NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
520531 | 2l9v | 17489 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 TRP 11 H TRP 11 -0.525 -0.851 0.000 2 HA TRP 11 HA TRP 11 1.367 1.304 0.907 3 HB2 TRP 11 1HB TRP 11 1.310 0.668 -2.015 4 HB3 TRP 11 2HB TRP 11 1.805 2.316 -1.562 5 HD1 TRP 11 HD1 TRP 11 3.215 -0.703 -2.377 6 HE1 TRP 11 HE1 TRP 11 5.675 -1.063 -1.317 7 HE3 TRP 11 HE3 TRP 11 3.009 2.906 1.197 8 HZ2 TRP 11 HZ2 TRP 11 7.130 0.108 0.720 9 HZ3 TRP 11 HZ3 TRP 11 4.895 3.270 2.665 10 HH2 TRP 11 HH2 TRP 11 6.948 1.932 2.479 11 H ASN 12 H ASN 12 1.139 3.448 1.200 12 HA ASN 12 HA ASN 12 -1.551 4.535 0.485 13 HB2 ASN 12 1HB ASN 12 0.377 5.645 2.661 14 HB3 ASN 12 2HB ASN 12 -1.152 6.152 1.903 15 HD21 ASN 12 2HD2 ASN 12 -0.197 5.170 4.664 16 HD22 ASN 12 1HD2 ASN 12 -1.413 4.023 5.118 17 H THR 13 H THR 13 1.575 4.581 -0.655 18 HA THR 13 HA THR 13 1.122 7.265 -1.919 19 HB THR 13 HB THR 13 3.792 6.053 -1.087 20 HG1 THR 13 HG1 THR 13 2.558 6.931 0.665 21 HG21 THR 13 3HG2 THR 13 3.094 8.740 -2.337 22 HG22 THR 13 1HG2 THR 13 4.714 8.228 -1.807 23 HG23 THR 13 2HG2 THR 13 3.914 7.392 -3.160 24 H LYS 14 H LYS 14 1.209 7.396 -4.027 25 HA LYS 14 HA LYS 14 1.168 5.004 -5.607 26 HB2 LYS 14 1HB LYS 14 1.526 7.913 -6.329 27 HB3 LYS 14 2HB LYS 14 1.376 6.605 -7.526 28 HG2 LYS 14 1HG LYS 14 -0.858 6.057 -6.647 29 HG3 LYS 14 2HG LYS 14 -0.709 7.368 -5.453 30 HD2 LYS 14 1HD LYS 14 -0.511 9.007 -7.290 31 HD3 LYS 14 2HD LYS 14 -0.693 7.690 -8.474 32 HE2 LYS 14 1HE LYS 14 -2.919 7.183 -7.588 33 HE3 LYS 14 2HE LYS 14 -2.739 8.470 -6.374 34 HZ1 LYS 14 3HZ LYS 14 -2.781 8.864 -9.297 35 HZ2 LYS 14 1HZ LYS 14 -4.022 9.205 -8.266 36 HZ3 LYS 14 2HZ LYS 14 -2.614 10.059 -8.172 37 H GLU 15 H GLU 15 3.728 7.378 -4.981 38 HA GLU 15 HA GLU 15 5.613 6.270 -6.853 39 HB2 GLU 15 1HB GLU 15 5.955 7.870 -4.315 40 HB3 GLU 15 2HB GLU 15 7.295 7.420 -5.398 41 HG2 GLU 15 1HG GLU 15 6.241 8.775 -7.245 42 HG3 GLU 15 2HG GLU 15 4.883 9.028 -6.125 43 H GLU 16 H GLU 16 4.995 5.625 -3.415 44 HA GLU 16 HA GLU 16 7.148 3.723 -3.120 45 HB2 GLU 16 1HB GLU 16 4.547 4.130 -1.642 46 HB3 GLU 16 2HB GLU 16 5.777 2.931 -1.175 47 HG2 GLU 16 1HG GLU 16 6.167 5.986 -1.188 48 HG3 GLU 16 2HG GLU 16 5.936 4.865 0.173 49 H ALA 17 H ALA 17 3.775 3.431 -4.143 50 HA ALA 17 HA ALA 17 3.729 0.579 -4.298 51 HB1 ALA 17 3HB ALA 17 2.251 2.636 -5.975 52 HB2 ALA 17 1HB ALA 17 1.855 0.905 -5.865 53 HB3 ALA 17 2HB ALA 17 1.696 1.946 -4.431 54 H LYS 18 H LYS 18 4.665 3.057 -6.678 55 HA LYS 18 HA LYS 18 5.258 1.236 -8.811 56 HB2 LYS 18 1HB LYS 18 6.337 3.964 -8.104 57 HB3 LYS 18 2HB LYS 18 6.765 3.085 -9.591 58 HG2 LYS 18 1HG LYS 18 4.422 3.102 -10.300 59 HG3 LYS 18 2HG LYS 18 3.958 3.928 -8.793 60 HD2 LYS 18 1HD LYS 18 5.404 5.840 -9.419 61 HD3 LYS 18 2HD LYS 18 5.799 5.019 -10.948 62 HE2 LYS 18 1HE LYS 18 3.430 5.049 -11.585 63 HE3 LYS 18 2HE LYS 18 3.022 5.852 -10.051 64 HZ1 LYS 18 3HZ LYS 18 4.750 6.971 -12.165 65 HZ2 LYS 18 1HZ LYS 18 3.193 7.423 -11.859 66 HZ3 LYS 18 2HZ LYS 18 4.372 7.715 -10.742 67 H GLN 19 H GLN 19 7.220 2.437 -6.114 68 HA GLN 19 HA GLN 19 9.675 1.200 -6.921 69 HB2 GLN 19 1HB GLN 19 9.452 2.903 -5.145 70 HB3 GLN 19 2HB GLN 19 8.594 1.711 -4.141 71 HG2 GLN 19 1HG GLN 19 11.051 1.586 -3.338 72 HG3 GLN 19 2HG GLN 19 10.427 0.296 -4.392 73 HE21 GLN 19 2HE2 GLN 19 12.501 -0.309 -5.065 74 HE22 GLN 19 1HE2 GLN 19 13.438 0.664 -6.148 75 H ALA 20 H ALA 20 6.992 0.001 -4.910 76 HA ALA 20 HA ALA 20 8.155 -2.544 -4.359 77 HB1 ALA 20 3HB ALA 20 5.229 -1.771 -4.622 78 HB2 ALA 20 1HB ALA 20 5.848 -3.261 -3.872 79 HB3 ALA 20 2HB ALA 20 6.210 -1.680 -3.139 80 H PHE 21 H PHE 21 6.200 -1.381 -7.078 81 HA PHE 21 HA PHE 21 5.905 -3.908 -8.401 82 HB2 PHE 21 1HB PHE 21 6.081 -1.103 -9.587 83 HB3 PHE 21 2HB PHE 21 5.478 -2.552 -10.422 84 HD1 PHE 21 HD1 PHE 21 4.206 -3.392 -7.541 85 HD2 PHE 21 HD2 PHE 21 3.906 -0.104 -10.253 86 HE1 PHE 21 HE1 PHE 21 1.925 -2.921 -6.715 87 HE2 PHE 21 HE2 PHE 21 1.625 0.372 -9.427 88 HZ PHE 21 HZ PHE 21 0.634 -1.038 -7.658 89 H LYS 22 H LYS 22 8.415 -1.393 -8.688 90 HA LYS 22 HA LYS 22 9.925 -2.715 -10.729 91 HB2 LYS 22 1HB LYS 22 10.721 -0.799 -8.536 92 HB3 LYS 22 2HB LYS 22 11.826 -1.363 -9.812 93 HG2 LYS 22 1HG LYS 22 10.389 -0.360 -11.525 94 HG3 LYS 22 2HG LYS 22 9.244 0.170 -10.269 95 HD2 LYS 22 1HD LYS 22 11.026 1.555 -9.252 96 HD3 LYS 22 2HD LYS 22 12.136 1.055 -10.550 97 HE2 LYS 22 1HE LYS 22 10.645 2.059 -12.222 98 HE3 LYS 22 2HE LYS 22 9.523 2.550 -10.932 99 HZ1 LYS 22 3HZ LYS 22 12.307 3.482 -11.229 100 HZ2 LYS 22 1HZ LYS 22 10.958 4.357 -11.598 101 HZ3 LYS 22 2HZ LYS 22 11.267 3.937 -10.032 102 H GLU 23 H GLU 23 10.041 -2.960 -7.191 103 HA GLU 23 HA GLU 23 12.311 -4.696 -7.045 104 HB2 GLU 23 1HB GLU 23 9.871 -4.379 -5.298 105 HB3 GLU 23 2HB GLU 23 11.233 -5.455 -4.903 106 HG2 GLU 23 1HG GLU 23 12.764 -3.490 -4.737 107 HG3 GLU 23 2HG GLU 23 11.432 -2.517 -5.401 108 H ALA 24 H ALA 24 8.832 -5.448 -7.288 109 HA ALA 24 HA ALA 24 9.216 -8.289 -7.384 110 HB1 ALA 24 3HB ALA 24 6.963 -6.585 -8.501 111 HB2 ALA 24 1HB ALA 24 6.917 -8.348 -8.271 112 HB3 ALA 24 2HB ALA 24 7.046 -7.270 -6.861 113 H LEU 25 H LEU 25 9.235 -5.771 -9.855 114 HA LEU 25 HA LEU 25 9.243 -7.521 -12.133 115 HB2 LEU 25 1HB LEU 25 9.881 -4.807 -11.440 116 HB3 LEU 25 2HB LEU 25 10.704 -5.295 -12.939 117 HG LEU 25 HG LEU 25 8.732 -5.470 -14.134 118 HD11 LEU 25 1HD1 LEU 25 6.480 -5.791 -13.075 119 HD12 LEU 25 2HD1 LEU 25 7.623 -7.054 -12.561 120 HD13 LEU 25 3HD1 LEU 25 7.240 -5.701 -11.469 121 HD21 LEU 25 3HD2 LEU 25 9.058 -3.147 -13.521 122 HD22 LEU 25 1HD2 LEU 25 7.319 -3.507 -13.632 123 HD23 LEU 25 2HD2 LEU 25 8.102 -3.374 -12.038 124 H LYS 26 H LYS 26 11.846 -6.277 -10.076 125 HA LYS 26 HA LYS 26 13.988 -7.499 -11.579 126 HB2 LYS 26 1HB LYS 26 13.716 -6.694 -8.681 127 HB3 LYS 26 2HB LYS 26 15.216 -7.321 -9.405 128 HG2 LYS 26 1HG LYS 26 15.294 -5.419 -10.943 129 HG3 LYS 26 2HG LYS 26 13.761 -4.803 -10.283 130 HD2 LYS 26 1HD LYS 26 14.837 -4.586 -8.057 131 HD3 LYS 26 2HD LYS 26 16.374 -5.130 -8.770 132 HE2 LYS 26 1HE LYS 26 16.361 -3.206 -10.290 133 HE3 LYS 26 2HE LYS 26 14.811 -2.667 -9.605 134 HZ1 LYS 26 3HZ LYS 26 17.355 -2.888 -8.127 135 HZ2 LYS 26 1HZ LYS 26 16.667 -1.482 -8.648 136 HZ3 LYS 26 2HZ LYS 26 15.917 -2.388 -7.491 137 H GLU 27 H GLU 27 11.985 -8.619 -8.866 138 HA GLU 27 HA GLU 27 13.341 -11.145 -8.557 139 HB2 GLU 27 1HB GLU 27 10.528 -10.253 -7.918 140 HB3 GLU 27 2HB GLU 27 11.203 -11.839 -7.474 141 HG2 GLU 27 1HG GLU 27 12.187 -9.115 -6.431 142 HG3 GLU 27 2HG GLU 27 11.232 -10.378 -5.622 143 H LYS 28 H LYS 28 10.894 -10.000 -10.776 144 HA LYS 28 HA LYS 28 10.455 -12.771 -11.778 145 HB2 LYS 28 1HB LYS 28 9.191 -10.141 -12.565 146 HB3 LYS 28 2HB LYS 28 8.742 -11.749 -13.180 147 HG2 LYS 28 1HG LYS 28 8.639 -11.178 -10.226 148 HG3 LYS 28 2HG LYS 28 7.319 -10.626 -11.284 149 HD2 LYS 28 1HD LYS 28 6.519 -12.705 -10.702 150 HD3 LYS 28 2HD LYS 28 7.435 -13.118 -12.171 151 HE2 LYS 28 1HE LYS 28 9.341 -13.813 -10.834 152 HE3 LYS 28 2HE LYS 28 8.518 -13.300 -9.344 153 HZ1 LYS 28 3HZ LYS 28 7.618 -15.457 -11.144 154 HZ2 LYS 28 1HZ LYS 28 8.350 -15.671 -9.682 155 HZ3 LYS 28 2HZ LYS 28 6.854 -14.982 -9.761 156 H ARG 29 H ARG 29 12.832 -10.681 -12.140 157 HA ARG 29 HA ARG 29 14.299 -10.130 -13.875 158 HB2 ARG 29 1HB ARG 29 13.523 -12.892 -14.698 159 HB3 ARG 29 2HB ARG 29 14.884 -11.949 -15.349 160 HG2 ARG 29 1HG ARG 29 15.829 -11.840 -13.034 161 HG3 ARG 29 2HG ARG 29 14.531 -12.937 -12.503 162 HD2 ARG 29 1HD ARG 29 15.369 -14.583 -14.152 163 HD3 ARG 29 2HD ARG 29 16.752 -13.501 -14.434 164 HE ARG 29 HE ARG 29 16.705 -14.172 -11.613 165 HH11 ARG 29 1HH1 ARG 29 17.247 -15.751 -14.674 166 HH12 ARG 29 2HH1 ARG 29 18.335 -16.888 -13.902 167 HH21 ARG 29 1HH2 ARG 29 17.942 -15.471 -10.713 168 HH22 ARG 29 2HH2 ARG 29 18.732 -16.730 -11.643 169 H VAL 30 H VAL 30 12.085 -8.764 -14.307 170 HA VAL 30 HA VAL 30 10.939 -9.280 -16.967 171 HB VAL 30 HB VAL 30 10.855 -6.813 -15.180 172 HG11 VAL 30 1HG1 VAL 30 8.969 -6.125 -16.623 173 HG12 VAL 30 2HG1 VAL 30 10.471 -6.283 -17.564 174 HG13 VAL 30 3HG1 VAL 30 9.230 -7.557 -17.647 175 HG21 VAL 30 3HG2 VAL 30 9.806 -8.727 -14.129 176 HG22 VAL 30 1HG2 VAL 30 8.585 -7.538 -14.638 177 HG23 VAL 30 2HG2 VAL 30 8.833 -9.021 -15.590 178 HA PRO 31 HA PRO 31 14.258 -7.836 -19.270 179 HB2 PRO 31 1HB PRO 31 12.232 -7.756 -21.100 180 HB3 PRO 31 2HB PRO 31 13.697 -8.466 -21.172 181 HG2 PRO 31 1HG PRO 31 11.526 -9.463 -20.132 182 HG3 PRO 31 2HG PRO 31 12.638 -10.267 -21.014 183 HD2 PRO 31 1HD PRO 31 10.606 -8.878 -18.748 184 HD3 PRO 31 2HD PRO 31 11.790 -9.986 -18.933 185 H SER 32 H SER 32 15.150 -5.904 -19.843 186 HA SER 32 HA SER 32 13.834 -3.469 -18.984 187 HB2 SER 32 1HB SER 32 15.632 -2.333 -19.812 188 HB3 SER 32 2HB SER 32 16.187 -3.800 -18.974 189 HG SER 32 HG SER 32 16.430 -4.763 -21.042 190 H ASN 33 H ASN 33 13.674 -5.361 -21.899 191 HA ASN 33 HA ASN 33 12.703 -3.042 -23.501 192 HB2 ASN 33 1HB ASN 33 13.305 -5.914 -24.538 193 HB3 ASN 33 2HB ASN 33 12.576 -4.429 -25.197 194 HD21 ASN 33 2HD2 ASN 33 15.129 -6.069 -25.651 195 HD22 ASN 33 1HD2 ASN 33 16.375 -4.866 -25.704 196 H ALA 34 H ALA 34 11.420 -5.142 -21.335 197 HA ALA 34 HA ALA 34 8.950 -5.747 -22.791 198 HB1 ALA 34 3HB ALA 34 9.657 -6.031 -19.851 199 HB2 ALA 34 1HB ALA 34 8.192 -6.667 -20.634 200 HB3 ALA 34 2HB ALA 34 9.792 -7.301 -21.089 201 H SER 35 H SER 35 6.946 -4.874 -22.515 202 HA SER 35 HA SER 35 6.812 -2.016 -21.859 203 HB2 SER 35 1HB SER 35 4.657 -2.072 -22.527 204 HB3 SER 35 2HB SER 35 5.605 -3.072 -23.651 205 HG SER 35 HG SER 35 3.623 -4.048 -23.048 206 H TRP 36 H TRP 36 5.262 -1.131 -20.344 207 HA TRP 36 HA TRP 36 5.485 -2.101 -17.678 208 HB2 TRP 36 1HB TRP 36 4.893 0.249 -18.250 209 HB3 TRP 36 2HB TRP 36 3.317 -0.309 -18.859 210 HD1 TRP 36 HD1 TRP 36 1.512 -0.276 -17.288 211 HE1 TRP 36 HE1 TRP 36 1.193 -0.042 -14.614 212 HE3 TRP 36 HE3 TRP 36 6.409 -0.499 -15.943 213 HZ2 TRP 36 HZ2 TRP 36 2.883 0.013 -12.429 214 HZ3 TRP 36 HZ3 TRP 36 7.035 -0.356 -13.613 215 HH2 TRP 36 HH2 TRP 36 5.352 -0.107 -11.840 216 H GLU 37 H GLU 37 2.885 -2.535 -20.067 217 HA GLU 37 HA GLU 37 1.095 -3.968 -18.367 218 HB2 GLU 37 1HB GLU 37 0.520 -3.064 -20.578 219 HB3 GLU 37 2HB GLU 37 1.580 -4.277 -21.335 220 HG2 GLU 37 1HG GLU 37 0.062 -6.105 -20.428 221 HG3 GLU 37 2HG GLU 37 -0.860 -4.780 -19.683 222 H GLN 38 H GLN 38 3.669 -5.177 -20.523 223 HA GLN 38 HA GLN 38 3.272 -7.943 -19.845 224 HB2 GLN 38 1HB GLN 38 5.668 -6.403 -20.858 225 HB3 GLN 38 2HB GLN 38 5.645 -8.170 -20.647 226 HG2 GLN 38 1HG GLN 38 3.720 -8.240 -22.513 227 HG3 GLN 38 2HG GLN 38 3.917 -6.492 -22.247 228 HE21 GLN 38 2HE2 GLN 38 4.081 -7.857 -24.763 229 HE22 GLN 38 1HE2 GLN 38 5.690 -7.645 -25.367 230 H ALA 39 H ALA 39 5.179 -5.367 -18.374 231 HA ALA 39 HA ALA 39 6.629 -7.047 -16.562 232 HB1 ALA 39 3HB ALA 39 5.784 -4.143 -16.275 233 HB2 ALA 39 1HB ALA 39 7.007 -4.973 -15.285 234 HB3 ALA 39 2HB ALA 39 7.287 -4.729 -17.026 235 H MET 40 H MET 40 3.466 -5.460 -16.354 236 HA MET 40 HA MET 40 3.022 -6.200 -13.577 237 HB2 MET 40 1HB MET 40 1.158 -5.377 -15.803 238 HB3 MET 40 2HB MET 40 0.663 -5.636 -14.113 239 HG2 MET 40 1HG MET 40 2.647 -3.564 -15.103 240 HG3 MET 40 2HG MET 40 0.966 -3.249 -14.611 241 HE1 MET 40 3HE MET 40 4.500 -2.972 -13.580 242 HE2 MET 40 1HE MET 40 4.637 -3.656 -11.943 243 HE3 MET 40 2HE MET 40 4.424 -4.735 -13.343 244 H LYS 41 H LYS 41 2.278 -7.679 -16.696 245 HA LYS 41 HA LYS 41 0.504 -9.704 -15.814 246 HB2 LYS 41 1HB LYS 41 2.598 -9.624 -17.978 247 HB3 LYS 41 2HB LYS 41 1.561 -11.044 -17.703 248 HG2 LYS 41 1HG LYS 41 -0.438 -9.672 -18.114 249 HG3 LYS 41 2HG LYS 41 0.592 -8.244 -18.375 250 HD2 LYS 41 1HD LYS 41 1.632 -9.305 -20.309 251 HD3 LYS 41 2HD LYS 41 0.699 -10.794 -20.022 252 HE2 LYS 41 1HE LYS 41 -1.393 -9.547 -20.387 253 HE3 LYS 41 2HE LYS 41 -0.453 -8.069 -20.694 254 HZ1 LYS 41 3HZ LYS 41 -0.334 -10.541 -22.300 255 HZ2 LYS 41 1HZ LYS 41 -1.104 -9.149 -22.738 256 HZ3 LYS 41 2HZ LYS 41 0.538 -9.170 -22.585 257 H MET 42 H MET 42 3.944 -9.378 -15.347 258 HA MET 42 HA MET 42 4.421 -12.176 -14.716 259 HB2 MET 42 1HB MET 42 5.944 -9.644 -14.106 260 HB3 MET 42 2HB MET 42 6.522 -11.285 -13.729 261 HG2 MET 42 1HG MET 42 5.939 -10.167 -16.489 262 HG3 MET 42 2HG MET 42 7.550 -10.439 -15.785 263 HE1 MET 42 3HE MET 42 7.372 -13.175 -14.327 264 HE2 MET 42 1HE MET 42 7.815 -14.314 -15.622 265 HE3 MET 42 2HE MET 42 8.673 -12.761 -15.470 266 H ILE 43 H ILE 43 3.310 -9.398 -12.917 267 HA ILE 43 HA ILE 43 3.479 -10.988 -10.376 268 HB ILE 43 HB ILE 43 3.055 -8.842 -9.235 269 HG12 ILE 43 1HG1 ILE 43 3.147 -7.557 -11.949 270 HG13 ILE 43 2HG1 ILE 43 1.650 -7.945 -11.070 271 HG21 ILE 43 1HG2 ILE 43 5.160 -7.678 -9.804 272 HG22 ILE 43 2HG2 ILE 43 5.399 -9.439 -9.743 273 HG23 ILE 43 3HG2 ILE 43 5.269 -8.613 -11.314 274 HD11 ILE 43 3HD1 ILE 43 3.844 -6.076 -10.108 275 HD12 ILE 43 1HD1 ILE 43 2.270 -5.580 -10.770 276 HD13 ILE 43 2HD1 ILE 43 2.347 -6.464 -9.228 277 H ILE 44 H ILE 44 1.335 -10.144 -12.824 278 HA ILE 44 HA ILE 44 -1.064 -10.345 -11.096 279 HB ILE 44 HB ILE 44 -0.669 -10.241 -14.119 280 HG12 ILE 44 1HG1 ILE 44 -2.001 -8.261 -12.298 281 HG13 ILE 44 2HG1 ILE 44 -0.279 -8.195 -12.739 282 HG21 ILE 44 1HG2 ILE 44 -3.132 -10.089 -14.261 283 HG22 ILE 44 2HG2 ILE 44 -2.626 -11.640 -13.551 284 HG23 ILE 44 3HG2 ILE 44 -3.249 -10.343 -12.504 285 HD11 ILE 44 3HD1 ILE 44 -2.618 -8.064 -14.675 286 HD12 ILE 44 1HD1 ILE 44 -1.619 -6.688 -14.155 287 HD13 ILE 44 2HD1 ILE 44 -0.896 -7.999 -15.117 288 H ASN 45 H ASN 45 0.656 -12.387 -13.430 289 HA ASN 45 HA ASN 45 -1.200 -14.609 -13.030 290 HB2 ASN 45 1HB ASN 45 1.566 -14.680 -14.457 291 HB3 ASN 45 2HB ASN 45 0.309 -15.870 -14.040 292 HD21 ASN 45 2HD2 ASN 45 1.374 -14.816 -16.626 293 HD22 ASN 45 1HD2 ASN 45 -0.028 -14.310 -17.508 294 H ASP 46 H ASP 46 1.460 -13.344 -11.294 295 HA ASP 46 HA ASP 46 1.913 -15.950 -9.908 296 HB2 ASP 46 1HB ASP 46 3.936 -14.528 -10.704 297 HB3 ASP 46 2HB ASP 46 3.231 -13.331 -9.590 298 HA PRO 47 HA PRO 47 -1.065 -14.575 -7.030 299 HB2 PRO 47 1HB PRO 47 -0.165 -16.900 -5.915 300 HB3 PRO 47 2HB PRO 47 -1.681 -16.397 -6.235 301 HG2 PRO 47 1HG PRO 47 -0.051 -17.594 -7.878 302 HG3 PRO 47 2HG PRO 47 -1.656 -17.849 -7.745 303 HD2 PRO 47 1HD PRO 47 1.494 -17.022 -8.499 304 HD3 PRO 47 2HD PRO 47 -0.039 -16.958 -9.053 305 H ARG 48 H ARG 48 2.193 -15.383 -6.477 306 HA ARG 48 HA ARG 48 2.367 -14.658 -3.707 307 HB2 ARG 48 1HB ARG 48 4.438 -14.715 -5.852 308 HB3 ARG 48 2HB ARG 48 4.758 -14.341 -4.142 309 HG2 ARG 48 1HG ARG 48 3.972 -16.549 -3.480 310 HG3 ARG 48 2HG ARG 48 3.549 -16.928 -5.167 311 HD2 ARG 48 1HD ARG 48 5.888 -16.788 -5.777 312 HD3 ARG 48 2HD ARG 48 6.303 -16.426 -4.085 313 HE ARG 48 HE ARG 48 5.040 -19.004 -4.065 314 HH11 ARG 48 1HH1 ARG 48 7.880 -17.594 -5.517 315 HH12 ARG 48 2HH1 ARG 48 8.695 -19.144 -5.443 316 HH21 ARG 48 1HH2 ARG 48 5.957 -20.788 -3.981 317 HH22 ARG 48 2HH2 ARG 48 7.599 -20.966 -4.568 318 H TYR 49 H TYR 49 2.278 -12.753 -6.628 319 HA TYR 49 HA TYR 49 2.749 -10.298 -4.962 320 HB2 TYR 49 1HB TYR 49 3.173 -10.735 -7.926 321 HB3 TYR 49 2HB TYR 49 3.394 -9.200 -7.051 322 HD1 TYR 49 HD2 TYR 49 5.142 -9.189 -5.144 323 HD2 TYR 49 HD1 TYR 49 4.979 -12.219 -8.139 324 HE1 TYR 49 HE2 TYR 49 7.482 -9.801 -4.636 325 HE2 TYR 49 HE1 TYR 49 7.324 -12.846 -7.643 326 HH TYR 49 HH TYR 49 9.231 -11.170 -5.138 327 H SER 50 H SER 50 0.253 -11.912 -5.519 328 HA SER 50 HA SER 50 -1.548 -10.564 -7.281 329 HB2 SER 50 1HB SER 50 -3.268 -11.487 -6.101 330 HB3 SER 50 2HB SER 50 -1.951 -12.671 -6.255 331 HG SER 50 HG SER 50 -2.531 -11.102 -3.963 332 H ALA 51 H ALA 51 -0.351 -9.739 -4.045 333 HA ALA 51 HA ALA 51 -2.260 -7.680 -3.476 334 HB1 ALA 51 3HB ALA 51 0.615 -7.983 -2.544 335 HB2 ALA 51 1HB ALA 51 -0.600 -6.899 -1.830 336 HB3 ALA 51 2HB ALA 51 -0.823 -8.662 -1.746 337 H LEU 52 H LEU 52 0.800 -7.692 -5.247 338 HA LEU 52 HA LEU 52 0.731 -4.785 -5.661 339 HB2 LEU 52 1HB LEU 52 2.258 -7.017 -6.830 340 HB3 LEU 52 2HB LEU 52 2.679 -5.341 -7.252 341 HG LEU 52 HG LEU 52 2.890 -6.653 -4.515 342 HD11 LEU 52 1HD1 LEU 52 5.342 -6.203 -4.804 343 HD12 LEU 52 2HD1 LEU 52 4.720 -7.252 -6.099 344 HD13 LEU 52 3HD1 LEU 52 5.011 -5.525 -6.416 345 HD21 LEU 52 3HD2 LEU 52 2.155 -4.354 -4.292 346 HD22 LEU 52 1HD2 LEU 52 3.844 -4.506 -3.752 347 HD23 LEU 52 2HD2 LEU 52 3.478 -3.798 -5.345 348 H ALA 53 H ALA 53 -0.282 -7.670 -7.388 349 HA ALA 53 HA ALA 53 -0.838 -6.428 -9.894 350 HB1 ALA 53 3HB ALA 53 -2.251 -8.744 -8.529 351 HB2 ALA 53 1HB ALA 53 -2.387 -8.311 -10.249 352 HB3 ALA 53 2HB ALA 53 -0.828 -8.863 -9.591 353 H LYS 54 H LYS 54 -2.758 -6.704 -6.922 354 HA LYS 54 HA LYS 54 -5.016 -5.225 -8.064 355 HB2 LYS 54 1HB LYS 54 -4.259 -5.941 -5.228 356 HB3 LYS 54 2HB LYS 54 -5.768 -5.126 -5.704 357 HG2 LYS 54 1HG LYS 54 -6.412 -7.087 -7.041 358 HG3 LYS 54 2HG LYS 54 -4.900 -7.903 -6.576 359 HD2 LYS 54 1HD LYS 54 -5.589 -7.767 -4.196 360 HD3 LYS 54 2HD LYS 54 -7.126 -7.028 -4.704 361 HE2 LYS 54 1HE LYS 54 -7.668 -9.037 -6.007 362 HE3 LYS 54 2HE LYS 54 -6.128 -9.776 -5.515 363 HZ1 LYS 54 3HZ LYS 54 -8.320 -9.012 -3.695 364 HZ2 LYS 54 1HZ LYS 54 -7.957 -10.551 -4.166 365 HZ3 LYS 54 2HZ LYS 54 -6.891 -9.698 -3.238 366 H LEU 55 H LEU 55 -2.192 -4.467 -6.073 367 HA LEU 55 HA LEU 55 -2.927 -1.791 -5.406 368 HB2 LEU 55 1HB LEU 55 -1.219 -3.028 -4.411 369 HB3 LEU 55 2HB LEU 55 -0.144 -3.014 -5.828 370 HG LEU 55 HG LEU 55 -0.074 -0.517 -5.680 371 HD11 LEU 55 1HD1 LEU 55 -0.829 0.543 -3.535 372 HD12 LEU 55 2HD1 LEU 55 -2.191 -0.203 -4.402 373 HD13 LEU 55 3HD1 LEU 55 -1.468 -1.029 -3.001 374 HD21 LEU 55 3HD2 LEU 55 1.730 -1.857 -4.769 375 HD22 LEU 55 1HD2 LEU 55 1.461 -0.427 -3.746 376 HD23 LEU 55 2HD2 LEU 55 0.866 -2.021 -3.222 377 H SER 56 H SER 56 -1.482 -3.154 -8.315 378 HA SER 56 HA SER 56 -0.650 -0.706 -9.601 379 HB2 SER 56 1HB SER 56 -0.436 -1.867 -11.499 380 HB3 SER 56 2HB SER 56 0.003 -2.977 -10.180 381 HG SER 56 HG SER 56 -2.096 -3.881 -10.384 382 H GLU 57 H GLU 57 -3.788 -2.162 -9.034 383 HA GLU 57 HA GLU 57 -5.079 -0.318 -10.990 384 HB2 GLU 57 1HB GLU 57 -6.214 -2.487 -9.218 385 HB3 GLU 57 2HB GLU 57 -7.134 -1.505 -10.383 386 HG2 GLU 57 1HG GLU 57 -5.779 -2.532 -12.266 387 HG3 GLU 57 2HG GLU 57 -4.886 -3.382 -10.984 388 H LYS 58 H LYS 58 -4.643 -0.832 -7.549 389 HA LYS 58 HA LYS 58 -6.610 1.157 -6.744 390 HB2 LYS 58 1HB LYS 58 -4.220 -0.031 -5.327 391 HB3 LYS 58 2HB LYS 58 -5.413 1.057 -4.577 392 HG2 LYS 58 1HG LYS 58 -7.181 -0.581 -4.925 393 HG3 LYS 58 2HG LYS 58 -6.052 -1.654 -5.788 394 HD2 LYS 58 1HD LYS 58 -4.692 -1.858 -3.737 395 HD3 LYS 58 2HD LYS 58 -5.844 -0.809 -2.878 396 HE2 LYS 58 1HE LYS 58 -7.640 -2.445 -3.320 397 HE3 LYS 58 2HE LYS 58 -6.462 -3.502 -4.132 398 HZ1 LYS 58 3HZ LYS 58 -6.366 -2.684 -1.299 399 HZ2 LYS 58 1HZ LYS 58 -6.832 -4.166 -1.854 400 HZ3 LYS 58 2HZ LYS 58 -5.272 -3.664 -2.051 401 H LYS 59 H LYS 59 -3.333 1.270 -7.875 402 HA LYS 59 HA LYS 59 -3.273 4.202 -7.226 403 HB2 LYS 59 1HB LYS 59 -0.957 2.287 -7.548 404 HB3 LYS 59 2HB LYS 59 -0.848 4.033 -7.222 405 HG2 LYS 59 1HG LYS 59 -2.166 2.029 -5.362 406 HG3 LYS 59 2HG LYS 59 -0.476 2.566 -5.211 407 HD2 LYS 59 1HD LYS 59 -1.263 4.908 -5.001 408 HD3 LYS 59 2HD LYS 59 -2.945 4.331 -5.082 409 HE2 LYS 59 1HE LYS 59 -2.515 2.935 -3.065 410 HE3 LYS 59 2HE LYS 59 -0.888 3.646 -2.960 411 HZ1 LYS 59 3HZ LYS 59 -3.425 5.140 -2.784 412 HZ2 LYS 59 1HZ LYS 59 -2.443 4.766 -1.513 413 HZ3 LYS 59 2HZ LYS 59 -1.917 5.800 -2.687 Start of MODEL 2 1 H1 TRP 11 H TRP 11 -2.984 -0.103 -0.522 2 HA TRP 11 HA TRP 11 -0.195 0.812 0.136 3 HB2 TRP 11 1HB TRP 11 -0.971 1.869 -2.615 4 HB3 TRP 11 2HB TRP 11 0.663 1.731 -1.923 5 HD1 TRP 11 HD1 TRP 11 -2.057 -0.218 -3.492 6 HE1 TRP 11 HE1 TRP 11 -1.107 -2.619 -4.291 7 HE3 TRP 11 HE3 TRP 11 2.526 0.046 -1.312 8 HZ2 TRP 11 HZ2 TRP 11 1.256 -4.011 -3.950 9 HZ3 TRP 11 HZ3 TRP 11 4.089 -1.783 -1.545 10 HH2 TRP 11 HH2 TRP 11 3.527 -3.801 -2.831 11 H ASN 12 H ASN 12 0.375 2.528 1.221 12 HA ASN 12 HA ASN 12 -1.583 4.748 1.424 13 HB2 ASN 12 1HB ASN 12 0.923 4.312 3.214 14 HB3 ASN 12 2HB ASN 12 -0.364 5.531 3.046 15 HD21 ASN 12 2HD2 ASN 12 0.469 3.545 5.180 16 HD22 ASN 12 1HD2 ASN 12 -1.007 2.748 5.613 17 H THR 13 H THR 13 1.589 4.077 0.129 18 HA THR 13 HA THR 13 1.693 6.918 -0.831 19 HB THR 13 HB THR 13 4.066 5.191 -0.010 20 HG1 THR 13 HG1 THR 13 4.240 6.796 1.664 21 HG21 THR 13 3HG2 THR 13 3.888 8.084 -0.942 22 HG22 THR 13 1HG2 THR 13 5.366 7.255 -0.402 23 HG23 THR 13 2HG2 THR 13 4.541 6.726 -1.888 24 H LYS 14 H LYS 14 1.607 7.122 -2.907 25 HA LYS 14 HA LYS 14 1.568 4.857 -4.673 26 HB2 LYS 14 1HB LYS 14 1.867 7.822 -5.165 27 HB3 LYS 14 2HB LYS 14 1.719 6.609 -6.460 28 HG2 LYS 14 1HG LYS 14 -0.493 5.955 -5.596 29 HG3 LYS 14 2HG LYS 14 -0.346 7.168 -4.302 30 HD2 LYS 14 1HD LYS 14 -0.207 8.954 -5.999 31 HD3 LYS 14 2HD LYS 14 -0.378 7.736 -7.286 32 HE2 LYS 14 1HE LYS 14 -2.582 7.113 -6.419 33 HE3 LYS 14 2HE LYS 14 -2.412 8.301 -5.107 34 HZ1 LYS 14 3HZ LYS 14 -2.498 8.929 -7.988 35 HZ2 LYS 14 1HZ LYS 14 -3.734 9.160 -6.920 36 HZ3 LYS 14 2HZ LYS 14 -2.340 10.032 -6.773 37 H GLU 15 H GLU 15 4.115 7.121 -3.755 38 HA GLU 15 HA GLU 15 6.010 6.320 -5.764 39 HB2 GLU 15 1HB GLU 15 6.340 7.461 -2.989 40 HB3 GLU 15 2HB GLU 15 7.688 7.187 -4.120 41 HG2 GLU 15 1HG GLU 15 6.671 8.849 -5.718 42 HG3 GLU 15 2HG GLU 15 5.299 8.919 -4.590 43 H GLU 16 H GLU 16 5.383 5.125 -2.475 44 HA GLU 16 HA GLU 16 7.513 3.157 -2.557 45 HB2 GLU 16 1HB GLU 16 5.008 3.406 -0.890 46 HB3 GLU 16 2HB GLU 16 6.242 2.143 -0.661 47 HG2 GLU 16 1HG GLU 16 7.939 3.934 -0.104 48 HG3 GLU 16 2HG GLU 16 6.650 5.099 -0.484 49 H ALA 17 H ALA 17 4.087 3.123 -3.422 50 HA ALA 17 HA ALA 17 3.886 0.311 -3.871 51 HB1 ALA 17 3HB ALA 17 2.419 2.599 -5.229 52 HB2 ALA 17 1HB ALA 17 1.941 0.885 -5.271 53 HB3 ALA 17 2HB ALA 17 1.923 1.777 -3.730 54 H LYS 18 H LYS 18 4.788 2.980 -6.052 55 HA LYS 18 HA LYS 18 5.144 1.298 -8.370 56 HB2 LYS 18 1HB LYS 18 6.234 4.008 -7.609 57 HB3 LYS 18 2HB LYS 18 6.530 3.226 -9.180 58 HG2 LYS 18 1HG LYS 18 4.123 3.221 -9.648 59 HG3 LYS 18 2HG LYS 18 3.803 3.960 -8.062 60 HD2 LYS 18 1HD LYS 18 5.145 5.932 -8.730 61 HD3 LYS 18 2HD LYS 18 5.399 5.198 -10.331 62 HE2 LYS 18 1HE LYS 18 2.975 5.205 -10.724 63 HE3 LYS 18 2HE LYS 18 2.714 5.928 -9.120 64 HZ1 LYS 18 3HZ LYS 18 4.199 7.176 -11.343 65 HZ2 LYS 18 1HZ LYS 18 2.676 7.584 -10.859 66 HZ3 LYS 18 2HZ LYS 18 3.958 7.848 -9.855 67 H GLN 19 H GLN 19 7.342 2.409 -5.817 68 HA GLN 19 HA GLN 19 9.729 1.282 -6.926 69 HB2 GLN 19 1HB GLN 19 9.654 2.876 -5.046 70 HB3 GLN 19 2HB GLN 19 8.913 1.615 -4.032 71 HG2 GLN 19 1HG GLN 19 11.439 1.504 -3.473 72 HG3 GLN 19 2HG GLN 19 10.734 0.253 -4.522 73 HE21 GLN 19 2HE2 GLN 19 12.814 -0.248 -5.336 74 HE22 GLN 19 1HE2 GLN 19 13.602 0.778 -6.489 75 H ALA 20 H ALA 20 7.280 -0.102 -4.746 76 HA ALA 20 HA ALA 20 8.573 -2.631 -4.440 77 HB1 ALA 20 3HB ALA 20 5.615 -1.942 -4.349 78 HB2 ALA 20 1HB ALA 20 6.352 -3.443 -3.745 79 HB3 ALA 20 2HB ALA 20 6.748 -1.888 -2.977 80 H PHE 21 H PHE 21 6.306 -1.406 -6.874 81 HA PHE 21 HA PHE 21 5.917 -3.872 -8.276 82 HB2 PHE 21 1HB PHE 21 4.565 -1.788 -8.640 83 HB3 PHE 21 2HB PHE 21 5.974 -1.055 -9.437 84 HD1 PHE 21 HD1 PHE 21 3.600 -3.901 -9.635 85 HD2 PHE 21 HD2 PHE 21 6.382 -1.388 -11.684 86 HE1 PHE 21 HE1 PHE 21 2.884 -4.872 -11.793 87 HE2 PHE 21 HE2 PHE 21 5.665 -2.354 -13.845 88 HZ PHE 21 HZ PHE 21 3.917 -4.098 -13.899 89 H LYS 22 H LYS 22 8.348 -1.301 -8.712 90 HA LYS 22 HA LYS 22 9.676 -2.567 -10.924 91 HB2 LYS 22 1HB LYS 22 10.640 -0.625 -8.822 92 HB3 LYS 22 2HB LYS 22 11.604 -1.142 -10.225 93 HG2 LYS 22 1HG LYS 22 9.934 -0.184 -11.744 94 HG3 LYS 22 2HG LYS 22 8.937 0.305 -10.354 95 HD2 LYS 22 1HD LYS 22 10.794 1.738 -9.553 96 HD3 LYS 22 2HD LYS 22 11.741 1.283 -10.990 97 HE2 LYS 22 1HE LYS 22 10.020 2.253 -12.444 98 HE3 LYS 22 2HE LYS 22 9.054 2.692 -11.016 99 HZ1 LYS 22 3HZ LYS 22 11.743 3.726 -11.648 100 HZ2 LYS 22 1HZ LYS 22 10.330 4.555 -11.832 101 HZ3 LYS 22 2HZ LYS 22 10.848 4.132 -10.324 102 H GLU 23 H GLU 23 10.096 -2.834 -7.419 103 HA GLU 23 HA GLU 23 12.437 -4.513 -7.533 104 HB2 GLU 23 1HB GLU 23 10.250 -4.160 -5.485 105 HB3 GLU 23 2HB GLU 23 11.656 -5.226 -5.250 106 HG2 GLU 23 1HG GLU 23 13.190 -3.255 -5.344 107 HG3 GLU 23 2HG GLU 23 11.771 -2.299 -5.830 108 H ALA 24 H ALA 24 8.958 -5.243 -7.445 109 HA ALA 24 HA ALA 24 9.282 -8.088 -7.403 110 HB1 ALA 24 3HB ALA 24 7.010 -6.405 -8.510 111 HB2 ALA 24 1HB ALA 24 6.941 -8.150 -8.172 112 HB3 ALA 24 2HB ALA 24 7.161 -6.993 -6.837 113 H LEU 25 H LEU 25 9.133 -5.734 -10.043 114 HA LEU 25 HA LEU 25 9.102 -7.568 -12.218 115 HB2 LEU 25 1HB LEU 25 9.805 -4.865 -11.644 116 HB3 LEU 25 2HB LEU 25 10.721 -5.427 -13.062 117 HG LEU 25 HG LEU 25 8.768 -5.773 -14.336 118 HD11 LEU 25 1HD1 LEU 25 6.463 -5.678 -13.349 119 HD12 LEU 25 2HD1 LEU 25 7.448 -6.939 -12.570 120 HD13 LEU 25 3HD1 LEU 25 7.177 -5.384 -11.747 121 HD21 LEU 25 3HD2 LEU 25 9.320 -3.423 -14.113 122 HD22 LEU 25 1HD2 LEU 25 7.556 -3.622 -14.245 123 HD23 LEU 25 2HD2 LEU 25 8.299 -3.290 -12.661 124 H LYS 26 H LYS 26 11.850 -6.248 -10.378 125 HA LYS 26 HA LYS 26 13.867 -7.712 -11.814 126 HB2 LYS 26 1HB LYS 26 13.755 -6.652 -8.989 127 HB3 LYS 26 2HB LYS 26 15.201 -7.378 -9.731 128 HG2 LYS 26 1HG LYS 26 15.234 -5.610 -11.431 129 HG3 LYS 26 2HG LYS 26 13.764 -4.893 -10.727 130 HD2 LYS 26 1HD LYS 26 14.980 -4.527 -8.602 131 HD3 LYS 26 2HD LYS 26 16.452 -5.198 -9.345 132 HE2 LYS 26 1HE LYS 26 16.433 -3.413 -11.023 133 HE3 LYS 26 2HE LYS 26 14.943 -2.750 -10.313 134 HZ1 LYS 26 3HZ LYS 26 17.550 -2.951 -8.948 135 HZ2 LYS 26 1HZ LYS 26 16.892 -1.567 -9.557 136 HZ3 LYS 26 2HZ LYS 26 16.169 -2.336 -8.289 137 H GLU 27 H GLU 27 11.878 -8.517 -8.993 138 HA GLU 27 HA GLU 27 13.180 -11.020 -8.421 139 HB2 GLU 27 1HB GLU 27 11.688 -9.824 -6.870 140 HB3 GLU 27 2HB GLU 27 10.317 -10.173 -7.951 141 HG2 GLU 27 1HG GLU 27 10.227 -11.851 -6.148 142 HG3 GLU 27 2HG GLU 27 10.805 -12.559 -7.673 143 H LYS 28 H LYS 28 10.785 -10.069 -10.782 144 HA LYS 28 HA LYS 28 10.282 -12.928 -11.467 145 HB2 LYS 28 1HB LYS 28 9.021 -10.359 -12.441 146 HB3 LYS 28 2HB LYS 28 8.574 -11.996 -12.977 147 HG2 LYS 28 1HG LYS 28 8.125 -10.686 -10.293 148 HG3 LYS 28 2HG LYS 28 6.935 -11.436 -11.382 149 HD2 LYS 28 1HD LYS 28 9.158 -12.985 -10.023 150 HD3 LYS 28 2HD LYS 28 7.541 -12.777 -9.310 151 HE2 LYS 28 1HE LYS 28 6.567 -13.765 -11.392 152 HE3 LYS 28 2HE LYS 28 8.220 -14.101 -11.952 153 HZ1 LYS 28 3HZ LYS 28 6.993 -15.177 -9.496 154 HZ2 LYS 28 1HZ LYS 28 7.234 -16.018 -10.894 155 HZ3 LYS 28 2HZ LYS 28 8.527 -15.489 -10.016 156 H ARG 29 H ARG 29 12.623 -10.817 -12.125 157 HA ARG 29 HA ARG 29 14.143 -10.593 -13.869 158 HB2 ARG 29 1HB ARG 29 13.061 -13.270 -14.630 159 HB3 ARG 29 2HB ARG 29 14.504 -12.485 -15.314 160 HG2 ARG 29 1HG ARG 29 15.518 -12.469 -13.042 161 HG3 ARG 29 2HG ARG 29 14.102 -13.363 -12.437 162 HD2 ARG 29 1HD ARG 29 14.659 -15.157 -14.053 163 HD3 ARG 29 2HD ARG 29 16.168 -14.282 -14.404 164 HE ARG 29 HE ARG 29 16.109 -14.858 -11.562 165 HH11 ARG 29 1HH1 ARG 29 16.348 -16.584 -14.583 166 HH12 ARG 29 2HH1 ARG 29 17.292 -17.834 -13.801 167 HH21 ARG 29 1HH2 ARG 29 17.183 -16.288 -10.650 168 HH22 ARG 29 2HH2 ARG 29 17.769 -17.669 -11.558 169 H VAL 30 H VAL 30 11.825 -9.163 -14.206 170 HA VAL 30 HA VAL 30 10.779 -9.560 -16.931 171 HB VAL 30 HB VAL 30 10.575 -7.193 -15.022 172 HG11 VAL 30 1HG1 VAL 30 8.716 -6.483 -16.490 173 HG12 VAL 30 2HG1 VAL 30 10.250 -6.557 -17.389 174 HG13 VAL 30 3HG1 VAL 30 9.047 -7.856 -17.572 175 HG21 VAL 30 3HG2 VAL 30 9.545 -9.182 -14.098 176 HG22 VAL 30 1HG2 VAL 30 8.309 -8.000 -14.588 177 HG23 VAL 30 2HG2 VAL 30 8.625 -9.428 -15.603 178 HA PRO 31 HA PRO 31 14.112 -7.904 -19.045 179 HB2 PRO 31 1HB PRO 31 12.135 -7.711 -20.920 180 HB3 PRO 31 2HB PRO 31 13.608 -8.404 -21.002 181 HG2 PRO 31 1HG PRO 31 11.418 -9.485 -20.092 182 HG3 PRO 31 2HG PRO 31 12.559 -10.219 -20.997 183 HD2 PRO 31 1HD PRO 31 10.457 -9.006 -18.695 184 HD3 PRO 31 2HD PRO 31 11.656 -10.089 -18.926 185 H SER 32 H SER 32 15.002 -5.930 -19.459 186 HA SER 32 HA SER 32 13.630 -3.577 -18.455 187 HB2 SER 32 1HB SER 32 15.451 -2.371 -19.112 188 HB3 SER 32 2HB SER 32 15.984 -3.897 -18.371 189 HG SER 32 HG SER 32 17.152 -3.378 -20.271 190 H ASN 33 H ASN 33 13.605 -5.238 -21.511 191 HA ASN 33 HA ASN 33 12.587 -2.813 -22.927 192 HB2 ASN 33 1HB ASN 33 13.389 -5.512 -24.247 193 HB3 ASN 33 2HB ASN 33 12.645 -3.980 -24.762 194 HD21 ASN 33 2HD2 ASN 33 15.523 -5.661 -24.142 195 HD22 ASN 33 1HD2 ASN 33 16.633 -4.354 -24.389 196 H ALA 34 H ALA 34 11.311 -5.021 -20.965 197 HA ALA 34 HA ALA 34 9.040 -5.899 -22.554 198 HB1 ALA 34 3HB ALA 34 9.453 -5.831 -19.545 199 HB2 ALA 34 1HB ALA 34 8.136 -6.673 -20.395 200 HB3 ALA 34 2HB ALA 34 9.821 -7.198 -20.624 201 H SER 35 H SER 35 6.955 -5.190 -22.571 202 HA SER 35 HA SER 35 6.512 -2.310 -22.225 203 HB2 SER 35 1HB SER 35 4.439 -2.637 -23.072 204 HB3 SER 35 2HB SER 35 5.587 -3.624 -24.006 205 HG SER 35 HG SER 35 3.657 -4.746 -23.501 206 H TRP 36 H TRP 36 4.599 -1.518 -21.027 207 HA TRP 36 HA TRP 36 4.655 -2.170 -18.242 208 HB2 TRP 36 1HB TRP 36 3.864 0.020 -19.117 209 HB3 TRP 36 2HB TRP 36 2.454 -0.789 -19.840 210 HD1 TRP 36 HD1 TRP 36 3.917 0.263 -16.602 211 HE1 TRP 36 HE1 TRP 36 1.990 0.285 -14.707 212 HE3 TRP 36 HE3 TRP 36 0.201 -1.899 -19.314 213 HZ2 TRP 36 HZ2 TRP 36 -0.647 -0.532 -14.576 214 HZ3 TRP 36 HZ3 TRP 36 -1.971 -2.269 -18.317 215 HH2 TRP 36 HH2 TRP 36 -2.451 -1.617 -15.998 216 H GLU 37 H GLU 37 2.400 -3.139 -20.821 217 HA GLU 37 HA GLU 37 0.653 -4.649 -19.111 218 HB2 GLU 37 1HB GLU 37 0.091 -3.905 -21.387 219 HB3 GLU 37 2HB GLU 37 1.306 -5.033 -22.038 220 HG2 GLU 37 1HG GLU 37 -0.053 -6.970 -21.119 221 HG3 GLU 37 2HG GLU 37 -1.135 -5.725 -20.457 222 H GLN 38 H GLN 38 3.585 -5.534 -20.899 223 HA GLN 38 HA GLN 38 3.470 -8.338 -20.291 224 HB2 GLN 38 1HB GLN 38 4.911 -7.323 -22.018 225 HB3 GLN 38 2HB GLN 38 5.866 -6.545 -20.734 226 HG2 GLN 38 1HG GLN 38 7.181 -8.700 -21.294 227 HG3 GLN 38 2HG GLN 38 6.196 -8.662 -19.812 228 HE21 GLN 38 2HE2 GLN 38 6.122 -10.938 -19.744 229 HE22 GLN 38 1HE2 GLN 38 5.123 -11.848 -20.828 230 H ALA 39 H ALA 39 5.219 -5.675 -18.676 231 HA ALA 39 HA ALA 39 6.253 -7.283 -16.563 232 HB1 ALA 39 3HB ALA 39 5.549 -4.328 -16.572 233 HB2 ALA 39 1HB ALA 39 6.572 -5.149 -15.372 234 HB3 ALA 39 2HB ALA 39 7.105 -5.038 -17.066 235 H MET 40 H MET 40 3.167 -5.604 -16.948 236 HA MET 40 HA MET 40 2.194 -5.980 -14.282 237 HB2 MET 40 1HB MET 40 1.127 -4.494 -15.844 238 HB3 MET 40 2HB MET 40 0.772 -5.850 -16.942 239 HG2 MET 40 1HG MET 40 -0.643 -6.836 -15.103 240 HG3 MET 40 2HG MET 40 -0.419 -5.316 -14.206 241 HE1 MET 40 3HE MET 40 -2.119 -7.125 -17.213 242 HE2 MET 40 1HE MET 40 -2.744 -5.773 -18.188 243 HE3 MET 40 2HE MET 40 -0.988 -6.049 -18.072 244 H LYS 41 H LYS 41 1.719 -7.999 -17.194 245 HA LYS 41 HA LYS 41 0.181 -10.009 -15.856 246 HB2 LYS 41 1HB LYS 41 1.933 -10.099 -18.313 247 HB3 LYS 41 2HB LYS 41 0.921 -11.455 -17.763 248 HG2 LYS 41 1HG LYS 41 -1.092 -10.074 -18.031 249 HG3 LYS 41 2HG LYS 41 -0.089 -8.702 -18.558 250 HD2 LYS 41 1HD LYS 41 0.695 -10.014 -20.489 251 HD3 LYS 41 2HD LYS 41 -0.307 -11.388 -19.962 252 HE2 LYS 41 1HE LYS 41 -2.329 -10.032 -20.226 253 HE3 LYS 41 2HE LYS 41 -1.342 -8.636 -20.716 254 HZ1 LYS 41 3HZ LYS 41 -1.535 -11.196 -22.171 255 HZ2 LYS 41 1HZ LYS 41 -2.263 -9.784 -22.614 256 HZ3 LYS 41 2HZ LYS 41 -0.618 -9.902 -22.626 257 H MET 42 H MET 42 3.664 -9.593 -16.263 258 HA MET 42 HA MET 42 4.470 -12.151 -15.277 259 HB2 MET 42 1HB MET 42 5.742 -9.423 -15.176 260 HB3 MET 42 2HB MET 42 6.539 -10.896 -14.573 261 HG2 MET 42 1HG MET 42 5.586 -10.460 -17.420 262 HG3 MET 42 2HG MET 42 7.263 -10.253 -16.863 263 HE1 MET 42 3HE MET 42 7.729 -12.594 -14.848 264 HE2 MET 42 1HE MET 42 8.329 -13.881 -15.920 265 HE3 MET 42 2HE MET 42 8.858 -12.199 -16.168 266 H ILE 43 H ILE 43 3.207 -9.347 -13.646 267 HA ILE 43 HA ILE 43 3.908 -10.471 -10.978 268 HB ILE 43 HB ILE 43 2.356 -7.966 -11.775 269 HG12 ILE 43 1HG1 ILE 43 4.621 -7.764 -12.429 270 HG13 ILE 43 2HG1 ILE 43 4.310 -6.751 -11.000 271 HG21 ILE 43 1HG2 ILE 43 2.592 -7.346 -9.395 272 HG22 ILE 43 2HG2 ILE 43 1.674 -8.859 -9.573 273 HG23 ILE 43 3HG2 ILE 43 3.379 -8.906 -9.065 274 HD11 ILE 43 3HD1 ILE 43 5.696 -9.455 -10.995 275 HD12 ILE 43 1HD1 ILE 43 6.496 -7.876 -10.834 276 HD13 ILE 43 2HD1 ILE 43 5.383 -8.443 -9.566 277 H ILE 44 H ILE 44 1.058 -9.907 -12.997 278 HA ILE 44 HA ILE 44 -0.887 -10.771 -11.083 279 HB ILE 44 HB ILE 44 -0.843 -10.963 -14.127 280 HG12 ILE 44 1HG1 ILE 44 -2.350 -9.086 -12.331 281 HG13 ILE 44 2HG1 ILE 44 -0.774 -8.721 -13.071 282 HG21 ILE 44 1HG2 ILE 44 -3.277 -11.355 -13.959 283 HG22 ILE 44 2HG2 ILE 44 -2.363 -12.660 -13.168 284 HG23 ILE 44 3HG2 ILE 44 -3.148 -11.402 -12.185 285 HD11 ILE 44 3HD1 ILE 44 -3.341 -9.352 -14.571 286 HD12 ILE 44 1HD1 ILE 44 -2.619 -7.738 -14.375 287 HD13 ILE 44 2HD1 ILE 44 -1.765 -8.988 -15.311 288 H ASN 45 H ASN 45 1.254 -12.614 -13.167 289 HA ASN 45 HA ASN 45 -0.198 -15.113 -12.744 290 HB2 ASN 45 1HB ASN 45 2.633 -14.741 -13.986 291 HB3 ASN 45 2HB ASN 45 1.598 -16.126 -13.562 292 HD21 ASN 45 2HD2 ASN 45 2.625 -15.066 -16.149 293 HD22 ASN 45 1HD2 ASN 45 1.220 -14.882 -17.146 294 H ASP 46 H ASP 46 1.805 -13.272 -10.782 295 HA ASP 46 HA ASP 46 2.569 -15.706 -9.197 296 HB2 ASP 46 1HB ASP 46 4.538 -14.294 -10.171 297 HB3 ASP 46 2HB ASP 46 3.786 -13.021 -9.180 298 HA PRO 47 HA PRO 47 -0.550 -13.978 -6.630 299 HB2 PRO 47 1HB PRO 47 0.228 -16.236 -5.300 300 HB3 PRO 47 2HB PRO 47 -1.260 -15.696 -5.687 301 HG2 PRO 47 1HG PRO 47 0.342 -17.088 -7.200 302 HG3 PRO 47 2HG PRO 47 -1.276 -17.263 -7.078 303 HD2 PRO 47 1HD PRO 47 1.962 -16.634 -7.783 304 HD3 PRO 47 2HD PRO 47 0.453 -16.564 -8.399 305 H ARG 48 H ARG 48 2.647 -14.871 -5.867 306 HA ARG 48 HA ARG 48 2.930 -13.989 -3.222 307 HB2 ARG 48 1HB ARG 48 4.675 -15.074 -4.438 308 HB3 ARG 48 2HB ARG 48 4.881 -13.629 -5.454 309 HG2 ARG 48 1HG ARG 48 5.559 -12.329 -3.495 310 HG3 ARG 48 2HG ARG 48 5.310 -13.750 -2.452 311 HD2 ARG 48 1HD ARG 48 7.104 -14.898 -3.503 312 HD3 ARG 48 2HD ARG 48 7.293 -13.593 -4.698 313 HE ARG 48 HE ARG 48 7.822 -12.636 -1.954 314 HH11 ARG 48 1HH1 ARG 48 9.255 -14.318 -4.650 315 HH12 ARG 48 2HH1 ARG 48 10.848 -13.795 -4.139 316 HH21 ARG 48 1HH2 ARG 48 9.639 -12.036 -1.349 317 HH22 ARG 48 2HH2 ARG 48 11.068 -12.494 -2.255 318 H TYR 49 H TYR 49 2.709 -12.043 -6.163 319 HA TYR 49 HA TYR 49 2.764 -9.594 -4.426 320 HB2 TYR 49 1HB TYR 49 3.526 -9.923 -7.336 321 HB3 TYR 49 2HB TYR 49 3.485 -8.388 -6.435 322 HD1 TYR 49 HD2 TYR 49 4.985 -8.293 -4.292 323 HD2 TYR 49 HD1 TYR 49 5.530 -11.122 -7.436 324 HE1 TYR 49 HE2 TYR 49 7.315 -8.655 -3.548 325 HE2 TYR 49 HE1 TYR 49 7.867 -11.496 -6.705 326 HH TYR 49 HH TYR 49 9.267 -9.771 -3.913 327 H SER 50 H SER 50 0.432 -11.123 -4.738 328 HA SER 50 HA SER 50 -1.394 -10.339 -6.776 329 HB2 SER 50 1HB SER 50 -3.102 -10.882 -5.350 330 HB3 SER 50 2HB SER 50 -1.782 -12.065 -5.203 331 HG SER 50 HG SER 50 -1.155 -10.969 -3.287 332 H ALA 51 H ALA 51 -0.190 -8.599 -3.931 333 HA ALA 51 HA ALA 51 -2.152 -6.509 -3.943 334 HB1 ALA 51 3HB ALA 51 0.727 -6.476 -2.973 335 HB2 ALA 51 1HB ALA 51 -0.516 -5.264 -2.584 336 HB3 ALA 51 2HB ALA 51 -0.699 -6.940 -2.014 337 H LEU 52 H LEU 52 0.973 -6.882 -5.581 338 HA LEU 52 HA LEU 52 0.842 -4.237 -6.809 339 HB2 LEU 52 1HB LEU 52 2.369 -6.709 -7.261 340 HB3 LEU 52 2HB LEU 52 2.731 -5.293 -8.275 341 HG LEU 52 HG LEU 52 2.992 -5.403 -5.246 342 HD11 LEU 52 1HD1 LEU 52 5.462 -5.351 -5.682 343 HD12 LEU 52 2HD1 LEU 52 4.712 -6.803 -6.384 344 HD13 LEU 52 3HD1 LEU 52 5.140 -5.427 -7.430 345 HD21 LEU 52 3HD2 LEU 52 2.464 -3.184 -6.070 346 HD22 LEU 52 1HD2 LEU 52 4.150 -3.235 -5.503 347 HD23 LEU 52 2HD2 LEU 52 3.795 -3.273 -7.248 348 H ALA 53 H ALA 53 -0.154 -7.493 -7.701 349 HA ALA 53 HA ALA 53 -0.843 -6.930 -10.411 350 HB1 ALA 53 3HB ALA 53 -2.142 -8.846 -8.443 351 HB2 ALA 53 1HB ALA 53 -2.359 -8.862 -10.209 352 HB3 ALA 53 2HB ALA 53 -0.762 -9.210 -9.506 353 H LYS 54 H LYS 54 -2.610 -6.442 -7.377 354 HA LYS 54 HA LYS 54 -4.980 -5.381 -8.721 355 HB2 LYS 54 1HB LYS 54 -4.001 -5.260 -5.867 356 HB3 LYS 54 2HB LYS 54 -5.553 -4.595 -6.428 357 HG2 LYS 54 1HG LYS 54 -6.284 -6.838 -7.104 358 HG3 LYS 54 2HG LYS 54 -4.723 -7.512 -6.578 359 HD2 LYS 54 1HD LYS 54 -5.187 -6.756 -4.271 360 HD3 LYS 54 2HD LYS 54 -6.763 -6.125 -4.806 361 HE2 LYS 54 1HE LYS 54 -7.439 -8.388 -5.486 362 HE3 LYS 54 2HE LYS 54 -5.866 -9.020 -4.950 363 HZ1 LYS 54 3HZ LYS 54 -7.878 -7.733 -3.218 364 HZ2 LYS 54 1HZ LYS 54 -7.571 -9.352 -3.291 365 HZ3 LYS 54 2HZ LYS 54 -6.418 -8.319 -2.719 366 H LEU 55 H LEU 55 -2.023 -4.043 -7.344 367 HA LEU 55 HA LEU 55 -2.699 -1.297 -7.389 368 HB2 LEU 55 1HB LEU 55 -0.780 -2.090 -6.451 369 HB3 LEU 55 2HB LEU 55 -0.040 -2.716 -7.943 370 HG LEU 55 HG LEU 55 -0.040 -0.331 -8.807 371 HD11 LEU 55 1HD1 LEU 55 -0.162 1.475 -7.069 372 HD12 LEU 55 2HD1 LEU 55 -1.699 0.586 -7.187 373 HD13 LEU 55 3HD1 LEU 55 -0.577 0.250 -5.848 374 HD21 LEU 55 3HD2 LEU 55 1.985 -1.409 -8.022 375 HD22 LEU 55 1HD2 LEU 55 1.990 0.307 -7.551 376 HD23 LEU 55 2HD2 LEU 55 1.615 -0.946 -6.344 377 H SER 56 H SER 56 -1.532 -3.363 -10.038 378 HA SER 56 HA SER 56 -1.302 -1.305 -12.055 379 HB2 SER 56 1HB SER 56 -1.132 -2.949 -13.587 380 HB3 SER 56 2HB SER 56 -0.282 -3.488 -12.121 381 HG SER 56 HG SER 56 -2.229 -4.689 -11.636 382 H GLU 57 H GLU 57 -4.036 -2.873 -10.568 383 HA GLU 57 HA GLU 57 -5.836 -2.268 -12.848 384 HB2 GLU 57 1HB GLU 57 -6.329 -3.504 -10.135 385 HB3 GLU 57 2HB GLU 57 -7.556 -3.282 -11.404 386 HG2 GLU 57 1HG GLU 57 -6.265 -4.873 -12.892 387 HG3 GLU 57 2HG GLU 57 -5.062 -4.918 -11.584 388 H LYS 58 H LYS 58 -4.613 -0.676 -10.145 389 HA LYS 58 HA LYS 58 -6.989 0.854 -9.444 390 HB2 LYS 58 1HB LYS 58 -4.057 1.425 -8.987 391 HB3 LYS 58 2HB LYS 58 -5.421 2.286 -8.236 392 HG2 LYS 58 1HG LYS 58 -4.764 -0.657 -7.862 393 HG3 LYS 58 2HG LYS 58 -4.388 0.639 -6.702 394 HD2 LYS 58 1HD LYS 58 -6.802 1.153 -6.519 395 HD3 LYS 58 2HD LYS 58 -7.158 -0.183 -7.640 396 HE2 LYS 58 1HE LYS 58 -6.095 -1.762 -6.054 397 HE3 LYS 58 2HE LYS 58 -5.823 -0.415 -4.923 398 HZ1 LYS 58 3HZ LYS 58 -8.456 -1.363 -5.861 399 HZ2 LYS 58 1HZ LYS 58 -7.807 -1.653 -4.372 400 HZ3 LYS 58 2HZ LYS 58 -8.205 -0.113 -4.813 401 H LYS 59 H LYS 59 -7.686 2.794 -10.063 402 HA LYS 59 HA LYS 59 -6.098 4.399 -11.972 403 HB2 LYS 59 1HB LYS 59 -7.321 2.707 -13.332 404 HB3 LYS 59 2HB LYS 59 -8.843 3.360 -12.683 405 HG2 LYS 59 1HG LYS 59 -8.403 5.520 -13.718 406 HG3 LYS 59 2HG LYS 59 -6.816 4.951 -14.289 407 HD2 LYS 59 1HD LYS 59 -7.916 3.252 -15.683 408 HD3 LYS 59 2HD LYS 59 -9.507 3.797 -15.100 409 HE2 LYS 59 1HE LYS 59 -9.133 6.004 -16.081 410 HE3 LYS 59 2HE LYS 59 -7.513 5.506 -16.622 411 HZ1 LYS 59 3HZ LYS 59 -10.062 4.324 -17.523 412 HZ2 LYS 59 1HZ LYS 59 -9.126 5.365 -18.396 413 HZ3 LYS 59 2HZ LYS 59 -8.560 3.861 -18.025 Start of MODEL 3 1 H1 TRP 11 H TRP 11 4.305 -1.937 0.653 2 HA TRP 11 HA TRP 11 3.142 -0.468 -1.699 3 HB2 TRP 11 1HB TRP 11 1.183 -2.196 -2.233 4 HB3 TRP 11 2HB TRP 11 2.862 -2.548 -2.707 5 HD1 TRP 11 HD1 TRP 11 0.780 -3.109 0.395 6 HE1 TRP 11 HE1 TRP 11 1.177 -5.642 1.248 7 HE3 TRP 11 HE3 TRP 11 4.080 -4.576 -3.181 8 HZ2 TRP 11 HZ2 TRP 11 2.696 -7.789 0.397 9 HZ3 TRP 11 HZ3 TRP 11 4.981 -6.819 -3.154 10 HH2 TRP 11 HH2 TRP 11 4.339 -8.444 -1.427 11 H ASN 12 H ASN 12 2.601 -0.122 1.270 12 HA ASN 12 HA ASN 12 -0.258 -0.019 1.622 13 HB2 ASN 12 1HB ASN 12 1.900 1.509 3.265 14 HB3 ASN 12 2HB ASN 12 0.121 1.429 3.269 15 HD21 ASN 12 2HD2 ASN 12 2.202 0.616 5.239 16 HD22 ASN 12 1HD2 ASN 12 1.840 -1.036 5.614 17 H THR 13 H THR 13 2.035 2.140 0.130 18 HA THR 13 HA THR 13 -0.233 4.030 -0.404 19 HB THR 13 HB THR 13 1.312 5.891 -0.375 20 HG1 THR 13 HG1 THR 13 3.541 5.498 0.166 21 HG21 THR 13 3HG2 THR 13 1.780 4.126 2.061 22 HG22 THR 13 1HG2 THR 13 2.032 5.885 1.988 23 HG23 THR 13 2HG2 THR 13 0.393 5.213 1.817 24 H LYS 14 H LYS 14 0.372 5.529 -2.290 25 HA LYS 14 HA LYS 14 0.585 3.881 -4.634 26 HB2 LYS 14 1HB LYS 14 0.827 6.859 -4.207 27 HB3 LYS 14 2HB LYS 14 0.846 6.080 -5.807 28 HG2 LYS 14 1HG LYS 14 -1.415 5.192 -5.403 29 HG3 LYS 14 2HG LYS 14 -1.436 5.973 -3.804 30 HD2 LYS 14 1HD LYS 14 -1.188 8.179 -4.890 31 HD3 LYS 14 2HD LYS 14 -1.204 7.386 -6.483 32 HE2 LYS 14 1HE LYS 14 -3.459 6.534 -6.052 33 HE3 LYS 14 2HE LYS 14 -3.446 7.290 -4.442 34 HZ1 LYS 14 3HZ LYS 14 -3.285 8.729 -7.012 35 HZ2 LYS 14 1HZ LYS 14 -4.619 8.637 -6.046 36 HZ3 LYS 14 2HZ LYS 14 -3.272 9.430 -5.518 37 H GLU 15 H GLU 15 2.930 5.988 -2.990 38 HA GLU 15 HA GLU 15 5.040 5.579 -4.912 39 HB2 GLU 15 1HB GLU 15 5.049 6.334 -1.989 40 HB3 GLU 15 2HB GLU 15 6.508 6.275 -3.006 41 HG2 GLU 15 1HG GLU 15 5.544 8.097 -4.466 42 HG3 GLU 15 2HG GLU 15 4.084 7.962 -3.460 43 H GLU 16 H GLU 16 4.151 3.891 -1.916 44 HA GLU 16 HA GLU 16 6.362 2.066 -1.916 45 HB2 GLU 16 1HB GLU 16 3.558 1.955 -0.827 46 HB3 GLU 16 2HB GLU 16 4.692 0.591 -0.666 47 HG2 GLU 16 1HG GLU 16 6.283 2.162 0.590 48 HG3 GLU 16 2HG GLU 16 5.015 3.384 0.349 49 H ALA 17 H ALA 17 3.180 1.924 -3.477 50 HA ALA 17 HA ALA 17 3.467 -0.774 -4.408 51 HB1 ALA 17 3HB ALA 17 1.808 1.511 -5.528 52 HB2 ALA 17 1HB ALA 17 1.621 -0.209 -5.940 53 HB3 ALA 17 2HB ALA 17 1.290 0.350 -4.283 54 H LYS 18 H LYS 18 4.264 2.368 -5.859 55 HA LYS 18 HA LYS 18 5.030 1.318 -8.428 56 HB2 LYS 18 1HB LYS 18 5.795 3.819 -6.922 57 HB3 LYS 18 2HB LYS 18 6.332 3.459 -8.580 58 HG2 LYS 18 1HG LYS 18 4.007 3.435 -9.348 59 HG3 LYS 18 2HG LYS 18 3.443 3.743 -7.688 60 HD2 LYS 18 1HD LYS 18 4.676 5.891 -7.689 61 HD3 LYS 18 2HD LYS 18 5.173 5.588 -9.371 62 HE2 LYS 18 1HE LYS 18 2.819 5.553 -10.066 63 HE3 LYS 18 2HE LYS 18 2.314 5.843 -8.385 64 HZ1 LYS 18 3HZ LYS 18 3.928 7.684 -10.031 65 HZ2 LYS 18 1HZ LYS 18 2.330 7.871 -9.670 66 HZ3 LYS 18 2HZ LYS 18 3.461 7.952 -8.472 67 H GLN 19 H GLN 19 6.911 2.050 -5.493 68 HA GLN 19 HA GLN 19 9.438 1.280 -6.670 69 HB2 GLN 19 1HB GLN 19 8.475 1.520 -3.815 70 HB3 GLN 19 2HB GLN 19 10.149 1.114 -4.263 71 HG2 GLN 19 1HG GLN 19 10.283 3.535 -5.419 72 HG3 GLN 19 2HG GLN 19 8.569 3.437 -4.951 73 HE21 GLN 19 2HE2 GLN 19 10.326 5.544 -4.230 74 HE22 GLN 19 1HE2 GLN 19 10.521 5.517 -2.508 75 H ALA 20 H ALA 20 7.104 -0.431 -4.593 76 HA ALA 20 HA ALA 20 8.629 -2.848 -4.432 77 HB1 ALA 20 3HB ALA 20 5.627 -2.424 -4.240 78 HB2 ALA 20 1HB ALA 20 6.505 -3.886 -3.732 79 HB3 ALA 20 2HB ALA 20 6.786 -2.342 -2.893 80 H PHE 21 H PHE 21 6.360 -1.613 -6.823 81 HA PHE 21 HA PHE 21 6.061 -4.055 -8.318 82 HB2 PHE 21 1HB PHE 21 4.571 -2.084 -8.617 83 HB3 PHE 21 2HB PHE 21 5.936 -1.169 -9.296 84 HD1 PHE 21 HD1 PHE 21 3.876 -4.220 -9.814 85 HD2 PHE 21 HD2 PHE 21 6.391 -1.234 -11.548 86 HE1 PHE 21 HE1 PHE 21 3.314 -5.060 -12.071 87 HE2 PHE 21 HE2 PHE 21 5.830 -2.069 -13.806 88 HZ PHE 21 HZ PHE 21 4.292 -3.984 -14.067 89 H LYS 22 H LYS 22 8.302 -1.303 -8.717 90 HA LYS 22 HA LYS 22 9.735 -2.422 -10.928 91 HB2 LYS 22 1HB LYS 22 10.560 -0.507 -8.744 92 HB3 LYS 22 2HB LYS 22 11.578 -0.924 -10.143 93 HG2 LYS 22 1HG LYS 22 9.873 -0.014 -11.663 94 HG3 LYS 22 2HG LYS 22 8.842 0.391 -10.269 95 HD2 LYS 22 1HD LYS 22 10.609 1.895 -9.414 96 HD3 LYS 22 2HD LYS 22 11.609 1.511 -10.835 97 HE2 LYS 22 1HE LYS 22 9.880 2.431 -12.311 98 HE3 LYS 22 2HE LYS 22 8.861 2.796 -10.900 99 HZ1 LYS 22 3HZ LYS 22 11.515 3.963 -11.447 100 HZ2 LYS 22 1HZ LYS 22 10.070 4.731 -11.650 101 HZ3 LYS 22 2HZ LYS 22 10.571 4.302 -10.138 102 H GLU 23 H GLU 23 10.148 -2.789 -7.429 103 HA GLU 23 HA GLU 23 12.578 -4.344 -7.611 104 HB2 GLU 23 1HB GLU 23 10.419 -4.123 -5.515 105 HB3 GLU 23 2HB GLU 23 11.881 -5.119 -5.324 106 HG2 GLU 23 1HG GLU 23 13.308 -3.062 -5.436 107 HG3 GLU 23 2HG GLU 23 11.822 -2.180 -5.851 108 H ALA 24 H ALA 24 9.136 -5.225 -7.475 109 HA ALA 24 HA ALA 24 9.587 -8.053 -7.446 110 HB1 ALA 24 3HB ALA 24 7.218 -6.469 -8.498 111 HB2 ALA 24 1HB ALA 24 7.234 -8.216 -8.163 112 HB3 ALA 24 2HB ALA 24 7.431 -7.054 -6.831 113 H LEU 25 H LEU 25 9.332 -5.694 -10.064 114 HA LEU 25 HA LEU 25 9.262 -7.477 -12.266 115 HB2 LEU 25 1HB LEU 25 10.009 -4.802 -11.648 116 HB3 LEU 25 2HB LEU 25 10.929 -5.345 -13.070 117 HG LEU 25 HG LEU 25 8.990 -5.630 -14.370 118 HD11 LEU 25 1HD1 LEU 25 6.674 -5.567 -13.404 119 HD12 LEU 25 2HD1 LEU 25 7.651 -6.854 -12.659 120 HD13 LEU 25 3HD1 LEU 25 7.373 -5.328 -11.786 121 HD21 LEU 25 3HD2 LEU 25 9.541 -3.289 -14.062 122 HD22 LEU 25 1HD2 LEU 25 7.778 -3.482 -14.220 123 HD23 LEU 25 2HD2 LEU 25 8.505 -3.205 -12.617 124 H LYS 26 H LYS 26 12.064 -6.262 -10.436 125 HA LYS 26 HA LYS 26 14.010 -7.765 -11.949 126 HB2 LYS 26 1HB LYS 26 14.019 -6.657 -9.140 127 HB3 LYS 26 2HB LYS 26 15.421 -7.432 -9.914 128 HG2 LYS 26 1HG LYS 26 15.437 -5.697 -11.651 129 HG3 LYS 26 2HG LYS 26 14.016 -4.928 -10.904 130 HD2 LYS 26 1HD LYS 26 15.321 -4.556 -8.837 131 HD3 LYS 26 2HD LYS 26 16.743 -5.289 -9.616 132 HE2 LYS 26 1HE LYS 26 16.722 -3.540 -11.330 133 HE3 LYS 26 2HE LYS 26 15.280 -2.814 -10.583 134 HZ1 LYS 26 3HZ LYS 26 17.927 -3.074 -9.306 135 HZ2 LYS 26 1HZ LYS 26 17.291 -1.681 -9.921 136 HZ3 LYS 26 2HZ LYS 26 16.591 -2.400 -8.612 137 H GLU 27 H GLU 27 12.128 -8.482 -9.029 138 HA GLU 27 HA GLU 27 13.411 -11.004 -8.483 139 HB2 GLU 27 1HB GLU 27 10.666 -9.935 -7.821 140 HB3 GLU 27 2HB GLU 27 11.317 -11.478 -7.216 141 HG2 GLU 27 1HG GLU 27 12.442 -8.685 -6.575 142 HG3 GLU 27 2HG GLU 27 11.484 -9.793 -5.568 143 H LYS 28 H LYS 28 11.025 -10.022 -10.800 144 HA LYS 28 HA LYS 28 10.360 -12.879 -11.375 145 HB2 LYS 28 1HB LYS 28 9.138 -10.279 -12.311 146 HB3 LYS 28 2HB LYS 28 8.636 -11.898 -12.857 147 HG2 LYS 28 1HG LYS 28 8.290 -10.610 -10.148 148 HG3 LYS 28 2HG LYS 28 7.057 -11.331 -11.210 149 HD2 LYS 28 1HD LYS 28 9.295 -12.959 -9.983 150 HD3 LYS 28 2HD LYS 28 7.755 -12.677 -9.138 151 HE2 LYS 28 1HE LYS 28 6.578 -13.597 -11.163 152 HE3 LYS 28 2HE LYS 28 8.172 -14.049 -11.808 153 HZ1 LYS 28 3HZ LYS 28 7.012 -15.012 -9.272 154 HZ2 LYS 28 1HZ LYS 28 7.121 -15.883 -10.669 155 HZ3 LYS 28 2HZ LYS 28 8.491 -15.432 -9.870 156 H ARG 29 H ARG 29 12.767 -10.921 -12.148 157 HA ARG 29 HA ARG 29 14.213 -10.766 -13.964 158 HB2 ARG 29 1HB ARG 29 13.005 -13.418 -14.613 159 HB3 ARG 29 2HB ARG 29 14.441 -12.702 -15.382 160 HG2 ARG 29 1HG ARG 29 15.582 -12.683 -13.188 161 HG3 ARG 29 2HG ARG 29 14.155 -13.459 -12.458 162 HD2 ARG 29 1HD ARG 29 14.499 -15.359 -14.000 163 HD3 ARG 29 2HD ARG 29 16.022 -14.595 -14.511 164 HE ARG 29 HE ARG 29 16.184 -15.007 -11.656 165 HH11 ARG 29 1HH1 ARG 29 15.968 -16.951 -14.542 166 HH12 ARG 29 2HH1 ARG 29 16.874 -18.228 -13.757 167 HH21 ARG 29 1HH2 ARG 29 17.216 -16.464 -10.739 168 HH22 ARG 29 2HH2 ARG 29 17.586 -17.953 -11.588 169 H VAL 30 H VAL 30 11.819 -9.340 -14.218 170 HA VAL 30 HA VAL 30 10.666 -9.734 -16.875 171 HB VAL 30 HB VAL 30 10.690 -7.296 -15.046 172 HG11 VAL 30 1HG1 VAL 30 8.795 -6.531 -16.438 173 HG12 VAL 30 2HG1 VAL 30 10.274 -6.717 -17.413 174 HG13 VAL 30 3HG1 VAL 30 8.994 -7.952 -17.490 175 HG21 VAL 30 3HG2 VAL 30 9.607 -9.197 -14.004 176 HG22 VAL 30 1HG2 VAL 30 8.412 -7.964 -14.468 177 HG23 VAL 30 2HG2 VAL 30 8.596 -9.438 -15.450 178 HA PRO 31 HA PRO 31 13.947 -8.349 -19.250 179 HB2 PRO 31 1HB PRO 31 11.868 -8.079 -21.000 180 HB3 PRO 31 2HB PRO 31 13.284 -8.870 -21.152 181 HG2 PRO 31 1HG PRO 31 11.093 -9.779 -20.074 182 HG3 PRO 31 2HG PRO 31 12.124 -10.611 -21.025 183 HD2 PRO 31 1HD PRO 31 10.263 -9.210 -18.633 184 HD3 PRO 31 2HD PRO 31 11.374 -10.372 -18.906 185 H SER 32 H SER 32 14.938 -6.446 -19.696 186 HA SER 32 HA SER 32 13.745 -3.993 -18.706 187 HB2 SER 32 1HB SER 32 15.620 -2.917 -19.436 188 HB3 SER 32 2HB SER 32 16.075 -4.459 -18.679 189 HG SER 32 HG SER 32 15.902 -3.951 -21.465 190 H ASN 33 H ASN 33 13.560 -5.698 -21.739 191 HA ASN 33 HA ASN 33 12.693 -3.242 -23.193 192 HB2 ASN 33 1HB ASN 33 13.228 -6.050 -24.423 193 HB3 ASN 33 2HB ASN 33 12.558 -4.500 -24.985 194 HD21 ASN 33 2HD2 ASN 33 15.065 -6.181 -25.521 195 HD22 ASN 33 1HD2 ASN 33 16.349 -5.019 -25.465 196 H ALA 34 H ALA 34 11.290 -5.326 -21.148 197 HA ALA 34 HA ALA 34 8.887 -5.979 -22.651 198 HB1 ALA 34 3HB ALA 34 9.420 -5.975 -19.661 199 HB2 ALA 34 1HB ALA 34 7.999 -6.684 -20.463 200 HB3 ALA 34 2HB ALA 34 9.618 -7.361 -20.760 201 H SER 35 H SER 35 6.894 -5.064 -22.617 202 HA SER 35 HA SER 35 6.729 -2.166 -22.243 203 HB2 SER 35 1HB SER 35 4.607 -2.292 -23.005 204 HB3 SER 35 2HB SER 35 5.606 -3.399 -23.974 205 HG SER 35 HG SER 35 3.595 -4.314 -23.373 206 H TRP 36 H TRP 36 4.865 -1.243 -21.000 207 HA TRP 36 HA TRP 36 5.023 -1.840 -18.205 208 HB2 TRP 36 1HB TRP 36 4.306 0.370 -19.094 209 HB3 TRP 36 2HB TRP 36 2.820 -0.378 -19.726 210 HD1 TRP 36 HD1 TRP 36 4.508 0.644 -16.585 211 HE1 TRP 36 HE1 TRP 36 2.682 0.818 -14.599 212 HE3 TRP 36 HE3 TRP 36 0.535 -1.325 -19.069 213 HZ2 TRP 36 HZ2 TRP 36 0.009 0.169 -14.323 214 HZ3 TRP 36 HZ3 TRP 36 -1.604 -1.542 -17.963 215 HH2 TRP 36 HH2 TRP 36 -1.926 -0.824 -15.635 216 H GLU 37 H GLU 37 2.592 -2.729 -20.651 217 HA GLU 37 HA GLU 37 0.868 -4.113 -18.806 218 HB2 GLU 37 1HB GLU 37 1.294 -4.353 -21.785 219 HB3 GLU 37 2HB GLU 37 0.047 -5.249 -20.884 220 HG2 GLU 37 1HG GLU 37 -1.046 -3.069 -20.248 221 HG3 GLU 37 2HG GLU 37 0.338 -2.278 -21.035 222 H GLN 38 H GLN 38 3.582 -5.190 -20.823 223 HA GLN 38 HA GLN 38 3.318 -7.980 -20.185 224 HB2 GLN 38 1HB GLN 38 4.650 -7.065 -22.057 225 HB3 GLN 38 2HB GLN 38 5.789 -6.377 -20.875 226 HG2 GLN 38 1HG GLN 38 6.853 -8.633 -21.576 227 HG3 GLN 38 2HG GLN 38 6.052 -8.510 -19.992 228 HE21 GLN 38 2HE2 GLN 38 5.791 -10.768 -19.882 229 HE22 GLN 38 1HE2 GLN 38 4.606 -11.596 -20.836 230 H ALA 39 H ALA 39 5.260 -5.383 -18.711 231 HA ALA 39 HA ALA 39 6.477 -7.046 -16.733 232 HB1 ALA 39 3HB ALA 39 5.834 -4.079 -16.642 233 HB2 ALA 39 1HB ALA 39 6.948 -4.935 -15.552 234 HB3 ALA 39 2HB ALA 39 7.322 -4.811 -17.287 235 H MET 40 H MET 40 3.410 -5.285 -16.795 236 HA MET 40 HA MET 40 2.724 -5.755 -14.034 237 HB2 MET 40 1HB MET 40 1.676 -4.075 -15.509 238 HB3 MET 40 2HB MET 40 0.929 -5.398 -16.435 239 HG2 MET 40 1HG MET 40 -0.691 -4.440 -14.894 240 HG3 MET 40 2HG MET 40 -0.293 -6.108 -14.419 241 HE1 MET 40 3HE MET 40 -0.043 -2.309 -13.557 242 HE2 MET 40 1HE MET 40 1.144 -2.285 -12.230 243 HE3 MET 40 2HE MET 40 1.665 -2.693 -13.883 244 H LYS 41 H LYS 41 1.990 -7.545 -17.023 245 HA LYS 41 HA LYS 41 0.356 -9.539 -15.769 246 HB2 LYS 41 1HB LYS 41 2.053 -9.548 -18.264 247 HB3 LYS 41 2HB LYS 41 1.037 -10.922 -17.765 248 HG2 LYS 41 1HG LYS 41 -0.965 -9.513 -17.906 249 HG3 LYS 41 2HG LYS 41 0.038 -8.116 -18.366 250 HD2 LYS 41 1HD LYS 41 0.774 -9.319 -20.391 251 HD3 LYS 41 2HD LYS 41 -0.251 -10.701 -19.935 252 HE2 LYS 41 1HE LYS 41 -2.243 -9.261 -20.054 253 HE3 LYS 41 2HE LYS 41 -1.218 -7.885 -20.519 254 HZ1 LYS 41 3HZ LYS 41 -1.550 -10.374 -22.068 255 HZ2 LYS 41 1HZ LYS 41 -2.238 -8.920 -22.431 256 HZ3 LYS 41 2HZ LYS 41 -0.599 -9.097 -22.499 257 H MET 42 H MET 42 3.853 -9.307 -16.248 258 HA MET 42 HA MET 42 4.522 -11.940 -15.358 259 HB2 MET 42 1HB MET 42 5.963 -9.298 -15.216 260 HB3 MET 42 2HB MET 42 6.681 -10.834 -14.673 261 HG2 MET 42 1HG MET 42 5.675 -10.287 -17.481 262 HG3 MET 42 2HG MET 42 7.375 -10.149 -16.972 263 HE1 MET 42 3HE MET 42 7.825 -12.539 -15.019 264 HE2 MET 42 1HE MET 42 8.344 -13.827 -16.134 265 HE3 MET 42 2HE MET 42 8.923 -12.159 -16.370 266 H ILE 43 H ILE 43 3.456 -9.123 -13.619 267 HA ILE 43 HA ILE 43 4.170 -10.353 -11.002 268 HB ILE 43 HB ILE 43 2.728 -7.749 -11.685 269 HG12 ILE 43 1HG1 ILE 43 4.967 -7.622 -12.416 270 HG13 ILE 43 2HG1 ILE 43 4.778 -6.665 -10.929 271 HG21 ILE 43 1HG2 ILE 43 3.079 -7.206 -9.300 272 HG22 ILE 43 2HG2 ILE 43 2.079 -8.665 -9.483 273 HG23 ILE 43 3HG2 ILE 43 3.795 -8.813 -9.038 274 HD11 ILE 43 3HD1 ILE 43 6.008 -9.438 -11.115 275 HD12 ILE 43 1HD1 ILE 43 6.901 -7.913 -10.918 276 HD13 ILE 43 2HD1 ILE 43 5.817 -8.480 -9.627 277 H ILE 44 H ILE 44 1.301 -9.585 -12.923 278 HA ILE 44 HA ILE 44 -0.645 -10.378 -10.989 279 HB ILE 44 HB ILE 44 -0.663 -10.557 -14.035 280 HG12 ILE 44 1HG1 ILE 44 -2.071 -8.623 -12.220 281 HG13 ILE 44 2HG1 ILE 44 -0.472 -8.327 -12.940 282 HG21 ILE 44 1HG2 ILE 44 -3.110 -10.833 -13.825 283 HG22 ILE 44 2HG2 ILE 44 -2.247 -12.184 -13.057 284 HG23 ILE 44 3HG2 ILE 44 -2.953 -10.894 -12.055 285 HD11 ILE 44 3HD1 ILE 44 -3.049 -8.818 -14.474 286 HD12 ILE 44 1HD1 ILE 44 -2.252 -7.244 -14.253 287 HD13 ILE 44 2HD1 ILE 44 -1.448 -8.523 -15.193 288 H ASN 45 H ASN 45 1.278 -12.325 -13.214 289 HA ASN 45 HA ASN 45 -0.215 -14.755 -12.792 290 HB2 ASN 45 1HB ASN 45 2.713 -14.494 -13.818 291 HB3 ASN 45 2HB ASN 45 1.609 -15.843 -13.457 292 HD21 ASN 45 2HD2 ASN 45 2.851 -14.867 -15.973 293 HD22 ASN 45 1HD2 ASN 45 1.529 -14.647 -17.073 294 H ASP 46 H ASP 46 2.168 -13.094 -10.901 295 HA ASP 46 HA ASP 46 2.623 -15.530 -9.236 296 HB2 ASP 46 1HB ASP 46 4.626 -14.054 -10.012 297 HB3 ASP 46 2HB ASP 46 3.779 -12.823 -9.043 298 HA PRO 47 HA PRO 47 -0.675 -14.012 -6.791 299 HB2 PRO 47 1HB PRO 47 0.145 -16.251 -5.452 300 HB3 PRO 47 2HB PRO 47 -1.345 -15.779 -5.912 301 HG2 PRO 47 1HG PRO 47 0.407 -17.059 -7.356 302 HG3 PRO 47 2HG PRO 47 -1.203 -17.318 -7.327 303 HD2 PRO 47 1HD PRO 47 2.041 -16.512 -7.827 304 HD3 PRO 47 2HD PRO 47 0.570 -16.512 -8.532 305 H ARG 48 H ARG 48 2.509 -14.767 -5.835 306 HA ARG 48 HA ARG 48 2.476 -13.885 -3.140 307 HB2 ARG 48 1HB ARG 48 4.305 -15.069 -4.318 308 HB3 ARG 48 2HB ARG 48 4.762 -13.495 -5.009 309 HG2 ARG 48 1HG ARG 48 5.253 -12.596 -2.846 310 HG3 ARG 48 2HG ARG 48 4.545 -14.013 -2.034 311 HD2 ARG 48 1HD ARG 48 6.861 -14.207 -1.855 312 HD3 ARG 48 2HD ARG 48 6.342 -15.375 -3.092 313 HE ARG 48 HE ARG 48 7.430 -12.854 -4.240 314 HH11 ARG 48 1HH1 ARG 48 8.211 -16.064 -3.121 315 HH12 ARG 48 2HH1 ARG 48 9.643 -16.073 -4.132 316 HH21 ARG 48 1HH2 ARG 48 9.070 -12.847 -5.395 317 HH22 ARG 48 2HH2 ARG 48 10.135 -14.239 -5.428 318 H TYR 49 H TYR 49 2.502 -12.045 -6.126 319 HA TYR 49 HA TYR 49 2.670 -9.529 -4.495 320 HB2 TYR 49 1HB TYR 49 3.285 -9.955 -7.426 321 HB3 TYR 49 2HB TYR 49 3.440 -8.434 -6.511 322 HD1 TYR 49 HD2 TYR 49 5.067 -8.494 -4.471 323 HD2 TYR 49 HD1 TYR 49 5.148 -11.354 -7.632 324 HE1 TYR 49 HE2 TYR 49 7.388 -9.084 -3.862 325 HE2 TYR 49 HE1 TYR 49 7.475 -11.959 -7.036 326 HH TYR 49 HH TYR 49 9.197 -10.386 -4.336 327 H SER 50 H SER 50 0.273 -11.081 -4.818 328 HA SER 50 HA SER 50 -1.558 -10.171 -6.792 329 HB2 SER 50 1HB SER 50 -3.261 -10.721 -5.363 330 HB3 SER 50 2HB SER 50 -1.972 -11.943 -5.278 331 HG SER 50 HG SER 50 -2.791 -11.372 -3.217 332 H ALA 51 H ALA 51 -0.331 -8.595 -3.851 333 HA ALA 51 HA ALA 51 -2.189 -6.423 -3.802 334 HB1 ALA 51 3HB ALA 51 0.697 -6.531 -2.857 335 HB2 ALA 51 1HB ALA 51 -0.495 -5.285 -2.420 336 HB3 ALA 51 2HB ALA 51 -0.738 -6.969 -1.900 337 H LEU 52 H LEU 52 0.823 -6.939 -5.572 338 HA LEU 52 HA LEU 52 0.801 -4.201 -6.653 339 HB2 LEU 52 1HB LEU 52 2.319 -6.661 -7.214 340 HB3 LEU 52 2HB LEU 52 2.749 -5.156 -8.058 341 HG LEU 52 HG LEU 52 2.899 -5.637 -5.057 342 HD11 LEU 52 1HD1 LEU 52 5.377 -5.459 -5.406 343 HD12 LEU 52 2HD1 LEU 52 4.690 -6.815 -6.329 344 HD13 LEU 52 3HD1 LEU 52 5.102 -5.294 -7.155 345 HD21 LEU 52 3HD2 LEU 52 2.325 -3.339 -5.574 346 HD22 LEU 52 1HD2 LEU 52 3.996 -3.426 -4.970 347 HD23 LEU 52 2HD2 LEU 52 3.689 -3.224 -6.712 348 H ALA 53 H ALA 53 -0.361 -7.358 -7.570 349 HA ALA 53 HA ALA 53 -0.747 -6.883 -10.347 350 HB1 ALA 53 3HB ALA 53 -2.422 -8.537 -8.427 351 HB2 ALA 53 1HB ALA 53 -2.471 -8.638 -10.203 352 HB3 ALA 53 2HB ALA 53 -0.993 -9.101 -9.326 353 H LYS 54 H LYS 54 -2.421 -5.665 -7.554 354 HA LYS 54 HA LYS 54 -4.903 -4.971 -8.836 355 HB2 LYS 54 1HB LYS 54 -3.461 -3.750 -6.477 356 HB3 LYS 54 2HB LYS 54 -5.124 -3.360 -6.971 357 HG2 LYS 54 1HG LYS 54 -5.822 -5.662 -6.536 358 HG3 LYS 54 2HG LYS 54 -4.151 -6.105 -6.112 359 HD2 LYS 54 1HD LYS 54 -4.207 -4.520 -4.229 360 HD3 LYS 54 2HD LYS 54 -5.876 -4.072 -4.655 361 HE2 LYS 54 1HE LYS 54 -6.590 -6.398 -4.273 362 HE3 LYS 54 2HE LYS 54 -4.924 -6.832 -3.830 363 HZ1 LYS 54 3HZ LYS 54 -6.628 -4.895 -2.401 364 HZ2 LYS 54 1HZ LYS 54 -6.282 -6.426 -1.892 365 HZ3 LYS 54 2HZ LYS 54 -5.083 -5.298 -1.988 366 H LEU 55 H LEU 55 -1.740 -3.647 -9.066 367 HA LEU 55 HA LEU 55 -2.450 -0.931 -9.700 368 HB2 LEU 55 1HB LEU 55 -0.214 -2.706 -10.416 369 HB3 LEU 55 2HB LEU 55 -0.117 -0.984 -10.850 370 HG LEU 55 HG LEU 55 -0.273 -2.136 -8.037 371 HD11 LEU 55 1HD1 LEU 55 2.046 -1.205 -7.811 372 HD12 LEU 55 2HD1 LEU 55 1.959 -2.416 -9.112 373 HD13 LEU 55 3HD1 LEU 55 1.984 -0.682 -9.511 374 HD21 LEU 55 3HD2 LEU 55 -1.463 -0.029 -8.193 375 HD22 LEU 55 1HD2 LEU 55 0.048 0.193 -7.279 376 HD23 LEU 55 2HD2 LEU 55 -0.058 0.740 -8.969 377 H SER 56 H SER 56 -2.707 -3.875 -11.472 378 HA SER 56 HA SER 56 -2.676 -2.889 -14.190 379 HB2 SER 56 1HB SER 56 -3.677 -4.819 -14.805 380 HB3 SER 56 2HB SER 56 -2.504 -5.191 -13.522 381 HG SER 56 HG SER 56 -5.313 -4.940 -13.202 382 H GLU 57 H GLU 57 -4.997 -2.656 -11.563 383 HA GLU 57 HA GLU 57 -7.058 -1.593 -13.459 384 HB2 GLU 57 1HB GLU 57 -7.259 -2.460 -10.571 385 HB3 GLU 57 2HB GLU 57 -8.590 -1.798 -11.551 386 HG2 GLU 57 1HG GLU 57 -8.418 -3.820 -13.079 387 HG3 GLU 57 2HG GLU 57 -7.055 -4.314 -12.049 388 H LYS 58 H LYS 58 -5.073 -0.787 -10.665 389 HA LYS 58 HA LYS 58 -6.296 1.803 -10.209 390 HB2 LYS 58 1HB LYS 58 -3.578 0.694 -9.497 391 HB3 LYS 58 2HB LYS 58 -4.217 2.259 -8.943 392 HG2 LYS 58 1HG LYS 58 -6.037 1.117 -7.762 393 HG3 LYS 58 2HG LYS 58 -5.439 -0.456 -8.343 394 HD2 LYS 58 1HD LYS 58 -3.325 -0.103 -7.137 395 HD3 LYS 58 2HD LYS 58 -3.910 1.477 -6.565 396 HE2 LYS 58 1HE LYS 58 -5.781 0.346 -5.412 397 HE3 LYS 58 2HE LYS 58 -5.145 -1.225 -5.950 398 HZ1 LYS 58 3HZ LYS 58 -3.738 0.685 -4.196 399 HZ2 LYS 58 1HZ LYS 58 -4.467 -0.711 -3.704 400 HZ3 LYS 58 2HZ LYS 58 -3.148 -0.774 -4.694 401 H LYS 59 H LYS 59 -3.997 0.597 -12.495 402 HA LYS 59 HA LYS 59 -3.762 3.360 -13.601 403 HB2 LYS 59 1HB LYS 59 -1.737 2.924 -12.309 404 HB3 LYS 59 2HB LYS 59 -1.486 1.408 -13.206 405 HG2 LYS 59 1HG LYS 59 -1.149 2.649 -15.276 406 HG3 LYS 59 2HG LYS 59 -1.498 4.183 -14.442 407 HD2 LYS 59 1HD LYS 59 0.462 3.803 -12.973 408 HD3 LYS 59 2HD LYS 59 0.825 2.309 -13.871 409 HE2 LYS 59 1HE LYS 59 1.071 3.631 -15.941 410 HE3 LYS 59 2HE LYS 59 0.749 5.118 -15.020 411 HZ1 LYS 59 3HZ LYS 59 3.023 3.289 -14.581 412 HZ2 LYS 59 1HZ LYS 59 3.103 4.757 -15.330 413 HZ3 LYS 59 2HZ LYS 59 2.723 4.667 -13.727 Start of MODEL 4 1 H1 TRP 11 H TRP 11 3.678 1.238 0.995 2 HA TRP 11 HA TRP 11 2.861 1.850 -1.834 3 HB2 TRP 11 1HB TRP 11 0.789 -0.092 -0.785 4 HB3 TRP 11 2HB TRP 11 1.382 0.133 -2.448 5 HD1 TRP 11 HD1 TRP 11 4.373 0.049 -0.854 6 HE1 TRP 11 HE1 TRP 11 5.448 -2.424 -0.658 7 HE3 TRP 11 HE3 TRP 11 0.154 -2.655 -1.709 8 HZ2 TRP 11 HZ2 TRP 11 4.489 -5.007 -0.860 9 HZ3 TRP 11 HZ3 TRP 11 0.240 -5.071 -1.708 10 HH2 TRP 11 HH2 TRP 11 2.336 -6.285 -1.295 11 H ASN 12 H ASN 12 2.208 3.322 0.742 12 HA ASN 12 HA ASN 12 -0.634 3.905 0.628 13 HB2 ASN 12 1HB ASN 12 1.586 5.553 2.059 14 HB3 ASN 12 2HB ASN 12 -0.167 5.731 1.805 15 HD21 ASN 12 2HD2 ASN 12 1.507 5.311 4.232 16 HD22 ASN 12 1HD2 ASN 12 0.811 3.936 5.024 17 H THR 13 H THR 13 2.199 5.165 -0.995 18 HA THR 13 HA THR 13 0.415 7.135 -2.391 19 HB THR 13 HB THR 13 2.363 8.518 -2.798 20 HG1 THR 13 HG1 THR 13 4.413 7.855 -1.920 21 HG21 THR 13 3HG2 THR 13 2.314 7.611 0.107 22 HG22 THR 13 1HG2 THR 13 2.985 9.147 -0.493 23 HG23 THR 13 2HG2 THR 13 1.238 8.828 -0.620 24 H LYS 14 H LYS 14 1.083 7.675 -4.604 25 HA LYS 14 HA LYS 14 1.219 5.327 -6.238 26 HB2 LYS 14 1HB LYS 14 1.766 8.239 -6.817 27 HB3 LYS 14 2HB LYS 14 1.760 6.964 -8.059 28 HG2 LYS 14 1HG LYS 14 -0.596 6.471 -7.544 29 HG3 LYS 14 2HG LYS 14 -0.591 7.742 -6.298 30 HD2 LYS 14 1HD LYS 14 -0.080 9.427 -8.025 31 HD3 LYS 14 2HD LYS 14 -0.102 8.154 -9.268 32 HE2 LYS 14 1HE LYS 14 -2.451 7.679 -8.758 33 HE3 LYS 14 2HE LYS 14 -2.436 8.923 -7.487 34 HZ1 LYS 14 3HZ LYS 14 -2.010 9.408 -10.366 35 HZ2 LYS 14 1HZ LYS 14 -3.390 9.750 -9.530 36 HZ3 LYS 14 2HZ LYS 14 -1.996 10.562 -9.187 37 H GLU 15 H GLU 15 3.715 7.464 -4.975 38 HA GLU 15 HA GLU 15 5.858 6.409 -6.606 39 HB2 GLU 15 1HB GLU 15 5.808 7.794 -3.924 40 HB3 GLU 15 2HB GLU 15 7.300 7.343 -4.786 41 HG2 GLU 15 1HG GLU 15 6.664 8.894 -6.670 42 HG3 GLU 15 2HG GLU 15 5.139 9.146 -5.792 43 H GLU 16 H GLU 16 4.721 5.635 -3.317 44 HA GLU 16 HA GLU 16 6.670 3.572 -2.849 45 HB2 GLU 16 1HB GLU 16 3.908 4.067 -1.737 46 HB3 GLU 16 2HB GLU 16 4.986 2.769 -1.172 47 HG2 GLU 16 1HG GLU 16 6.680 4.564 -0.493 48 HG3 GLU 16 2HG GLU 16 5.471 5.718 -1.102 49 H ALA 17 H ALA 17 3.479 3.548 -4.369 50 HA ALA 17 HA ALA 17 3.275 0.705 -4.624 51 HB1 ALA 17 3HB ALA 17 2.137 2.902 -6.387 52 HB2 ALA 17 1HB ALA 17 1.630 1.197 -6.392 53 HB3 ALA 17 2HB ALA 17 1.358 2.203 -4.948 54 H LYS 18 H LYS 18 4.647 3.189 -6.773 55 HA LYS 18 HA LYS 18 5.378 1.360 -8.876 56 HB2 LYS 18 1HB LYS 18 6.407 4.069 -8.039 57 HB3 LYS 18 2HB LYS 18 7.025 3.183 -9.454 58 HG2 LYS 18 1HG LYS 18 4.800 3.219 -10.474 59 HG3 LYS 18 2HG LYS 18 4.142 4.049 -9.045 60 HD2 LYS 18 1HD LYS 18 5.662 5.954 -9.468 61 HD3 LYS 18 2HD LYS 18 6.276 5.127 -10.919 62 HE2 LYS 18 1HE LYS 18 4.028 5.159 -11.900 63 HE3 LYS 18 2HE LYS 18 3.400 5.966 -10.445 64 HZ1 LYS 18 3HZ LYS 18 5.423 7.078 -12.282 65 HZ2 LYS 18 1HZ LYS 18 3.838 7.533 -12.211 66 HZ3 LYS 18 2HZ LYS 18 4.840 7.826 -10.932 67 H GLN 19 H GLN 19 7.005 2.409 -5.924 68 HA GLN 19 HA GLN 19 9.549 1.209 -6.526 69 HB2 GLN 19 1HB GLN 19 8.118 1.883 -3.955 70 HB3 GLN 19 2HB GLN 19 9.742 1.157 -3.992 71 HG2 GLN 19 1HG GLN 19 10.568 3.365 -5.263 72 HG3 GLN 19 2HG GLN 19 8.804 3.601 -5.218 73 HE21 GLN 19 2HE2 GLN 19 10.728 5.470 -4.276 74 HE22 GLN 19 1HE2 GLN 19 10.519 5.636 -2.564 75 H ALA 20 H ALA 20 6.686 -0.025 -4.801 76 HA ALA 20 HA ALA 20 7.778 -2.605 -4.252 77 HB1 ALA 20 3HB ALA 20 4.892 -1.782 -4.715 78 HB2 ALA 20 1HB ALA 20 5.432 -3.307 -3.978 79 HB3 ALA 20 2HB ALA 20 5.751 -1.761 -3.157 80 H PHE 21 H PHE 21 6.032 -1.322 -7.061 81 HA PHE 21 HA PHE 21 5.820 -3.788 -8.502 82 HB2 PHE 21 1HB PHE 21 6.007 -0.891 -9.420 83 HB3 PHE 21 2HB PHE 21 5.732 -2.255 -10.528 84 HD1 PHE 21 HD1 PHE 21 4.052 -3.647 -8.144 85 HD2 PHE 21 HD2 PHE 21 3.903 0.040 -10.298 86 HE1 PHE 21 HE1 PHE 21 1.620 -3.501 -7.723 87 HE2 PHE 21 HE2 PHE 21 1.472 0.189 -9.878 88 HZ PHE 21 HZ PHE 21 0.329 -1.583 -8.591 89 H LYS 22 H LYS 22 8.380 -1.309 -8.490 90 HA LYS 22 HA LYS 22 10.022 -2.590 -10.460 91 HB2 LYS 22 1HB LYS 22 10.652 -0.724 -8.175 92 HB3 LYS 22 2HB LYS 22 11.863 -1.285 -9.351 93 HG2 LYS 22 1HG LYS 22 10.602 -0.242 -11.175 94 HG3 LYS 22 2HG LYS 22 9.351 0.284 -10.023 95 HD2 LYS 22 1HD LYS 22 11.045 1.635 -8.827 96 HD3 LYS 22 2HD LYS 22 12.266 1.139 -10.023 97 HE2 LYS 22 1HE LYS 22 10.952 2.184 -11.811 98 HE3 LYS 22 2HE LYS 22 9.715 2.666 -10.629 99 HZ1 LYS 22 3HZ LYS 22 12.521 3.577 -10.642 100 HZ2 LYS 22 1HZ LYS 22 11.221 4.470 -11.125 101 HZ3 LYS 22 2HZ LYS 22 11.373 4.025 -9.544 102 H GLU 23 H GLU 23 9.885 -2.913 -6.929 103 HA GLU 23 HA GLU 23 12.124 -4.653 -6.635 104 HB2 GLU 23 1HB GLU 23 9.535 -4.378 -5.114 105 HB3 GLU 23 2HB GLU 23 10.831 -5.502 -4.636 106 HG2 GLU 23 1HG GLU 23 12.383 -3.569 -4.268 107 HG3 GLU 23 2HG GLU 23 11.112 -2.547 -4.975 108 H ALA 24 H ALA 24 8.688 -5.428 -7.203 109 HA ALA 24 HA ALA 24 9.116 -8.261 -7.351 110 HB1 ALA 24 3HB ALA 24 6.936 -6.549 -8.593 111 HB2 ALA 24 1HB ALA 24 6.897 -8.319 -8.419 112 HB3 ALA 24 2HB ALA 24 6.898 -7.283 -6.972 113 H LEU 25 H LEU 25 9.231 -5.677 -9.762 114 HA LEU 25 HA LEU 25 9.436 -7.349 -12.075 115 HB2 LEU 25 1HB LEU 25 10.017 -4.656 -11.255 116 HB3 LEU 25 2HB LEU 25 10.934 -5.096 -12.714 117 HG LEU 25 HG LEU 25 9.027 -5.269 -14.029 118 HD11 LEU 25 1HD1 LEU 25 6.715 -5.550 -13.097 119 HD12 LEU 25 2HD1 LEU 25 7.804 -6.834 -12.523 120 HD13 LEU 25 3HD1 LEU 25 7.386 -5.475 -11.452 121 HD21 LEU 25 3HD2 LEU 25 9.362 -2.953 -13.394 122 HD22 LEU 25 1HD2 LEU 25 7.624 -3.282 -13.602 123 HD23 LEU 25 2HD2 LEU 25 8.320 -3.163 -11.967 124 H LYS 26 H LYS 26 11.866 -6.208 -9.775 125 HA LYS 26 HA LYS 26 14.112 -7.351 -11.218 126 HB2 LYS 26 1HB LYS 26 13.699 -6.568 -8.331 127 HB3 LYS 26 2HB LYS 26 15.239 -7.168 -8.990 128 HG2 LYS 26 1HG LYS 26 15.356 -5.256 -10.514 129 HG3 LYS 26 2HG LYS 26 13.787 -4.666 -9.915 130 HD2 LYS 26 1HD LYS 26 14.768 -4.457 -7.642 131 HD3 LYS 26 2HD LYS 26 16.342 -4.961 -8.300 132 HE2 LYS 26 1HE LYS 26 16.345 -3.022 -9.803 133 HE3 LYS 26 2HE LYS 26 14.763 -2.520 -9.166 134 HZ1 LYS 26 3HZ LYS 26 17.258 -2.711 -7.604 135 HZ2 LYS 26 1HZ LYS 26 16.563 -1.312 -8.131 136 HZ3 LYS 26 2HZ LYS 26 15.791 -2.246 -7.011 137 H GLU 27 H GLU 27 12.011 -8.514 -8.598 138 HA GLU 27 HA GLU 27 13.405 -11.011 -8.232 139 HB2 GLU 27 1HB GLU 27 10.552 -10.176 -7.700 140 HB3 GLU 27 2HB GLU 27 11.245 -11.745 -7.224 141 HG2 GLU 27 1HG GLU 27 12.134 -8.997 -6.160 142 HG3 GLU 27 2HG GLU 27 11.172 -10.274 -5.380 143 H LYS 28 H LYS 28 11.061 -9.908 -10.567 144 HA LYS 28 HA LYS 28 10.708 -12.692 -11.578 145 HB2 LYS 28 1HB LYS 28 9.409 -10.076 -12.354 146 HB3 LYS 28 2HB LYS 28 9.059 -11.660 -13.085 147 HG2 LYS 28 1HG LYS 28 8.562 -10.846 -10.201 148 HG3 LYS 28 2HG LYS 28 7.328 -11.071 -11.463 149 HD2 LYS 28 1HD LYS 28 9.224 -13.265 -10.580 150 HD3 LYS 28 2HD LYS 28 7.627 -13.006 -9.840 151 HE2 LYS 28 1HE LYS 28 6.621 -13.205 -12.131 152 HE3 LYS 28 2HE LYS 28 8.228 -13.663 -12.738 153 HZ1 LYS 28 3HZ LYS 28 6.692 -15.121 -10.683 154 HZ2 LYS 28 1HZ LYS 28 6.879 -15.590 -12.254 155 HZ3 LYS 28 2HZ LYS 28 8.184 -15.546 -11.245 156 H ARG 29 H ARG 29 13.035 -10.515 -11.847 157 HA ARG 29 HA ARG 29 14.441 -9.765 -13.573 158 HB2 ARG 29 1HB ARG 29 14.062 -12.632 -14.309 159 HB3 ARG 29 2HB ARG 29 15.307 -11.541 -14.961 160 HG2 ARG 29 1HG ARG 29 16.180 -11.230 -12.650 161 HG3 ARG 29 2HG ARG 29 14.996 -12.431 -12.078 162 HD2 ARG 29 1HD ARG 29 16.037 -14.090 -13.548 163 HD3 ARG 29 2HD ARG 29 17.268 -12.881 -13.984 164 HE ARG 29 HE ARG 29 17.394 -13.251 -11.119 165 HH11 ARG 29 1HH1 ARG 29 17.972 -15.122 -14.002 166 HH12 ARG 29 2HH1 ARG 29 19.196 -16.054 -13.160 167 HH21 ARG 29 1HH2 ARG 29 18.785 -14.313 -10.137 168 HH22 ARG 29 2HH2 ARG 29 19.658 -15.593 -10.955 169 H VAL 30 H VAL 30 12.184 -8.636 -14.153 170 HA VAL 30 HA VAL 30 11.013 -9.404 -16.709 171 HB VAL 30 HB VAL 30 11.037 -6.726 -15.254 172 HG11 VAL 30 1HG1 VAL 30 9.102 -6.197 -16.699 173 HG12 VAL 30 2HG1 VAL 30 10.561 -6.504 -17.670 174 HG13 VAL 30 3HG1 VAL 30 9.301 -7.754 -17.537 175 HG21 VAL 30 3HG2 VAL 30 10.008 -8.468 -13.922 176 HG22 VAL 30 1HG2 VAL 30 8.782 -7.331 -14.533 177 HG23 VAL 30 2HG2 VAL 30 8.969 -8.930 -15.292 178 HA PRO 31 HA PRO 31 14.250 -8.363 -19.304 179 HB2 PRO 31 1HB PRO 31 12.160 -8.387 -21.059 180 HB3 PRO 31 2HB PRO 31 13.578 -9.187 -21.091 181 HG2 PRO 31 1HG PRO 31 11.395 -9.921 -19.872 182 HG3 PRO 31 2HG PRO 31 12.426 -10.889 -20.685 183 HD2 PRO 31 1HD PRO 31 10.581 -9.155 -18.525 184 HD3 PRO 31 2HD PRO 31 11.704 -10.334 -18.626 185 H SER 32 H SER 32 15.207 -6.553 -20.106 186 HA SER 32 HA SER 32 14.032 -3.981 -19.466 187 HB2 SER 32 1HB SER 32 15.859 -3.025 -20.442 188 HB3 SER 32 2HB SER 32 16.366 -4.427 -19.474 189 HG SER 32 HG SER 32 16.061 -4.363 -22.294 190 H ASN 33 H ASN 33 13.741 -6.138 -22.189 191 HA ASN 33 HA ASN 33 12.885 -3.984 -24.035 192 HB2 ASN 33 1HB ASN 33 13.035 -7.036 -24.629 193 HB3 ASN 33 2HB ASN 33 12.451 -5.586 -25.481 194 HD21 ASN 33 2HD2 ASN 33 14.705 -7.583 -25.878 195 HD22 ASN 33 1HD2 ASN 33 16.097 -6.590 -26.159 196 H ALA 34 H ALA 34 11.492 -5.876 -21.619 197 HA ALA 34 HA ALA 34 8.865 -6.137 -22.865 198 HB1 ALA 34 3HB ALA 34 9.735 -6.431 -19.970 199 HB2 ALA 34 1HB ALA 34 8.148 -6.887 -20.630 200 HB3 ALA 34 2HB ALA 34 9.614 -7.743 -21.167 201 H SER 35 H SER 35 7.022 -4.991 -22.499 202 HA SER 35 HA SER 35 7.326 -2.130 -21.859 203 HB2 SER 35 1HB SER 35 5.160 -1.878 -22.465 204 HB3 SER 35 2HB SER 35 5.948 -2.963 -23.634 205 HG SER 35 HG SER 35 3.868 -3.690 -23.010 206 H TRP 36 H TRP 36 5.893 -1.063 -20.322 207 HA TRP 36 HA TRP 36 6.029 -2.084 -17.662 208 HB2 TRP 36 1HB TRP 36 5.768 0.325 -18.150 209 HB3 TRP 36 2HB TRP 36 4.151 0.019 -18.826 210 HD1 TRP 36 HD1 TRP 36 2.293 0.168 -17.308 211 HE1 TRP 36 HE1 TRP 36 1.920 0.416 -14.643 212 HE3 TRP 36 HE3 TRP 36 7.103 -0.541 -15.828 213 HZ2 TRP 36 HZ2 TRP 36 3.545 0.293 -12.411 214 HZ3 TRP 36 HZ3 TRP 36 7.674 -0.474 -13.480 215 HH2 TRP 36 HH2 TRP 36 5.972 -0.071 -11.753 216 H GLU 37 H GLU 37 3.339 -2.082 -19.996 217 HA GLU 37 HA GLU 37 1.374 -3.276 -18.348 218 HB2 GLU 37 1HB GLU 37 0.960 -2.381 -20.587 219 HB3 GLU 37 2HB GLU 37 1.907 -3.714 -21.292 220 HG2 GLU 37 1HG GLU 37 0.176 -5.355 -20.413 221 HG3 GLU 37 2HG GLU 37 -0.621 -3.928 -19.710 222 H GLN 38 H GLN 38 3.879 -4.852 -20.333 223 HA GLN 38 HA GLN 38 3.072 -7.528 -19.577 224 HB2 GLN 38 1HB GLN 38 5.655 -6.386 -20.658 225 HB3 GLN 38 2HB GLN 38 5.363 -8.122 -20.395 226 HG2 GLN 38 1HG GLN 38 3.405 -7.915 -22.240 227 HG3 GLN 38 2HG GLN 38 3.949 -6.231 -22.062 228 HE21 GLN 38 2HE2 GLN 38 3.822 -7.681 -24.513 229 HE22 GLN 38 1HE2 GLN 38 5.438 -7.842 -25.118 230 H ALA 39 H ALA 39 5.482 -5.248 -18.323 231 HA ALA 39 HA ALA 39 6.688 -6.956 -16.424 232 HB1 ALA 39 3HB ALA 39 6.096 -3.984 -16.199 233 HB2 ALA 39 1HB ALA 39 7.251 -4.893 -15.198 234 HB3 ALA 39 2HB ALA 39 7.537 -4.713 -16.945 235 H MET 40 H MET 40 3.650 -5.149 -16.265 236 HA MET 40 HA MET 40 3.136 -5.864 -13.481 237 HB2 MET 40 1HB MET 40 1.373 -4.826 -15.698 238 HB3 MET 40 2HB MET 40 0.845 -5.074 -14.016 239 HG2 MET 40 1HG MET 40 3.030 -3.180 -14.938 240 HG3 MET 40 2HG MET 40 1.375 -2.712 -14.480 241 HE1 MET 40 3HE MET 40 4.911 -2.874 -13.362 242 HE2 MET 40 1HE MET 40 4.914 -3.576 -11.727 243 HE3 MET 40 2HE MET 40 4.600 -4.613 -13.141 244 H LYS 41 H LYS 41 2.102 -7.110 -16.642 245 HA LYS 41 HA LYS 41 0.267 -9.062 -15.653 246 HB2 LYS 41 1HB LYS 41 1.998 -8.932 -18.117 247 HB3 LYS 41 2HB LYS 41 0.867 -10.268 -17.798 248 HG2 LYS 41 1HG LYS 41 -1.013 -8.702 -17.783 249 HG3 LYS 41 2HG LYS 41 0.102 -7.339 -18.038 250 HD2 LYS 41 1HD LYS 41 0.751 -8.225 -20.210 251 HD3 LYS 41 2HD LYS 41 -0.251 -9.674 -19.949 252 HE2 LYS 41 1HE LYS 41 -2.267 -8.285 -19.888 253 HE3 LYS 41 2HE LYS 41 -1.278 -6.822 -20.105 254 HZ1 LYS 41 3HZ LYS 41 -1.521 -9.030 -22.046 255 HZ2 LYS 41 1HZ LYS 41 -2.248 -7.555 -22.175 256 HZ3 LYS 41 2HZ LYS 41 -0.604 -7.674 -22.248 257 H MET 42 H MET 42 3.756 -9.016 -15.761 258 HA MET 42 HA MET 42 4.067 -11.897 -15.431 259 HB2 MET 42 1HB MET 42 5.875 -9.512 -15.140 260 HB3 MET 42 2HB MET 42 6.402 -11.160 -14.722 261 HG2 MET 42 1HG MET 42 6.024 -11.899 -17.005 262 HG3 MET 42 2HG MET 42 5.376 -10.300 -17.444 263 HE1 MET 42 3HE MET 42 8.519 -12.483 -16.767 264 HE2 MET 42 1HE MET 42 9.813 -11.278 -16.552 265 HE3 MET 42 2HE MET 42 8.539 -11.448 -15.318 266 H ILE 43 H ILE 43 3.345 -9.274 -13.321 267 HA ILE 43 HA ILE 43 3.908 -11.038 -10.950 268 HB ILE 43 HB ILE 43 3.832 -8.966 -9.607 269 HG12 ILE 43 1HG1 ILE 43 3.579 -7.481 -12.206 270 HG13 ILE 43 2HG1 ILE 43 2.221 -7.839 -11.114 271 HG21 ILE 43 1HG2 ILE 43 5.899 -7.895 -10.438 272 HG22 ILE 43 2HG2 ILE 43 6.012 -9.667 -10.537 273 HG23 ILE 43 3HG2 ILE 43 5.694 -8.713 -12.005 274 HD11 ILE 43 3HD1 ILE 43 4.679 -6.196 -10.415 275 HD12 ILE 43 1HD1 ILE 43 3.060 -5.549 -10.768 276 HD13 ILE 43 2HD1 ILE 43 3.322 -6.554 -9.323 277 H ILE 44 H ILE 44 1.452 -9.721 -12.893 278 HA ILE 44 HA ILE 44 -0.638 -9.985 -10.824 279 HB ILE 44 HB ILE 44 -0.706 -9.583 -13.845 280 HG12 ILE 44 1HG1 ILE 44 -1.656 -7.776 -11.645 281 HG13 ILE 44 2HG1 ILE 44 -0.016 -7.722 -12.329 282 HG21 ILE 44 1HG2 ILE 44 -3.152 -9.328 -13.601 283 HG22 ILE 44 2HG2 ILE 44 -2.631 -10.966 -13.143 284 HG23 ILE 44 3HG2 ILE 44 -3.028 -9.776 -11.883 285 HD11 ILE 44 3HD1 ILE 44 -2.599 -7.290 -13.869 286 HD12 ILE 44 1HD1 ILE 44 -1.465 -6.017 -13.360 287 HD13 ILE 44 2HD1 ILE 44 -0.958 -7.236 -14.553 288 H ASN 45 H ASN 45 0.519 -11.899 -13.576 289 HA ASN 45 HA ASN 45 -1.376 -14.051 -13.096 290 HB2 ASN 45 1HB ASN 45 1.240 -14.166 -14.779 291 HB3 ASN 45 2HB ASN 45 -0.020 -15.329 -14.303 292 HD21 ASN 45 2HD2 ASN 45 0.826 -14.205 -16.928 293 HD22 ASN 45 1HD2 ASN 45 -0.627 -13.587 -17.640 294 H ASP 46 H ASP 46 1.586 -13.090 -11.623 295 HA ASP 46 HA ASP 46 2.036 -15.770 -10.437 296 HB2 ASP 46 1HB ASP 46 3.992 -14.207 -11.146 297 HB3 ASP 46 2HB ASP 46 3.306 -13.168 -9.874 298 HA PRO 47 HA PRO 47 -0.890 -14.811 -7.360 299 HB2 PRO 47 1HB PRO 47 0.185 -17.163 -6.472 300 HB3 PRO 47 2HB PRO 47 -1.369 -16.722 -6.676 301 HG2 PRO 47 1HG PRO 47 0.237 -17.681 -8.491 302 HG3 PRO 47 2HG PRO 47 -1.344 -18.037 -8.307 303 HD2 PRO 47 1HD PRO 47 1.767 -16.977 -9.077 304 HD3 PRO 47 2HD PRO 47 0.217 -16.964 -9.588 305 H ARG 48 H ARG 48 2.422 -15.493 -6.929 306 HA ARG 48 HA ARG 48 2.641 -14.970 -4.127 307 HB2 ARG 48 1HB ARG 48 4.633 -14.703 -6.328 308 HB3 ARG 48 2HB ARG 48 4.988 -14.438 -4.605 309 HG2 ARG 48 1HG ARG 48 4.378 -16.744 -4.097 310 HG3 ARG 48 2HG ARG 48 3.934 -17.020 -5.798 311 HD2 ARG 48 1HD ARG 48 6.238 -16.661 -6.450 312 HD3 ARG 48 2HD ARG 48 6.676 -16.401 -4.745 313 HE ARG 48 HE ARG 48 5.598 -19.062 -4.914 314 HH11 ARG 48 1HH1 ARG 48 8.306 -17.327 -6.262 315 HH12 ARG 48 2HH1 ARG 48 9.237 -18.811 -6.317 316 HH21 ARG 48 1HH2 ARG 48 6.648 -20.771 -4.979 317 HH22 ARG 48 2HH2 ARG 48 8.293 -20.776 -5.586 318 H TYR 49 H TYR 49 2.337 -12.833 -6.871 319 HA TYR 49 HA TYR 49 2.671 -10.504 -5.004 320 HB2 TYR 49 1HB TYR 49 3.089 -10.653 -7.997 321 HB3 TYR 49 2HB TYR 49 3.216 -9.188 -6.993 322 HD1 TYR 49 HD2 TYR 49 4.999 -9.176 -5.143 323 HD2 TYR 49 HD1 TYR 49 4.971 -12.033 -8.309 324 HE1 TYR 49 HE2 TYR 49 7.381 -9.670 -4.705 325 HE2 TYR 49 HE1 TYR 49 7.359 -12.540 -7.883 326 HH TYR 49 HH TYR 49 9.190 -12.081 -6.623 327 H SER 50 H SER 50 0.268 -12.126 -5.440 328 HA SER 50 HA SER 50 -1.702 -10.842 -7.073 329 HB2 SER 50 1HB SER 50 -3.299 -11.811 -5.760 330 HB3 SER 50 2HB SER 50 -1.965 -12.958 -6.026 331 HG SER 50 HG SER 50 -1.224 -12.421 -3.922 332 H ALA 51 H ALA 51 -0.208 -9.920 -4.007 333 HA ALA 51 HA ALA 51 -2.138 -7.930 -3.256 334 HB1 ALA 51 3HB ALA 51 0.829 -8.111 -2.631 335 HB2 ALA 51 1HB ALA 51 -0.344 -7.057 -1.808 336 HB3 ALA 51 2HB ALA 51 -0.489 -8.826 -1.675 337 H LEU 52 H LEU 52 0.690 -7.879 -5.369 338 HA LEU 52 HA LEU 52 0.498 -4.987 -5.817 339 HB2 LEU 52 1HB LEU 52 1.891 -7.216 -7.146 340 HB3 LEU 52 2HB LEU 52 2.206 -5.546 -7.671 341 HG LEU 52 HG LEU 52 2.853 -6.786 -4.969 342 HD11 LEU 52 1HD1 LEU 52 5.216 -6.246 -5.616 343 HD12 LEU 52 2HD1 LEU 52 4.457 -7.339 -6.795 344 HD13 LEU 52 3HD1 LEU 52 4.629 -5.608 -7.169 345 HD21 LEU 52 3HD2 LEU 52 2.066 -4.512 -4.666 346 HD22 LEU 52 1HD2 LEU 52 3.819 -4.591 -4.377 347 HD23 LEU 52 2HD2 LEU 52 3.198 -3.924 -5.906 348 H ALA 53 H ALA 53 -0.665 -7.918 -7.378 349 HA ALA 53 HA ALA 53 -1.645 -6.751 -9.768 350 HB1 ALA 53 3HB ALA 53 -2.846 -8.988 -8.099 351 HB2 ALA 53 1HB ALA 53 -3.255 -8.618 -9.790 352 HB3 ALA 53 2HB ALA 53 -1.617 -9.173 -9.373 353 H LYS 54 H LYS 54 -3.113 -6.945 -6.533 354 HA LYS 54 HA LYS 54 -5.490 -5.451 -7.335 355 HB2 LYS 54 1HB LYS 54 -4.269 -6.096 -4.649 356 HB3 LYS 54 2HB LYS 54 -5.808 -5.230 -4.873 357 HG2 LYS 54 1HG LYS 54 -6.752 -7.195 -6.013 358 HG3 LYS 54 2HG LYS 54 -5.214 -8.062 -5.795 359 HD2 LYS 54 1HD LYS 54 -5.462 -7.879 -3.349 360 HD3 LYS 54 2HD LYS 54 -7.005 -7.023 -3.572 361 HE2 LYS 54 1HE LYS 54 -7.942 -8.989 -4.704 362 HE3 LYS 54 2HE LYS 54 -6.395 -9.846 -4.505 363 HZ1 LYS 54 3HZ LYS 54 -8.128 -8.904 -2.310 364 HZ2 LYS 54 1HZ LYS 54 -7.982 -10.468 -2.814 365 HZ3 LYS 54 2HZ LYS 54 -6.695 -9.699 -2.125 366 H LEU 55 H LEU 55 -2.330 -4.655 -5.998 367 HA LEU 55 HA LEU 55 -2.923 -1.975 -5.204 368 HB2 LEU 55 1HB LEU 55 -1.044 -3.175 -4.563 369 HB3 LEU 55 2HB LEU 55 -0.291 -3.216 -6.174 370 HG LEU 55 HG LEU 55 -0.220 -0.699 -6.114 371 HD11 LEU 55 1HD1 LEU 55 -0.429 0.390 -3.863 372 HD12 LEU 55 2HD1 LEU 55 -1.959 -0.371 -4.359 373 HD13 LEU 55 3HD1 LEU 55 -0.909 -1.176 -3.168 374 HD21 LEU 55 3HD2 LEU 55 1.759 -2.024 -5.658 375 HD22 LEU 55 1HD2 LEU 55 1.743 -0.580 -4.618 376 HD23 LEU 55 2HD2 LEU 55 1.304 -2.167 -3.943 377 H SER 56 H SER 56 -2.082 -3.354 -8.339 378 HA SER 56 HA SER 56 -1.533 -0.926 -9.788 379 HB2 SER 56 1HB SER 56 -1.751 -2.101 -11.686 380 HB3 SER 56 2HB SER 56 -1.022 -3.189 -10.483 381 HG SER 56 HG SER 56 -3.058 -4.153 -10.227 382 H GLU 57 H GLU 57 -4.482 -2.285 -8.509 383 HA GLU 57 HA GLU 57 -6.122 -0.435 -10.194 384 HB2 GLU 57 1HB GLU 57 -6.922 -2.684 -8.340 385 HB3 GLU 57 2HB GLU 57 -8.035 -1.665 -9.285 386 HG2 GLU 57 1HG GLU 57 -7.016 -2.602 -11.418 387 HG3 GLU 57 2HG GLU 57 -5.928 -3.505 -10.339 388 H LYS 58 H LYS 58 -5.150 -1.131 -6.885 389 HA LYS 58 HA LYS 58 -6.997 0.731 -5.656 390 HB2 LYS 58 1HB LYS 58 -4.381 -0.474 -4.754 391 HB3 LYS 58 2HB LYS 58 -5.387 0.589 -3.742 392 HG2 LYS 58 1HG LYS 58 -7.224 -1.021 -3.832 393 HG3 LYS 58 2HG LYS 58 -6.274 -2.071 -4.910 394 HD2 LYS 58 1HD LYS 58 -4.577 -2.344 -3.137 395 HD3 LYS 58 2HD LYS 58 -5.550 -1.316 -2.058 396 HE2 LYS 58 1HE LYS 58 -7.409 -2.926 -2.210 397 HE3 LYS 58 2HE LYS 58 -6.420 -3.960 -3.267 398 HZ1 LYS 58 3HZ LYS 58 -5.780 -3.254 -0.475 399 HZ2 LYS 58 1HZ LYS 58 -6.364 -4.710 -0.986 400 HZ3 LYS 58 2HZ LYS 58 -4.863 -4.212 -1.454 401 H LYS 59 H LYS 59 -3.860 1.048 -7.165 402 HA LYS 59 HA LYS 59 -4.084 3.993 -6.892 403 HB2 LYS 59 1HB LYS 59 -2.683 2.851 -4.994 404 HB3 LYS 59 2HB LYS 59 -1.457 2.703 -6.276 405 HG2 LYS 59 1HG LYS 59 -0.849 4.840 -6.027 406 HG3 LYS 59 2HG LYS 59 -2.532 5.385 -6.233 407 HD2 LYS 59 1HD LYS 59 -2.685 4.428 -3.719 408 HD3 LYS 59 2HD LYS 59 -0.964 4.884 -3.747 409 HE2 LYS 59 1HE LYS 59 -1.427 7.137 -4.111 410 HE3 LYS 59 2HE LYS 59 -3.056 6.801 -4.741 411 HZ1 LYS 59 3HZ LYS 59 -2.215 6.514 -1.929 412 HZ2 LYS 59 1HZ LYS 59 -3.134 7.742 -2.534 413 HZ3 LYS 59 2HZ LYS 59 -3.725 6.202 -2.513 Start of MODEL 5 1 H1 TRP 11 H TRP 11 0.491 -0.760 1.000 2 HA TRP 11 HA TRP 11 2.892 0.975 0.476 3 HB2 TRP 11 1HB TRP 11 1.303 2.287 -1.527 4 HB3 TRP 11 2HB TRP 11 2.695 1.201 -1.757 5 HD1 TRP 11 HD1 TRP 11 -0.931 1.432 -2.055 6 HE1 TRP 11 HE1 TRP 11 -1.926 -0.824 -3.165 7 HE3 TRP 11 HE3 TRP 11 3.265 -1.425 -1.797 8 HZ2 TRP 11 HZ2 TRP 11 -0.924 -3.329 -3.761 9 HZ3 TRP 11 HZ3 TRP 11 3.239 -3.698 -2.618 10 HH2 TRP 11 HH2 TRP 11 1.216 -4.690 -3.597 11 H ASN 12 H ASN 12 3.341 2.731 1.530 12 HA ASN 12 HA ASN 12 1.279 4.255 2.885 13 HB2 ASN 12 1HB ASN 12 4.307 4.943 2.656 14 HB3 ASN 12 2HB ASN 12 2.875 5.724 3.370 15 HD21 ASN 12 2HD2 ASN 12 5.375 4.567 4.523 16 HD22 ASN 12 1HD2 ASN 12 4.831 3.465 5.744 17 H THR 13 H THR 13 3.344 4.900 0.058 18 HA THR 13 HA THR 13 1.350 6.981 -0.749 19 HB THR 13 HB THR 13 3.125 8.432 -1.561 20 HG1 THR 13 HG1 THR 13 5.332 7.848 -1.110 21 HG21 THR 13 3HG2 THR 13 3.689 7.544 1.296 22 HG22 THR 13 1HG2 THR 13 4.172 9.097 0.574 23 HG23 THR 13 2HG2 THR 13 2.448 8.715 0.798 24 H LYS 14 H LYS 14 1.768 7.661 -3.084 25 HA LYS 14 HA LYS 14 1.479 5.370 -4.782 26 HB2 LYS 14 1HB LYS 14 2.161 8.254 -5.359 27 HB3 LYS 14 2HB LYS 14 1.873 7.031 -6.619 28 HG2 LYS 14 1HG LYS 14 -0.414 6.694 -5.772 29 HG3 LYS 14 2HG LYS 14 -0.127 7.915 -4.510 30 HD2 LYS 14 1HD LYS 14 0.257 9.619 -6.250 31 HD3 LYS 14 2HD LYS 14 -0.046 8.398 -7.507 32 HE2 LYS 14 1HE LYS 14 -2.324 8.078 -6.668 33 HE3 LYS 14 2HE LYS 14 -2.027 9.271 -5.382 34 HZ1 LYS 14 3HZ LYS 14 -1.989 9.827 -8.279 35 HZ2 LYS 14 1HZ LYS 14 -3.201 10.239 -7.239 36 HZ3 LYS 14 2HZ LYS 14 -1.713 10.934 -7.088 37 H GLU 15 H GLU 15 4.289 7.279 -3.852 38 HA GLU 15 HA GLU 15 6.076 6.094 -5.804 39 HB2 GLU 15 1HB GLU 15 6.563 7.451 -3.150 40 HB3 GLU 15 2HB GLU 15 7.846 6.937 -4.272 41 HG2 GLU 15 1HG GLU 15 5.731 9.108 -4.815 42 HG3 GLU 15 2HG GLU 15 7.474 9.245 -4.487 43 H GLU 16 H GLU 16 5.030 5.200 -2.565 44 HA GLU 16 HA GLU 16 6.940 3.053 -2.226 45 HB2 GLU 16 1HB GLU 16 4.195 3.550 -1.068 46 HB3 GLU 16 2HB GLU 16 5.263 2.210 -0.583 47 HG2 GLU 16 1HG GLU 16 5.855 5.206 -0.189 48 HG3 GLU 16 2HG GLU 16 5.363 3.968 0.990 49 H ALA 17 H ALA 17 3.685 3.228 -3.627 50 HA ALA 17 HA ALA 17 3.480 0.431 -4.212 51 HB1 ALA 17 3HB ALA 17 2.250 2.815 -5.636 52 HB2 ALA 17 1HB ALA 17 1.752 1.118 -5.830 53 HB3 ALA 17 2HB ALA 17 1.541 1.934 -4.263 54 H LYS 18 H LYS 18 4.856 3.163 -6.008 55 HA LYS 18 HA LYS 18 5.509 1.689 -8.387 56 HB2 LYS 18 1HB LYS 18 6.743 4.118 -7.089 57 HB3 LYS 18 2HB LYS 18 7.247 3.473 -8.669 58 HG2 LYS 18 1HG LYS 18 5.014 3.878 -9.576 59 HG3 LYS 18 2HG LYS 18 4.455 4.456 -7.988 60 HD2 LYS 18 1HD LYS 18 6.172 6.268 -8.100 61 HD3 LYS 18 2HD LYS 18 6.581 5.727 -9.746 62 HE2 LYS 18 1HE LYS 18 4.298 6.178 -10.487 63 HE3 LYS 18 2HE LYS 18 3.842 6.665 -8.837 64 HZ1 LYS 18 3HZ LYS 18 5.835 8.024 -10.537 65 HZ2 LYS 18 1HZ LYS 18 4.308 8.566 -10.229 66 HZ3 LYS 18 2HZ LYS 18 5.414 8.474 -9.007 67 H GLN 19 H GLN 19 7.322 2.282 -5.386 68 HA GLN 19 HA GLN 19 9.705 0.912 -6.179 69 HB2 GLN 19 1HB GLN 19 9.460 2.373 -4.189 70 HB3 GLN 19 2HB GLN 19 8.450 1.118 -3.432 71 HG2 GLN 19 1HG GLN 19 10.820 0.674 -2.502 72 HG3 GLN 19 2HG GLN 19 10.201 -0.384 -3.792 73 HE21 GLN 19 2HE2 GLN 19 12.326 -1.017 -4.337 74 HE22 GLN 19 1HE2 GLN 19 13.388 0.035 -5.212 75 H ALA 20 H ALA 20 6.710 -0.268 -4.686 76 HA ALA 20 HA ALA 20 7.574 -2.968 -4.352 77 HB1 ALA 20 3HB ALA 20 4.788 -1.878 -4.881 78 HB2 ALA 20 1HB ALA 20 5.169 -3.506 -4.279 79 HB3 ALA 20 2HB ALA 20 5.549 -2.080 -3.286 80 H PHE 21 H PHE 21 6.027 -1.306 -7.089 81 HA PHE 21 HA PHE 21 5.776 -3.602 -8.782 82 HB2 PHE 21 1HB PHE 21 5.905 -0.621 -9.217 83 HB3 PHE 21 2HB PHE 21 6.048 -1.709 -10.615 84 HD1 PHE 21 HD2 PHE 21 4.212 -3.662 -10.588 85 HD2 PHE 21 HD1 PHE 21 3.840 0.172 -8.740 86 HE1 PHE 21 HE2 PHE 21 1.749 -3.850 -10.698 87 HE2 PHE 21 HE1 PHE 21 1.378 -0.015 -8.845 88 HZ PHE 21 HZ PHE 21 0.332 -2.026 -9.823 89 H LYS 22 H LYS 22 8.438 -1.273 -8.382 90 HA LYS 22 HA LYS 22 10.090 -2.380 -10.452 91 HB2 LYS 22 1HB LYS 22 10.744 -0.837 -7.940 92 HB3 LYS 22 2HB LYS 22 11.941 -1.277 -9.181 93 HG2 LYS 22 1HG LYS 22 10.715 0.038 -10.850 94 HG3 LYS 22 2HG LYS 22 9.487 0.456 -9.631 95 HD2 LYS 22 1HD LYS 22 11.236 1.573 -8.279 96 HD3 LYS 22 2HD LYS 22 12.434 1.192 -9.539 97 HE2 LYS 22 1HE LYS 22 11.153 2.511 -11.165 98 HE3 LYS 22 2HE LYS 22 9.944 2.884 -9.916 99 HZ1 LYS 22 3HZ LYS 22 12.784 3.676 -9.840 100 HZ2 LYS 22 1HZ LYS 22 11.519 4.675 -10.189 101 HZ3 LYS 22 2HZ LYS 22 11.662 4.021 -8.682 102 H GLU 23 H GLU 23 9.929 -3.034 -6.957 103 HA GLU 23 HA GLU 23 12.094 -4.928 -6.941 104 HB2 GLU 23 1HB GLU 23 9.691 -4.547 -5.154 105 HB3 GLU 23 2HB GLU 23 10.976 -5.740 -4.845 106 HG2 GLU 23 1HG GLU 23 12.645 -3.887 -4.591 107 HG3 GLU 23 2HG GLU 23 11.352 -2.790 -5.124 108 H ALA 24 H ALA 24 8.598 -5.297 -7.425 109 HA ALA 24 HA ALA 24 8.650 -8.161 -7.580 110 HB1 ALA 24 3HB ALA 24 6.732 -6.173 -8.842 111 HB2 ALA 24 1HB ALA 24 6.456 -7.921 -8.678 112 HB3 ALA 24 2HB ALA 24 6.575 -6.899 -7.226 113 H LEU 25 H LEU 25 9.053 -5.610 -10.009 114 HA LEU 25 HA LEU 25 9.160 -7.346 -12.291 115 HB2 LEU 25 1HB LEU 25 9.846 -4.673 -11.524 116 HB3 LEU 25 2HB LEU 25 10.825 -5.187 -12.918 117 HG LEU 25 HG LEU 25 8.940 -5.423 -14.310 118 HD11 LEU 25 1HD1 LEU 25 6.586 -5.344 -13.444 119 HD12 LEU 25 2HD1 LEU 25 7.510 -6.661 -12.685 120 HD13 LEU 25 3HD1 LEU 25 7.216 -5.149 -11.792 121 HD21 LEU 25 3HD2 LEU 25 9.510 -3.097 -13.928 122 HD22 LEU 25 1HD2 LEU 25 7.754 -3.260 -14.166 123 HD23 LEU 25 2HD2 LEU 25 8.415 -3.027 -12.529 124 H LYS 26 H LYS 26 11.633 -6.294 -9.990 125 HA LYS 26 HA LYS 26 13.831 -7.583 -11.361 126 HB2 LYS 26 1HB LYS 26 13.383 -6.788 -8.483 127 HB3 LYS 26 2HB LYS 26 14.902 -7.482 -9.098 128 HG2 LYS 26 1HG LYS 26 15.180 -5.578 -10.614 129 HG3 LYS 26 2HG LYS 26 13.638 -4.890 -10.050 130 HD2 LYS 26 1HD LYS 26 14.571 -4.743 -7.757 131 HD3 LYS 26 2HD LYS 26 16.123 -5.362 -8.369 132 HE2 LYS 26 1HE LYS 26 16.305 -3.429 -9.873 133 HE3 LYS 26 2HE LYS 26 14.749 -2.811 -9.271 134 HZ1 LYS 26 3HZ LYS 26 17.187 -3.188 -7.652 135 HZ2 LYS 26 1HZ LYS 26 16.609 -1.741 -8.193 136 HZ3 LYS 26 2HZ LYS 26 15.745 -2.615 -7.093 137 H GLU 27 H GLU 27 11.595 -8.635 -8.808 138 HA GLU 27 HA GLU 27 12.824 -11.195 -8.377 139 HB2 GLU 27 1HB GLU 27 11.231 -10.196 -6.830 140 HB3 GLU 27 2HB GLU 27 9.953 -10.304 -8.065 141 HG2 GLU 27 1HG GLU 27 9.632 -12.201 -6.501 142 HG3 GLU 27 2HG GLU 27 10.248 -12.721 -8.087 143 H LYS 28 H LYS 28 10.598 -10.016 -10.812 144 HA LYS 28 HA LYS 28 10.276 -12.793 -11.864 145 HB2 LYS 28 1HB LYS 28 8.912 -10.187 -12.555 146 HB3 LYS 28 2HB LYS 28 8.614 -11.743 -13.367 147 HG2 LYS 28 1HG LYS 28 7.940 -10.931 -10.530 148 HG3 LYS 28 2HG LYS 28 6.840 -11.484 -11.816 149 HD2 LYS 28 1HD LYS 28 9.028 -13.218 -10.636 150 HD3 LYS 28 2HD LYS 28 7.368 -13.180 -9.997 151 HE2 LYS 28 1HE LYS 28 6.499 -13.858 -12.189 152 HE3 LYS 28 2HE LYS 28 8.152 -13.876 -12.844 153 HZ1 LYS 28 3HZ LYS 28 7.149 -15.607 -10.675 154 HZ2 LYS 28 1HZ LYS 28 7.412 -16.078 -12.234 155 HZ3 LYS 28 2HZ LYS 28 8.682 -15.625 -11.283 156 H ARG 29 H ARG 29 12.608 -10.675 -12.060 157 HA ARG 29 HA ARG 29 14.045 -9.903 -13.756 158 HB2 ARG 29 1HB ARG 29 13.596 -12.741 -14.564 159 HB3 ARG 29 2HB ARG 29 14.876 -11.670 -15.180 160 HG2 ARG 29 1HG ARG 29 15.749 -11.442 -12.867 161 HG3 ARG 29 2HG ARG 29 14.514 -12.599 -12.314 162 HD2 ARG 29 1HD ARG 29 15.491 -14.288 -13.780 163 HD3 ARG 29 2HD ARG 29 16.761 -13.127 -14.231 164 HE ARG 29 HE ARG 29 16.913 -13.491 -11.370 165 HH11 ARG 29 1HH1 ARG 29 17.358 -15.412 -14.246 166 HH12 ARG 29 2HH1 ARG 29 18.547 -16.394 -13.412 167 HH21 ARG 29 1HH2 ARG 29 18.266 -14.611 -10.399 168 HH22 ARG 29 2HH2 ARG 29 19.066 -15.938 -11.218 169 H VAL 30 H VAL 30 11.814 -8.708 -14.328 170 HA VAL 30 HA VAL 30 10.701 -9.383 -16.947 171 HB VAL 30 HB VAL 30 10.643 -6.780 -15.363 172 HG11 VAL 30 1HG1 VAL 30 8.738 -6.212 -16.832 173 HG12 VAL 30 2HG1 VAL 30 10.227 -6.451 -17.777 174 HG13 VAL 30 3HG1 VAL 30 8.984 -7.724 -17.737 175 HG21 VAL 30 3HG2 VAL 30 9.607 -8.598 -14.141 176 HG22 VAL 30 1HG2 VAL 30 8.380 -7.453 -14.731 177 HG23 VAL 30 2HG2 VAL 30 8.614 -9.010 -15.560 178 HA PRO 31 HA PRO 31 14.007 -8.178 -19.378 179 HB2 PRO 31 1HB PRO 31 11.972 -8.143 -21.198 180 HB3 PRO 31 2HB PRO 31 13.407 -8.914 -21.229 181 HG2 PRO 31 1HG PRO 31 11.205 -9.750 -20.115 182 HG3 PRO 31 2HG PRO 31 12.277 -10.656 -20.944 183 HD2 PRO 31 1HD PRO 31 10.323 -9.045 -18.765 184 HD3 PRO 31 2HD PRO 31 11.464 -10.207 -18.883 185 H SER 32 H SER 32 14.961 -6.326 -20.107 186 HA SER 32 HA SER 32 13.726 -3.797 -19.379 187 HB2 SER 32 1HB SER 32 15.578 -2.775 -20.235 188 HB3 SER 32 2HB SER 32 16.066 -4.212 -19.308 189 HG SER 32 HG SER 32 16.306 -5.296 -21.315 190 H ASN 33 H ASN 33 13.541 -5.846 -22.184 191 HA ASN 33 HA ASN 33 12.643 -3.596 -23.919 192 HB2 ASN 33 1HB ASN 33 13.155 -6.539 -24.786 193 HB3 ASN 33 2HB ASN 33 12.471 -5.074 -25.532 194 HD21 ASN 33 2HD2 ASN 33 14.973 -6.816 -25.886 195 HD22 ASN 33 1HD2 ASN 33 16.255 -5.657 -26.007 196 H ALA 34 H ALA 34 11.294 -5.515 -21.634 197 HA ALA 34 HA ALA 34 8.805 -6.128 -23.059 198 HB1 ALA 34 3HB ALA 34 9.506 -6.274 -20.107 199 HB2 ALA 34 1HB ALA 34 8.022 -6.906 -20.855 200 HB3 ALA 34 2HB ALA 34 9.600 -7.613 -21.274 201 H SER 35 H SER 35 6.832 -5.177 -22.835 202 HA SER 35 HA SER 35 6.773 -2.290 -22.345 203 HB2 SER 35 1HB SER 35 4.593 -2.340 -22.951 204 HB3 SER 35 2HB SER 35 5.503 -3.411 -24.041 205 HG SER 35 HG SER 35 3.522 -4.326 -23.347 206 H TRP 36 H TRP 36 5.104 -1.336 -20.915 207 HA TRP 36 HA TRP 36 5.399 -2.143 -18.172 208 HB2 TRP 36 1HB TRP 36 4.897 0.184 -18.757 209 HB3 TRP 36 2HB TRP 36 3.354 -0.307 -19.495 210 HD1 TRP 36 HD1 TRP 36 1.586 0.454 -18.095 211 HE1 TRP 36 HE1 TRP 36 0.988 0.517 -15.460 212 HE3 TRP 36 HE3 TRP 36 5.931 -1.488 -16.311 213 HZ2 TRP 36 HZ2 TRP 36 2.291 -0.197 -13.130 214 HZ3 TRP 36 HZ3 TRP 36 6.241 -1.787 -13.931 215 HH2 TRP 36 HH2 TRP 36 4.491 -1.175 -12.319 216 H GLU 37 H GLU 37 2.790 -2.643 -20.536 217 HA GLU 37 HA GLU 37 0.976 -3.999 -18.810 218 HB2 GLU 37 1HB GLU 37 0.458 -3.254 -21.091 219 HB3 GLU 37 2HB GLU 37 1.565 -4.490 -21.735 220 HG2 GLU 37 1HG GLU 37 0.051 -6.291 -20.773 221 HG3 GLU 37 2HG GLU 37 -0.916 -4.944 -20.128 222 H GLN 38 H GLN 38 3.634 -5.314 -20.796 223 HA GLN 38 HA GLN 38 3.280 -8.030 -19.937 224 HB2 GLN 38 1HB GLN 38 4.606 -7.297 -21.900 225 HB3 GLN 38 2HB GLN 38 5.806 -6.598 -20.787 226 HG2 GLN 38 1HG GLN 38 6.745 -8.939 -21.348 227 HG3 GLN 38 2HG GLN 38 5.956 -8.695 -19.771 228 HE21 GLN 38 2HE2 GLN 38 5.564 -10.919 -19.535 229 HE22 GLN 38 1HE2 GLN 38 4.341 -11.736 -20.451 230 H ALA 39 H ALA 39 5.273 -5.380 -18.659 231 HA ALA 39 HA ALA 39 6.645 -6.853 -16.681 232 HB1 ALA 39 3HB ALA 39 5.643 -3.988 -16.555 233 HB2 ALA 39 1HB ALA 39 6.886 -4.701 -15.502 234 HB3 ALA 39 2HB ALA 39 7.191 -4.529 -17.247 235 H MET 40 H MET 40 3.429 -5.342 -16.557 236 HA MET 40 HA MET 40 2.926 -6.043 -13.795 237 HB2 MET 40 1HB MET 40 1.124 -5.394 -16.123 238 HB3 MET 40 2HB MET 40 0.539 -5.692 -14.469 239 HG2 MET 40 1HG MET 40 2.010 -3.797 -13.706 240 HG3 MET 40 2HG MET 40 2.333 -3.443 -15.420 241 HE1 MET 40 3HE MET 40 -0.273 -3.776 -16.968 242 HE2 MET 40 1HE MET 40 -1.055 -2.188 -16.778 243 HE3 MET 40 2HE MET 40 0.705 -2.289 -17.034 244 H LYS 41 H LYS 41 2.076 -7.599 -16.885 245 HA LYS 41 HA LYS 41 0.524 -9.712 -15.772 246 HB2 LYS 41 1HB LYS 41 2.221 -9.520 -18.258 247 HB3 LYS 41 2HB LYS 41 1.241 -10.949 -17.855 248 HG2 LYS 41 1HG LYS 41 -0.795 -9.579 -17.899 249 HG3 LYS 41 2HG LYS 41 0.176 -8.135 -18.270 250 HD2 LYS 41 1HD LYS 41 0.896 -9.124 -20.382 251 HD3 LYS 41 2HD LYS 41 0.017 -10.624 -20.003 252 HE2 LYS 41 1HE LYS 41 -2.104 -9.408 -20.019 253 HE3 LYS 41 2HE LYS 41 -1.244 -7.885 -20.342 254 HZ1 LYS 41 3HZ LYS 41 -1.310 -10.231 -22.131 255 HZ2 LYS 41 1HZ LYS 41 -2.160 -8.833 -22.349 256 HZ3 LYS 41 2HZ LYS 41 -0.513 -8.818 -22.432 257 H MET 42 H MET 42 4.005 -9.323 -16.092 258 HA MET 42 HA MET 42 4.719 -12.046 -15.512 259 HB2 MET 42 1HB MET 42 6.117 -9.407 -15.124 260 HB3 MET 42 2HB MET 42 6.860 -10.970 -14.710 261 HG2 MET 42 1HG MET 42 5.869 -10.179 -17.465 262 HG3 MET 42 2HG MET 42 7.565 -10.104 -16.932 263 HE1 MET 42 3HE MET 42 8.022 -12.658 -15.229 264 HE2 MET 42 1HE MET 42 8.524 -13.841 -16.461 265 HE3 MET 42 2HE MET 42 9.106 -12.161 -16.551 266 H ILE 43 H ILE 43 3.825 -9.336 -13.463 267 HA ILE 43 HA ILE 43 4.513 -10.949 -11.032 268 HB ILE 43 HB ILE 43 4.232 -8.853 -9.792 269 HG12 ILE 43 1HG1 ILE 43 3.597 -7.535 -12.416 270 HG13 ILE 43 2HG1 ILE 43 2.378 -8.049 -11.225 271 HG21 ILE 43 1HG2 ILE 43 6.055 -7.514 -10.790 272 HG22 ILE 43 2HG2 ILE 43 6.435 -9.251 -10.840 273 HG23 ILE 43 3HG2 ILE 43 5.886 -8.418 -12.313 274 HD11 ILE 43 3HD1 ILE 43 4.591 -6.021 -10.746 275 HD12 ILE 43 1HD1 ILE 43 2.873 -5.645 -11.011 276 HD13 ILE 43 2HD1 ILE 43 3.374 -6.536 -9.554 277 H ILE 44 H ILE 44 1.873 -10.082 -12.984 278 HA ILE 44 HA ILE 44 -0.163 -10.426 -10.902 279 HB ILE 44 HB ILE 44 -0.229 -10.487 -13.948 280 HG12 ILE 44 1HG1 ILE 44 -1.534 -8.591 -12.021 281 HG13 ILE 44 2HG1 ILE 44 0.084 -8.343 -12.716 282 HG21 ILE 44 1HG2 ILE 44 -2.688 -10.637 -13.754 283 HG22 ILE 44 2HG2 ILE 44 -1.904 -12.078 -13.068 284 HG23 ILE 44 3HG2 ILE 44 -2.539 -10.814 -11.991 285 HD11 ILE 44 3HD1 ILE 44 -2.507 -8.592 -14.285 286 HD12 ILE 44 1HD1 ILE 44 -1.624 -7.081 -13.966 287 HD13 ILE 44 2HD1 ILE 44 -0.889 -8.344 -14.980 288 H ASN 45 H ASN 45 1.526 -12.551 -13.138 289 HA ASN 45 HA ASN 45 -0.119 -14.866 -12.479 290 HB2 ASN 45 1HB ASN 45 2.670 -14.853 -13.862 291 HB3 ASN 45 2HB ASN 45 1.520 -16.097 -13.316 292 HD21 ASN 45 2HD2 ASN 45 2.527 -15.285 -16.000 293 HD22 ASN 45 1HD2 ASN 45 1.103 -15.009 -16.947 294 H ASP 46 H ASP 46 2.393 -13.186 -10.875 295 HA ASP 46 HA ASP 46 3.080 -15.542 -9.194 296 HB2 ASP 46 1HB ASP 46 4.889 -13.843 -9.976 297 HB3 ASP 46 2HB ASP 46 3.910 -12.717 -9.004 298 HA PRO 47 HA PRO 47 -0.284 -14.489 -6.655 299 HB2 PRO 47 1HB PRO 47 0.222 -16.309 -4.967 300 HB3 PRO 47 2HB PRO 47 -0.483 -16.580 -6.410 301 HG2 PRO 47 1HG PRO 47 1.988 -17.088 -5.757 302 HG3 PRO 47 2HG PRO 47 1.014 -18.021 -6.674 303 HD2 PRO 47 1HD PRO 47 2.760 -16.574 -7.694 304 HD3 PRO 47 2HD PRO 47 1.299 -16.796 -8.386 305 H ARG 48 H ARG 48 2.990 -14.563 -5.867 306 HA ARG 48 HA ARG 48 2.782 -13.670 -3.123 307 HB2 ARG 48 1HB ARG 48 5.032 -13.528 -5.075 308 HB3 ARG 48 2HB ARG 48 5.118 -13.006 -3.376 309 HG2 ARG 48 1HG ARG 48 4.556 -15.300 -2.659 310 HG3 ARG 48 2HG ARG 48 4.520 -15.812 -4.364 311 HD2 ARG 48 1HD ARG 48 6.911 -14.715 -2.918 312 HD3 ARG 48 2HD ARG 48 6.566 -16.438 -3.205 313 HE ARG 48 HE ARG 48 6.733 -15.356 -5.806 314 HH11 ARG 48 1HH1 ARG 48 8.853 -15.207 -3.040 315 HH12 ARG 48 2HH1 ARG 48 10.244 -15.117 -4.104 316 HH21 ARG 48 1HH2 ARG 48 8.316 -15.246 -7.036 317 HH22 ARG 48 2HH2 ARG 48 9.938 -15.138 -6.383 318 H TYR 49 H TYR 49 2.585 -12.057 -6.196 319 HA TYR 49 HA TYR 49 2.530 -9.428 -4.744 320 HB2 TYR 49 1HB TYR 49 3.184 -10.023 -7.638 321 HB3 TYR 49 2HB TYR 49 3.095 -8.408 -6.892 322 HD1 TYR 49 HD2 TYR 49 4.682 -8.030 -4.836 323 HD2 TYR 49 HD1 TYR 49 5.254 -11.099 -7.741 324 HE1 TYR 49 HE2 TYR 49 7.062 -8.187 -4.187 325 HE2 TYR 49 HE1 TYR 49 7.641 -11.269 -7.102 326 HH TYR 49 HH TYR 49 9.059 -9.217 -4.552 327 H SER 50 H SER 50 0.331 -11.306 -4.963 328 HA SER 50 HA SER 50 -1.630 -10.620 -6.926 329 HB2 SER 50 1HB SER 50 -3.222 -11.425 -5.498 330 HB3 SER 50 2HB SER 50 -1.779 -12.463 -5.436 331 HG SER 50 HG SER 50 -1.228 -11.399 -3.479 332 H ALA 51 H ALA 51 -0.460 -8.902 -4.063 333 HA ALA 51 HA ALA 51 -2.607 -7.019 -3.855 334 HB1 ALA 51 3HB ALA 51 0.323 -6.721 -3.109 335 HB2 ALA 51 1HB ALA 51 -0.998 -5.654 -2.580 336 HB3 ALA 51 2HB ALA 51 -0.966 -7.356 -2.061 337 H LEU 52 H LEU 52 0.423 -6.992 -5.712 338 HA LEU 52 HA LEU 52 -0.116 -4.377 -6.888 339 HB2 LEU 52 1HB LEU 52 1.633 -6.657 -7.521 340 HB3 LEU 52 2HB LEU 52 1.752 -5.188 -8.519 341 HG LEU 52 HG LEU 52 2.319 -5.388 -5.535 342 HD11 LEU 52 1HD1 LEU 52 4.688 -4.913 -6.214 343 HD12 LEU 52 2HD1 LEU 52 4.095 -6.420 -6.949 344 HD13 LEU 52 3HD1 LEU 52 4.186 -4.931 -7.920 345 HD21 LEU 52 3HD2 LEU 52 1.368 -3.238 -6.123 346 HD22 LEU 52 1HD2 LEU 52 3.095 -3.052 -5.736 347 HD23 LEU 52 2HD2 LEU 52 2.556 -3.037 -7.434 348 H ALA 53 H ALA 53 -0.792 -7.721 -7.757 349 HA ALA 53 HA ALA 53 -1.679 -7.243 -10.420 350 HB1 ALA 53 3HB ALA 53 -2.649 -9.299 -8.407 351 HB2 ALA 53 1HB ALA 53 -2.943 -9.342 -10.160 352 HB3 ALA 53 2HB ALA 53 -1.285 -9.496 -9.532 353 H LYS 54 H LYS 54 -3.386 -7.037 -7.312 354 HA LYS 54 HA LYS 54 -5.916 -6.263 -8.546 355 HB2 LYS 54 1HB LYS 54 -4.849 -6.045 -5.729 356 HB3 LYS 54 2HB LYS 54 -6.497 -5.588 -6.220 357 HG2 LYS 54 1HG LYS 54 -6.940 -7.905 -6.913 358 HG3 LYS 54 2HG LYS 54 -5.288 -8.367 -6.439 359 HD2 LYS 54 1HD LYS 54 -5.791 -7.676 -4.109 360 HD3 LYS 54 2HD LYS 54 -7.459 -7.298 -4.603 361 HE2 LYS 54 1HE LYS 54 -7.798 -9.637 -5.266 362 HE3 LYS 54 2HE LYS 54 -6.127 -10.019 -4.791 363 HZ1 LYS 54 3HZ LYS 54 -8.250 -9.065 -2.978 364 HZ2 LYS 54 1HZ LYS 54 -7.698 -10.616 -3.076 365 HZ3 LYS 54 2HZ LYS 54 -6.701 -9.419 -2.536 366 H LEU 55 H LEU 55 -3.183 -4.536 -7.089 367 HA LEU 55 HA LEU 55 -4.337 -1.937 -7.098 368 HB2 LEU 55 1HB LEU 55 -2.398 -2.507 -5.986 369 HB3 LEU 55 2HB LEU 55 -1.417 -2.811 -7.438 370 HG LEU 55 HG LEU 55 -1.767 -0.404 -8.082 371 HD11 LEU 55 1HD1 LEU 55 -2.495 1.167 -6.266 372 HD12 LEU 55 2HD1 LEU 55 -3.786 0.014 -6.680 373 HD13 LEU 55 3HD1 LEU 55 -2.814 -0.228 -5.209 374 HD21 LEU 55 3HD2 LEU 55 0.308 -1.143 -7.069 375 HD22 LEU 55 1HD2 LEU 55 -0.104 0.489 -6.488 376 HD23 LEU 55 2HD2 LEU 55 -0.376 -0.924 -5.439 377 H SER 56 H SER 56 -2.725 -3.747 -9.674 378 HA SER 56 HA SER 56 -2.482 -1.642 -11.623 379 HB2 SER 56 1HB SER 56 -2.108 -3.217 -13.168 380 HB3 SER 56 2HB SER 56 -1.394 -3.812 -11.653 381 HG SER 56 HG SER 56 -3.267 -5.121 -11.412 382 H GLU 57 H GLU 57 -5.231 -3.461 -10.427 383 HA GLU 57 HA GLU 57 -6.933 -2.521 -12.689 384 HB2 GLU 57 1HB GLU 57 -7.530 -4.314 -10.330 385 HB3 GLU 57 2HB GLU 57 -8.668 -3.893 -11.632 386 HG2 GLU 57 1HG GLU 57 -7.169 -5.094 -13.287 387 HG3 GLU 57 2HG GLU 57 -6.078 -5.361 -11.907 388 H LYS 58 H LYS 58 -6.332 -1.992 -9.273 389 HA LYS 58 HA LYS 58 -8.684 -0.409 -8.758 390 HB2 LYS 58 1HB LYS 58 -5.942 -0.464 -7.494 391 HB3 LYS 58 2HB LYS 58 -7.300 0.515 -6.890 392 HG2 LYS 58 1HG LYS 58 -8.603 -1.503 -6.458 393 HG3 LYS 58 2HG LYS 58 -7.304 -2.511 -7.139 394 HD2 LYS 58 1HD LYS 58 -5.773 -1.701 -5.368 395 HD3 LYS 58 2HD LYS 58 -7.108 -0.751 -4.672 396 HE2 LYS 58 1HE LYS 58 -8.392 -2.822 -4.318 397 HE3 LYS 58 2HE LYS 58 -7.048 -3.767 -5.000 398 HZ1 LYS 58 3HZ LYS 58 -6.915 -2.110 -2.563 399 HZ2 LYS 58 1HZ LYS 58 -7.000 -3.757 -2.599 400 HZ3 LYS 58 2HZ LYS 58 -5.668 -2.986 -3.194 401 H LYS 59 H LYS 59 -5.517 0.347 -10.105 402 HA LYS 59 HA LYS 59 -6.568 2.840 -11.214 403 HB2 LYS 59 1HB LYS 59 -6.041 3.533 -8.924 404 HB3 LYS 59 2HB LYS 59 -4.381 2.924 -9.129 405 HG2 LYS 59 1HG LYS 59 -4.242 5.273 -9.426 406 HG3 LYS 59 2HG LYS 59 -4.156 4.569 -11.058 407 HD2 LYS 59 1HD LYS 59 -6.557 5.017 -11.377 408 HD3 LYS 59 2HD LYS 59 -6.641 5.724 -9.747 409 HE2 LYS 59 1HE LYS 59 -5.107 7.488 -10.379 410 HE3 LYS 59 2HE LYS 59 -4.853 6.743 -11.973 411 HZ1 LYS 59 3HZ LYS 59 -7.403 7.847 -10.984 412 HZ2 LYS 59 1HZ LYS 59 -6.407 8.570 -12.083 413 HZ3 LYS 59 2HZ LYS 59 -7.168 7.157 -12.464 Start of MODEL 6 1 H1 TRP 11 H TRP 11 3.494 1.471 0.933 2 HA TRP 11 HA TRP 11 2.684 1.820 -1.942 3 HB2 TRP 11 1HB TRP 11 0.624 0.020 -0.616 4 HB3 TRP 11 2HB TRP 11 1.036 0.147 -2.343 5 HD1 TRP 11 HD1 TRP 11 4.148 0.113 -0.841 6 HE1 TRP 11 HE1 TRP 11 5.233 -2.359 -0.712 7 HE3 TRP 11 HE3 TRP 11 -0.079 -2.586 -1.666 8 HZ2 TRP 11 HZ2 TRP 11 4.276 -4.942 -0.946 9 HZ3 TRP 11 HZ3 TRP 11 0.013 -5.001 -1.713 10 HH2 TRP 11 HH2 TRP 11 2.119 -6.217 -1.363 11 H ASN 12 H ASN 12 2.120 3.598 0.434 12 HA ASN 12 HA ASN 12 -0.729 4.274 0.105 13 HB2 ASN 12 1HB ASN 12 1.386 5.768 1.832 14 HB3 ASN 12 2HB ASN 12 -0.323 6.012 1.397 15 HD21 ASN 12 2HD2 ASN 12 1.153 5.404 3.956 16 HD22 ASN 12 1HD2 ASN 12 0.301 4.055 4.631 17 H THR 13 H THR 13 2.227 5.083 -1.418 18 HA THR 13 HA THR 13 0.818 7.317 -2.840 19 HB THR 13 HB THR 13 2.924 8.492 -3.084 20 HG1 THR 13 HG1 THR 13 4.821 7.619 -2.058 21 HG21 THR 13 3HG2 THR 13 2.559 7.593 -0.198 22 HG22 THR 13 1HG2 THR 13 3.429 9.050 -0.732 23 HG23 THR 13 2HG2 THR 13 1.674 8.914 -0.995 24 H LYS 14 H LYS 14 1.798 7.806 -4.980 25 HA LYS 14 HA LYS 14 1.797 5.425 -6.606 26 HB2 LYS 14 1HB LYS 14 2.612 8.280 -7.154 27 HB3 LYS 14 2HB LYS 14 2.581 7.000 -8.390 28 HG2 LYS 14 1HG LYS 14 0.164 6.704 -8.025 29 HG3 LYS 14 2HG LYS 14 0.194 7.982 -6.788 30 HD2 LYS 14 1HD LYS 14 0.950 9.603 -8.486 31 HD3 LYS 14 2HD LYS 14 0.902 8.323 -9.722 32 HE2 LYS 14 1HE LYS 14 -1.505 8.048 -9.360 33 HE3 LYS 14 2HE LYS 14 -1.468 9.300 -8.098 34 HZ1 LYS 14 3HZ LYS 14 -0.822 9.716 -10.947 35 HZ2 LYS 14 1HZ LYS 14 -2.219 10.180 -10.203 36 HZ3 LYS 14 2HZ LYS 14 -0.787 10.878 -9.776 37 H GLU 15 H GLU 15 4.358 7.355 -5.164 38 HA GLU 15 HA GLU 15 6.511 6.119 -6.663 39 HB2 GLU 15 1HB GLU 15 6.412 7.571 -4.017 40 HB3 GLU 15 2HB GLU 15 7.912 6.992 -4.781 41 HG2 GLU 15 1HG GLU 15 7.500 8.538 -6.730 42 HG3 GLU 15 2HG GLU 15 5.951 8.924 -5.947 43 H GLU 16 H GLU 16 5.058 5.480 -3.477 44 HA GLU 16 HA GLU 16 6.837 3.293 -2.841 45 HB2 GLU 16 1HB GLU 16 4.072 4.045 -1.891 46 HB3 GLU 16 2HB GLU 16 5.001 2.670 -1.246 47 HG2 GLU 16 1HG GLU 16 6.789 4.297 -0.463 48 HG3 GLU 16 2HG GLU 16 5.787 5.555 -1.223 49 H ALA 17 H ALA 17 3.715 3.487 -4.499 50 HA ALA 17 HA ALA 17 3.303 0.662 -4.698 51 HB1 ALA 17 3HB ALA 17 2.389 2.897 -6.543 52 HB2 ALA 17 1HB ALA 17 1.752 1.235 -6.526 53 HB3 ALA 17 2HB ALA 17 1.517 2.293 -5.114 54 H LYS 18 H LYS 18 4.813 2.986 -6.951 55 HA LYS 18 HA LYS 18 5.483 0.987 -8.925 56 HB2 LYS 18 1HB LYS 18 6.556 3.741 -8.322 57 HB3 LYS 18 2HB LYS 18 7.127 2.741 -9.678 58 HG2 LYS 18 1HG LYS 18 4.861 2.719 -10.628 59 HG3 LYS 18 2HG LYS 18 4.275 3.703 -9.266 60 HD2 LYS 18 1HD LYS 18 5.810 5.517 -9.920 61 HD3 LYS 18 2HD LYS 18 6.385 4.535 -11.288 62 HE2 LYS 18 1HE LYS 18 4.115 4.509 -12.227 63 HE3 LYS 18 2HE LYS 18 3.535 5.486 -10.859 64 HZ1 LYS 18 3HZ LYS 18 5.547 6.336 -12.843 65 HZ2 LYS 18 1HZ LYS 18 3.975 6.837 -12.794 66 HZ3 LYS 18 2HZ LYS 18 5.010 7.243 -11.574 67 H GLN 19 H GLN 19 7.123 2.208 -6.057 68 HA GLN 19 HA GLN 19 9.668 0.992 -6.541 69 HB2 GLN 19 1HB GLN 19 9.217 2.657 -4.787 70 HB3 GLN 19 2HB GLN 19 8.209 1.465 -3.934 71 HG2 GLN 19 1HG GLN 19 10.522 1.301 -2.784 72 HG3 GLN 19 2HG GLN 19 10.042 0.029 -3.933 73 HE21 GLN 19 2HE2 GLN 19 12.198 -0.588 -4.277 74 HE22 GLN 19 1HE2 GLN 19 13.289 0.379 -5.214 75 H ALA 20 H ALA 20 6.815 -0.242 -4.782 76 HA ALA 20 HA ALA 20 7.955 -2.816 -4.263 77 HB1 ALA 20 3HB ALA 20 5.044 -1.997 -4.539 78 HB2 ALA 20 1HB ALA 20 5.632 -3.518 -3.829 79 HB3 ALA 20 2HB ALA 20 6.004 -1.966 -3.042 80 H PHE 21 H PHE 21 6.105 -1.523 -6.988 81 HA PHE 21 HA PHE 21 5.775 -3.977 -8.421 82 HB2 PHE 21 1HB PHE 21 6.053 -1.092 -9.354 83 HB3 PHE 21 2HB PHE 21 5.692 -2.447 -10.447 84 HD1 PHE 21 HD1 PHE 21 4.039 -3.720 -7.946 85 HD2 PHE 21 HD2 PHE 21 3.949 -0.119 -10.245 86 HE1 PHE 21 HE1 PHE 21 1.628 -3.472 -7.461 87 HE2 PHE 21 HE2 PHE 21 1.538 0.133 -9.760 88 HZ PHE 21 HZ PHE 21 0.377 -1.545 -8.368 89 H LYS 22 H LYS 22 8.426 -1.595 -8.474 90 HA LYS 22 HA LYS 22 9.981 -2.948 -10.467 91 HB2 LYS 22 1HB LYS 22 10.712 -1.087 -8.209 92 HB3 LYS 22 2HB LYS 22 11.893 -1.710 -9.384 93 HG2 LYS 22 1HG LYS 22 10.664 -0.642 -11.214 94 HG3 LYS 22 2HG LYS 22 9.438 -0.054 -10.065 95 HD2 LYS 22 1HD LYS 22 11.183 1.251 -8.894 96 HD3 LYS 22 2HD LYS 22 12.384 0.688 -10.080 97 HE2 LYS 22 1HE LYS 22 11.108 1.753 -11.886 98 HE3 LYS 22 2HE LYS 22 9.896 2.306 -10.709 99 HZ1 LYS 22 3HZ LYS 22 12.738 3.098 -10.745 100 HZ2 LYS 22 1HZ LYS 22 11.475 4.036 -11.241 101 HZ3 LYS 22 2HZ LYS 22 11.614 3.612 -9.652 102 H GLU 23 H GLU 23 9.848 -3.278 -6.941 103 HA GLU 23 HA GLU 23 12.030 -5.106 -6.673 104 HB2 GLU 23 1HB GLU 23 9.467 -4.756 -5.118 105 HB3 GLU 23 2HB GLU 23 10.761 -5.887 -4.649 106 HG2 GLU 23 1HG GLU 23 12.334 -3.971 -4.313 107 HG3 GLU 23 2HG GLU 23 11.071 -2.940 -5.025 108 H ALA 24 H ALA 24 8.555 -5.730 -7.191 109 HA ALA 24 HA ALA 24 8.862 -8.576 -7.395 110 HB1 ALA 24 3HB ALA 24 6.743 -6.751 -8.583 111 HB2 ALA 24 1HB ALA 24 6.631 -8.521 -8.441 112 HB3 ALA 24 2HB ALA 24 6.690 -7.513 -6.975 113 H LEU 25 H LEU 25 9.119 -5.950 -9.740 114 HA LEU 25 HA LEU 25 9.202 -7.589 -12.093 115 HB2 LEU 25 1HB LEU 25 9.901 -4.938 -11.233 116 HB3 LEU 25 2HB LEU 25 10.786 -5.387 -12.709 117 HG LEU 25 HG LEU 25 8.880 -5.419 -14.014 118 HD11 LEU 25 1HD1 LEU 25 6.563 -5.710 -13.098 119 HD12 LEU 25 2HD1 LEU 25 7.630 -7.041 -12.592 120 HD13 LEU 25 3HD1 LEU 25 7.234 -5.734 -11.451 121 HD21 LEU 25 3HD2 LEU 25 9.251 -3.145 -13.258 122 HD22 LEU 25 1HD2 LEU 25 7.509 -3.434 -13.483 123 HD23 LEU 25 2HD2 LEU 25 8.205 -3.414 -11.844 124 H LYS 26 H LYS 26 11.712 -6.575 -9.815 125 HA LYS 26 HA LYS 26 13.900 -7.771 -11.281 126 HB2 LYS 26 1HB LYS 26 13.502 -7.106 -8.364 127 HB3 LYS 26 2HB LYS 26 15.018 -7.744 -9.040 128 HG2 LYS 26 1HG LYS 26 15.236 -5.773 -10.472 129 HG3 LYS 26 2HG LYS 26 13.688 -5.141 -9.865 130 HD2 LYS 26 1HD LYS 26 14.648 -5.072 -7.574 131 HD3 LYS 26 2HD LYS 26 16.206 -5.620 -8.235 132 HE2 LYS 26 1HE LYS 26 16.319 -3.622 -9.652 133 HE3 LYS 26 2HE LYS 26 14.751 -3.075 -9.016 134 HZ1 LYS 26 3HZ LYS 26 17.210 -3.445 -7.428 135 HZ2 LYS 26 1HZ LYS 26 16.587 -1.995 -7.906 136 HZ3 LYS 26 2HZ LYS 26 15.755 -2.938 -6.838 137 H GLU 27 H GLU 27 11.752 -8.965 -8.710 138 HA GLU 27 HA GLU 27 13.002 -11.538 -8.452 139 HB2 GLU 27 1HB GLU 27 11.419 -10.587 -6.834 140 HB3 GLU 27 2HB GLU 27 10.118 -10.729 -8.041 141 HG2 GLU 27 1HG GLU 27 9.904 -12.667 -6.521 142 HG3 GLU 27 2HG GLU 27 10.534 -13.133 -8.118 143 H LYS 28 H LYS 28 10.692 -10.246 -10.755 144 HA LYS 28 HA LYS 28 10.333 -12.961 -11.937 145 HB2 LYS 28 1HB LYS 28 9.037 -10.322 -12.635 146 HB3 LYS 28 2HB LYS 28 8.623 -11.921 -13.300 147 HG2 LYS 28 1HG LYS 28 8.425 -11.317 -10.344 148 HG3 LYS 28 2HG LYS 28 7.094 -10.949 -11.466 149 HD2 LYS 28 1HD LYS 28 6.536 -13.079 -10.695 150 HD3 LYS 28 2HD LYS 28 7.367 -13.417 -12.231 151 HE2 LYS 28 1HE LYS 28 9.387 -14.015 -11.109 152 HE3 LYS 28 2HE LYS 28 8.778 -13.405 -9.553 153 HZ1 LYS 28 3HZ LYS 28 7.704 -15.727 -11.022 154 HZ2 LYS 28 1HZ LYS 28 8.656 -15.800 -9.677 155 HZ3 LYS 28 2HZ LYS 28 7.138 -15.161 -9.580 156 H ARG 29 H ARG 29 12.723 -10.924 -12.067 157 HA ARG 29 HA ARG 29 14.167 -10.119 -13.739 158 HB2 ARG 29 1HB ARG 29 13.595 -12.888 -14.693 159 HB3 ARG 29 2HB ARG 29 14.908 -11.836 -15.270 160 HG2 ARG 29 1HG ARG 29 15.816 -11.766 -12.958 161 HG3 ARG 29 2HG ARG 29 14.547 -12.909 -12.455 162 HD2 ARG 29 1HD ARG 29 15.448 -14.544 -14.030 163 HD3 ARG 29 2HD ARG 29 16.754 -13.403 -14.428 164 HE ARG 29 HE ARG 29 16.916 -13.943 -11.593 165 HH11 ARG 29 1HH1 ARG 29 17.282 -15.693 -14.586 166 HH12 ARG 29 2HH1 ARG 29 18.447 -16.759 -13.829 167 HH21 ARG 29 1HH2 ARG 29 18.242 -15.162 -10.708 168 HH22 ARG 29 2HH2 ARG 29 18.995 -16.458 -11.616 169 H VAL 30 H VAL 30 11.961 -8.819 -14.210 170 HA VAL 30 HA VAL 30 10.860 -9.307 -16.889 171 HB VAL 30 HB VAL 30 10.727 -6.861 -15.075 172 HG11 VAL 30 1HG1 VAL 30 8.841 -6.188 -16.525 173 HG12 VAL 30 2HG1 VAL 30 10.351 -6.315 -17.458 174 HG13 VAL 30 3HG1 VAL 30 9.130 -7.606 -17.559 175 HG21 VAL 30 3HG2 VAL 30 9.700 -8.801 -14.049 176 HG22 VAL 30 1HG2 VAL 30 8.465 -7.624 -14.554 177 HG23 VAL 30 2HG2 VAL 30 8.740 -9.095 -15.519 178 HA PRO 31 HA PRO 31 14.215 -7.847 -19.109 179 HB2 PRO 31 1HB PRO 31 12.232 -7.747 -20.986 180 HB3 PRO 31 2HB PRO 31 13.698 -8.455 -21.033 181 HG2 PRO 31 1HG PRO 31 11.506 -9.462 -20.047 182 HG3 PRO 31 2HG PRO 31 12.637 -10.258 -20.910 183 HD2 PRO 31 1HD PRO 31 10.543 -8.862 -18.686 184 HD3 PRO 31 2HD PRO 31 11.721 -9.978 -18.848 185 H SER 32 H SER 32 15.130 -5.923 -19.705 186 HA SER 32 HA SER 32 13.824 -3.480 -18.838 187 HB2 SER 32 1HB SER 32 15.644 -2.356 -19.631 188 HB3 SER 32 2HB SER 32 16.174 -3.833 -18.794 189 HG SER 32 HG SER 32 15.974 -3.482 -21.603 190 H ASN 33 H ASN 33 13.663 -5.363 -21.751 191 HA ASN 33 HA ASN 33 12.760 -3.039 -23.377 192 HB2 ASN 33 1HB ASN 33 13.219 -5.957 -24.361 193 HB3 ASN 33 2HB ASN 33 12.548 -4.455 -25.044 194 HD21 ASN 33 2HD2 ASN 33 15.017 -6.209 -25.503 195 HD22 ASN 33 1HD2 ASN 33 16.315 -5.066 -25.590 196 H ALA 34 H ALA 34 11.415 -5.127 -21.196 197 HA ALA 34 HA ALA 34 8.890 -5.575 -22.603 198 HB1 ALA 34 3HB ALA 34 9.628 -5.897 -19.673 199 HB2 ALA 34 1HB ALA 34 8.119 -6.454 -20.433 200 HB3 ALA 34 2HB ALA 34 9.674 -7.173 -20.913 201 H SER 35 H SER 35 6.934 -4.605 -22.279 202 HA SER 35 HA SER 35 6.994 -1.731 -21.660 203 HB2 SER 35 1HB SER 35 4.852 -1.643 -22.346 204 HB3 SER 35 2HB SER 35 5.723 -2.733 -23.449 205 HG SER 35 HG SER 35 3.671 -3.544 -22.834 206 H TRP 36 H TRP 36 5.533 -0.728 -20.143 207 HA TRP 36 HA TRP 36 5.656 -1.699 -17.477 208 HB2 TRP 36 1HB TRP 36 5.228 0.681 -18.055 209 HB3 TRP 36 2HB TRP 36 3.628 0.230 -18.691 210 HD1 TRP 36 HD1 TRP 36 1.787 0.242 -17.139 211 HE1 TRP 36 HE1 TRP 36 1.445 0.557 -14.476 212 HE3 TRP 36 HE3 TRP 36 6.671 0.048 -15.741 213 HZ2 TRP 36 HZ2 TRP 36 3.114 0.673 -12.278 214 HZ3 TRP 36 HZ3 TRP 36 7.277 0.259 -13.410 215 HH2 TRP 36 HH2 TRP 36 5.577 0.564 -11.662 216 H GLU 37 H GLU 37 2.994 -1.897 -19.839 217 HA GLU 37 HA GLU 37 1.130 -3.235 -18.159 218 HB2 GLU 37 1HB GLU 37 0.612 -2.280 -20.360 219 HB3 GLU 37 2HB GLU 37 1.588 -3.554 -21.131 220 HG2 GLU 37 1HG GLU 37 -0.045 -5.287 -20.253 221 HG3 GLU 37 2HG GLU 37 -0.869 -3.922 -19.467 222 H GLN 38 H GLN 38 3.614 -4.604 -20.324 223 HA GLN 38 HA GLN 38 3.019 -7.341 -19.716 224 HB2 GLN 38 1HB GLN 38 5.531 -5.936 -20.630 225 HB3 GLN 38 2HB GLN 38 5.416 -7.701 -20.430 226 HG2 GLN 38 1HG GLN 38 3.613 -7.722 -22.375 227 HG3 GLN 38 2HG GLN 38 3.733 -5.980 -22.029 228 HE21 GLN 38 2HE2 GLN 38 4.049 -7.409 -24.574 229 HE22 GLN 38 1HE2 GLN 38 5.641 -7.034 -25.144 230 H ALA 39 H ALA 39 5.149 -4.980 -18.162 231 HA ALA 39 HA ALA 39 6.352 -6.812 -16.325 232 HB1 ALA 39 3HB ALA 39 5.796 -3.841 -16.022 233 HB2 ALA 39 1HB ALA 39 6.900 -4.801 -15.010 234 HB3 ALA 39 2HB ALA 39 7.253 -4.567 -16.738 235 H MET 40 H MET 40 3.364 -4.909 -16.178 236 HA MET 40 HA MET 40 2.709 -5.673 -13.458 237 HB2 MET 40 1HB MET 40 1.006 -4.730 -15.764 238 HB3 MET 40 2HB MET 40 0.436 -4.937 -14.090 239 HG2 MET 40 1HG MET 40 2.548 -2.991 -15.068 240 HG3 MET 40 2HG MET 40 0.898 -2.588 -14.537 241 HE1 MET 40 3HE MET 40 4.412 -2.346 -13.581 242 HE2 MET 40 1HE MET 40 4.607 -3.077 -11.970 243 HE3 MET 40 2HE MET 40 4.367 -4.117 -13.396 244 H LYS 41 H LYS 41 2.069 -7.078 -16.630 245 HA LYS 41 HA LYS 41 0.184 -9.059 -15.752 246 HB2 LYS 41 1HB LYS 41 2.150 -8.943 -18.035 247 HB3 LYS 41 2HB LYS 41 1.047 -10.316 -17.773 248 HG2 LYS 41 1HG LYS 41 -0.885 -8.811 -17.991 249 HG3 LYS 41 2HG LYS 41 0.212 -7.432 -18.239 250 HD2 LYS 41 1HD LYS 41 1.068 -8.428 -20.287 251 HD3 LYS 41 2HD LYS 41 0.088 -9.889 -20.019 252 HE2 LYS 41 1HE LYS 41 -1.964 -8.556 -20.205 253 HE3 LYS 41 2HE LYS 41 -0.993 -7.088 -20.456 254 HZ1 LYS 41 3HZ LYS 41 -1.036 -9.439 -22.237 255 HZ2 LYS 41 1HZ LYS 41 -1.782 -7.998 -22.534 256 HZ3 LYS 41 2HZ LYS 41 -0.135 -8.078 -22.470 257 H MET 42 H MET 42 3.722 -9.005 -15.815 258 HA MET 42 HA MET 42 4.097 -11.741 -15.013 259 HB2 MET 42 1HB MET 42 5.749 -9.250 -14.617 260 HB3 MET 42 2HB MET 42 6.284 -10.885 -14.158 261 HG2 MET 42 1HG MET 42 5.571 -9.971 -16.962 262 HG3 MET 42 2HG MET 42 7.222 -10.166 -16.326 263 HE1 MET 42 3HE MET 42 7.168 -12.768 -14.636 264 HE2 MET 42 1HE MET 42 7.552 -14.010 -15.852 265 HE3 MET 42 2HE MET 42 8.394 -12.441 -15.885 266 H ILE 43 H ILE 43 3.620 -8.753 -13.161 267 HA ILE 43 HA ILE 43 3.859 -10.018 -10.561 268 HB ILE 43 HB ILE 43 2.438 -7.488 -11.497 269 HG12 ILE 43 1HG1 ILE 43 4.945 -7.831 -9.877 270 HG13 ILE 43 2HG1 ILE 43 4.903 -7.582 -11.638 271 HG21 ILE 43 1HG2 ILE 43 2.241 -6.916 -9.100 272 HG22 ILE 43 2HG2 ILE 43 1.333 -8.397 -9.481 273 HG23 ILE 43 3HG2 ILE 43 2.910 -8.507 -8.665 274 HD11 ILE 43 3HD1 ILE 43 3.837 -5.657 -9.542 275 HD12 ILE 43 1HD1 ILE 43 5.354 -5.471 -10.452 276 HD13 ILE 43 2HD1 ILE 43 3.793 -5.408 -11.303 277 H ILE 44 H ILE 44 1.128 -9.487 -12.742 278 HA ILE 44 HA ILE 44 -0.863 -10.476 -10.881 279 HB ILE 44 HB ILE 44 -0.814 -10.300 -13.927 280 HG12 ILE 44 1HG1 ILE 44 -2.357 -8.656 -11.945 281 HG13 ILE 44 2HG1 ILE 44 -0.751 -8.209 -12.565 282 HG21 ILE 44 1HG2 ILE 44 -3.250 -10.707 -13.810 283 HG22 ILE 44 2HG2 ILE 44 -2.338 -12.099 -13.182 284 HG23 ILE 44 3HG2 ILE 44 -3.123 -10.967 -12.055 285 HD11 ILE 44 3HD1 ILE 44 -3.253 -8.623 -14.240 286 HD12 ILE 44 1HD1 ILE 44 -2.538 -7.053 -13.806 287 HD13 ILE 44 2HD1 ILE 44 -1.647 -8.176 -14.861 288 H ASN 45 H ASN 45 1.140 -12.066 -13.322 289 HA ASN 45 HA ASN 45 -0.264 -14.580 -13.187 290 HB2 ASN 45 1HB ASN 45 2.631 -14.080 -14.215 291 HB3 ASN 45 2HB ASN 45 1.598 -15.513 -13.992 292 HD21 ASN 45 2HD2 ASN 45 2.740 -14.186 -16.399 293 HD22 ASN 45 1HD2 ASN 45 1.387 -13.911 -17.445 294 H ASP 46 H ASP 46 2.245 -13.137 -11.228 295 HA ASP 46 HA ASP 46 2.750 -15.722 -9.850 296 HB2 ASP 46 1HB ASP 46 4.676 -14.068 -10.432 297 HB3 ASP 46 2HB ASP 46 3.782 -13.011 -9.311 298 HA PRO 47 HA PRO 47 -0.555 -14.740 -7.169 299 HB2 PRO 47 1HB PRO 47 0.455 -17.047 -6.106 300 HB3 PRO 47 2HB PRO 47 -1.074 -16.643 -6.500 301 HG2 PRO 47 1HG PRO 47 0.747 -17.617 -8.090 302 HG3 PRO 47 2HG PRO 47 -0.838 -18.001 -8.080 303 HD2 PRO 47 1HD PRO 47 2.302 -16.895 -8.543 304 HD3 PRO 47 2HD PRO 47 0.815 -16.924 -9.214 305 H ARG 48 H ARG 48 2.705 -15.337 -6.384 306 HA ARG 48 HA ARG 48 2.601 -14.729 -3.582 307 HB2 ARG 48 1HB ARG 48 4.839 -14.538 -5.543 308 HB3 ARG 48 2HB ARG 48 4.988 -14.233 -3.797 309 HG2 ARG 48 1HG ARG 48 4.318 -16.521 -3.306 310 HG3 ARG 48 2HG ARG 48 4.055 -16.839 -5.038 311 HD2 ARG 48 1HD ARG 48 6.420 -16.505 -5.448 312 HD3 ARG 48 2HD ARG 48 6.673 -16.214 -3.711 313 HE ARG 48 HE ARG 48 5.600 -18.866 -3.926 314 HH11 ARG 48 1HH1 ARG 48 8.433 -17.193 -5.078 315 HH12 ARG 48 2HH1 ARG 48 9.347 -18.687 -5.020 316 HH21 ARG 48 1HH2 ARG 48 6.631 -20.588 -3.862 317 HH22 ARG 48 2HH2 ARG 48 8.320 -20.624 -4.327 318 H TYR 49 H TYR 49 2.575 -12.707 -6.417 319 HA TYR 49 HA TYR 49 2.720 -10.303 -4.622 320 HB2 TYR 49 1HB TYR 49 3.400 -10.594 -7.555 321 HB3 TYR 49 2HB TYR 49 3.371 -9.062 -6.647 322 HD1 TYR 49 HD2 TYR 49 4.914 -8.972 -4.533 323 HD2 TYR 49 HD1 TYR 49 5.409 -11.776 -7.707 324 HE1 TYR 49 HE2 TYR 49 7.262 -9.324 -3.842 325 HE2 TYR 49 HE1 TYR 49 7.764 -12.141 -7.029 326 HH TYR 49 HH TYR 49 9.211 -10.426 -4.256 327 H SER 50 H SER 50 0.385 -11.999 -5.209 328 HA SER 50 HA SER 50 -1.451 -10.784 -7.050 329 HB2 SER 50 1HB SER 50 -3.139 -11.795 -5.893 330 HB3 SER 50 2HB SER 50 -1.755 -12.904 -6.020 331 HG SER 50 HG SER 50 -2.460 -11.361 -3.745 332 H ALA 51 H ALA 51 -0.310 -9.830 -3.839 333 HA ALA 51 HA ALA 51 -2.338 -7.871 -3.307 334 HB1 ALA 51 3HB ALA 51 0.553 -7.989 -2.382 335 HB2 ALA 51 1HB ALA 51 -0.717 -6.956 -1.691 336 HB3 ALA 51 2HB ALA 51 -0.841 -8.725 -1.560 337 H LEU 52 H LEU 52 0.738 -7.744 -5.058 338 HA LEU 52 HA LEU 52 0.512 -4.878 -5.590 339 HB2 LEU 52 1HB LEU 52 2.082 -7.110 -6.690 340 HB3 LEU 52 2HB LEU 52 2.388 -5.466 -7.298 341 HG LEU 52 HG LEU 52 2.805 -6.473 -4.456 342 HD11 LEU 52 1HD1 LEU 52 5.216 -5.964 -4.929 343 HD12 LEU 52 2HD1 LEU 52 4.575 -7.173 -6.067 344 HD13 LEU 52 3HD1 LEU 52 4.774 -5.481 -6.583 345 HD21 LEU 52 3HD2 LEU 52 1.982 -4.192 -4.442 346 HD22 LEU 52 1HD2 LEU 52 3.702 -4.220 -3.984 347 HD23 LEU 52 2HD2 LEU 52 3.224 -3.705 -5.620 348 H ALA 53 H ALA 53 -0.394 -7.856 -7.244 349 HA ALA 53 HA ALA 53 -1.170 -6.714 -9.724 350 HB1 ALA 53 3HB ALA 53 -2.428 -9.022 -8.201 351 HB2 ALA 53 1HB ALA 53 -2.676 -8.654 -9.924 352 HB3 ALA 53 2HB ALA 53 -1.065 -9.135 -9.340 353 H LYS 54 H LYS 54 -2.961 -7.019 -6.664 354 HA LYS 54 HA LYS 54 -5.322 -5.653 -7.676 355 HB2 LYS 54 1HB LYS 54 -4.280 -6.161 -4.886 356 HB3 LYS 54 2HB LYS 54 -5.842 -5.392 -5.251 357 HG2 LYS 54 1HG LYS 54 -6.590 -7.433 -6.397 358 HG3 LYS 54 2HG LYS 54 -5.023 -8.204 -6.055 359 HD2 LYS 54 1HD LYS 54 -5.453 -7.957 -3.628 360 HD3 LYS 54 2HD LYS 54 -7.041 -7.245 -3.997 361 HE2 LYS 54 1HE LYS 54 -7.718 -9.315 -5.124 362 HE3 LYS 54 2HE LYS 54 -6.125 -10.029 -4.784 363 HZ1 LYS 54 3HZ LYS 54 -8.093 -9.182 -2.756 364 HZ2 LYS 54 1HZ LYS 54 -7.777 -10.740 -3.193 365 HZ3 LYS 54 2HZ LYS 54 -6.616 -9.844 -2.439 366 H LEU 55 H LEU 55 -2.408 -4.636 -5.930 367 HA LEU 55 HA LEU 55 -3.153 -1.964 -5.387 368 HB2 LEU 55 1HB LEU 55 -1.269 -3.017 -4.558 369 HB3 LEU 55 2HB LEU 55 -0.403 -3.118 -6.109 370 HG LEU 55 HG LEU 55 -0.470 -0.592 -6.197 371 HD11 LEU 55 1HD1 LEU 55 -0.838 0.594 -4.016 372 HD12 LEU 55 2HD1 LEU 55 -2.305 -0.267 -4.539 373 HD13 LEU 55 3HD1 LEU 55 -1.273 -0.958 -3.264 374 HD21 LEU 55 3HD2 LEU 55 1.547 -1.790 -5.586 375 HD22 LEU 55 1HD2 LEU 55 1.411 -0.299 -4.623 376 HD23 LEU 55 2HD2 LEU 55 1.019 -1.871 -3.887 377 H SER 56 H SER 56 -1.826 -3.367 -8.364 378 HA SER 56 HA SER 56 -1.443 -0.903 -9.827 379 HB2 SER 56 1HB SER 56 -1.167 -2.139 -11.676 380 HB3 SER 56 2HB SER 56 -0.467 -3.065 -10.330 381 HG SER 56 HG SER 56 -2.414 -4.297 -10.320 382 H GLU 57 H GLU 57 -4.281 -2.764 -8.969 383 HA GLU 57 HA GLU 57 -5.930 -1.423 -11.052 384 HB2 GLU 57 1HB GLU 57 -6.603 -3.491 -8.952 385 HB3 GLU 57 2HB GLU 57 -7.735 -2.835 -10.160 386 HG2 GLU 57 1HG GLU 57 -6.267 -3.844 -11.993 387 HG3 GLU 57 2HG GLU 57 -5.243 -4.411 -10.654 388 H LYS 58 H LYS 58 -5.074 -1.126 -7.728 389 HA LYS 58 HA LYS 58 -7.440 0.325 -6.877 390 HB2 LYS 58 1HB LYS 58 -4.615 0.189 -5.820 391 HB3 LYS 58 2HB LYS 58 -5.931 1.093 -5.035 392 HG2 LYS 58 1HG LYS 58 -7.202 -1.004 -4.762 393 HG3 LYS 58 2HG LYS 58 -5.870 -1.904 -5.527 394 HD2 LYS 58 1HD LYS 58 -4.349 -1.146 -3.723 395 HD3 LYS 58 2HD LYS 58 -5.715 -0.310 -2.945 396 HE2 LYS 58 1HE LYS 58 -6.902 -2.485 -2.774 397 HE3 LYS 58 2HE LYS 58 -5.471 -3.291 -3.457 398 HZ1 LYS 58 3HZ LYS 58 -5.537 -1.765 -0.933 399 HZ2 LYS 58 1HZ LYS 58 -5.498 -3.408 -1.058 400 HZ3 LYS 58 2HZ LYS 58 -4.210 -2.511 -1.565 401 H LYS 59 H LYS 59 -7.914 2.423 -6.799 402 HA LYS 59 HA LYS 59 -5.934 4.443 -7.619 403 HB2 LYS 59 1HB LYS 59 -6.818 3.511 -9.748 404 HB3 LYS 59 2HB LYS 59 -8.449 4.003 -9.232 405 HG2 LYS 59 1HG LYS 59 -7.782 6.346 -9.234 406 HG3 LYS 59 2HG LYS 59 -6.109 5.895 -9.640 407 HD2 LYS 59 1HD LYS 59 -6.908 4.914 -11.767 408 HD3 LYS 59 2HD LYS 59 -8.565 5.425 -11.365 409 HE2 LYS 59 1HE LYS 59 -7.835 7.770 -11.323 410 HE3 LYS 59 2HE LYS 59 -6.177 7.264 -11.716 411 HZ1 LYS 59 3HZ LYS 59 -8.543 6.870 -13.434 412 HZ2 LYS 59 1HZ LYS 59 -7.367 8.005 -13.666 413 HZ3 LYS 59 2HZ LYS 59 -7.004 6.401 -13.800 Start of MODEL 7 1 H1 TRP 11 H TRP 11 -1.470 -1.393 -0.202 2 HA TRP 11 HA TRP 11 0.629 0.392 1.003 3 HB2 TRP 11 1HB TRP 11 0.587 0.113 -1.958 4 HB3 TRP 11 2HB TRP 11 1.151 1.688 -1.349 5 HD1 TRP 11 HD1 TRP 11 2.424 -1.322 -2.410 6 HE1 TRP 11 HE1 TRP 11 4.852 -1.889 -1.366 7 HE3 TRP 11 HE3 TRP 11 2.352 1.988 1.446 8 HZ2 TRP 11 HZ2 TRP 11 6.339 -0.960 0.770 9 HZ3 TRP 11 HZ3 TRP 11 4.238 2.139 2.953 10 HH2 TRP 11 HH2 TRP 11 6.226 0.721 2.672 11 H ASN 12 H ASN 12 0.497 2.383 1.764 12 HA ASN 12 HA ASN 12 -1.969 3.915 1.080 13 HB2 ASN 12 1HB ASN 12 -0.099 4.371 3.525 14 HB3 ASN 12 2HB ASN 12 -1.479 5.214 2.783 15 HD21 ASN 12 2HD2 ASN 12 -0.913 3.673 5.379 16 HD22 ASN 12 1HD2 ASN 12 -2.297 2.644 5.542 17 H THR 13 H THR 13 1.055 3.726 -0.095 18 HA THR 13 HA THR 13 0.994 6.606 -0.894 19 HB THR 13 HB THR 13 3.496 5.077 -0.067 20 HG1 THR 13 HG1 THR 13 2.149 7.288 1.151 21 HG21 THR 13 3HG2 THR 13 3.094 7.950 -0.988 22 HG22 THR 13 1HG2 THR 13 4.628 7.242 -0.434 23 HG23 THR 13 2HG2 THR 13 3.867 6.655 -1.932 24 H LYS 14 H LYS 14 1.179 6.967 -2.962 25 HA LYS 14 HA LYS 14 1.154 4.770 -4.818 26 HB2 LYS 14 1HB LYS 14 1.585 7.738 -5.169 27 HB3 LYS 14 2HB LYS 14 1.474 6.584 -6.520 28 HG2 LYS 14 1HG LYS 14 -0.807 5.986 -5.837 29 HG3 LYS 14 2HG LYS 14 -0.699 7.111 -4.463 30 HD2 LYS 14 1HD LYS 14 -0.388 8.990 -6.037 31 HD3 LYS 14 2HD LYS 14 -0.530 7.857 -7.403 32 HE2 LYS 14 1HE LYS 14 -2.804 7.279 -6.712 33 HE3 LYS 14 2HE LYS 14 -2.667 8.365 -5.309 34 HZ1 LYS 14 3HZ LYS 14 -2.557 9.196 -8.138 35 HZ2 LYS 14 1HZ LYS 14 -3.844 9.404 -7.127 36 HZ3 LYS 14 2HZ LYS 14 -2.430 10.203 -6.838 37 H GLU 15 H GLU 15 3.708 7.040 -3.842 38 HA GLU 15 HA GLU 15 5.647 6.134 -5.759 39 HB2 GLU 15 1HB GLU 15 5.915 7.427 -3.043 40 HB3 GLU 15 2HB GLU 15 7.286 7.095 -4.128 41 HG2 GLU 15 1HG GLU 15 6.301 8.664 -5.838 42 HG3 GLU 15 2HG GLU 15 4.905 8.792 -4.744 43 H GLU 16 H GLU 16 4.877 5.069 -2.465 44 HA GLU 16 HA GLU 16 7.048 3.174 -2.283 45 HB2 GLU 16 1HB GLU 16 4.366 3.375 -0.915 46 HB3 GLU 16 2HB GLU 16 5.577 2.126 -0.535 47 HG2 GLU 16 1HG GLU 16 5.949 5.158 -0.143 48 HG3 GLU 16 2HG GLU 16 5.642 3.878 1.052 49 H ALA 17 H ALA 17 3.708 2.926 -3.448 50 HA ALA 17 HA ALA 17 3.788 0.113 -3.971 51 HB1 ALA 17 3HB ALA 17 2.207 2.305 -5.356 52 HB2 ALA 17 1HB ALA 17 1.892 0.559 -5.481 53 HB3 ALA 17 2HB ALA 17 1.693 1.388 -3.920 54 H LYS 18 H LYS 18 4.666 2.932 -5.948 55 HA LYS 18 HA LYS 18 5.278 1.489 -8.344 56 HB2 LYS 18 1HB LYS 18 6.341 4.065 -7.187 57 HB3 LYS 18 2HB LYS 18 6.796 3.443 -8.791 58 HG2 LYS 18 1HG LYS 18 4.467 3.569 -9.527 59 HG3 LYS 18 2HG LYS 18 3.972 4.131 -7.912 60 HD2 LYS 18 1HD LYS 18 5.401 6.130 -8.185 61 HD3 LYS 18 2HD LYS 18 5.849 5.575 -9.814 62 HE2 LYS 18 1HE LYS 18 3.489 5.679 -10.499 63 HE3 LYS 18 2HE LYS 18 3.044 6.240 -8.872 64 HZ1 LYS 18 3HZ LYS 18 4.810 7.670 -10.753 65 HZ2 LYS 18 1HZ LYS 18 3.245 8.067 -10.417 66 HZ3 LYS 18 2HZ LYS 18 4.397 8.190 -9.243 67 H GLN 19 H GLN 19 7.266 2.287 -5.510 68 HA GLN 19 HA GLN 19 9.694 1.127 -6.503 69 HB2 GLN 19 1HB GLN 19 9.523 2.601 -4.528 70 HB3 GLN 19 2HB GLN 19 8.657 1.307 -3.665 71 HG2 GLN 19 1HG GLN 19 11.121 1.046 -2.920 72 HG3 GLN 19 2HG GLN 19 10.462 -0.095 -4.116 73 HE21 GLN 19 2HE2 GLN 19 12.502 -0.649 -4.907 74 HE22 GLN 19 1HE2 GLN 19 13.448 0.437 -5.869 75 H ALA 20 H ALA 20 6.976 -0.269 -4.690 76 HA ALA 20 HA ALA 20 8.131 -2.879 -4.441 77 HB1 ALA 20 3HB ALA 20 5.213 -2.043 -4.547 78 HB2 ALA 20 1HB ALA 20 5.822 -3.621 -3.998 79 HB3 ALA 20 2HB ALA 20 6.221 -2.146 -3.085 80 H PHE 21 H PHE 21 6.217 -1.337 -6.982 81 HA PHE 21 HA PHE 21 5.842 -3.682 -8.601 82 HB2 PHE 21 1HB PHE 21 5.797 -0.705 -9.086 83 HB3 PHE 21 2HB PHE 21 5.812 -1.815 -10.474 84 HD1 PHE 21 HD2 PHE 21 4.064 -3.812 -10.238 85 HD2 PHE 21 HD1 PHE 21 3.782 0.000 -8.332 86 HE1 PHE 21 HE2 PHE 21 1.616 -4.093 -10.043 87 HE2 PHE 21 HE1 PHE 21 1.334 -0.278 -8.134 88 HZ PHE 21 HZ PHE 21 0.250 -2.325 -8.989 89 H LYS 22 H LYS 22 8.453 -1.275 -8.473 90 HA LYS 22 HA LYS 22 9.958 -2.413 -10.657 91 HB2 LYS 22 1HB LYS 22 10.765 -0.728 -8.284 92 HB3 LYS 22 2HB LYS 22 11.862 -1.185 -9.608 93 HG2 LYS 22 1HG LYS 22 10.447 0.012 -11.213 94 HG3 LYS 22 2HG LYS 22 9.314 0.442 -9.909 95 HD2 LYS 22 1HD LYS 22 11.136 1.673 -8.763 96 HD3 LYS 22 2HD LYS 22 12.225 1.286 -10.118 97 HE2 LYS 22 1HE LYS 22 10.739 2.489 -11.659 98 HE3 LYS 22 2HE LYS 22 9.643 2.870 -10.311 99 HZ1 LYS 22 3HZ LYS 22 12.445 3.764 -10.549 100 HZ2 LYS 22 1HZ LYS 22 11.113 4.703 -10.808 101 HZ3 LYS 22 2HZ LYS 22 11.429 4.118 -9.298 102 H GLU 23 H GLU 23 9.946 -2.989 -7.160 103 HA GLU 23 HA GLU 23 12.201 -4.772 -7.132 104 HB2 GLU 23 1HB GLU 23 9.772 -4.503 -5.365 105 HB3 GLU 23 2HB GLU 23 11.094 -5.652 -5.050 106 HG2 GLU 23 1HG GLU 23 12.694 -3.758 -4.747 107 HG3 GLU 23 2HG GLU 23 11.394 -2.694 -5.330 108 H ALA 24 H ALA 24 8.709 -5.380 -7.490 109 HA ALA 24 HA ALA 24 8.987 -8.225 -7.735 110 HB1 ALA 24 3HB ALA 24 6.831 -6.373 -8.809 111 HB2 ALA 24 1HB ALA 24 6.712 -8.144 -8.681 112 HB3 ALA 24 2HB ALA 24 6.844 -7.151 -7.209 113 H LEU 25 H LEU 25 8.956 -5.596 -10.124 114 HA LEU 25 HA LEU 25 9.067 -7.155 -12.481 115 HB2 LEU 25 1HB LEU 25 8.789 -4.825 -12.322 116 HB3 LEU 25 2HB LEU 25 10.485 -4.496 -11.897 117 HG LEU 25 HG LEU 25 9.652 -5.905 -14.453 118 HD11 LEU 25 1HD1 LEU 25 10.028 -3.709 -15.606 119 HD12 LEU 25 2HD1 LEU 25 8.695 -3.603 -14.432 120 HD13 LEU 25 3HD1 LEU 25 10.296 -2.942 -14.024 121 HD21 LEU 25 3HD2 LEU 25 11.934 -6.299 -13.738 122 HD22 LEU 25 1HD2 LEU 25 11.923 -5.281 -15.198 123 HD23 LEU 25 2HD2 LEU 25 12.225 -4.548 -13.603 124 H LYS 26 H LYS 26 11.732 -6.121 -10.356 125 HA LYS 26 HA LYS 26 13.764 -7.488 -11.911 126 HB2 LYS 26 1HB LYS 26 13.673 -6.520 -9.051 127 HB3 LYS 26 2HB LYS 26 15.111 -7.228 -9.826 128 HG2 LYS 26 1HG LYS 26 15.142 -5.406 -11.467 129 HG3 LYS 26 2HG LYS 26 13.680 -4.706 -10.732 130 HD2 LYS 26 1HD LYS 26 14.915 -4.424 -8.600 131 HD3 LYS 26 2HD LYS 26 16.380 -5.063 -9.385 132 HE2 LYS 26 1HE LYS 26 16.333 -3.215 -10.997 133 HE3 LYS 26 2HE LYS 26 14.857 -2.580 -10.234 134 HZ1 LYS 26 3HZ LYS 26 17.487 -2.837 -8.925 135 HZ2 LYS 26 1HZ LYS 26 16.820 -1.430 -9.468 136 HZ3 LYS 26 2HZ LYS 26 16.119 -2.248 -8.218 137 H GLU 27 H GLU 27 11.746 -8.387 -9.148 138 HA GLU 27 HA GLU 27 13.050 -10.874 -8.570 139 HB2 GLU 27 1HB GLU 27 11.442 -9.765 -7.086 140 HB3 GLU 27 2HB GLU 27 10.146 -10.094 -8.262 141 HG2 GLU 27 1HG GLU 27 9.977 -11.826 -6.508 142 HG3 GLU 27 2HG GLU 27 10.628 -12.477 -8.028 143 H LYS 28 H LYS 28 10.677 -9.962 -10.997 144 HA LYS 28 HA LYS 28 10.438 -12.806 -11.852 145 HB2 LYS 28 1HB LYS 28 9.087 -10.327 -12.926 146 HB3 LYS 28 2HB LYS 28 8.711 -12.017 -13.335 147 HG2 LYS 28 1HG LYS 28 8.471 -10.950 -10.514 148 HG3 LYS 28 2HG LYS 28 7.141 -10.818 -11.689 149 HD2 LYS 28 1HD LYS 28 6.628 -12.810 -10.605 150 HD3 LYS 28 2HD LYS 28 7.529 -13.377 -12.031 151 HE2 LYS 28 1HE LYS 28 9.529 -13.677 -10.752 152 HE3 LYS 28 2HE LYS 28 8.823 -12.852 -9.344 153 HZ1 LYS 28 3HZ LYS 28 7.914 -15.431 -10.452 154 HZ2 LYS 28 1HZ LYS 28 8.805 -15.238 -9.076 155 HZ3 LYS 28 2HZ LYS 28 7.259 -14.666 -9.146 156 H ARG 29 H ARG 29 12.756 -10.697 -12.203 157 HA ARG 29 HA ARG 29 14.195 -10.045 -13.946 158 HB2 ARG 29 1HB ARG 29 13.772 -12.940 -14.535 159 HB3 ARG 29 2HB ARG 29 15.045 -11.909 -15.228 160 HG2 ARG 29 1HG ARG 29 15.894 -11.489 -12.925 161 HG3 ARG 29 2HG ARG 29 14.681 -12.635 -12.305 162 HD2 ARG 29 1HD ARG 29 15.708 -14.392 -13.663 163 HD3 ARG 29 2HD ARG 29 16.964 -13.232 -14.157 164 HE ARG 29 HE ARG 29 17.067 -13.429 -11.277 165 HH11 ARG 29 1HH1 ARG 29 17.609 -15.499 -14.030 166 HH12 ARG 29 2HH1 ARG 29 18.802 -16.405 -13.121 167 HH21 ARG 29 1HH2 ARG 29 18.425 -14.462 -10.220 168 HH22 ARG 29 2HH2 ARG 29 19.267 -15.815 -10.947 169 H VAL 30 H VAL 30 11.929 -8.937 -14.609 170 HA VAL 30 HA VAL 30 10.929 -9.798 -17.232 171 HB VAL 30 HB VAL 30 10.656 -7.138 -15.770 172 HG11 VAL 30 1HG1 VAL 30 8.756 -6.774 -17.311 173 HG12 VAL 30 2HG1 VAL 30 10.282 -6.962 -18.208 174 HG13 VAL 30 3HG1 VAL 30 9.125 -8.312 -18.127 175 HG21 VAL 30 3HG2 VAL 30 9.709 -8.955 -14.478 176 HG22 VAL 30 1HG2 VAL 30 8.426 -7.926 -15.155 177 HG23 VAL 30 2HG2 VAL 30 8.783 -9.505 -15.894 178 HA PRO 31 HA PRO 31 14.295 -8.497 -19.532 179 HB2 PRO 31 1HB PRO 31 12.380 -8.718 -21.466 180 HB3 PRO 31 2HB PRO 31 13.866 -9.379 -21.367 181 HG2 PRO 31 1HG PRO 31 11.664 -10.315 -20.332 182 HG3 PRO 31 2HG PRO 31 12.849 -11.183 -21.042 183 HD2 PRO 31 1HD PRO 31 10.653 -9.603 -19.081 184 HD3 PRO 31 2HD PRO 31 11.879 -10.679 -19.062 185 H SER 32 H SER 32 15.154 -6.628 -20.353 186 HA SER 32 HA SER 32 13.762 -4.149 -19.821 187 HB2 SER 32 1HB SER 32 15.537 -3.072 -20.772 188 HB3 SER 32 2HB SER 32 16.124 -4.409 -19.757 189 HG SER 32 HG SER 32 15.896 -4.430 -22.585 190 H ASN 33 H ASN 33 13.718 -6.375 -22.504 191 HA ASN 33 HA ASN 33 12.788 -4.349 -24.444 192 HB2 ASN 33 1HB ASN 33 13.060 -7.417 -24.889 193 HB3 ASN 33 2HB ASN 33 12.433 -6.035 -25.818 194 HD21 ASN 33 2HD2 ASN 33 14.747 -7.942 -26.144 195 HD22 ASN 33 1HD2 ASN 33 16.111 -6.914 -26.433 196 H ALA 34 H ALA 34 11.411 -6.195 -21.976 197 HA ALA 34 HA ALA 34 8.815 -6.577 -23.250 198 HB1 ALA 34 3HB ALA 34 9.642 -6.717 -20.329 199 HB2 ALA 34 1HB ALA 34 8.079 -7.245 -20.994 200 HB3 ALA 34 2HB ALA 34 9.576 -8.083 -21.468 201 H SER 35 H SER 35 6.923 -5.481 -22.930 202 HA SER 35 HA SER 35 7.136 -2.580 -22.589 203 HB2 SER 35 1HB SER 35 4.934 -2.466 -23.091 204 HB3 SER 35 2HB SER 35 5.684 -3.674 -24.159 205 HG SER 35 HG SER 35 3.671 -4.364 -23.317 206 H TRP 36 H TRP 36 5.683 -1.400 -21.118 207 HA TRP 36 HA TRP 36 6.046 -2.061 -18.364 208 HB2 TRP 36 1HB TRP 36 5.601 0.248 -19.154 209 HB3 TRP 36 2HB TRP 36 3.960 -0.237 -19.639 210 HD1 TRP 36 HD1 TRP 36 6.098 0.362 -16.654 211 HE1 TRP 36 HE1 TRP 36 4.523 0.814 -14.505 212 HE3 TRP 36 HE3 TRP 36 1.613 -0.712 -18.794 213 HZ2 TRP 36 HZ2 TRP 36 1.810 0.685 -13.993 214 HZ3 TRP 36 HZ3 TRP 36 -0.420 -0.552 -17.496 215 HH2 TRP 36 HH2 TRP 36 -0.391 0.132 -15.136 216 H GLU 37 H GLU 37 3.210 -2.471 -20.484 217 HA GLU 37 HA GLU 37 1.508 -3.613 -18.483 218 HB2 GLU 37 1HB GLU 37 1.619 -3.934 -21.482 219 HB3 GLU 37 2HB GLU 37 0.344 -4.635 -20.455 220 HG2 GLU 37 1HG GLU 37 -0.359 -2.315 -19.765 221 HG3 GLU 37 2HG GLU 37 1.044 -1.739 -20.694 222 H GLN 38 H GLN 38 3.834 -5.096 -20.719 223 HA GLN 38 HA GLN 38 3.282 -7.812 -20.021 224 HB2 GLN 38 1HB GLN 38 4.660 -7.064 -21.937 225 HB3 GLN 38 2HB GLN 38 5.915 -6.535 -20.792 226 HG2 GLN 38 1HG GLN 38 6.665 -8.901 -21.510 227 HG3 GLN 38 2HG GLN 38 5.905 -8.698 -19.913 228 HE21 GLN 38 2HE2 GLN 38 5.287 -10.859 -19.767 229 HE22 GLN 38 1HE2 GLN 38 4.019 -11.531 -20.739 230 H ALA 39 H ALA 39 5.496 -5.436 -18.576 231 HA ALA 39 HA ALA 39 6.589 -7.194 -16.612 232 HB1 ALA 39 3HB ALA 39 6.132 -4.193 -16.481 233 HB2 ALA 39 1HB ALA 39 7.186 -5.133 -15.401 234 HB3 ALA 39 2HB ALA 39 7.573 -5.007 -17.133 235 H MET 40 H MET 40 3.705 -5.114 -16.567 236 HA MET 40 HA MET 40 2.993 -5.642 -13.832 237 HB2 MET 40 1HB MET 40 1.325 -4.911 -16.238 238 HB3 MET 40 2HB MET 40 0.730 -4.950 -14.560 239 HG2 MET 40 1HG MET 40 2.917 -3.151 -15.651 240 HG3 MET 40 2HG MET 40 1.249 -2.659 -15.274 241 HE1 MET 40 3HE MET 40 4.692 -2.346 -14.132 242 HE2 MET 40 1HE MET 40 4.780 -2.900 -12.443 243 HE3 MET 40 2HE MET 40 4.613 -4.086 -13.761 244 H LYS 41 H LYS 41 2.303 -7.341 -16.853 245 HA LYS 41 HA LYS 41 0.407 -9.193 -15.700 246 HB2 LYS 41 1HB LYS 41 2.182 -9.296 -18.139 247 HB3 LYS 41 2HB LYS 41 1.037 -10.587 -17.701 248 HG2 LYS 41 1HG LYS 41 -0.832 -9.006 -17.879 249 HG3 LYS 41 2HG LYS 41 0.303 -7.697 -18.284 250 HD2 LYS 41 1HD LYS 41 1.002 -8.944 -20.302 251 HD3 LYS 41 2HD LYS 41 -0.169 -10.224 -19.903 252 HE2 LYS 41 1HE LYS 41 -2.005 -8.595 -20.071 253 HE3 LYS 41 2HE LYS 41 -0.834 -7.318 -20.475 254 HZ1 LYS 41 3HZ LYS 41 -1.349 -9.742 -22.076 255 HZ2 LYS 41 1HZ LYS 41 -1.878 -8.222 -22.439 256 HZ3 LYS 41 2HZ LYS 41 -0.263 -8.558 -22.452 257 H MET 42 H MET 42 3.923 -9.317 -16.207 258 HA MET 42 HA MET 42 4.307 -11.985 -15.253 259 HB2 MET 42 1HB MET 42 6.052 -9.530 -15.225 260 HB3 MET 42 2HB MET 42 6.600 -11.129 -14.666 261 HG2 MET 42 1HG MET 42 5.598 -10.492 -17.459 262 HG3 MET 42 2HG MET 42 7.311 -10.609 -16.990 263 HE1 MET 42 3HE MET 42 7.410 -13.021 -14.997 264 HE2 MET 42 1HE MET 42 7.713 -14.385 -16.099 265 HE3 MET 42 2HE MET 42 8.539 -12.830 -16.360 266 H ILE 43 H ILE 43 3.947 -8.918 -13.549 267 HA ILE 43 HA ILE 43 4.569 -10.091 -10.931 268 HB ILE 43 HB ILE 43 3.222 -7.473 -11.740 269 HG12 ILE 43 1HG1 ILE 43 5.974 -7.951 -10.635 270 HG13 ILE 43 2HG1 ILE 43 5.599 -7.794 -12.367 271 HG21 ILE 43 1HG2 ILE 43 3.568 -6.803 -9.386 272 HG22 ILE 43 2HG2 ILE 43 2.494 -8.217 -9.497 273 HG23 ILE 43 3HG2 ILE 43 4.194 -8.428 -9.014 274 HD11 ILE 43 3HD1 ILE 43 5.111 -5.676 -10.244 275 HD12 ILE 43 1HD1 ILE 43 6.425 -5.667 -11.442 276 HD13 ILE 43 2HD1 ILE 43 4.734 -5.520 -11.975 277 H ILE 44 H ILE 44 1.586 -9.216 -12.646 278 HA ILE 44 HA ILE 44 -0.196 -9.929 -10.515 279 HB ILE 44 HB ILE 44 -0.545 -9.944 -13.545 280 HG12 ILE 44 1HG1 ILE 44 -1.683 -8.066 -11.499 281 HG13 ILE 44 2HG1 ILE 44 -0.130 -7.800 -12.327 282 HG21 ILE 44 1HG2 ILE 44 -2.969 -10.120 -13.101 283 HG22 ILE 44 2HG2 ILE 44 -2.104 -11.555 -12.502 284 HG23 ILE 44 3HG2 ILE 44 -2.639 -10.298 -11.361 285 HD11 ILE 44 3HD1 ILE 44 -2.841 -8.067 -13.675 286 HD12 ILE 44 1HD1 ILE 44 -1.948 -6.550 -13.423 287 HD13 ILE 44 2HD1 ILE 44 -1.289 -7.802 -14.502 288 H ASN 45 H ASN 45 1.314 -11.901 -13.020 289 HA ASN 45 HA ASN 45 -0.286 -14.242 -12.525 290 HB2 ASN 45 1HB ASN 45 2.533 -14.120 -13.840 291 HB3 ASN 45 2HB ASN 45 1.400 -15.420 -13.398 292 HD21 ASN 45 2HD2 ASN 45 2.423 -14.427 -16.007 293 HD22 ASN 45 1HD2 ASN 45 1.008 -14.107 -16.953 294 H ASP 46 H ASP 46 2.299 -12.791 -10.770 295 HA ASP 46 HA ASP 46 2.899 -15.311 -9.315 296 HB2 ASP 46 1HB ASP 46 4.766 -13.626 -9.986 297 HB3 ASP 46 2HB ASP 46 3.861 -12.556 -8.887 298 HA PRO 47 HA PRO 47 -0.351 -14.386 -6.567 299 HB2 PRO 47 1HB PRO 47 0.839 -16.556 -5.407 300 HB3 PRO 47 2HB PRO 47 -0.723 -16.277 -5.773 301 HG2 PRO 47 1HG PRO 47 1.111 -17.221 -7.365 302 HG3 PRO 47 2HG PRO 47 -0.444 -17.705 -7.280 303 HD2 PRO 47 1HD PRO 47 2.606 -16.428 -7.903 304 HD3 PRO 47 2HD PRO 47 1.106 -16.593 -8.525 305 H ARG 48 H ARG 48 2.961 -14.733 -5.844 306 HA ARG 48 HA ARG 48 2.883 -13.913 -3.090 307 HB2 ARG 48 1HB ARG 48 5.064 -13.781 -5.118 308 HB3 ARG 48 2HB ARG 48 5.236 -13.312 -3.411 309 HG2 ARG 48 1HG ARG 48 4.690 -15.579 -2.703 310 HG3 ARG 48 2HG ARG 48 4.422 -16.064 -4.394 311 HD2 ARG 48 1HD ARG 48 6.762 -15.636 -4.873 312 HD3 ARG 48 2HD ARG 48 7.020 -15.190 -3.170 313 HE ARG 48 HE ARG 48 6.096 -17.894 -3.119 314 HH11 ARG 48 1HH1 ARG 48 8.782 -16.211 -4.573 315 HH12 ARG 48 2HH1 ARG 48 9.768 -17.654 -4.437 316 HH21 ARG 48 1HH2 ARG 48 7.211 -19.557 -2.962 317 HH22 ARG 48 2HH2 ARG 48 8.873 -19.562 -3.519 318 H TYR 49 H TYR 49 2.630 -12.145 -6.069 319 HA TYR 49 HA TYR 49 2.705 -9.594 -4.486 320 HB2 TYR 49 1HB TYR 49 3.234 -10.074 -7.426 321 HB3 TYR 49 2HB TYR 49 3.180 -8.485 -6.624 322 HD1 TYR 49 HD2 TYR 49 4.842 -8.175 -4.621 323 HD2 TYR 49 HD1 TYR 49 5.291 -11.163 -7.631 324 HE1 TYR 49 HE2 TYR 49 7.242 -8.364 -4.060 325 HE2 TYR 49 HE1 TYR 49 7.698 -11.365 -7.083 326 HH TYR 49 HH TYR 49 9.219 -9.395 -4.527 327 H SER 50 H SER 50 0.446 -11.367 -4.643 328 HA SER 50 HA SER 50 -1.584 -10.560 -6.494 329 HB2 SER 50 1HB SER 50 -3.129 -11.374 -5.021 330 HB3 SER 50 2HB SER 50 -1.717 -12.453 -5.065 331 HG SER 50 HG SER 50 -2.288 -10.527 -3.061 332 H ALA 51 H ALA 51 -0.215 -8.976 -3.646 333 HA ALA 51 HA ALA 51 -2.266 -6.998 -3.311 334 HB1 ALA 51 3HB ALA 51 0.701 -6.861 -2.672 335 HB2 ALA 51 1HB ALA 51 -0.545 -5.741 -2.074 336 HB3 ALA 51 2HB ALA 51 -0.580 -7.452 -1.587 337 H LEU 52 H LEU 52 0.767 -7.002 -5.186 338 HA LEU 52 HA LEU 52 0.394 -4.345 -6.253 339 HB2 LEU 52 1HB LEU 52 1.866 -6.755 -7.061 340 HB3 LEU 52 2HB LEU 52 2.063 -5.289 -8.049 341 HG LEU 52 HG LEU 52 2.801 -5.611 -5.114 342 HD11 LEU 52 1HD1 LEU 52 5.147 -5.293 -5.944 343 HD12 LEU 52 2HD1 LEU 52 4.390 -6.726 -6.678 344 HD13 LEU 52 3HD1 LEU 52 4.530 -5.216 -7.611 345 HD21 LEU 52 3HD2 LEU 52 1.981 -3.375 -5.572 346 HD22 LEU 52 1HD2 LEU 52 3.740 -3.334 -5.303 347 HD23 LEU 52 2HD2 LEU 52 3.090 -3.222 -6.956 348 H ALA 53 H ALA 53 -0.666 -7.545 -7.282 349 HA ALA 53 HA ALA 53 -1.590 -6.884 -9.867 350 HB1 ALA 53 3HB ALA 53 -2.813 -8.793 -7.845 351 HB2 ALA 53 1HB ALA 53 -3.155 -8.768 -9.591 352 HB3 ALA 53 2HB ALA 53 -1.525 -9.182 -9.010 353 H LYS 54 H LYS 54 -2.966 -6.184 -6.713 354 HA LYS 54 HA LYS 54 -5.436 -5.093 -7.937 355 HB2 LYS 54 1HB LYS 54 -4.454 -5.175 -5.079 356 HB3 LYS 54 2HB LYS 54 -6.035 -4.556 -5.616 357 HG2 LYS 54 1HG LYS 54 -6.622 -6.802 -6.454 358 HG3 LYS 54 2HG LYS 54 -5.050 -7.417 -5.891 359 HD2 LYS 54 1HD LYS 54 -5.647 -6.790 -3.575 360 HD3 LYS 54 2HD LYS 54 -7.231 -6.216 -4.150 361 HE2 LYS 54 1HE LYS 54 -7.789 -8.464 -4.924 362 HE3 LYS 54 2HE LYS 54 -6.187 -9.052 -4.423 363 HZ1 LYS 54 3HZ LYS 54 -8.256 -7.971 -2.621 364 HZ2 LYS 54 1HZ LYS 54 -7.873 -9.566 -2.791 365 HZ3 LYS 54 2HZ LYS 54 -6.771 -8.516 -2.155 366 H LEU 55 H LEU 55 -2.455 -3.966 -6.410 367 HA LEU 55 HA LEU 55 -3.227 -1.190 -6.297 368 HB2 LEU 55 1HB LEU 55 -0.682 -2.655 -6.431 369 HB3 LEU 55 2HB LEU 55 -0.626 -0.891 -6.215 370 HG LEU 55 HG LEU 55 -1.877 -2.905 -4.307 371 HD11 LEU 55 1HD1 LEU 55 -0.035 -2.190 -2.759 372 HD12 LEU 55 2HD1 LEU 55 0.616 -2.899 -4.255 373 HD13 LEU 55 3HD1 LEU 55 0.608 -1.133 -4.038 374 HD21 LEU 55 3HD2 LEU 55 -3.114 -0.820 -4.333 375 HD22 LEU 55 1HD2 LEU 55 -2.212 -0.971 -2.806 376 HD23 LEU 55 2HD2 LEU 55 -1.615 0.108 -4.091 377 H SER 56 H SER 56 -2.310 -3.239 -8.891 378 HA SER 56 HA SER 56 -1.183 -1.361 -10.764 379 HB2 SER 56 1HB SER 56 -1.603 -2.850 -12.390 380 HB3 SER 56 2HB SER 56 -1.166 -3.776 -10.936 381 HG SER 56 HG SER 56 -3.261 -4.381 -10.695 382 H GLU 57 H GLU 57 -4.407 -1.768 -9.482 383 HA GLU 57 HA GLU 57 -5.444 0.148 -11.549 384 HB2 GLU 57 1HB GLU 57 -6.896 -1.922 -9.893 385 HB3 GLU 57 2HB GLU 57 -7.677 -0.716 -10.942 386 HG2 GLU 57 1HG GLU 57 -6.549 -1.783 -12.949 387 HG3 GLU 57 2HG GLU 57 -5.771 -2.864 -11.771 388 H LYS 58 H LYS 58 -5.119 -0.590 -8.136 389 HA LYS 58 HA LYS 58 -6.836 1.583 -7.240 390 HB2 LYS 58 1HB LYS 58 -4.670 -0.014 -5.865 391 HB3 LYS 58 2HB LYS 58 -5.707 1.188 -5.061 392 HG2 LYS 58 1HG LYS 58 -7.694 -0.156 -5.600 393 HG3 LYS 58 2HG LYS 58 -6.666 -1.353 -6.423 394 HD2 LYS 58 1HD LYS 58 -5.492 -1.808 -4.310 395 HD3 LYS 58 2HD LYS 58 -6.505 -0.600 -3.484 396 HE2 LYS 58 1HE LYS 58 -8.514 -1.920 -4.049 397 HE3 LYS 58 2HE LYS 58 -7.481 -3.139 -4.830 398 HZ1 LYS 58 3HZ LYS 58 -7.396 -2.395 -1.976 399 HZ2 LYS 58 1HZ LYS 58 -8.065 -3.773 -2.589 400 HZ3 LYS 58 2HZ LYS 58 -6.438 -3.524 -2.701 401 H LYS 59 H LYS 59 -3.515 1.324 -8.241 402 HA LYS 59 HA LYS 59 -3.039 4.127 -7.285 403 HB2 LYS 59 1HB LYS 59 -1.055 2.004 -8.111 404 HB3 LYS 59 2HB LYS 59 -0.677 3.634 -7.506 405 HG2 LYS 59 1HG LYS 59 -2.143 1.510 -5.907 406 HG3 LYS 59 2HG LYS 59 -0.391 1.803 -5.808 407 HD2 LYS 59 1HD LYS 59 -0.829 4.136 -5.123 408 HD3 LYS 59 2HD LYS 59 -2.579 3.818 -5.193 409 HE2 LYS 59 1HE LYS 59 -2.298 2.052 -3.478 410 HE3 LYS 59 2HE LYS 59 -0.569 2.453 -3.375 411 HZ1 LYS 59 3HZ LYS 59 -2.795 4.287 -2.750 412 HZ2 LYS 59 1HZ LYS 59 -1.836 3.530 -1.642 413 HZ3 LYS 59 2HZ LYS 59 -1.190 4.660 -2.655 Start of MODEL 8 1 H1 TRP 11 H TRP 11 3.813 1.490 0.940 2 HA TRP 11 HA TRP 11 3.141 2.159 -1.915 3 HB2 TRP 11 1HB TRP 11 1.018 0.179 -1.113 4 HB3 TRP 11 2HB TRP 11 1.846 0.388 -2.674 5 HD1 TRP 11 HD1 TRP 11 4.558 0.322 -0.623 6 HE1 TRP 11 HE1 TRP 11 5.598 -2.147 -0.263 7 HE3 TRP 11 HE3 TRP 11 0.543 -2.394 -2.153 8 HZ2 TRP 11 HZ2 TRP 11 4.694 -4.734 -0.625 9 HZ3 TRP 11 HZ3 TRP 11 0.637 -4.810 -2.146 10 HH2 TRP 11 HH2 TRP 11 2.645 -6.017 -1.404 11 H ASN 12 H ASN 12 2.363 3.630 0.570 12 HA ASN 12 HA ASN 12 -0.511 4.140 0.259 13 HB2 ASN 12 1HB ASN 12 1.515 5.695 2.039 14 HB3 ASN 12 2HB ASN 12 -0.209 5.853 1.622 15 HD21 ASN 12 2HD2 ASN 12 1.236 5.273 4.166 16 HD22 ASN 12 1HD2 ASN 12 0.503 3.827 4.775 17 H THR 13 H THR 13 2.484 5.542 -0.906 18 HA THR 13 HA THR 13 0.883 7.686 -2.260 19 HB THR 13 HB THR 13 2.938 8.937 -2.492 20 HG1 THR 13 HG1 THR 13 4.917 8.024 -1.677 21 HG21 THR 13 3HG2 THR 13 2.781 7.746 0.306 22 HG22 THR 13 1HG2 THR 13 3.580 9.275 -0.131 23 HG23 THR 13 2HG2 THR 13 1.815 9.113 -0.297 24 H LYS 14 H LYS 14 1.823 8.388 -4.387 25 HA LYS 14 HA LYS 14 1.704 6.172 -6.222 26 HB2 LYS 14 1HB LYS 14 2.582 9.042 -6.537 27 HB3 LYS 14 2HB LYS 14 2.469 7.884 -7.883 28 HG2 LYS 14 1HG LYS 14 0.059 7.616 -7.454 29 HG3 LYS 14 2HG LYS 14 0.170 8.775 -6.108 30 HD2 LYS 14 1HD LYS 14 0.915 10.523 -7.683 31 HD3 LYS 14 2HD LYS 14 0.780 9.363 -9.026 32 HE2 LYS 14 1HE LYS 14 -1.620 9.121 -8.592 33 HE3 LYS 14 2HE LYS 14 -1.495 10.253 -7.226 34 HZ1 LYS 14 3HZ LYS 14 -0.946 10.906 -10.050 35 HZ2 LYS 14 1HZ LYS 14 -2.299 11.339 -9.210 36 HZ3 LYS 14 2HZ LYS 14 -0.830 11.957 -8.783 37 H GLU 15 H GLU 15 4.385 7.964 -4.786 38 HA GLU 15 HA GLU 15 6.429 6.768 -6.451 39 HB2 GLU 15 1HB GLU 15 6.493 8.057 -3.721 40 HB3 GLU 15 2HB GLU 15 7.940 7.491 -4.591 41 HG2 GLU 15 1HG GLU 15 7.475 9.162 -6.423 42 HG3 GLU 15 2HG GLU 15 5.975 9.534 -5.542 43 H GLU 16 H GLU 16 5.096 5.951 -3.257 44 HA GLU 16 HA GLU 16 6.858 3.701 -2.829 45 HB2 GLU 16 1HB GLU 16 4.145 4.438 -1.730 46 HB3 GLU 16 2HB GLU 16 5.063 3.002 -1.214 47 HG2 GLU 16 1HG GLU 16 6.930 4.558 -0.422 48 HG3 GLU 16 2HG GLU 16 5.878 5.870 -1.002 49 H ALA 17 H ALA 17 3.707 4.061 -4.389 50 HA ALA 17 HA ALA 17 3.231 1.253 -4.734 51 HB1 ALA 17 3HB ALA 17 2.273 3.613 -6.389 52 HB2 ALA 17 1HB ALA 17 1.614 1.963 -6.452 53 HB3 ALA 17 2HB ALA 17 1.453 2.928 -4.967 54 H LYS 18 H LYS 18 4.789 3.692 -6.809 55 HA LYS 18 HA LYS 18 5.335 1.884 -8.987 56 HB2 LYS 18 1HB LYS 18 6.608 4.464 -8.077 57 HB3 LYS 18 2HB LYS 18 7.110 3.583 -9.540 58 HG2 LYS 18 1HG LYS 18 4.871 3.852 -10.494 59 HG3 LYS 18 2HG LYS 18 4.326 4.683 -9.017 60 HD2 LYS 18 1HD LYS 18 6.002 6.460 -9.419 61 HD3 LYS 18 2HD LYS 18 6.498 5.636 -10.916 62 HE2 LYS 18 1HE LYS 18 4.231 5.905 -11.821 63 HE3 LYS 18 2HE LYS 18 3.726 6.717 -10.322 64 HZ1 LYS 18 3HZ LYS 18 5.787 7.697 -12.192 65 HZ2 LYS 18 1HZ LYS 18 4.256 8.295 -12.053 66 HZ3 LYS 18 2HZ LYS 18 5.318 8.451 -10.801 67 H GLN 19 H GLN 19 7.131 2.753 -6.063 68 HA GLN 19 HA GLN 19 9.531 1.324 -6.758 69 HB2 GLN 19 1HB GLN 19 9.344 3.023 -4.966 70 HB3 GLN 19 2HB GLN 19 8.335 1.889 -4.037 71 HG2 GLN 19 1HG GLN 19 10.728 1.552 -3.104 72 HG3 GLN 19 2HG GLN 19 10.053 0.331 -4.209 73 HE21 GLN 19 2HE2 GLN 19 12.115 -0.436 -4.761 74 HE22 GLN 19 1HE2 GLN 19 13.185 0.462 -5.787 75 H ALA 20 H ALA 20 6.622 0.363 -4.946 76 HA ALA 20 HA ALA 20 7.558 -2.288 -4.372 77 HB1 ALA 20 3HB ALA 20 4.721 -1.232 -4.629 78 HB2 ALA 20 1HB ALA 20 5.191 -2.782 -3.895 79 HB3 ALA 20 2HB ALA 20 5.703 -1.252 -3.145 80 H PHE 21 H PHE 21 5.741 -0.909 -7.084 81 HA PHE 21 HA PHE 21 5.238 -3.364 -8.469 82 HB2 PHE 21 1HB PHE 21 4.179 -1.201 -9.090 83 HB3 PHE 21 2HB PHE 21 5.761 -0.590 -9.623 84 HD1 PHE 21 HD1 PHE 21 2.977 -2.835 -10.374 85 HD2 PHE 21 HD2 PHE 21 6.773 -1.356 -11.658 86 HE1 PHE 21 HE1 PHE 21 2.565 -3.747 -12.634 87 HE2 PHE 21 HE2 PHE 21 6.365 -2.263 -13.921 88 HZ PHE 21 HZ PHE 21 4.260 -3.461 -14.408 89 H LYS 22 H LYS 22 7.980 -1.093 -8.707 90 HA LYS 22 HA LYS 22 9.392 -2.651 -10.678 91 HB2 LYS 22 1HB LYS 22 10.290 -0.593 -8.661 92 HB3 LYS 22 2HB LYS 22 11.368 -1.334 -9.868 93 HG2 LYS 22 1HG LYS 22 10.000 -0.414 -11.681 94 HG3 LYS 22 2HG LYS 22 8.881 0.294 -10.492 95 HD2 LYS 22 1HD LYS 22 10.725 1.671 -9.592 96 HD3 LYS 22 2HD LYS 22 11.823 0.980 -10.809 97 HE2 LYS 22 1HE LYS 22 10.421 1.897 -12.603 98 HE3 LYS 22 2HE LYS 22 9.310 2.578 -11.393 99 HZ1 LYS 22 3HZ LYS 22 12.149 3.313 -11.721 100 HZ2 LYS 22 1HZ LYS 22 10.861 4.223 -12.204 101 HZ3 LYS 22 2HZ LYS 22 11.120 3.945 -10.598 102 H GLU 23 H GLU 23 9.231 -2.786 -7.176 103 HA GLU 23 HA GLU 23 11.485 -4.502 -6.746 104 HB2 GLU 23 1HB GLU 23 10.253 -3.328 -4.972 105 HB3 GLU 23 2HB GLU 23 8.847 -4.375 -5.274 106 HG2 GLU 23 1HG GLU 23 10.272 -6.381 -4.575 107 HG3 GLU 23 2HG GLU 23 11.563 -5.183 -4.326 108 H ALA 24 H ALA 24 8.031 -5.353 -7.147 109 HA ALA 24 HA ALA 24 8.542 -8.169 -7.330 110 HB1 ALA 24 3HB ALA 24 6.218 -6.532 -8.403 111 HB2 ALA 24 1HB ALA 24 6.251 -8.302 -8.230 112 HB3 ALA 24 2HB ALA 24 6.326 -7.265 -6.786 113 H LEU 25 H LEU 25 8.434 -5.579 -9.728 114 HA LEU 25 HA LEU 25 8.508 -7.115 -12.096 115 HB2 LEU 25 1HB LEU 25 8.290 -4.778 -11.908 116 HB3 LEU 25 2HB LEU 25 9.997 -4.500 -11.496 117 HG LEU 25 HG LEU 25 9.175 -5.912 -14.043 118 HD11 LEU 25 1HD1 LEU 25 9.420 -3.709 -15.219 119 HD12 LEU 25 2HD1 LEU 25 8.089 -3.668 -14.039 120 HD13 LEU 25 3HD1 LEU 25 9.653 -2.913 -13.645 121 HD21 LEU 25 3HD2 LEU 25 11.481 -6.168 -13.338 122 HD22 LEU 25 1HD2 LEU 25 11.403 -5.167 -14.808 123 HD23 LEU 25 2HD2 LEU 25 11.672 -4.403 -13.222 124 H LYS 26 H LYS 26 11.278 -6.022 -10.122 125 HA LYS 26 HA LYS 26 13.212 -7.492 -11.694 126 HB2 LYS 26 1HB LYS 26 13.281 -6.384 -8.885 127 HB3 LYS 26 2HB LYS 26 14.673 -7.131 -9.704 128 HG2 LYS 26 1HG LYS 26 14.610 -5.392 -11.431 129 HG3 LYS 26 2HG LYS 26 13.192 -4.653 -10.649 130 HD2 LYS 26 1HD LYS 26 14.548 -4.277 -8.606 131 HD3 LYS 26 2HD LYS 26 15.966 -4.946 -9.448 132 HE2 LYS 26 1HE LYS 26 15.816 -3.173 -11.132 133 HE3 LYS 26 2HE LYS 26 14.381 -2.510 -10.317 134 HZ1 LYS 26 3HZ LYS 26 17.083 -2.696 -9.149 135 HZ2 LYS 26 1HZ LYS 26 16.377 -1.317 -9.714 136 HZ3 LYS 26 2HZ LYS 26 15.753 -2.081 -8.391 137 H GLU 27 H GLU 27 11.409 -8.223 -8.727 138 HA GLU 27 HA GLU 27 12.761 -10.742 -8.251 139 HB2 GLU 27 1HB GLU 27 10.114 -9.604 -7.351 140 HB3 GLU 27 2HB GLU 27 10.730 -11.195 -6.838 141 HG2 GLU 27 1HG GLU 27 12.704 -10.058 -5.746 142 HG3 GLU 27 2HG GLU 27 12.061 -8.549 -6.433 143 H LYS 28 H LYS 28 10.316 -9.747 -10.456 144 HA LYS 28 HA LYS 28 9.447 -12.552 -10.930 145 HB2 LYS 28 1HB LYS 28 7.771 -10.770 -10.882 146 HB3 LYS 28 2HB LYS 28 8.617 -9.942 -12.210 147 HG2 LYS 28 1HG LYS 28 6.793 -11.057 -13.228 148 HG3 LYS 28 2HG LYS 28 8.225 -12.053 -13.587 149 HD2 LYS 28 1HD LYS 28 6.629 -12.655 -11.121 150 HD3 LYS 28 2HD LYS 28 5.970 -13.141 -12.700 151 HE2 LYS 28 1HE LYS 28 8.095 -14.326 -13.185 152 HE3 LYS 28 2HE LYS 28 8.677 -13.899 -11.560 153 HZ1 LYS 28 3HZ LYS 28 6.305 -15.549 -12.153 154 HZ2 LYS 28 1HZ LYS 28 7.760 -16.117 -11.623 155 HZ3 LYS 28 2HZ LYS 28 6.844 -15.153 -10.646 156 H ARG 29 H ARG 29 12.044 -10.749 -11.754 157 HA ARG 29 HA ARG 29 13.594 -10.865 -13.482 158 HB2 ARG 29 1HB ARG 29 12.278 -13.500 -13.969 159 HB3 ARG 29 2HB ARG 29 13.787 -12.925 -14.715 160 HG2 ARG 29 1HG ARG 29 14.810 -12.770 -12.465 161 HG3 ARG 29 2HG ARG 29 13.311 -13.424 -11.760 162 HD2 ARG 29 1HD ARG 29 13.648 -15.453 -13.130 163 HD3 ARG 29 2HD ARG 29 15.233 -14.798 -13.606 164 HE ARG 29 HE ARG 29 15.197 -14.995 -10.717 165 HH11 ARG 29 1HH1 ARG 29 15.120 -17.126 -13.475 166 HH12 ARG 29 2HH1 ARG 29 15.934 -18.369 -12.546 167 HH21 ARG 29 1HH2 ARG 29 16.122 -16.410 -9.636 168 HH22 ARG 29 2HH2 ARG 29 16.505 -17.962 -10.356 169 H VAL 30 H VAL 30 11.340 -9.321 -13.986 170 HA VAL 30 HA VAL 30 10.343 -9.875 -16.694 171 HB VAL 30 HB VAL 30 10.307 -7.325 -15.025 172 HG11 VAL 30 1HG1 VAL 30 8.546 -6.608 -16.605 173 HG12 VAL 30 2HG1 VAL 30 10.084 -6.899 -17.450 174 HG13 VAL 30 3HG1 VAL 30 8.776 -8.103 -17.542 175 HG21 VAL 30 3HG2 VAL 30 9.092 -9.121 -13.944 176 HG22 VAL 30 1HG2 VAL 30 7.973 -7.892 -14.578 177 HG23 VAL 30 2HG2 VAL 30 8.183 -9.434 -15.442 178 HA PRO 31 HA PRO 31 13.819 -8.723 -18.901 179 HB2 PRO 31 1HB PRO 31 11.875 -8.415 -20.793 180 HB3 PRO 31 2HB PRO 31 13.254 -9.283 -20.823 181 HG2 PRO 31 1HG PRO 31 10.952 -10.037 -19.864 182 HG3 PRO 31 2HG PRO 31 11.996 -10.956 -20.714 183 HD2 PRO 31 1HD PRO 31 10.062 -9.376 -18.500 184 HD3 PRO 31 2HD PRO 31 11.127 -10.601 -18.659 185 H SER 32 H SER 32 14.921 -6.896 -19.484 186 HA SER 32 HA SER 32 13.855 -4.363 -18.536 187 HB2 SER 32 1HB SER 32 15.794 -3.404 -19.264 188 HB3 SER 32 2HB SER 32 16.156 -4.955 -18.475 189 HG SER 32 HG SER 32 16.040 -4.487 -21.271 190 H ASN 33 H ASN 33 13.527 -6.123 -21.506 191 HA ASN 33 HA ASN 33 12.938 -3.668 -23.082 192 HB2 ASN 33 1HB ASN 33 13.039 -6.598 -24.129 193 HB3 ASN 33 2HB ASN 33 12.570 -5.009 -24.784 194 HD21 ASN 33 2HD2 ASN 33 14.805 -7.049 -25.261 195 HD22 ASN 33 1HD2 ASN 33 16.237 -6.077 -25.308 196 H ALA 34 H ALA 34 11.306 -5.542 -20.935 197 HA ALA 34 HA ALA 34 8.768 -5.653 -22.408 198 HB1 ALA 34 3HB ALA 34 9.416 -6.216 -19.494 199 HB2 ALA 34 1HB ALA 34 7.861 -6.539 -20.295 200 HB3 ALA 34 2HB ALA 34 9.322 -7.421 -20.800 201 H SER 35 H SER 35 6.952 -4.454 -22.068 202 HA SER 35 HA SER 35 7.332 -1.662 -21.228 203 HB2 SER 35 1HB SER 35 5.233 -1.269 -21.931 204 HB3 SER 35 2HB SER 35 5.986 -2.376 -23.101 205 HG SER 35 HG SER 35 3.841 -2.975 -22.565 206 H TRP 36 H TRP 36 5.727 -0.653 -19.747 207 HA TRP 36 HA TRP 36 5.800 -1.751 -17.114 208 HB2 TRP 36 1HB TRP 36 5.453 0.681 -17.656 209 HB3 TRP 36 2HB TRP 36 3.812 0.281 -18.215 210 HD1 TRP 36 HD1 TRP 36 5.869 0.780 -15.216 211 HE1 TRP 36 HE1 TRP 36 4.295 0.847 -13.020 212 HE3 TRP 36 HE3 TRP 36 1.528 -0.735 -17.381 213 HZ2 TRP 36 HZ2 TRP 36 1.637 0.309 -12.489 214 HZ3 TRP 36 HZ3 TRP 36 -0.480 -0.953 -16.052 215 HH2 TRP 36 HH2 TRP 36 -0.493 -0.453 -13.647 216 H GLU 37 H GLU 37 3.247 -1.825 -19.588 217 HA GLU 37 HA GLU 37 1.310 -3.139 -17.894 218 HB2 GLU 37 1HB GLU 37 1.626 -2.946 -20.890 219 HB3 GLU 37 2HB GLU 37 0.250 -3.737 -20.085 220 HG2 GLU 37 1HG GLU 37 -0.385 -1.526 -19.039 221 HG3 GLU 37 2HG GLU 37 1.097 -0.886 -19.783 222 H GLN 38 H GLN 38 3.723 -4.340 -20.207 223 HA GLN 38 HA GLN 38 2.962 -7.108 -19.973 224 HB2 GLN 38 1HB GLN 38 5.535 -5.718 -20.726 225 HB3 GLN 38 2HB GLN 38 5.347 -7.488 -20.733 226 HG2 GLN 38 1HG GLN 38 3.497 -7.173 -22.636 227 HG3 GLN 38 2HG GLN 38 3.795 -5.491 -22.135 228 HE21 GLN 38 2HE2 GLN 38 4.001 -6.867 -24.784 229 HE22 GLN 38 1HE2 GLN 38 5.612 -6.548 -25.335 230 H ALA 39 H ALA 39 5.270 -5.089 -18.186 231 HA ALA 39 HA ALA 39 6.250 -7.160 -16.485 232 HB1 ALA 39 3HB ALA 39 5.877 -4.200 -15.914 233 HB2 ALA 39 1HB ALA 39 6.869 -5.326 -14.959 234 HB3 ALA 39 2HB ALA 39 7.315 -4.956 -16.642 235 H MET 40 H MET 40 3.479 -4.945 -16.127 236 HA MET 40 HA MET 40 2.586 -5.888 -13.590 237 HB2 MET 40 1HB MET 40 1.741 -3.882 -14.667 238 HB3 MET 40 2HB MET 40 1.019 -4.868 -15.963 239 HG2 MET 40 1HG MET 40 -0.436 -5.956 -14.270 240 HG3 MET 40 2HG MET 40 0.240 -4.872 -13.031 241 HE1 MET 40 3HE MET 40 -2.130 -5.264 -16.098 242 HE2 MET 40 1HE MET 40 -2.481 -3.578 -16.548 243 HE3 MET 40 2HE MET 40 -0.850 -4.245 -16.802 244 H LYS 41 H LYS 41 1.845 -7.060 -16.868 245 HA LYS 41 HA LYS 41 -0.064 -9.031 -16.076 246 HB2 LYS 41 1HB LYS 41 1.844 -8.865 -18.407 247 HB3 LYS 41 2HB LYS 41 0.638 -10.160 -18.214 248 HG2 LYS 41 1HG LYS 41 -1.173 -8.523 -18.294 249 HG3 LYS 41 2HG LYS 41 0.007 -7.195 -18.404 250 HD2 LYS 41 1HD LYS 41 0.839 -8.134 -20.539 251 HD3 LYS 41 2HD LYS 41 -0.392 -9.417 -20.435 252 HE2 LYS 41 1HE LYS 41 -2.169 -7.727 -20.484 253 HE3 LYS 41 2HE LYS 41 -0.947 -6.437 -20.567 254 HZ1 LYS 41 3HZ LYS 41 -1.364 -8.537 -22.596 255 HZ2 LYS 41 1HZ LYS 41 -1.835 -6.963 -22.735 256 HZ3 LYS 41 2HZ LYS 41 -0.230 -7.341 -22.674 257 H MET 42 H MET 42 3.467 -9.246 -16.470 258 HA MET 42 HA MET 42 3.658 -12.038 -15.818 259 HB2 MET 42 1HB MET 42 5.584 -9.735 -15.545 260 HB3 MET 42 2HB MET 42 6.007 -11.428 -15.195 261 HG2 MET 42 1HG MET 42 5.518 -12.044 -17.512 262 HG3 MET 42 2HG MET 42 5.049 -10.365 -17.870 263 HE1 MET 42 3HE MET 42 7.956 -12.880 -17.205 264 HE2 MET 42 1HE MET 42 9.358 -11.810 -16.971 265 HE3 MET 42 2HE MET 42 8.061 -11.858 -15.752 266 H ILE 43 H ILE 43 3.730 -9.117 -13.803 267 HA ILE 43 HA ILE 43 4.201 -10.507 -11.310 268 HB ILE 43 HB ILE 43 2.860 -7.845 -11.953 269 HG12 ILE 43 1HG1 ILE 43 5.521 -8.399 -10.678 270 HG13 ILE 43 2HG1 ILE 43 5.286 -8.149 -12.423 271 HG21 ILE 43 1HG2 ILE 43 3.036 -7.364 -9.536 272 HG22 ILE 43 2HG2 ILE 43 1.974 -8.760 -9.834 273 HG23 ILE 43 3HG2 ILE 43 3.636 -9.015 -9.250 274 HD11 ILE 43 3HD1 ILE 43 4.620 -6.149 -10.235 275 HD12 ILE 43 1HD1 ILE 43 6.027 -6.075 -11.319 276 HD13 ILE 43 2HD1 ILE 43 4.383 -5.900 -11.980 277 H ILE 44 H ILE 44 1.238 -9.686 -13.056 278 HA ILE 44 HA ILE 44 -0.547 -10.652 -10.991 279 HB ILE 44 HB ILE 44 -0.880 -10.341 -14.008 280 HG12 ILE 44 1HG1 ILE 44 -2.073 -8.722 -11.778 281 HG13 ILE 44 2HG1 ILE 44 -0.533 -8.323 -12.576 282 HG21 ILE 44 1HG2 ILE 44 -3.299 -10.636 -13.593 283 HG22 ILE 44 2HG2 ILE 44 -2.391 -12.098 -13.146 284 HG23 ILE 44 3HG2 ILE 44 -2.965 -10.986 -11.882 285 HD11 ILE 44 3HD1 ILE 44 -3.241 -8.535 -13.940 286 HD12 ILE 44 1HD1 ILE 44 -2.395 -7.024 -13.533 287 HD13 ILE 44 2HD1 ILE 44 -1.701 -8.136 -14.737 288 H ASN 45 H ASN 45 1.041 -12.242 -13.716 289 HA ASN 45 HA ASN 45 -0.447 -14.690 -13.522 290 HB2 ASN 45 1HB ASN 45 2.386 -14.297 -14.753 291 HB3 ASN 45 2HB ASN 45 1.303 -15.686 -14.490 292 HD21 ASN 45 2HD2 ASN 45 2.324 -14.357 -16.944 293 HD22 ASN 45 1HD2 ASN 45 0.912 -13.982 -17.874 294 H ASP 46 H ASP 46 2.184 -13.402 -11.650 295 HA ASP 46 HA ASP 46 2.697 -16.047 -10.394 296 HB2 ASP 46 1HB ASP 46 4.624 -14.388 -10.966 297 HB3 ASP 46 2HB ASP 46 3.778 -13.375 -9.770 298 HA PRO 47 HA PRO 47 -0.560 -15.122 -7.631 299 HB2 PRO 47 1HB PRO 47 0.444 -17.484 -6.681 300 HB3 PRO 47 2HB PRO 47 -1.091 -17.038 -7.001 301 HG2 PRO 47 1HG PRO 47 0.654 -17.973 -8.698 302 HG3 PRO 47 2HG PRO 47 -0.937 -18.331 -8.644 303 HD2 PRO 47 1HD PRO 47 2.250 -17.263 -9.117 304 HD3 PRO 47 2HD PRO 47 0.754 -17.249 -9.769 305 H ARG 48 H ARG 48 2.680 -15.910 -6.841 306 HA ARG 48 HA ARG 48 2.549 -15.256 -4.037 307 HB2 ARG 48 1HB ARG 48 4.847 -15.375 -5.933 308 HB3 ARG 48 2HB ARG 48 4.985 -15.017 -4.195 309 HG2 ARG 48 1HG ARG 48 4.050 -17.198 -3.641 310 HG3 ARG 48 2HG ARG 48 3.812 -17.557 -5.369 311 HD2 ARG 48 1HD ARG 48 6.207 -17.503 -5.705 312 HD3 ARG 48 2HD ARG 48 6.441 -17.151 -3.978 313 HE ARG 48 HE ARG 48 5.096 -19.684 -4.102 314 HH11 ARG 48 1HH1 ARG 48 8.127 -18.376 -5.227 315 HH12 ARG 48 2HH1 ARG 48 8.874 -19.953 -5.062 316 HH21 ARG 48 1HH2 ARG 48 5.935 -21.497 -3.917 317 HH22 ARG 48 2HH2 ARG 48 7.626 -21.734 -4.317 318 H TYR 49 H TYR 49 2.895 -13.323 -6.927 319 HA TYR 49 HA TYR 49 3.525 -10.925 -5.257 320 HB2 TYR 49 1HB TYR 49 3.505 -11.277 -8.261 321 HB3 TYR 49 2HB TYR 49 4.027 -9.831 -7.362 322 HD1 TYR 49 HD1 TYR 49 5.311 -11.854 -5.174 323 HD2 TYR 49 HD2 TYR 49 5.779 -11.214 -9.363 324 HE1 TYR 49 HE1 TYR 49 7.612 -12.762 -5.046 325 HE2 TYR 49 HE2 TYR 49 8.078 -12.118 -9.255 326 HH TYR 49 HH TYR 49 9.717 -12.966 -7.919 327 H SER 50 H SER 50 0.875 -12.332 -5.467 328 HA SER 50 HA SER 50 -1.031 -10.833 -6.994 329 HB2 SER 50 1HB SER 50 -2.656 -11.658 -5.604 330 HB3 SER 50 2HB SER 50 -1.470 -12.928 -5.983 331 HG SER 50 HG SER 50 -0.553 -12.542 -3.915 332 H ALA 51 H ALA 51 0.680 -10.125 -3.984 333 HA ALA 51 HA ALA 51 -1.009 -8.035 -3.030 334 HB1 ALA 51 3HB ALA 51 1.996 -8.380 -2.737 335 HB2 ALA 51 1HB ALA 51 0.975 -7.292 -1.768 336 HB3 ALA 51 2HB ALA 51 0.753 -9.054 -1.657 337 H LEU 52 H LEU 52 1.546 -8.078 -5.460 338 HA LEU 52 HA LEU 52 1.343 -5.147 -5.826 339 HB2 LEU 52 1HB LEU 52 2.847 -7.342 -7.080 340 HB3 LEU 52 2HB LEU 52 3.056 -5.694 -7.716 341 HG LEU 52 HG LEU 52 4.895 -5.842 -6.317 342 HD11 LEU 52 1HD1 LEU 52 4.372 -4.663 -4.165 343 HD12 LEU 52 2HD1 LEU 52 3.474 -3.951 -5.527 344 HD13 LEU 52 3HD1 LEU 52 2.650 -5.047 -4.392 345 HD21 LEU 52 3HD2 LEU 52 4.464 -8.107 -5.567 346 HD22 LEU 52 1HD2 LEU 52 4.945 -7.092 -4.187 347 HD23 LEU 52 2HD2 LEU 52 3.234 -7.524 -4.421 348 H ALA 53 H ALA 53 0.266 -8.121 -7.350 349 HA ALA 53 HA ALA 53 -0.707 -7.035 -9.777 350 HB1 ALA 53 3HB ALA 53 -1.894 -9.246 -8.065 351 HB2 ALA 53 1HB ALA 53 -2.286 -8.927 -9.770 352 HB3 ALA 53 2HB ALA 53 -0.645 -9.444 -9.317 353 H LYS 54 H LYS 54 -2.179 -7.124 -6.547 354 HA LYS 54 HA LYS 54 -4.619 -5.782 -7.441 355 HB2 LYS 54 1HB LYS 54 -3.430 -6.246 -4.702 356 HB3 LYS 54 2HB LYS 54 -5.026 -5.521 -5.012 357 HG2 LYS 54 1HG LYS 54 -5.769 -7.605 -6.086 358 HG3 LYS 54 2HG LYS 54 -4.172 -8.330 -5.790 359 HD2 LYS 54 1HD LYS 54 -4.512 -8.035 -3.353 360 HD3 LYS 54 2HD LYS 54 -6.132 -7.375 -3.677 361 HE2 LYS 54 1HE LYS 54 -6.786 -9.492 -4.738 362 HE3 LYS 54 2HE LYS 54 -5.165 -10.152 -4.423 363 HZ1 LYS 54 3HZ LYS 54 -7.099 -9.302 -2.364 364 HZ2 LYS 54 1HZ LYS 54 -6.752 -10.862 -2.767 365 HZ3 LYS 54 2HZ LYS 54 -5.595 -9.914 -2.072 366 H LEU 55 H LEU 55 -1.553 -4.794 -5.985 367 HA LEU 55 HA LEU 55 -2.202 -2.090 -5.426 368 HB2 LEU 55 1HB LEU 55 -0.275 -3.101 -4.718 369 HB3 LEU 55 2HB LEU 55 0.434 -3.372 -6.328 370 HG LEU 55 HG LEU 55 0.445 -0.859 -6.630 371 HD11 LEU 55 1HD1 LEU 55 0.346 0.516 -4.534 372 HD12 LEU 55 2HD1 LEU 55 -1.197 -0.319 -4.832 373 HD13 LEU 55 3HD1 LEU 55 -0.065 -0.949 -3.611 374 HD21 LEU 55 3HD2 LEU 55 2.469 -2.091 -6.123 375 HD22 LEU 55 1HD2 LEU 55 2.488 -0.522 -5.283 376 HD23 LEU 55 2HD2 LEU 55 2.117 -2.012 -4.381 377 H SER 56 H SER 56 -1.151 -3.590 -8.470 378 HA SER 56 HA SER 56 -0.899 -1.170 -10.031 379 HB2 SER 56 1HB SER 56 -0.840 -2.473 -11.877 380 HB3 SER 56 2HB SER 56 0.051 -3.306 -10.582 381 HG SER 56 HG SER 56 -2.036 -4.456 -10.260 382 H GLU 57 H GLU 57 -3.649 -3.021 -8.893 383 HA GLU 57 HA GLU 57 -5.492 -1.856 -10.889 384 HB2 GLU 57 1HB GLU 57 -5.930 -3.598 -8.460 385 HB3 GLU 57 2HB GLU 57 -7.210 -3.054 -9.570 386 HG2 GLU 57 1HG GLU 57 -6.116 -4.356 -11.439 387 HG3 GLU 57 2HG GLU 57 -4.828 -4.720 -10.268 388 H LYS 58 H LYS 58 -4.069 -0.823 -8.043 389 HA LYS 58 HA LYS 58 -6.393 0.880 -7.284 390 HB2 LYS 58 1HB LYS 58 -3.662 0.518 -6.042 391 HB3 LYS 58 2HB LYS 58 -4.952 1.571 -5.417 392 HG2 LYS 58 1HG LYS 58 -6.384 -0.381 -5.035 393 HG3 LYS 58 2HG LYS 58 -5.126 -1.448 -5.704 394 HD2 LYS 58 1HD LYS 58 -3.584 -0.719 -3.902 395 HD3 LYS 58 2HD LYS 58 -4.888 0.279 -3.216 396 HE2 LYS 58 1HE LYS 58 -6.270 -1.764 -2.951 397 HE3 LYS 58 2HE LYS 58 -4.906 -2.736 -3.551 398 HZ1 LYS 58 3HZ LYS 58 -4.883 -1.067 -1.119 399 HZ2 LYS 58 1HZ LYS 58 -4.994 -2.712 -1.151 400 HZ3 LYS 58 2HZ LYS 58 -3.618 -1.967 -1.674 401 H LYS 59 H LYS 59 -4.022 0.988 -9.534 402 HA LYS 59 HA LYS 59 -3.370 3.863 -9.159 403 HB2 LYS 59 1HB LYS 59 -2.557 2.072 -11.436 404 HB3 LYS 59 2HB LYS 59 -1.807 3.592 -10.895 405 HG2 LYS 59 1HG LYS 59 -1.130 2.442 -8.782 406 HG3 LYS 59 2HG LYS 59 -1.763 0.919 -9.454 407 HD2 LYS 59 1HD LYS 59 -0.145 0.898 -11.197 408 HD3 LYS 59 2HD LYS 59 0.325 2.584 -10.879 409 HE2 LYS 59 1HE LYS 59 0.969 1.700 -8.517 410 HE3 LYS 59 2HE LYS 59 0.948 0.100 -9.294 411 HZ1 LYS 59 3HZ LYS 59 2.589 2.398 -10.148 412 HZ2 LYS 59 1HZ LYS 59 3.142 1.077 -9.329 413 HZ3 LYS 59 2HZ LYS 59 2.569 0.915 -10.869 Start of MODEL 9 1 H1 TRP 11 H TRP 11 -3.701 1.660 -4.002 2 HA TRP 11 HA TRP 11 -1.860 1.872 -1.633 3 HB2 TRP 11 1HB TRP 11 -0.686 2.061 -4.304 4 HB3 TRP 11 2HB TRP 11 0.013 3.266 -3.197 5 HD1 TRP 11 HD1 TRP 11 0.404 -0.056 -4.283 6 HE1 TRP 11 HE1 TRP 11 1.983 -1.491 -2.624 7 HE3 TRP 11 HE3 TRP 11 0.337 3.099 -0.299 8 HZ2 TRP 11 HZ2 TRP 11 2.945 -1.164 -0.054 9 HZ3 TRP 11 HZ3 TRP 11 1.560 2.541 1.711 10 HH2 TRP 11 HH2 TRP 11 2.862 0.466 1.893 11 H ASN 12 H ASN 12 -1.629 3.446 -0.222 12 HA ASN 12 HA ASN 12 -2.908 6.021 -0.748 13 HB2 ASN 12 1HB ASN 12 -1.367 5.157 1.815 14 HB3 ASN 12 2HB ASN 12 -2.163 6.641 1.237 15 HD21 ASN 12 2HD2 ASN 12 -2.711 4.768 3.494 16 HD22 ASN 12 1HD2 ASN 12 -4.378 4.333 3.315 17 H THR 13 H THR 13 0.252 4.748 -1.146 18 HA THR 13 HA THR 13 1.219 7.519 -1.750 19 HB THR 13 HB THR 13 2.859 5.305 -0.446 20 HG1 THR 13 HG1 THR 13 1.385 6.352 1.002 21 HG21 THR 13 3HG2 THR 13 3.532 8.192 -1.138 22 HG22 THR 13 1HG2 THR 13 4.596 7.052 -0.280 23 HG23 THR 13 2HG2 THR 13 4.151 6.751 -1.978 24 H LYS 14 H LYS 14 1.752 7.770 -3.752 25 HA LYS 14 HA LYS 14 1.808 5.591 -5.623 26 HB2 LYS 14 1HB LYS 14 2.772 8.447 -5.790 27 HB3 LYS 14 2HB LYS 14 2.784 7.313 -7.161 28 HG2 LYS 14 1HG LYS 14 0.337 7.093 -7.001 29 HG3 LYS 14 2HG LYS 14 0.325 8.225 -5.628 30 HD2 LYS 14 1HD LYS 14 1.270 9.984 -7.078 31 HD3 LYS 14 2HD LYS 14 1.260 8.851 -8.450 32 HE2 LYS 14 1HE LYS 14 -1.177 8.653 -8.286 33 HE3 LYS 14 2HE LYS 14 -1.182 9.756 -6.892 34 HZ1 LYS 14 3HZ LYS 14 -0.314 10.450 -9.624 35 HZ2 LYS 14 1HZ LYS 14 -1.742 10.896 -8.930 36 HZ3 LYS 14 2HZ LYS 14 -0.318 11.475 -8.331 37 H GLU 15 H GLU 15 4.345 7.273 -3.846 38 HA GLU 15 HA GLU 15 6.559 6.140 -5.299 39 HB2 GLU 15 1HB GLU 15 6.280 7.166 -2.473 40 HB3 GLU 15 2HB GLU 15 7.821 6.641 -3.196 41 HG2 GLU 15 1HG GLU 15 7.634 8.489 -4.902 42 HG3 GLU 15 2HG GLU 15 6.036 8.821 -4.195 43 H GLU 16 H GLU 16 4.700 5.023 -2.499 44 HA GLU 16 HA GLU 16 6.362 2.705 -2.003 45 HB2 GLU 16 1HB GLU 16 3.505 3.395 -1.324 46 HB3 GLU 16 2HB GLU 16 4.291 1.877 -0.831 47 HG2 GLU 16 1HG GLU 16 5.150 4.701 0.044 48 HG3 GLU 16 2HG GLU 16 4.279 3.440 0.945 49 H ALA 17 H ALA 17 3.462 3.260 -3.969 50 HA ALA 17 HA ALA 17 3.118 0.556 -4.807 51 HB1 ALA 17 3HB ALA 17 2.504 3.134 -6.294 52 HB2 ALA 17 1HB ALA 17 1.878 1.521 -6.707 53 HB3 ALA 17 2HB ALA 17 1.417 2.287 -5.168 54 H LYS 18 H LYS 18 4.995 3.225 -6.252 55 HA LYS 18 HA LYS 18 5.947 1.691 -8.494 56 HB2 LYS 18 1HB LYS 18 7.027 4.129 -7.076 57 HB3 LYS 18 2HB LYS 18 7.743 3.439 -8.552 58 HG2 LYS 18 1HG LYS 18 5.657 3.849 -9.775 59 HG3 LYS 18 2HG LYS 18 4.908 4.501 -8.299 60 HD2 LYS 18 1HD LYS 18 6.613 6.289 -8.238 61 HD3 LYS 18 2HD LYS 18 7.329 5.646 -9.735 62 HE2 LYS 18 1HE LYS 18 5.214 6.049 -10.920 63 HE3 LYS 18 2HE LYS 18 4.496 6.692 -9.424 64 HZ1 LYS 18 3HZ LYS 18 6.805 7.846 -10.852 65 HZ2 LYS 18 1HZ LYS 18 5.271 8.449 -10.866 66 HZ3 LYS 18 2HZ LYS 18 6.142 8.442 -9.465 67 H GLN 19 H GLN 19 7.178 2.166 -5.213 68 HA GLN 19 HA GLN 19 9.707 0.889 -5.599 69 HB2 GLN 19 1HB GLN 19 9.037 2.217 -3.615 70 HB3 GLN 19 2HB GLN 19 7.934 0.901 -3.148 71 HG2 GLN 19 1HG GLN 19 10.078 0.425 -1.795 72 HG3 GLN 19 2HG GLN 19 9.774 -0.544 -3.256 73 HE21 GLN 19 2HE2 GLN 19 12.083 -1.029 -3.106 74 HE22 GLN 19 1HE2 GLN 19 13.225 0.089 -3.777 75 H ALA 20 H ALA 20 6.573 -0.455 -4.549 76 HA ALA 20 HA ALA 20 7.537 -3.146 -4.333 77 HB1 ALA 20 3HB ALA 20 4.728 -2.118 -4.868 78 HB2 ALA 20 1HB ALA 20 5.152 -3.771 -4.364 79 HB3 ALA 20 2HB ALA 20 5.455 -2.400 -3.269 80 H PHE 21 H PHE 21 6.156 -1.299 -7.017 81 HA PHE 21 HA PHE 21 5.870 -3.518 -8.826 82 HB2 PHE 21 1HB PHE 21 6.260 -0.535 -9.315 83 HB3 PHE 21 2HB PHE 21 5.898 -1.719 -10.591 84 HD1 PHE 21 HD1 PHE 21 4.125 -3.181 -8.225 85 HD2 PHE 21 HD2 PHE 21 4.202 0.571 -10.265 86 HE1 PHE 21 HE1 PHE 21 1.706 -2.902 -7.800 87 HE2 PHE 21 HE2 PHE 21 1.784 0.855 -9.840 88 HZ PHE 21 HZ PHE 21 0.535 -0.883 -8.607 89 H LYS 22 H LYS 22 8.534 -1.216 -8.289 90 HA LYS 22 HA LYS 22 10.182 -2.257 -10.411 91 HB2 LYS 22 1HB LYS 22 10.794 -0.701 -7.899 92 HB3 LYS 22 2HB LYS 22 12.025 -1.146 -9.105 93 HG2 LYS 22 1HG LYS 22 10.828 0.136 -10.821 94 HG3 LYS 22 2HG LYS 22 9.571 0.564 -9.635 95 HD2 LYS 22 1HD LYS 22 11.268 1.720 -8.265 96 HD3 LYS 22 2HD LYS 22 12.510 1.311 -9.471 97 HE2 LYS 22 1HE LYS 22 11.264 2.581 -11.175 98 HE3 LYS 22 2HE LYS 22 10.041 3.006 -9.956 99 HZ1 LYS 22 3HZ LYS 22 12.891 3.765 -9.862 100 HZ2 LYS 22 1HZ LYS 22 11.644 4.769 -10.260 101 HZ3 LYS 22 2HZ LYS 22 11.757 4.159 -8.731 102 H GLU 23 H GLU 23 9.978 -2.993 -6.942 103 HA GLU 23 HA GLU 23 12.222 -4.806 -6.932 104 HB2 GLU 23 1HB GLU 23 9.804 -4.506 -5.152 105 HB3 GLU 23 2HB GLU 23 11.108 -5.680 -4.853 106 HG2 GLU 23 1HG GLU 23 12.745 -3.760 -4.623 107 HG3 GLU 23 2HG GLU 23 11.374 -2.708 -5.043 108 H ALA 24 H ALA 24 8.735 -5.285 -7.409 109 HA ALA 24 HA ALA 24 8.892 -8.137 -7.671 110 HB1 ALA 24 3HB ALA 24 6.905 -6.174 -8.865 111 HB2 ALA 24 1HB ALA 24 6.694 -7.937 -8.766 112 HB3 ALA 24 2HB ALA 24 6.773 -6.966 -7.277 113 H LEU 25 H LEU 25 9.078 -5.497 -10.052 114 HA LEU 25 HA LEU 25 9.312 -7.089 -12.388 115 HB2 LEU 25 1HB LEU 25 9.005 -4.745 -12.239 116 HB3 LEU 25 2HB LEU 25 10.694 -4.416 -11.786 117 HG LEU 25 HG LEU 25 9.841 -5.800 -14.356 118 HD11 LEU 25 1HD1 LEU 25 10.410 -3.631 -15.483 119 HD12 LEU 25 2HD1 LEU 25 9.072 -3.428 -14.329 120 HD13 LEU 25 3HD1 LEU 25 10.714 -2.901 -13.890 121 HD21 LEU 25 3HD2 LEU 25 12.073 -6.381 -13.609 122 HD22 LEU 25 1HD2 LEU 25 12.166 -5.353 -15.060 123 HD23 LEU 25 2HD2 LEU 25 12.501 -4.659 -13.454 124 H LYS 26 H LYS 26 11.832 -6.018 -10.117 125 HA LYS 26 HA LYS 26 13.990 -7.289 -11.567 126 HB2 LYS 26 1HB LYS 26 13.682 -6.417 -8.692 127 HB3 LYS 26 2HB LYS 26 15.186 -7.074 -9.381 128 HG2 LYS 26 1HG LYS 26 15.294 -5.206 -10.965 129 HG3 LYS 26 2HG LYS 26 13.769 -4.556 -10.317 130 HD2 LYS 26 1HD LYS 26 14.842 -4.310 -8.097 131 HD3 LYS 26 2HD LYS 26 16.372 -4.899 -8.790 132 HE2 LYS 26 1HE LYS 26 16.399 -3.008 -10.354 133 HE3 LYS 26 2HE LYS 26 14.864 -2.421 -9.677 134 HZ1 LYS 26 3HZ LYS 26 17.404 -2.670 -8.200 135 HZ2 LYS 26 1HZ LYS 26 16.747 -1.259 -8.746 136 HZ3 LYS 26 2HZ LYS 26 15.979 -2.126 -7.570 137 H GLU 27 H GLU 27 11.851 -8.339 -8.945 138 HA GLU 27 HA GLU 27 13.190 -10.810 -8.390 139 HB2 GLU 27 1HB GLU 27 11.479 -9.804 -6.952 140 HB3 GLU 27 2HB GLU 27 10.256 -10.110 -8.208 141 HG2 GLU 27 1HG GLU 27 10.033 -11.916 -6.535 142 HG3 GLU 27 2HG GLU 27 10.775 -12.491 -8.045 143 H LYS 28 H LYS 28 10.781 -9.927 -10.820 144 HA LYS 28 HA LYS 28 10.753 -12.723 -11.829 145 HB2 LYS 28 1HB LYS 28 9.261 -10.216 -12.606 146 HB3 LYS 28 2HB LYS 28 9.133 -11.762 -13.478 147 HG2 LYS 28 1HG LYS 28 8.419 -11.323 -10.558 148 HG3 LYS 28 2HG LYS 28 7.252 -11.397 -11.901 149 HD2 LYS 28 1HD LYS 28 8.008 -13.693 -12.415 150 HD3 LYS 28 2HD LYS 28 9.141 -13.618 -11.046 151 HE2 LYS 28 1HE LYS 28 7.243 -13.276 -9.508 152 HE3 LYS 28 2HE LYS 28 6.120 -13.389 -10.882 153 HZ1 LYS 28 3HZ LYS 28 7.928 -15.532 -9.966 154 HZ2 LYS 28 1HZ LYS 28 6.300 -15.475 -9.707 155 HZ3 LYS 28 2HZ LYS 28 6.887 -15.637 -11.241 156 H ARG 29 H ARG 29 12.870 -10.305 -12.059 157 HA ARG 29 HA ARG 29 14.274 -9.479 -13.754 158 HB2 ARG 29 1HB ARG 29 14.271 -12.407 -14.332 159 HB3 ARG 29 2HB ARG 29 15.419 -11.214 -14.984 160 HG2 ARG 29 1HG ARG 29 16.128 -10.681 -12.666 161 HG3 ARG 29 2HG ARG 29 15.038 -11.955 -12.067 162 HD2 ARG 29 1HD ARG 29 16.317 -13.598 -13.341 163 HD3 ARG 29 2HD ARG 29 17.437 -12.307 -13.835 164 HE ARG 29 HE ARG 29 17.483 -12.418 -10.950 165 HH11 ARG 29 1HH1 ARG 29 18.341 -14.480 -13.626 166 HH12 ARG 29 2HH1 ARG 29 19.608 -15.214 -12.662 167 HH21 ARG 29 1HH2 ARG 29 18.922 -13.254 -9.831 168 HH22 ARG 29 2HH2 ARG 29 19.940 -14.517 -10.497 169 H VAL 30 H VAL 30 11.931 -8.667 -14.518 170 HA VAL 30 HA VAL 30 10.977 -9.722 -17.053 171 HB VAL 30 HB VAL 30 10.670 -6.945 -15.834 172 HG11 VAL 30 1HG1 VAL 30 8.735 -6.762 -17.362 173 HG12 VAL 30 2HG1 VAL 30 10.247 -6.996 -18.270 174 HG13 VAL 30 3HG1 VAL 30 9.123 -8.358 -18.046 175 HG21 VAL 30 3HG2 VAL 30 9.790 -8.659 -14.366 176 HG22 VAL 30 1HG2 VAL 30 8.472 -7.723 -15.105 177 HG23 VAL 30 2HG2 VAL 30 8.850 -9.355 -15.708 178 HA PRO 31 HA PRO 31 14.181 -8.563 -19.622 179 HB2 PRO 31 1HB PRO 31 12.154 -8.857 -21.429 180 HB3 PRO 31 2HB PRO 31 13.637 -9.531 -21.382 181 HG2 PRO 31 1HG PRO 31 11.492 -10.383 -20.174 182 HG3 PRO 31 2HG PRO 31 12.624 -11.302 -20.905 183 HD2 PRO 31 1HD PRO 31 10.558 -9.589 -18.909 184 HD3 PRO 31 2HD PRO 31 11.769 -10.682 -18.902 185 H SER 32 H SER 32 15.015 -6.752 -20.585 186 HA SER 32 HA SER 32 13.654 -4.231 -20.120 187 HB2 SER 32 1HB SER 32 15.411 -3.217 -21.162 188 HB3 SER 32 2HB SER 32 16.014 -4.506 -20.096 189 HG SER 32 HG SER 32 16.251 -5.802 -21.974 190 H ASN 33 H ASN 33 13.482 -6.604 -22.654 191 HA ASN 33 HA ASN 33 12.495 -4.645 -24.656 192 HB2 ASN 33 1HB ASN 33 12.895 -7.708 -25.045 193 HB3 ASN 33 2HB ASN 33 12.199 -6.370 -25.992 194 HD21 ASN 33 2HD2 ASN 33 14.619 -8.201 -26.237 195 HD22 ASN 33 1HD2 ASN 33 15.924 -7.118 -26.592 196 H ALA 34 H ALA 34 11.222 -6.286 -22.064 197 HA ALA 34 HA ALA 34 8.647 -6.969 -23.245 198 HB1 ALA 34 3HB ALA 34 9.483 -6.643 -20.343 199 HB2 ALA 34 1HB ALA 34 7.949 -7.341 -20.911 200 HB3 ALA 34 2HB ALA 34 9.487 -8.160 -21.272 201 H SER 35 H SER 35 6.706 -5.933 -23.086 202 HA SER 35 HA SER 35 6.742 -3.016 -23.178 203 HB2 SER 35 1HB SER 35 4.525 -3.103 -23.601 204 HB3 SER 35 2HB SER 35 5.310 -4.426 -24.494 205 HG SER 35 HG SER 35 3.369 -5.076 -23.468 206 H TRP 36 H TRP 36 5.396 -1.651 -21.834 207 HA TRP 36 HA TRP 36 5.859 -1.869 -19.036 208 HB2 TRP 36 1HB TRP 36 5.297 0.270 -20.169 209 HB3 TRP 36 2HB TRP 36 3.652 -0.334 -20.475 210 HD1 TRP 36 HD1 TRP 36 5.908 0.851 -17.776 211 HE1 TRP 36 HE1 TRP 36 4.435 1.583 -15.632 212 HE3 TRP 36 HE3 TRP 36 1.384 -0.803 -19.398 213 HZ2 TRP 36 HZ2 TRP 36 1.769 1.404 -14.924 214 HZ3 TRP 36 HZ3 TRP 36 -0.578 -0.527 -18.012 215 HH2 TRP 36 HH2 TRP 36 -0.456 0.551 -15.807 216 H GLU 37 H GLU 37 2.983 -2.734 -20.948 217 HA GLU 37 HA GLU 37 1.402 -3.570 -18.696 218 HB2 GLU 37 1HB GLU 37 1.362 -4.333 -21.616 219 HB3 GLU 37 2HB GLU 37 0.163 -4.894 -20.425 220 HG2 GLU 37 1HG GLU 37 -0.569 -2.514 -20.052 221 HG3 GLU 37 2HG GLU 37 0.774 -2.053 -21.123 222 H GLN 38 H GLN 38 3.590 -5.354 -20.859 223 HA GLN 38 HA GLN 38 3.155 -7.936 -19.740 224 HB2 GLN 38 1HB GLN 38 4.403 -7.468 -21.818 225 HB3 GLN 38 2HB GLN 38 5.704 -6.740 -20.847 226 HG2 GLN 38 1HG GLN 38 6.491 -9.169 -21.239 227 HG3 GLN 38 2HG GLN 38 5.810 -8.746 -19.652 228 HE21 GLN 38 2HE2 GLN 38 5.279 -10.881 -19.156 229 HE22 GLN 38 1HE2 GLN 38 3.982 -11.720 -19.940 230 H ALA 39 H ALA 39 5.416 -5.364 -18.782 231 HA ALA 39 HA ALA 39 6.666 -6.841 -16.683 232 HB1 ALA 39 3HB ALA 39 6.207 -3.848 -16.939 233 HB2 ALA 39 1HB ALA 39 7.346 -4.634 -15.820 234 HB3 ALA 39 2HB ALA 39 7.599 -4.754 -17.577 235 H MET 40 H MET 40 3.817 -4.703 -16.683 236 HA MET 40 HA MET 40 3.346 -4.850 -13.851 237 HB2 MET 40 1HB MET 40 1.529 -4.334 -16.201 238 HB3 MET 40 2HB MET 40 1.018 -4.211 -14.500 239 HG2 MET 40 1HG MET 40 3.159 -2.554 -15.868 240 HG3 MET 40 2HG MET 40 1.529 -2.003 -15.416 241 HE1 MET 40 3HE MET 40 1.032 -3.243 -12.590 242 HE2 MET 40 1HE MET 40 1.666 -1.970 -11.520 243 HE3 MET 40 2HE MET 40 0.735 -1.530 -12.973 244 H LYS 41 H LYS 41 2.377 -6.916 -16.543 245 HA LYS 41 HA LYS 41 0.571 -8.576 -15.031 246 HB2 LYS 41 1HB LYS 41 2.247 -9.051 -17.495 247 HB3 LYS 41 2HB LYS 41 1.149 -10.272 -16.809 248 HG2 LYS 41 1HG LYS 41 -0.759 -8.766 -17.149 249 HG3 LYS 41 2HG LYS 41 0.330 -7.521 -17.804 250 HD2 LYS 41 1HD LYS 41 0.964 -9.044 -19.637 251 HD3 LYS 41 2HD LYS 41 -0.138 -10.281 -18.986 252 HE2 LYS 41 1HE LYS 41 -2.038 -8.744 -19.302 253 HE3 LYS 41 2HE LYS 41 -0.933 -7.525 -19.976 254 HZ1 LYS 41 3HZ LYS 41 -1.450 -10.192 -21.126 255 HZ2 LYS 41 1HZ LYS 41 -2.047 -8.766 -21.703 256 HZ3 LYS 41 2HZ LYS 41 -0.425 -9.062 -21.752 257 H MET 42 H MET 42 4.060 -8.823 -15.696 258 HA MET 42 HA MET 42 4.438 -11.262 -14.205 259 HB2 MET 42 1HB MET 42 6.304 -8.988 -14.878 260 HB3 MET 42 2HB MET 42 6.805 -10.517 -14.118 261 HG2 MET 42 1HG MET 42 5.557 -10.201 -16.866 262 HG3 MET 42 2HG MET 42 7.274 -10.518 -16.527 263 HE1 MET 42 3HE MET 42 7.365 -12.620 -14.278 264 HE2 MET 42 1HE MET 42 7.290 -14.151 -15.182 265 HE3 MET 42 2HE MET 42 8.260 -12.795 -15.808 266 H ILE 43 H ILE 43 4.418 -7.852 -13.286 267 HA ILE 43 HA ILE 43 5.298 -8.264 -10.560 268 HB ILE 43 HB ILE 43 3.588 -6.103 -11.867 269 HG12 ILE 43 1HG1 ILE 43 6.396 -5.959 -10.813 270 HG13 ILE 43 2HG1 ILE 43 5.987 -6.348 -12.500 271 HG21 ILE 43 1HG2 ILE 43 3.915 -4.816 -9.783 272 HG22 ILE 43 2HG2 ILE 43 3.008 -6.315 -9.474 273 HG23 ILE 43 3HG2 ILE 43 4.732 -6.214 -9.046 274 HD11 ILE 43 3HD1 ILE 43 5.268 -3.780 -11.043 275 HD12 ILE 43 1HD1 ILE 43 6.560 -3.965 -12.251 276 HD13 ILE 43 2HD1 ILE 43 4.857 -4.170 -12.730 277 H ILE 44 H ILE 44 2.060 -8.173 -12.018 278 HA ILE 44 HA ILE 44 0.685 -8.708 -9.524 279 HB ILE 44 HB ILE 44 -0.090 -9.172 -12.437 280 HG12 ILE 44 1HG1 ILE 44 -1.112 -7.144 -10.473 281 HG13 ILE 44 2HG1 ILE 44 0.225 -6.848 -11.608 282 HG21 ILE 44 1HG2 ILE 44 -2.384 -9.533 -11.592 283 HG22 ILE 44 2HG2 ILE 44 -1.270 -10.771 -10.969 284 HG23 ILE 44 3HG2 ILE 44 -1.784 -9.429 -9.920 285 HD11 ILE 44 3HD1 ILE 44 -2.624 -7.584 -12.368 286 HD12 ILE 44 1HD1 ILE 44 -1.901 -5.964 -12.487 287 HD13 ILE 44 2HD1 ILE 44 -1.286 -7.289 -13.503 288 H ASN 45 H ASN 45 2.165 -10.785 -11.941 289 HA ASN 45 HA ASN 45 1.025 -13.211 -10.749 290 HB2 ASN 45 1HB ASN 45 3.221 -13.011 -12.946 291 HB3 ASN 45 2HB ASN 45 2.472 -14.326 -12.009 292 HD21 ASN 45 2HD2 ASN 45 2.474 -13.626 -14.906 293 HD22 ASN 45 1HD2 ASN 45 0.802 -13.587 -15.358 294 H ASP 46 H ASP 46 3.367 -11.108 -9.735 295 HA ASP 46 HA ASP 46 5.096 -13.196 -8.528 296 HB2 ASP 46 1HB ASP 46 6.081 -10.979 -9.426 297 HB3 ASP 46 2HB ASP 46 5.024 -10.265 -8.182 298 HA PRO 47 HA PRO 47 2.093 -13.438 -5.349 299 HB2 PRO 47 1HB PRO 47 4.030 -15.190 -4.537 300 HB3 PRO 47 2HB PRO 47 2.416 -15.376 -4.649 301 HG2 PRO 47 1HG PRO 47 4.160 -15.672 -6.563 302 HG3 PRO 47 2HG PRO 47 2.846 -16.601 -6.294 303 HD2 PRO 47 1HD PRO 47 5.300 -14.436 -7.196 304 HD3 PRO 47 2HD PRO 47 3.845 -15.023 -7.639 305 H ARG 48 H ARG 48 5.447 -12.854 -5.029 306 HA ARG 48 HA ARG 48 5.477 -12.258 -2.215 307 HB2 ARG 48 1HB ARG 48 7.455 -12.822 -3.447 308 HB3 ARG 48 2HB ARG 48 7.324 -11.298 -4.355 309 HG2 ARG 48 1HG ARG 48 7.678 -10.008 -2.337 310 HG3 ARG 48 2HG ARG 48 7.660 -11.488 -1.348 311 HD2 ARG 48 1HD ARG 48 9.693 -12.230 -2.374 312 HD3 ARG 48 2HD ARG 48 9.696 -10.811 -3.447 313 HE ARG 48 HE ARG 48 9.854 -9.937 -0.658 314 HH11 ARG 48 1HH1 ARG 48 11.797 -11.423 -3.143 315 HH12 ARG 48 2HH1 ARG 48 13.244 -10.740 -2.428 316 HH21 ARG 48 1HH2 ARG 48 11.503 -9.155 0.178 317 HH22 ARG 48 2HH2 ARG 48 13.078 -9.447 -0.533 318 H TYR 49 H TYR 49 4.644 -10.359 -5.043 319 HA TYR 49 HA TYR 49 4.105 -8.038 -3.217 320 HB2 TYR 49 1HB TYR 49 5.108 -7.994 -6.070 321 HB3 TYR 49 2HB TYR 49 4.624 -6.572 -5.116 322 HD1 TYR 49 HD2 TYR 49 5.983 -5.921 -3.114 323 HD2 TYR 49 HD1 TYR 49 7.278 -8.961 -5.809 324 HE1 TYR 49 HE2 TYR 49 8.275 -5.734 -2.208 325 HE2 TYR 49 HE1 TYR 49 9.581 -8.786 -4.914 326 HH TYR 49 HH TYR 49 10.593 -6.246 -2.805 327 H SER 50 H SER 50 2.658 -10.403 -4.854 328 HA SER 50 HA SER 50 0.680 -9.201 -6.549 329 HB2 SER 50 1HB SER 50 -0.558 -11.106 -6.305 330 HB3 SER 50 2HB SER 50 1.164 -11.523 -6.463 331 HG SER 50 HG SER 50 1.196 -11.810 -4.187 332 H ALA 51 H ALA 51 1.000 -9.407 -3.033 333 HA ALA 51 HA ALA 51 -1.724 -8.840 -2.370 334 HB1 ALA 51 3HB ALA 51 0.819 -8.229 -0.824 335 HB2 ALA 51 1HB ALA 51 -0.832 -8.208 -0.162 336 HB3 ALA 51 2HB ALA 51 -0.124 -9.736 -0.740 337 H LEU 52 H LEU 52 0.894 -6.824 -3.461 338 HA LEU 52 HA LEU 52 -0.709 -4.380 -2.828 339 HB2 LEU 52 1HB LEU 52 2.074 -4.815 -3.696 340 HB3 LEU 52 2HB LEU 52 1.474 -3.173 -3.368 341 HG LEU 52 HG LEU 52 1.838 -5.431 -1.361 342 HD11 LEU 52 1HD1 LEU 52 3.499 -3.862 -0.328 343 HD12 LEU 52 2HD1 LEU 52 3.943 -4.260 -2.005 344 HD13 LEU 52 3HD1 LEU 52 3.185 -2.694 -1.633 345 HD21 LEU 52 3HD2 LEU 52 -0.169 -4.169 -0.852 346 HD22 LEU 52 1HD2 LEU 52 1.097 -3.804 0.344 347 HD23 LEU 52 2HD2 LEU 52 0.732 -2.639 -0.952 348 H ALA 53 H ALA 53 0.640 -6.284 -5.442 349 HA ALA 53 HA ALA 53 0.176 -4.369 -7.525 350 HB1 ALA 53 3HB ALA 53 0.237 -7.403 -7.644 351 HB2 ALA 53 1HB ALA 53 0.330 -6.306 -9.040 352 HB3 ALA 53 2HB ALA 53 1.635 -6.317 -7.830 353 H LYS 54 H LYS 54 -1.886 -6.732 -5.930 354 HA LYS 54 HA LYS 54 -4.119 -6.077 -7.791 355 HB2 LYS 54 1HB LYS 54 -3.902 -8.055 -5.516 356 HB3 LYS 54 2HB LYS 54 -5.324 -7.827 -6.563 357 HG2 LYS 54 1HG LYS 54 -3.961 -8.506 -8.520 358 HG3 LYS 54 2HG LYS 54 -2.581 -8.797 -7.435 359 HD2 LYS 54 1HD LYS 54 -3.921 -10.479 -6.209 360 HD3 LYS 54 2HD LYS 54 -5.269 -10.210 -7.340 361 HE2 LYS 54 1HE LYS 54 -3.826 -10.920 -9.211 362 HE3 LYS 54 2HE LYS 54 -2.501 -11.219 -8.064 363 HZ1 LYS 54 3HZ LYS 54 -5.105 -12.605 -8.073 364 HZ2 LYS 54 1HZ LYS 54 -3.679 -13.240 -8.607 365 HZ3 LYS 54 2HZ LYS 54 -3.875 -12.883 -7.008 366 H LEU 55 H LEU 55 -2.793 -4.575 -5.282 367 HA LEU 55 HA LEU 55 -4.954 -4.196 -3.439 368 HB2 LEU 55 1HB LEU 55 -2.679 -3.720 -3.066 369 HB3 LEU 55 2HB LEU 55 -2.643 -2.301 -4.139 370 HG LEU 55 HG LEU 55 -4.397 -1.242 -2.697 371 HD11 LEU 55 1HD1 LEU 55 -4.753 -2.208 -0.409 372 HD12 LEU 55 2HD1 LEU 55 -5.289 -3.336 -1.676 373 HD13 LEU 55 3HD1 LEU 55 -3.733 -3.596 -0.852 374 HD21 LEU 55 3HD2 LEU 55 -2.062 -0.645 -2.444 375 HD22 LEU 55 1HD2 LEU 55 -2.865 -0.639 -0.856 376 HD23 LEU 55 2HD2 LEU 55 -1.807 -1.996 -1.315 377 H SER 56 H SER 56 -4.191 -2.694 -6.523 378 HA SER 56 HA SER 56 -6.013 -0.452 -6.409 379 HB2 SER 56 1HB SER 56 -5.813 -0.309 -8.678 380 HB3 SER 56 2HB SER 56 -4.224 -0.664 -7.961 381 HG SER 56 HG SER 56 -4.543 -2.846 -8.593 382 H GLU 57 H GLU 57 -6.483 -3.901 -6.765 383 HA GLU 57 HA GLU 57 -9.299 -3.488 -7.668 384 HB2 GLU 57 1HB GLU 57 -7.663 -6.000 -7.280 385 HB3 GLU 57 2HB GLU 57 -9.342 -5.929 -7.870 386 HG2 GLU 57 1HG GLU 57 -8.532 -4.666 -9.916 387 HG3 GLU 57 2HG GLU 57 -6.925 -4.734 -9.161 388 H LYS 58 H LYS 58 -7.379 -4.512 -4.914 389 HA LYS 58 HA LYS 58 -9.550 -5.593 -3.362 390 HB2 LYS 58 1HB LYS 58 -6.925 -4.316 -2.591 391 HB3 LYS 58 2HB LYS 58 -8.053 -5.052 -1.428 392 HG2 LYS 58 1HG LYS 58 -7.793 -7.226 -2.500 393 HG3 LYS 58 2HG LYS 58 -6.740 -6.512 -3.744 394 HD2 LYS 58 1HD LYS 58 -5.105 -5.896 -2.007 395 HD3 LYS 58 2HD LYS 58 -6.156 -6.619 -0.765 396 HE2 LYS 58 1HE LYS 58 -5.947 -8.809 -1.851 397 HE3 LYS 58 2HE LYS 58 -4.912 -8.093 -3.108 398 HZ1 LYS 58 3HZ LYS 58 -4.276 -8.220 -0.229 399 HZ2 LYS 58 1HZ LYS 58 -3.618 -9.178 -1.401 400 HZ3 LYS 58 2HZ LYS 58 -3.315 -7.556 -1.395 401 H LYS 59 H LYS 59 -8.310 -2.313 -3.799 402 HA LYS 59 HA LYS 59 -10.834 -1.260 -2.689 403 HB2 LYS 59 1HB LYS 59 -9.304 -1.562 -0.744 404 HB3 LYS 59 2HB LYS 59 -8.162 -0.449 -1.537 405 HG2 LYS 59 1HG LYS 59 -9.755 1.371 -1.396 406 HG3 LYS 59 2HG LYS 59 -11.007 0.275 -0.762 407 HD2 LYS 59 1HD LYS 59 -9.592 -0.154 1.228 408 HD3 LYS 59 2HD LYS 59 -8.390 0.999 0.600 409 HE2 LYS 59 1HE LYS 59 -10.056 2.796 0.681 410 HE3 LYS 59 2HE LYS 59 -11.273 1.648 1.286 411 HZ1 LYS 59 3HZ LYS 59 -8.779 2.392 2.675 412 HZ2 LYS 59 1HZ LYS 59 -10.290 2.923 3.068 413 HZ3 LYS 59 2HZ LYS 59 -9.907 1.327 3.236
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