.200 427 HA ASP 77 HA ASP 77 -4.659 2.270 8.721 428 HB2 ASP 77 2HB ASP 77 -6.132 2.789 7.341 429 HB3 ASP 77 1HB ASP 77 -7.143 1.820 7.763 430 H ARG 78 H ARG 78 -5.552 2.739 10.349 431 HA ARG 78 HA ARG 78 -6.016 2.503 12.313 432 HE ARG 78 HE ARG 78 -6.914 5.337 11.532 433 HB2 ARG 78 2HB ARG 78 -5.718 3.648 12.596 434 HB3 ARG 78 1HB ARG 78 -5.212 3.407 12.758 435 HG2 ARG 78 2HG ARG 78 -5.808 4.049 12.083 436 HG3 ARG 78 1HG ARG 78 -5.848 3.538 12.161 437 HD2 ARG 78 2HD ARG 78 -6.116 4.806 12.126 438 HD3 ARG 78 1HD ARG 78 -6.251 5.167 11.792 439 HH11 ARG 78 1HH1 ARG 78 -6.147 6.055 12.240 440 HH12 ARG 78 2HH1 ARG 78 -6.535 7.019 12.143 441 HH21 ARG 78 1HH2 ARG 78 -7.421 6.616 11.404 442 HH22 ARG 78 2HH2 ARG 78 -7.266 7.341 11.663 443 H GLU 79 H GLU 79 -6.637 3.623 12.257 444 HA GLU 79 HA GLU 79 -8.093 3.585 13.304 445 HB2 GLU 79 2HB GLU 79 -7.639 4.864 14.323 446 HB3 GLU 79 1HB GLU 79 -7.588 3.872 14.365 447 HG2 GLU 79 2HG GLU 79 -6.324 4.067 13.717 448 HG3 GLU 79 1HG GLU 79 -6.470 4.734 13.796 449 H GLY 80 H GLY 80 -7.695 4.704 11.187 450 HA2 GLY 80 2HA GLY 80 -8.768 6.351 10.945 451 HA3 GLY 80 1HA GLY 80 -8.443 6.171 10.661 452 H ASN 81 H ASN 81 -8.446 5.205 9.802 453 HA ASN 81 HA ASN 81 -9.583 5.689 9.076 454 HB2 ASN 81 2HB ASN 81 -9.919 6.426 10.063 455 HB3 ASN 81 1HB ASN 81 -10.047 6.452 9.151 456 HD21 ASN 81 1HD2 ASN 81 -10.608 6.818 9.112 457 HD22 ASN 81 2HD2 ASN 81 -10.489 6.445 9.157 458 H GLY 82 H GLY 82 -8.827 5.832 7.552 459 HA2 GLY 82 2HA GLY 82 -9.841 6.588 5.827 460 HA3 GLY 82 1HA GLY 82 -9.261 7.678 6.306 461 H TYR 83 H TYR 83 -6.765 7.137 6.596 462 HA TYR 83 HA TYR 83 -5.926 6.104 4.073 463 HD1 TYR 83 1HD TYR 83 -6.734 9.687 5.499 464 HD2 TYR 83 2HD TYR 83 -5.106 8.472 2.242 465 HE1 TYR 83 1HE TYR 83 -7.881 11.260 4.700 466 HE2 TYR 83 2HE TYR 83 -6.245 10.041 1.434 467 HH TYR 83 HH TYR 83 -8.000 11.710 2.403 468 HB2 TYR 83 2HB TYR 83 -4.711 8.408 5.018 469 HB3 TYR 83 1HB TYR 83 -4.594 7.851 3.821 470 H ILE 84 H ILE 84 -3.664 5.573 4.077 471 HA ILE 84 HA ILE 84 -2.683 4.841 6.726 472 HB ILE 84 HB ILE 84 -1.384 3.079 5.613 473 HG12 ILE 84 2HG1 ILE 84 -2.596 4.195 3.285 474 HG13 ILE 84 1HG1 ILE 84 -1.134 3.658 3.479 475 HG21 ILE 84 1HG2 ILE 84 -3.610 2.286 5.596 476 HG22 ILE 84 2HG2 ILE 84 -3.762 2.385 5.572 477 HG23 ILE 84 3HG2 ILE 84 -3.654 2.406 5.707 478 HD11 ILE 84 1HD1 ILE 84 -2.403 2.024 2.858 479 HD12 ILE 84 2HD1 ILE 84 -2.398 2.114 2.729 480 HD13 ILE 84 3HD1 ILE 84 -2.569 2.008 2.716 481 H GLY 85 H GLY 85 -0.296 4.768 6.898 482 HA2 GLY 85 2HA GLY 85 0.821 7.078 5.501 483 HA3 GLY 85 1HA GLY 85 1.366 6.466 7.042 484 H PHE 86 H PHE 86 3.217 6.977 5.130 485 HA PHE 86 HA PHE 86 3.814 4.994 3.318 486 HD1 PHE 86 1HD PHE 86 5.557 5.423 1.469 487 HD2 PHE 86 2HD PHE 86 7.713 5.882 4.972 488 HE1 PHE 86 1HE PHE 86 7.479 4.390 0.406 489 HE2 PHE 86 2HE PHE 86 9.642 4.858 3.912 490 HZ PHE 86 HZ PHE 86 9.506 4.033 1.642 491 HB2 PHE 86 2HB PHE 86 4.960 7.109 3.278 492 HB3 PHE 86 1HB PHE 86 5.655 6.805 4.848 493 H ASP 87 H ASP 87 4.509 5.175 6.740 494 HA ASP 87 HA ASP 87 6.304 3.044 6.882 495 HB2 ASP 87 2HB ASP 87 5.496 4.181 8.831 496 HB3 ASP 87 1HB ASP 87 5.082 3.827 9.031 497 H ASP 88 H ASP 88 2.832 3.165 6.888 498 HA ASP 88 HA ASP 88 2.510 0.404 7.579 499 HB2 ASP 88 2HB ASP 88 0.610 2.313 6.960 500 HB3 ASP 88 1HB ASP 88 0.194 1.250 6.879 501 H PHE 89 H PHE 89 2.798 2.270 4.737 502 HA PHE 89 HA PHE 89 1.763 0.417 2.867 503 HD1 PHE 89 2HD PHE 89 0.982 1.326 0.425 504 HD2 PHE 89 1HD PHE 89 4.974 2.596 0.880 505 HE1 PHE 89 2HE PHE 89 1.384 0.908 -1.950 506 HE2 PHE 89 1HE PHE 89 5.394 2.180 -1.492 507 HZ PHE 89 HZ PHE 89 3.635 1.365 -2.924 508 HB2 PHE 89 2HB PHE 89 1.771 2.767 2.343 509 HB3 PHE 89 1HB PHE 89 3.500 2.862 2.617 510 H LEU 90 H LEU 90 4.810 1.168 4.254 511 HA LEU 90 HA LEU 90 6.558 -0.095 2.502 512 HG LEU 90 HG LEU 90 8.432 0.758 3.457 513 HB2 LEU 90 2HB LEU 90 6.764 1.389 4.705 514 HB3 LEU 90 1HB LEU 90 7.170 -0.090 5.329 515 HD11 LEU 90 1HD1 LEU 90 9.089 1.661 4.347 516 HD12 LEU 90 2HD1 LEU 90 9.367 1.358 4.145 517 HD13 LEU 90 3HD1 LEU 90 9.475 1.347 4.623 518 HD21 LEU 90 1HD2 LEU 90 9.621 -0.029 3.948 519 HD22 LEU 90 2HD2 LEU 90 9.592 -0.155 4.033 520 HD23 LEU 90 3HD2 LEU 90 9.367 -0.173 4.030 521 H ASP 91 H ASP 91 4.967 -1.261 5.422 522 HA ASP 91 HA ASP 91 6.267 -3.772 5.401 523 HB2 ASP 91 2HB ASP 91 4.745 -2.908 7.178 524 HB3 ASP 91 1HB ASP 91 4.154 -3.497 6.931 525 H ILE 92 H ILE 92 4.014 -2.571 3.400 526 HA ILE 92 HA ILE 92 2.581 -5.064 2.882 527 HB ILE 92 HB ILE 92 2.413 -2.351 1.610 528 HG12 ILE 92 2HG1 ILE 92 1.234 -3.184 3.797 529 HG13 ILE 92 1HG1 ILE 92 1.303 -2.212 3.600 530 HG21 ILE 92 1HG2 ILE 92 0.686 -3.611 0.658 531 HG22 ILE 92 2HG2 ILE 92 0.639 -4.220 1.032 532 HG23 ILE 92 3HG2 ILE 92 1.163 -4.136 0.552 533 HD11 ILE 92 1HD1 ILE 92 0.196 -2.540 3.270 534 HD12 ILE 92 2HD1 ILE 92 -0.080 -2.600 3.581 535 HD13 ILE 92 3HD1 ILE 92 -0.186 -2.785 3.319 536 H MET 93 H MET 93 4.722 -2.792 1.304 537 HA MET 93 HA MET 93 5.149 -4.423 -0.969 538 HB2 MET 93 2HB MET 93 6.796 -2.223 0.203 539 HB3 MET 93 1HB MET 93 7.100 -2.955 -1.351 540 HG2 MET 93 2HG MET 93 4.668 -2.316 -1.790 541 HG3 MET 93 1HG MET 93 4.897 -1.208 -0.514 542 HE1 MET 93 1HE MET 93 7.109 -1.882 -3.859 543 HE2 MET 93 2HE MET 93 6.748 -1.916 -3.816 544 HE3 MET 93 3HE MET 93 6.985 -2.144 -3.651 545 H THR 94 H THR 94 6.361 -4.327 2.245 546 HA THR 94 HA THR 94 8.249 -6.454 1.614 547 HB THR 94 HB THR 94 8.897 -6.349 3.959 548 HG1 THR 94 1HG THR 94 7.645 -4.903 5.120 549 HG21 THR 94 1HG2 THR 94 9.765 -4.473 2.855 550 HG22 THR 94 2HG2 THR 94 9.544 -4.058 3.411 551 HG23 THR 94 3HG2 THR 94 9.194 -4.029 2.773 552 H GLU 95 H GLU 95 5.016 -6.119 2.457 553 HA GLU 95 HA GLU 95 4.603 -8.137 4.287 554 HB2 GLU 95 2HB GLU 95 2.891 -6.512 3.683 555 HB3 GLU 95 1HB GLU 95 2.716 -7.296 2.133 556 HG2 GLU 95 2HG GLU 95 1.537 -8.591 3.446 557 HG3 GLU 95 1HG GLU 95 2.073 -8.918 3.988 558 H LYS 96 H LYS 96 4.197 -8.214 0.816 559 HA LYS 96 HA LYS 96 3.408 -10.894 0.843 560 HB2 LYS 96 2HB LYS 96 3.556 -10.630 -1.688 561 HB3 LYS 96 1HB LYS 96 2.411 -9.662 -0.823 562 HG2 LYS 96 2HG LYS 96 3.432 -8.267 -2.402 563 HG3 LYS 96 1HG LYS 96 4.078 -7.837 -0.854 564 HD2 LYS 96 2HD LYS 96 5.772 -9.466 -1.641 565 HD3 LYS 96 1HD LYS 96 5.371 -9.063 -2.944 566 HE2 LYS 96 2HE LYS 96 6.244 -7.254 -1.260 567 HE3 LYS 96 1HE LYS 96 7.155 -8.268 -2.022 568 HZ1 LYS 96 1HZ LYS 96 6.372 -7.084 -3.662 569 HZ2 LYS 96 2HZ LYS 96 6.367 -6.720 -3.339 570 HZ3 LYS 96 3HZ LYS 96 5.974 -6.953 -3.465 571 H ILE 97 H ILE 97 6.515 -9.597 0.927 572 HA ILE 97 HA ILE 97 7.624 -11.925 -0.383 573 HB ILE 97 HB ILE 97 9.857 -10.826 0.126 574 HG12 ILE 97 2HG1 ILE 97 9.463 -8.247 0.018 575 HG13 ILE 97 1HG1 ILE 97 7.995 -8.659 0.858 576 HG21 ILE 97 1HG2 ILE 97 8.990 -9.841 -1.879 577 HG22 ILE 97 2HG2 ILE 97 8.651 -10.050 -1.917 578 HG23 ILE 97 3HG2 ILE 97 9.003 -10.226 -1.985 579 HD11 ILE 97 1HD1 ILE 97 9.807 -9.154 2.291 580 HD12 ILE 97 2HD1 ILE 97 9.901 -8.863 2.257 581 HD13 ILE 97 3HD1 ILE 97 10.075 -9.093 2.144 582 H LYS 98 H LYS 98 7.516 -10.439 2.749 583 HA LYS 98 HA LYS 98 9.178 -12.395 3.893 584 HB2 LYS 98 2HB LYS 98 9.000 -10.906 5.568 585 HB3 LYS 98 1HB LYS 98 8.562 -10.264 4.710 586 HG2 LYS 98 2HG LYS 98 7.560 -10.585 6.045 587 HG3 LYS 98 1HG LYS 98 7.973 -10.490 5.890 588 HD2 LYS 98 2HD LYS 98 6.222 -10.421 6.678 589 HD3 LYS 98 1HD LYS 98 7.272 -9.780 7.239 590 HE2 LYS 98 2HE LYS 98 6.575 -8.569 5.244 591 HE3 LYS 98 1HE LYS 98 5.334 -9.244 5.692 592 HZ1 LYS 98 1HZ LYS 98 5.890 -7.457 6.793 593 HZ2 LYS 98 2HZ LYS 98 5.778 -7.713 6.938 594 HZ3 LYS 98 3HZ LYS 98 5.569 -7.491 6.805 595 H ASN 99 H ASN 99 5.814 -11.835 3.652 596 HA ASN 99 HA ASN 99 5.333 -14.401 4.835 597 HB2 ASN 99 2HB ASN 99 4.123 -12.464 5.761 598 HB3 ASN 99 1HB ASN 99 3.329 -12.340 4.257 599 HD21 ASN 99 1HD2 ASN 99 2.275 -14.042 4.465 600 HD22 ASN 99 2HD2 ASN 99 1.438 -15.026 5.276 601 H ARG 100 H ARG 100 6.186 -13.927 2.315 602 HA ARG 100 HA ARG 100 4.643 -13.932 0.221 603 HE ARG 100 HE ARG 100 8.577 -16.189 -0.557 604 HB2 ARG 100 2HB ARG 100 6.460 -14.630 -0.570 605 HB3 ARG 100 1HB ARG 100 6.937 -14.512 0.094 606 HG2 ARG 100 2HG ARG 100 7.215 -15.640 0.310 607 HG3 ARG 100 1HG ARG 100 6.648 -15.928 -0.515 608 HD2 ARG 100 2HD ARG 100 8.187 -15.500 -1.706 609 HD3 ARG 100 1HD ARG 100 8.549 -14.933 -1.239 610 HH11 ARG 100 1HH1 ARG 100 9.515 -15.404 -2.340 611 HH12 ARG 100 2HH1 ARG 100 10.496 -15.870 -2.684 612 HH21 ARG 100 1HH2 ARG 100 9.858 -16.799 -0.998 613 HH22 ARG 100 2HH2 ARG 100 10.688 -16.665 -1.921 614 H ASP 101 H ASP 101 4.743 -15.816 2.196 615 HA ASP 101 HA ASP 101 3.409 -17.900 1.013 616 HB2 ASP 101 2HB ASP 101 4.981 -18.042 1.730 617 HB3 ASP 101 1HB ASP 101 4.653 -17.656 2.800
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