NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
22600 | 2jpk | 15261 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA LYS 1 HA LYS 1 1.608 0.671 -1.931 2 H1 LYS 1 H LYS 1 1.806 0.000 0.856 3 HB2 LYS 1 2HB LYS 1 3.927 -0.043 -0.139 4 HB3 LYS 1 3HB LYS 1 4.123 0.281 -1.857 5 HG2 LYS 1 2HG LYS 1 2.826 2.248 0.002 6 HG3 LYS 1 3HG LYS 1 4.571 2.198 -0.259 7 HD2 LYS 1 2HD LYS 1 4.166 3.603 -1.958 8 HD3 LYS 1 3HD LYS 1 3.602 2.169 -2.819 9 HE2 LYS 1 2HE LYS 1 1.803 3.567 -3.091 10 HE3 LYS 1 3HE LYS 1 1.339 2.720 -1.616 11 HZ1 LYS 1 3HZ LYS 1 2.638 5.389 -1.734 12 HZ2 LYS 1 1HZ LYS 1 2.175 4.577 -0.323 13 HZ3 LYS 1 2HZ LYS 1 1.000 5.104 -1.419 14 H LYS 2 H LYS 2 1.896 -0.628 -3.687 15 HA LYS 2 HA LYS 2 1.266 -3.365 -3.458 16 HB2 LYS 2 2HB LYS 2 2.077 -1.542 -5.666 17 HB3 LYS 2 3HB LYS 2 2.224 -3.272 -5.949 18 HG2 LYS 2 2HG LYS 2 -0.003 -3.584 -6.046 19 HG3 LYS 2 3HG LYS 2 -0.336 -2.377 -4.802 20 HD2 LYS 2 2HD LYS 2 -0.216 -0.605 -6.334 21 HD3 LYS 2 3HD LYS 2 0.604 -1.593 -7.545 22 HE2 LYS 2 2HE LYS 2 -1.735 -2.959 -7.169 23 HE3 LYS 2 3HE LYS 2 -2.252 -1.284 -6.979 24 HZ1 LYS 2 3HZ LYS 2 -1.829 -2.622 -9.344 25 HZ2 LYS 2 1HZ LYS 2 -0.511 -1.570 -9.205 26 HZ3 LYS 2 2HZ LYS 2 -2.088 -0.961 -9.152 27 H TRP 3 H TRP 3 4.316 -1.776 -4.395 28 HA TRP 3 HA TRP 3 6.471 -2.511 -4.411 29 HD1 TRP 3 HD1 TRP 3 7.181 -0.865 -3.326 30 HE1 TRP 3 HE1 TRP 3 7.339 0.863 -1.425 31 HE3 TRP 3 HE3 TRP 3 5.442 -3.737 0.529 32 HZ2 TRP 3 HZ2 TRP 3 6.798 0.992 1.343 33 HZ3 TRP 3 HZ3 TRP 3 5.294 -2.737 2.772 34 HH2 TRP 3 HH2 TRP 3 5.959 -0.421 3.169 35 HB2 TRP 3 2HB TRP 3 5.372 -3.968 -2.009 36 HB3 TRP 3 3HB TRP 3 7.072 -4.047 -2.462 37 H GLY 4 H GLY 4 5.099 -3.709 -6.368 38 HA2 GLY 4 2HA GLY 4 5.492 -6.598 -6.173 39 HA3 GLY 4 3HA GLY 4 4.696 -5.743 -7.486 40 H TRP 5 H TRP 5 7.693 -4.448 -6.454 41 HA TRP 5 HA TRP 5 8.884 -5.059 -9.004 42 HD1 TRP 5 HD1 TRP 5 7.515 -3.207 -9.321 43 HE1 TRP 5 HE1 TRP 5 6.648 -0.784 -9.261 44 HE3 TRP 5 HE3 TRP 5 10.913 -1.211 -6.065 45 HZ2 TRP 5 HZ2 TRP 5 7.318 1.651 -8.001 46 HZ3 TRP 5 HZ3 TRP 5 10.731 1.173 -5.485 47 HH2 TRP 5 HH2 TRP 5 8.970 2.573 -6.434 48 HB2 TRP 5 2HB TRP 5 10.123 -3.666 -6.622 49 HB3 TRP 5 3HB TRP 5 10.713 -3.639 -8.282 50 H LEU 6 H LEU 6 9.922 -5.603 -5.631 51 HA LEU 6 HA LEU 6 12.013 -7.369 -6.288 52 HG LEU 6 HG LEU 6 9.269 -7.024 -3.919 53 HB2 LEU 6 2HB LEU 6 12.026 -7.952 -3.926 54 HB3 LEU 6 3HB LEU 6 11.900 -6.209 -4.156 55 HD11 LEU 6 1HD1 LEU 6 11.051 -8.701 -2.190 56 HD12 LEU 6 2HD1 LEU 6 9.660 -9.190 -3.157 57 HD13 LEU 6 3HD1 LEU 6 9.422 -8.261 -1.677 58 HD21 LEU 6 3HD2 LEU 6 10.280 -5.012 -2.972 59 HD22 LEU 6 1HD2 LEU 6 11.134 -5.995 -1.783 60 HD23 LEU 6 2HD2 LEU 6 9.373 -5.906 -1.751 61 H ALA 7 H ALA 7 8.598 -7.838 -5.871 62 HA ALA 7 HA ALA 7 8.619 -10.637 -5.438 63 HB1 ALA 7 1HB ALA 7 6.217 -10.391 -6.416 64 HB2 ALA 7 2HB ALA 7 6.612 -9.663 -4.858 65 HB3 ALA 7 3HB ALA 7 6.555 -8.663 -6.310 66 H TRP 8 H TRP 8 8.817 -8.650 -8.297 67 HA TRP 8 HA TRP 8 8.413 -10.923 -10.069 68 HD1 TRP 8 HD1 TRP 8 6.215 -9.117 -9.099 69 HE1 TRP 8 HE1 TRP 8 3.938 -9.141 -10.299 70 HE3 TRP 8 HE3 TRP 8 7.842 -8.805 -13.936 71 HZ2 TRP 8 HZ2 TRP 8 2.961 -9.042 -12.945 72 HZ3 TRP 8 HZ3 TRP 8 6.171 -8.776 -15.742 73 HH2 TRP 8 HH2 TRP 8 3.782 -8.892 -15.255 74 HB2 TRP 8 2HB TRP 8 8.737 -7.968 -10.465 75 HB3 TRP 8 3HB TRP 8 8.989 -9.065 -11.820 76 H VAL 9 H VAL 9 10.992 -9.037 -8.713 77 HA VAL 9 HA VAL 9 12.981 -10.001 -10.578 78 HB VAL 9 HB VAL 9 13.317 -8.467 -7.996 79 HG11 VAL 9 1HG1 VAL 9 15.440 -9.182 -8.218 80 HG12 VAL 9 2HG1 VAL 9 15.229 -9.613 -9.916 81 HG13 VAL 9 3HG1 VAL 9 15.528 -7.935 -9.461 82 HG21 VAL 9 3HG2 VAL 9 13.451 -6.500 -9.284 83 HG22 VAL 9 1HG2 VAL 9 13.571 -7.401 -10.795 84 HG23 VAL 9 2HG2 VAL 9 12.047 -7.367 -9.908 85 H ASP 10 H ASP 10 11.680 -10.920 -7.505 86 HA ASP 10 HA ASP 10 13.745 -12.385 -6.388 87 HB2 ASP 10 2HB ASP 10 10.878 -12.210 -6.073 88 HB3 ASP 10 3HB ASP 10 11.416 -13.879 -5.904 89 HA PRO 11 HA PRO 11 12.295 -16.291 -8.822 90 HB2 PRO 11 2HB PRO 11 10.446 -15.937 -10.778 91 HB3 PRO 11 3HB PRO 11 10.014 -16.276 -9.098 92 HG2 PRO 11 2HG PRO 11 10.075 -13.657 -10.546 93 HG3 PRO 11 3HG PRO 11 8.858 -14.284 -9.420 94 HD2 PRO 11 2HD PRO 11 10.750 -12.498 -8.673 95 HD3 PRO 11 3HD PRO 11 10.104 -13.724 -7.564 96 H ALA 12 H ALA 12 12.732 -13.215 -10.359 97 HA ALA 12 HA ALA 12 13.596 -14.199 -12.895 98 HB1 ALA 12 1HB ALA 12 13.831 -12.022 -13.498 99 HB2 ALA 12 2HB ALA 12 12.784 -11.796 -12.097 100 HB3 ALA 12 3HB ALA 12 14.523 -11.550 -11.946 101 H TYR 13 H TYR 13 15.441 -12.558 -10.315 102 HA TYR 13 HA TYR 13 17.976 -13.092 -11.289 103 HD1 TYR 13 HD1 TYR 13 19.953 -13.805 -8.275 104 HD2 TYR 13 HD2 TYR 13 18.692 -10.222 -10.193 105 HE1 TYR 13 HE1 TYR 13 22.277 -12.998 -8.283 106 HE2 TYR 13 HE2 TYR 13 21.012 -9.406 -10.206 107 HH TYR 13 HH TYR 13 23.528 -10.990 -8.451 108 HB2 TYR 13 2HB TYR 13 17.080 -11.711 -9.188 109 HB3 TYR 13 3HB TYR 13 17.591 -13.164 -8.337 110 H GLU 14 H GLU 14 15.932 -15.068 -9.187 111 HA GLU 14 HA GLU 14 17.814 -17.064 -8.597 112 HB2 GLU 14 2HB GLU 14 14.802 -17.109 -8.724 113 HB3 GLU 14 3HB GLU 14 15.747 -18.504 -8.222 114 HG2 GLU 14 2HG GLU 14 16.581 -17.372 -6.321 115 HG3 GLU 14 3HG GLU 14 15.972 -15.820 -6.893 116 H PHE 15 H PHE 15 15.877 -16.466 -11.416 117 HA PHE 15 HA PHE 15 16.023 -19.054 -12.557 118 HD1 PHE 15 HD1 PHE 15 13.758 -19.363 -12.806 119 HD2 PHE 15 HD2 PHE 15 15.182 -17.614 -16.415 120 HE1 PHE 15 HE1 PHE 15 12.444 -20.986 -14.107 121 HE2 PHE 15 HE2 PHE 15 13.870 -19.233 -17.722 122 HZ PHE 15 HZ PHE 15 12.498 -20.922 -16.568 123 HB2 PHE 15 2HB PHE 15 14.669 -16.773 -13.172 124 HB3 PHE 15 3HB PHE 15 15.911 -16.771 -14.420 125 H ILE 16 H ILE 16 17.985 -16.129 -12.973 126 HA ILE 16 HA ILE 16 19.722 -17.187 -14.928 127 HB ILE 16 HB ILE 16 20.260 -14.993 -12.923 128 HG12 ILE 16 2HG1 ILE 16 19.853 -13.782 -15.334 129 HG13 ILE 16 3HG1 ILE 16 18.725 -15.129 -15.436 130 HG21 ILE 16 1HG2 ILE 16 22.361 -15.303 -13.689 131 HG22 ILE 16 2HG2 ILE 16 21.823 -16.123 -15.153 132 HG23 ILE 16 3HG2 ILE 16 21.764 -14.364 -15.057 133 HD11 ILE 16 3HD1 ILE 16 18.201 -14.190 -12.948 134 HD12 ILE 16 1HD1 ILE 16 18.627 -12.707 -13.802 135 HD13 ILE 16 2HD1 ILE 16 17.323 -13.730 -14.407 136 H LYS 17 H LYS 17 19.595 -17.511 -11.481 137 HA LYS 17 HA LYS 17 22.261 -18.212 -10.953 138 HB2 LYS 17 2HB LYS 17 19.714 -19.085 -9.577 139 HB3 LYS 17 3HB LYS 17 21.332 -19.352 -8.940 140 HG2 LYS 17 2HG LYS 17 20.615 -16.572 -9.650 141 HG3 LYS 17 3HG LYS 17 19.824 -17.275 -8.238 142 HD2 LYS 17 2HD LYS 17 21.715 -17.254 -7.019 143 HD3 LYS 17 3HD LYS 17 22.715 -17.757 -8.384 144 HE2 LYS 17 2HE LYS 17 21.600 -15.022 -8.499 145 HE3 LYS 17 3HE LYS 17 22.838 -15.313 -7.278 146 HZ1 LYS 17 3HZ LYS 17 23.922 -16.472 -9.435 147 HZ2 LYS 17 1HZ LYS 17 24.228 -14.877 -8.960 148 HZ3 LYS 17 2HZ LYS 17 23.077 -15.197 -10.157 149 H GLY 18 H GLY 18 19.655 -19.978 -12.412 150 HA2 GLY 18 2HA GLY 18 21.291 -22.435 -12.349 151 HA3 GLY 18 3HA GLY 18 19.542 -22.408 -12.521 152 H PHE 19 H PHE 19 19.311 -20.393 -14.460 153 HA PHE 19 HA PHE 19 19.875 -21.915 -16.811 154 HD1 PHE 19 HD2 PHE 19 16.859 -21.630 -15.784 155 HD2 PHE 19 HD1 PHE 19 18.318 -20.388 -19.585 156 HE1 PHE 19 HE2 PHE 19 15.128 -22.986 -16.888 157 HE2 PHE 19 HE1 PHE 19 16.589 -21.742 -20.695 158 HZ PHE 19 HZ PHE 19 14.992 -23.044 -19.346 159 HB2 PHE 19 2HB PHE 19 18.299 -19.574 -16.107 160 HB3 PHE 19 3HB PHE 19 19.125 -19.367 -17.648 161 H GLY 20 H GLY 20 21.260 -19.063 -15.287 162 HA2 GLY 20 2HA GLY 20 23.445 -19.178 -17.271 163 HA3 GLY 20 3HA GLY 20 22.773 -17.645 -16.737 164 H LYS 21 H LYS 21 23.681 -20.581 -14.944 165 HA LYS 21 HA LYS 21 24.766 -19.176 -12.768 166 HB2 LYS 21 2HB LYS 21 25.587 -21.301 -11.996 167 HB3 LYS 21 3HB LYS 21 24.002 -21.549 -12.716 168 HG2 LYS 21 2HG LYS 21 25.962 -21.894 -14.743 169 HG3 LYS 21 3HG LYS 21 26.442 -22.839 -13.332 170 HD2 LYS 21 2HD LYS 21 23.593 -22.983 -14.105 171 HD3 LYS 21 3HD LYS 21 24.744 -23.741 -15.207 172 HE2 LYS 21 2HE LYS 21 25.628 -24.607 -12.771 173 HE3 LYS 21 3HE LYS 21 23.883 -24.547 -12.525 174 HZ1 LYS 21 3HZ LYS 21 25.411 -26.145 -14.481 175 HZ2 LYS 21 1HZ LYS 21 23.769 -25.815 -14.721 176 HZ3 LYS 21 2HZ LYS 21 24.269 -26.667 -13.348 177 H GLY 22 H GLY 22 26.042 -19.854 -15.866 178 HA2 GLY 22 2HA GLY 22 28.659 -18.824 -14.982 179 HA3 GLY 22 3HA GLY 22 28.572 -20.232 -16.030 180 H ALA 23 H ALA 23 26.931 -17.066 -15.987 181 HA ALA 23 HA ALA 23 28.230 -16.204 -18.388 182 HB1 ALA 23 1HB ALA 23 26.838 -17.484 -19.679 183 HB2 ALA 23 2HB ALA 23 25.505 -17.395 -18.526 184 HB3 ALA 23 3HB ALA 23 25.880 -16.008 -19.550 185 H ILE 24 H ILE 24 28.584 -14.601 -16.627 186 HA ILE 24 HA ILE 24 26.352 -12.943 -15.861 187 HB ILE 24 HB ILE 24 29.313 -12.519 -15.435 188 HG12 ILE 24 2HG1 ILE 24 28.509 -14.540 -14.326 189 HG13 ILE 24 3HG1 ILE 24 28.847 -13.289 -13.134 190 HG21 ILE 24 1HG2 ILE 24 27.990 -11.160 -13.459 191 HG22 ILE 24 2HG2 ILE 24 28.675 -10.440 -14.915 192 HG23 ILE 24 3HG2 ILE 24 26.968 -10.877 -14.868 193 HD11 ILE 24 3HD1 ILE 24 26.156 -12.977 -13.819 194 HD12 ILE 24 1HD1 ILE 24 26.416 -14.711 -13.639 195 HD13 ILE 24 2HD1 ILE 24 26.822 -13.617 -12.317 196 H LYS 25 H LYS 25 28.743 -12.980 -18.355 197 HA LYS 25 HA LYS 25 28.663 -10.216 -19.020 198 HB2 LYS 25 2HB LYS 25 29.667 -10.985 -21.188 199 HB3 LYS 25 3HB LYS 25 30.542 -11.501 -19.752 200 HG2 LYS 25 2HG LYS 25 28.535 -13.424 -20.622 201 HG3 LYS 25 3HG LYS 25 29.778 -13.108 -21.835 202 HD2 LYS 25 2HD LYS 25 30.918 -13.399 -19.190 203 HD3 LYS 25 3HD LYS 25 29.974 -14.818 -19.650 204 HE2 LYS 25 2HE LYS 25 32.042 -15.347 -20.511 205 HE3 LYS 25 3HE LYS 25 31.267 -14.595 -21.904 206 HZ1 LYS 25 3HZ LYS 25 33.134 -13.378 -21.942 207 HZ2 LYS 25 1HZ LYS 25 33.512 -13.682 -20.321 208 HZ3 LYS 25 2HZ LYS 25 32.390 -12.480 -20.716 209 H GLU 26 H GLU 26 26.721 -12.990 -19.874 210 HA GLU 26 HA GLU 26 25.411 -11.811 -22.107 211 HB2 GLU 26 2HB GLU 26 24.520 -14.075 -20.312 212 HB3 GLU 26 3HB GLU 26 23.795 -13.658 -21.858 213 HG2 GLU 26 2HG GLU 26 26.696 -14.138 -21.906 214 HG3 GLU 26 3HG GLU 26 25.691 -15.538 -21.532 215 H GLY 27 H GLY 27 24.813 -11.855 -18.651 216 HA2 GLY 27 2HA GLY 27 22.397 -10.216 -19.095 217 HA3 GLY 27 3HA GLY 27 22.665 -11.222 -17.679 218 H ASN 28 H ASN 28 24.298 -10.568 -16.151 219 HA ASN 28 HA ASN 28 24.253 -7.753 -15.687 220 HB2 ASN 28 2HB ASN 28 25.138 -10.159 -14.246 221 HB3 ASN 28 3HB ASN 28 26.100 -8.722 -13.911 222 HD21 ASN 28 1HD2 ASN 28 24.328 -10.169 -12.147 223 HD22 ASN 28 2HD2 ASN 28 23.123 -9.044 -11.629 224 H LYS 29 H LYS 29 25.299 -7.022 -17.644 225 HA LYS 29 HA LYS 29 28.055 -7.655 -18.128 226 HB2 LYS 29 2HB LYS 29 26.377 -5.405 -19.254 227 HB3 LYS 29 3HB LYS 29 27.925 -5.957 -19.881 228 HG2 LYS 29 2HG LYS 29 27.004 -7.667 -20.988 229 HG3 LYS 29 3HG LYS 29 25.906 -8.062 -19.664 230 HD2 LYS 29 2HD LYS 29 24.597 -5.983 -20.355 231 HD3 LYS 29 3HD LYS 29 25.561 -6.009 -21.834 232 HE2 LYS 29 2HE LYS 29 24.692 -8.103 -22.481 233 HE3 LYS 29 3HE LYS 29 24.021 -8.407 -20.879 234 HZ1 LYS 29 3HZ LYS 29 22.509 -7.603 -22.830 235 HZ2 LYS 29 1HZ LYS 29 23.072 -6.073 -22.379 236 HZ3 LYS 29 2HZ LYS 29 22.253 -7.037 -21.256 237 H ASP 30 H ASP 30 26.535 -4.495 -17.476 238 HA ASP 30 HA ASP 30 29.030 -3.540 -16.332 239 HB2 ASP 30 2HB ASP 30 27.794 -1.356 -16.189 240 HB3 ASP 30 3HB ASP 30 27.928 -2.014 -17.818 241 H LYS 31 H LYS 31 28.127 -5.509 -14.748 242 HA LYS 31 HA LYS 31 26.524 -4.413 -12.595 243 HB2 LYS 31 2HB LYS 31 26.647 -6.607 -11.611 244 HB3 LYS 31 3HB LYS 31 26.302 -6.784 -13.326 245 HG2 LYS 31 2HG LYS 31 27.904 -8.370 -13.125 246 HG3 LYS 31 3HG LYS 31 28.945 -6.981 -13.448 247 HD2 LYS 31 2HD LYS 31 28.623 -6.873 -10.723 248 HD3 LYS 31 3HD LYS 31 28.679 -8.609 -11.037 249 HE2 LYS 31 2HE LYS 31 30.690 -6.990 -12.455 250 HE3 LYS 31 3HE LYS 31 30.864 -7.051 -10.702 251 HZ1 LYS 31 3HZ LYS 31 31.735 -9.061 -10.886 252 HZ2 LYS 31 1HZ LYS 31 31.595 -8.990 -12.571 253 HZ3 LYS 31 2HZ LYS 31 30.338 -9.639 -11.644 254 H TRP 32 H TRP 32 29.852 -4.812 -13.392 255 HA TRP 32 HA TRP 32 30.948 -4.810 -10.787 256 HD1 TRP 32 HD1 TRP 32 31.382 -5.376 -15.095 257 HE1 TRP 32 HE1 TRP 32 31.636 -3.639 -16.977 258 HE3 TRP 32 HE3 TRP 32 33.246 -1.481 -12.358 259 HZ2 TRP 32 HZ2 TRP 32 32.512 -0.971 -17.263 260 HZ3 TRP 32 HZ3 TRP 32 33.766 0.629 -13.512 261 HH2 TRP 32 HH2 TRP 32 33.406 0.877 -15.914 262 HB2 TRP 32 2HB TRP 32 33.040 -4.038 -11.947 263 HB3 TRP 32 3HB TRP 32 32.326 -5.499 -12.624 264 H LYS 33 H LYS 33 29.641 -2.314 -12.790 265 HA LYS 33 HA LYS 33 30.929 -0.089 -11.609 266 HB2 LYS 33 2HB LYS 33 28.160 -0.045 -12.795 267 HB3 LYS 33 3HB LYS 33 29.345 1.254 -12.752 268 HG2 LYS 33 2HG LYS 33 30.715 -0.597 -14.150 269 HG3 LYS 33 3HG LYS 33 29.062 -0.992 -14.627 270 HD2 LYS 33 2HD LYS 33 29.926 0.600 -16.193 271 HD3 LYS 33 3HD LYS 33 28.728 1.419 -15.187 272 HE2 LYS 33 2HE LYS 33 30.250 2.821 -14.321 273 HE3 LYS 33 3HE LYS 33 31.450 1.545 -14.126 274 HZ1 LYS 33 3HZ LYS 33 30.929 3.248 -16.473 275 HZ2 LYS 33 1HZ LYS 33 31.667 1.737 -16.667 276 HZ3 LYS 33 2HZ LYS 33 32.397 2.917 -15.700 277 H ASN 34 H ASN 34 28.301 -2.100 -10.610 278 HA ASN 34 HA ASN 34 27.431 -0.193 -8.579 279 HB2 ASN 34 2HB ASN 34 26.230 -2.439 -9.957 280 HB3 ASN 34 3HB ASN 34 26.052 -2.604 -8.212 281 HD21 ASN 34 1HD2 ASN 34 25.692 -0.219 -10.805 282 HD22 ASN 34 2HD2 ASN 34 24.287 0.541 -10.146 283 H ILE 35 H ILE 35 30.004 -1.981 -8.739 284 HA ILE 35 HA ILE 35 29.967 -2.627 -5.885 285 HB ILE 35 HB ILE 35 30.997 -4.554 -7.970 286 HG12 ILE 35 2HG1 ILE 35 28.509 -4.419 -7.859 287 HG13 ILE 35 3HG1 ILE 35 29.143 -5.988 -7.374 288 HG21 ILE 35 1HG2 ILE 35 32.214 -5.382 -6.307 289 HG22 ILE 35 2HG2 ILE 35 31.491 -4.262 -5.154 290 HG23 ILE 35 3HG2 ILE 35 30.712 -5.808 -5.487 291 HD11 ILE 35 3HD1 ILE 35 28.528 -3.892 -5.335 292 HD12 ILE 35 1HD1 ILE 35 27.259 -4.925 -5.992 293 HD13 ILE 35 2HD1 ILE 35 28.629 -5.642 -5.143 Start of MODEL 2 1 HA LYS 1 HA LYS 1 -1.764 -0.941 -4.537 2 H1 LYS 1 H LYS 1 -3.248 0.140 -3.189 3 HB2 LYS 1 2HB LYS 1 0.135 1.159 -3.475 4 HB3 LYS 1 3HB LYS 1 0.363 0.208 -4.937 5 HG2 LYS 1 2HG LYS 1 -1.901 2.140 -4.478 6 HG3 LYS 1 3HG LYS 1 -0.427 2.499 -5.380 7 HD2 LYS 1 2HD LYS 1 -1.302 1.597 -7.213 8 HD3 LYS 1 3HD LYS 1 -1.546 0.066 -6.368 9 HE2 LYS 1 2HE LYS 1 -3.664 0.795 -7.202 10 HE3 LYS 1 3HE LYS 1 -3.671 0.997 -5.451 11 HZ1 LYS 1 3HZ LYS 1 -3.605 3.041 -7.556 12 HZ2 LYS 1 1HZ LYS 1 -2.884 3.386 -6.064 13 HZ3 LYS 1 2HZ LYS 1 -4.526 2.988 -6.138 14 H LYS 2 H LYS 2 -0.894 -2.876 -4.238 15 HA LYS 2 HA LYS 2 0.286 -3.566 -1.691 16 HB2 LYS 2 2HB LYS 2 0.270 -5.841 -2.500 17 HB3 LYS 2 3HB LYS 2 -1.277 -5.092 -2.873 18 HG2 LYS 2 2HG LYS 2 0.046 -4.572 -5.152 19 HG3 LYS 2 3HG LYS 2 0.839 -6.074 -4.670 20 HD2 LYS 2 2HD LYS 2 -2.138 -5.916 -4.577 21 HD3 LYS 2 3HD LYS 2 -1.341 -6.106 -6.141 22 HE2 LYS 2 2HE LYS 2 -0.042 -7.956 -4.603 23 HE3 LYS 2 3HE LYS 2 -1.677 -8.017 -3.947 24 HZ1 LYS 2 3HZ LYS 2 -1.684 -7.967 -6.797 25 HZ2 LYS 2 1HZ LYS 2 -2.397 -9.080 -5.741 26 HZ3 LYS 2 2HZ LYS 2 -0.783 -9.272 -6.210 27 H TRP 3 H TRP 3 1.351 -2.799 -4.898 28 HA TRP 3 HA TRP 3 3.409 -2.585 -5.840 29 HD1 TRP 3 HD1 TRP 3 2.835 -0.409 -5.812 30 HE1 TRP 3 HE1 TRP 3 2.190 1.903 -4.883 31 HE3 TRP 3 HE3 TRP 3 4.823 -0.836 -1.121 32 HZ2 TRP 3 HZ2 TRP 3 2.485 3.354 -2.479 33 HZ3 TRP 3 HZ3 TRP 3 4.598 1.060 0.432 34 HH2 TRP 3 HH2 TRP 3 3.454 3.111 -0.235 35 HB2 TRP 3 2HB TRP 3 4.313 -2.498 -2.953 36 HB3 TRP 3 3HB TRP 3 5.280 -2.009 -4.341 37 H GLY 4 H GLY 4 2.565 -5.115 -5.949 38 HA2 GLY 4 2HA GLY 4 4.642 -6.863 -4.870 39 HA3 GLY 4 3HA GLY 4 3.173 -7.375 -5.687 40 H TRP 5 H TRP 5 4.943 -4.867 -7.207 41 HA TRP 5 HA TRP 5 5.511 -6.576 -9.456 42 HD1 TRP 5 HD1 TRP 5 3.283 -5.937 -9.640 43 HE1 TRP 5 HE1 TRP 5 1.194 -4.500 -10.079 44 HE3 TRP 5 HE3 TRP 5 5.526 -1.367 -10.107 45 HZ2 TRP 5 HZ2 TRP 5 0.578 -1.788 -10.560 46 HZ3 TRP 5 HZ3 TRP 5 4.115 0.598 -10.557 47 HH2 TRP 5 HH2 TRP 5 1.693 0.390 -10.779 48 HB2 TRP 5 2HB TRP 5 6.254 -3.672 -9.051 49 HB3 TRP 5 3HB TRP 5 6.232 -4.550 -10.577 50 H LEU 6 H LEU 6 7.532 -4.425 -7.446 51 HA LEU 6 HA LEU 6 9.985 -5.440 -8.403 52 HG LEU 6 HG LEU 6 9.052 -2.912 -8.251 53 HB2 LEU 6 2HB LEU 6 9.569 -4.175 -5.710 54 HB3 LEU 6 3HB LEU 6 11.023 -4.161 -6.706 55 HD11 LEU 6 1HD1 LEU 6 7.684 -2.705 -6.225 56 HD12 LEU 6 2HD1 LEU 6 8.227 -1.137 -6.819 57 HD13 LEU 6 3HD1 LEU 6 9.013 -1.869 -5.422 58 HD21 LEU 6 3HD2 LEU 6 11.445 -2.009 -6.692 59 HD22 LEU 6 1HD2 LEU 6 10.455 -0.851 -7.581 60 HD23 LEU 6 2HD2 LEU 6 11.246 -2.175 -8.438 61 H ALA 7 H ALA 7 7.806 -6.492 -5.914 62 HA ALA 7 HA ALA 7 9.584 -8.080 -4.407 63 HB1 ALA 7 1HB ALA 7 6.701 -7.695 -4.591 64 HB2 ALA 7 2HB ALA 7 7.160 -9.344 -4.166 65 HB3 ALA 7 3HB ALA 7 7.719 -7.992 -3.182 66 H TRP 8 H TRP 8 7.914 -8.613 -7.418 67 HA TRP 8 HA TRP 8 8.543 -11.455 -7.424 68 HD1 TRP 8 HD1 TRP 8 6.081 -10.387 -6.295 69 HE1 TRP 8 HE1 TRP 8 4.024 -11.884 -5.904 70 HE3 TRP 8 HE3 TRP 8 5.854 -12.667 -10.866 71 HZ2 TRP 8 HZ2 TRP 8 2.506 -13.780 -7.342 72 HZ3 TRP 8 HZ3 TRP 8 4.069 -14.311 -11.276 73 HH2 TRP 8 HH2 TRP 8 2.431 -14.854 -9.549 74 HB2 TRP 8 2HB TRP 8 6.962 -9.637 -9.211 75 HB3 TRP 8 3HB TRP 8 7.498 -11.205 -9.810 76 H VAL 9 H VAL 9 9.738 -8.468 -8.724 77 HA VAL 9 HA VAL 9 11.394 -9.697 -10.735 78 HB VAL 9 HB VAL 9 11.443 -6.884 -9.634 79 HG11 VAL 9 1HG1 VAL 9 13.147 -8.300 -11.539 80 HG12 VAL 9 2HG1 VAL 9 12.480 -6.790 -12.165 81 HG13 VAL 9 3HG1 VAL 9 13.423 -6.788 -10.674 82 HG21 VAL 9 3HG2 VAL 9 9.337 -7.689 -10.810 83 HG22 VAL 9 1HG2 VAL 9 10.103 -6.240 -11.460 84 HG23 VAL 9 2HG2 VAL 9 10.319 -7.791 -12.271 85 H ASP 10 H ASP 10 11.719 -8.731 -7.406 86 HA ASP 10 HA ASP 10 14.464 -8.503 -7.138 87 HB2 ASP 10 2HB ASP 10 12.205 -9.065 -5.365 88 HB3 ASP 10 3HB ASP 10 13.712 -9.791 -4.815 89 HA PRO 11 HA PRO 11 14.781 -13.250 -6.330 90 HB2 PRO 11 2HB PRO 11 12.579 -14.758 -6.824 91 HB3 PRO 11 3HB PRO 11 12.904 -14.018 -5.252 92 HG2 PRO 11 2HG PRO 11 11.099 -13.082 -7.449 93 HG3 PRO 11 3HG PRO 11 10.809 -13.114 -5.700 94 HD2 PRO 11 2HD PRO 11 11.525 -10.859 -7.016 95 HD3 PRO 11 3HD PRO 11 12.007 -11.179 -5.338 96 H ALA 12 H ALA 12 12.981 -11.959 -8.999 97 HA ALA 12 HA ALA 12 13.393 -14.060 -10.850 98 HB1 ALA 12 1HB ALA 12 12.099 -12.804 -12.148 99 HB2 ALA 12 2HB ALA 12 12.049 -11.620 -10.841 100 HB3 ALA 12 3HB ALA 12 13.257 -11.474 -12.117 101 H TYR 13 H TYR 13 15.069 -10.935 -10.463 102 HA TYR 13 HA TYR 13 17.015 -11.295 -12.405 103 HD1 TYR 13 HD1 TYR 13 19.859 -10.352 -11.713 104 HD2 TYR 13 HD2 TYR 13 16.636 -7.619 -12.206 105 HE1 TYR 13 HE1 TYR 13 21.197 -9.076 -13.335 106 HE2 TYR 13 HE2 TYR 13 17.965 -6.336 -13.830 107 HH TYR 13 HH TYR 13 20.372 -7.346 -15.445 108 HB2 TYR 13 2HB TYR 13 16.426 -9.311 -10.656 109 HB3 TYR 13 3HB TYR 13 17.904 -9.936 -9.933 110 H GLU 14 H GLU 14 17.170 -12.110 -8.945 111 HA GLU 14 HA GLU 14 19.766 -13.123 -8.904 112 HB2 GLU 14 2HB GLU 14 17.370 -13.942 -7.253 113 HB3 GLU 14 3HB GLU 14 19.031 -14.393 -6.893 114 HG2 GLU 14 2HG GLU 14 19.324 -11.739 -7.045 115 HG3 GLU 14 3HG GLU 14 17.641 -11.819 -6.528 116 H PHE 15 H PHE 15 16.776 -14.566 -9.980 117 HA PHE 15 HA PHE 15 17.700 -17.253 -10.059 118 HD1 PHE 15 HD2 PHE 15 15.827 -18.826 -12.656 119 HD2 PHE 15 HD1 PHE 15 14.876 -17.741 -8.652 120 HE1 PHE 15 HE2 PHE 15 15.114 -21.136 -12.204 121 HE2 PHE 15 HE1 PHE 15 14.162 -20.050 -8.192 122 HZ PHE 15 HZ PHE 15 14.279 -21.751 -9.970 123 HB2 PHE 15 2HB PHE 15 15.258 -16.061 -10.329 124 HB3 PHE 15 3HB PHE 15 15.615 -16.498 -11.997 125 H ILE 16 H ILE 16 17.467 -14.680 -12.487 126 HA ILE 16 HA ILE 16 18.331 -16.163 -14.698 127 HB ILE 16 HB ILE 16 18.776 -13.221 -14.177 128 HG12 ILE 16 2HG1 ILE 16 16.417 -13.793 -13.988 129 HG13 ILE 16 3HG1 ILE 16 16.697 -12.916 -15.489 130 HG21 ILE 16 1HG2 ILE 16 18.455 -13.486 -16.857 131 HG22 ILE 16 2HG2 ILE 16 20.016 -13.420 -16.040 132 HG23 ILE 16 3HG2 ILE 16 19.310 -14.978 -16.467 133 HD11 ILE 16 3HD1 ILE 16 15.848 -15.703 -15.047 134 HD12 ILE 16 1HD1 ILE 16 15.402 -14.562 -16.315 135 HD13 ILE 16 2HD1 ILE 16 16.945 -15.414 -16.397 136 H LYS 17 H LYS 17 20.079 -14.811 -12.030 137 HA LYS 17 HA LYS 17 22.649 -14.700 -13.196 138 HB2 LYS 17 2HB LYS 17 21.789 -15.047 -10.320 139 HB3 LYS 17 3HB LYS 17 23.453 -14.776 -10.821 140 HG2 LYS 17 2HG LYS 17 21.930 -12.757 -12.038 141 HG3 LYS 17 3HG LYS 17 21.363 -12.877 -10.371 142 HD2 LYS 17 2HD LYS 17 24.288 -12.765 -11.047 143 HD3 LYS 17 3HD LYS 17 23.323 -11.301 -10.848 144 HE2 LYS 17 2HE LYS 17 22.875 -13.155 -8.679 145 HE3 LYS 17 3HE LYS 17 24.588 -12.775 -8.846 146 HZ1 LYS 17 3HZ LYS 17 23.131 -10.399 -9.101 147 HZ2 LYS 17 1HZ LYS 17 24.214 -10.837 -7.877 148 HZ3 LYS 17 2HZ LYS 17 22.570 -11.200 -7.721 149 H GLY 18 H GLY 18 20.807 -17.288 -11.709 150 HA2 GLY 18 2HA GLY 18 23.079 -19.099 -11.713 151 HA3 GLY 18 3HA GLY 18 21.444 -19.474 -11.188 152 H PHE 19 H PHE 19 20.449 -18.284 -13.799 153 HA PHE 19 HA PHE 19 20.382 -20.749 -15.241 154 HD1 PHE 19 HD2 PHE 19 19.376 -21.211 -17.550 155 HD2 PHE 19 HD1 PHE 19 16.731 -19.139 -14.937 156 HE1 PHE 19 HE2 PHE 19 17.611 -22.854 -18.039 157 HE2 PHE 19 HE1 PHE 19 14.962 -20.780 -15.420 158 HZ PHE 19 HZ PHE 19 15.401 -22.639 -16.974 159 HB2 PHE 19 2HB PHE 19 18.866 -18.368 -15.182 160 HB3 PHE 19 3HB PHE 19 19.471 -18.529 -16.827 161 H GLY 20 H GLY 20 22.250 -17.819 -15.438 162 HA2 GLY 20 2HA GLY 20 23.949 -19.059 -17.452 163 HA3 GLY 20 3HA GLY 20 23.172 -17.555 -17.924 164 H LYS 21 H LYS 21 24.863 -18.772 -15.026 165 HA LYS 21 HA LYS 21 25.906 -16.272 -14.281 166 HB2 LYS 21 2HB LYS 21 27.362 -17.520 -12.775 167 HB3 LYS 21 3HB LYS 21 25.731 -18.178 -12.737 168 HG2 LYS 21 2HG LYS 21 27.477 -19.468 -14.692 169 HG3 LYS 21 3HG LYS 21 28.020 -19.632 -13.020 170 HD2 LYS 21 2HD LYS 21 25.145 -20.071 -13.433 171 HD3 LYS 21 3HD LYS 21 26.195 -21.251 -14.221 172 HE2 LYS 21 2HE LYS 21 26.770 -20.521 -11.397 173 HE3 LYS 21 3HE LYS 21 25.377 -21.552 -11.720 174 HZ1 LYS 21 3HZ LYS 21 26.678 -23.274 -12.282 175 HZ2 LYS 21 1HZ LYS 21 27.866 -22.460 -11.394 176 HZ3 LYS 21 2HZ LYS 21 27.820 -22.313 -13.078 177 H GLY 22 H GLY 22 26.837 -18.453 -16.743 178 HA2 GLY 22 2HA GLY 22 29.570 -17.442 -16.888 179 HA3 GLY 22 3HA GLY 22 28.870 -18.699 -17.896 180 H ALA 23 H ALA 23 26.526 -17.167 -18.627 181 HA ALA 23 HA ALA 23 27.629 -15.765 -20.859 182 HB1 ALA 23 1HB ALA 23 25.499 -15.705 -21.706 183 HB2 ALA 23 2HB ALA 23 25.376 -17.086 -20.614 184 HB3 ALA 23 3HB ALA 23 24.755 -15.511 -20.118 185 H ILE 24 H ILE 24 28.642 -13.884 -20.465 186 HA ILE 24 HA ILE 24 27.724 -12.036 -18.461 187 HB ILE 24 HB ILE 24 29.815 -11.577 -20.588 188 HG12 ILE 24 2HG1 ILE 24 30.381 -13.561 -19.283 189 HG13 ILE 24 3HG1 ILE 24 31.451 -12.229 -18.857 190 HG21 ILE 24 1HG2 ILE 24 29.321 -9.494 -19.700 191 HG22 ILE 24 2HG2 ILE 24 29.018 -10.141 -18.089 192 HG23 ILE 24 3HG2 ILE 24 30.669 -10.030 -18.698 193 HD11 ILE 24 3HD1 ILE 24 30.910 -13.204 -16.822 194 HD12 ILE 24 1HD1 ILE 24 29.833 -11.811 -16.919 195 HD13 ILE 24 2HD1 ILE 24 29.218 -13.427 -17.268 196 H LYS 25 H LYS 25 27.249 -12.499 -21.852 197 HA LYS 25 HA LYS 25 26.576 -9.905 -22.653 198 HB2 LYS 25 2HB LYS 25 25.328 -10.991 -24.482 199 HB3 LYS 25 3HB LYS 25 26.924 -11.697 -24.260 200 HG2 LYS 25 2HG LYS 25 25.789 -13.629 -24.400 201 HG3 LYS 25 3HG LYS 25 25.472 -13.328 -22.690 202 HD2 LYS 25 2HD LYS 25 23.351 -13.766 -23.496 203 HD3 LYS 25 3HD LYS 25 23.414 -12.004 -23.586 204 HE2 LYS 25 2HE LYS 25 24.473 -13.125 -25.998 205 HE3 LYS 25 3HE LYS 25 22.895 -13.838 -25.665 206 HZ1 LYS 25 3HZ LYS 25 22.913 -11.720 -27.007 207 HZ2 LYS 25 1HZ LYS 25 23.355 -10.915 -25.586 208 HZ3 LYS 25 2HZ LYS 25 21.880 -11.738 -25.667 209 H GLU 26 H GLU 26 24.699 -12.381 -21.013 210 HA GLU 26 HA GLU 26 22.150 -11.257 -21.306 211 HB2 GLU 26 2HB GLU 26 23.268 -12.911 -19.035 212 HB3 GLU 26 3HB GLU 26 21.561 -12.568 -19.280 213 HG2 GLU 26 2HG GLU 26 23.276 -13.984 -21.302 214 HG3 GLU 26 3HG GLU 26 22.330 -14.813 -20.066 215 H GLY 27 H GLY 27 24.778 -10.512 -19.118 216 HA2 GLY 27 2HA GLY 27 24.076 -7.931 -18.556 217 HA3 GLY 27 3HA GLY 27 23.201 -8.877 -17.362 218 H ASN 28 H ASN 28 24.319 -9.908 -15.713 219 HA ASN 28 HA ASN 28 25.927 -10.010 -14.099 220 HB2 ASN 28 2HB ASN 28 26.799 -11.449 -16.115 221 HB3 ASN 28 3HB ASN 28 28.006 -10.174 -16.251 222 HD21 ASN 28 1HD2 ASN 28 26.666 -12.619 -14.126 223 HD22 ASN 28 2HD2 ASN 28 28.063 -12.780 -13.122 224 H LYS 29 H LYS 29 25.214 -7.410 -14.653 225 HA LYS 29 HA LYS 29 27.195 -5.608 -15.332 226 HB2 LYS 29 2HB LYS 29 24.843 -5.463 -13.482 227 HB3 LYS 29 3HB LYS 29 25.963 -4.110 -13.572 228 HG2 LYS 29 2HG LYS 29 25.266 -3.491 -15.625 229 HG3 LYS 29 3HG LYS 29 24.979 -5.152 -16.149 230 HD2 LYS 29 2HD LYS 29 23.023 -5.030 -14.401 231 HD3 LYS 29 3HD LYS 29 23.189 -3.290 -14.653 232 HE2 LYS 29 2HE LYS 29 22.708 -3.485 -16.960 233 HE3 LYS 29 3HE LYS 29 22.902 -5.237 -16.928 234 HZ1 LYS 29 3HZ LYS 29 20.948 -5.114 -15.256 235 HZ2 LYS 29 1HZ LYS 29 20.632 -4.997 -16.914 236 HZ3 LYS 29 2HZ LYS 29 20.658 -3.602 -15.958 237 H ASP 30 H ASP 30 26.804 -7.459 -12.411 238 HA ASP 30 HA ASP 30 28.841 -5.941 -10.995 239 HB2 ASP 30 2HB ASP 30 27.542 -8.504 -10.076 240 HB3 ASP 30 3HB ASP 30 28.312 -7.262 -9.091 241 H LYS 31 H LYS 31 29.929 -6.924 -13.265 242 HA LYS 31 HA LYS 31 31.240 -9.452 -12.716 243 HB2 LYS 31 2HB LYS 31 32.284 -9.143 -14.913 244 HB3 LYS 31 3HB LYS 31 30.538 -8.948 -15.002 245 HG2 LYS 31 2HG LYS 31 31.371 -6.385 -14.574 246 HG3 LYS 31 3HG LYS 31 32.676 -7.040 -15.565 247 HD2 LYS 31 2HD LYS 31 31.166 -7.638 -17.303 248 HD3 LYS 31 3HD LYS 31 29.763 -7.319 -16.280 249 HE2 LYS 31 2HE LYS 31 30.370 -4.939 -16.219 250 HE3 LYS 31 3HE LYS 31 31.745 -5.271 -17.271 251 HZ1 LYS 31 3HZ LYS 31 28.871 -5.575 -17.947 252 HZ2 LYS 31 1HZ LYS 31 30.136 -6.096 -18.942 253 HZ3 LYS 31 2HZ LYS 31 29.958 -4.451 -18.593 254 H TRP 32 H TRP 32 31.894 -6.064 -12.435 255 HA TRP 32 HA TRP 32 34.717 -6.168 -12.383 256 HD1 TRP 32 HD1 TRP 32 31.035 -3.848 -12.692 257 HE1 TRP 32 HE1 TRP 32 29.336 -3.186 -10.875 258 HE3 TRP 32 HE3 TRP 32 34.073 -4.154 -8.592 259 HZ2 TRP 32 HZ2 TRP 32 29.291 -2.839 -8.074 260 HZ3 TRP 32 HZ3 TRP 32 33.124 -3.640 -6.380 261 HH2 TRP 32 HH2 TRP 32 30.783 -2.996 -6.129 262 HB2 TRP 32 2HB TRP 32 34.505 -3.970 -11.159 263 HB3 TRP 32 3HB TRP 32 33.669 -4.046 -12.707 264 H LYS 33 H LYS 33 32.353 -7.185 -10.146 265 HA LYS 33 HA LYS 33 33.653 -6.808 -7.699 266 HB2 LYS 33 2HB LYS 33 31.878 -9.127 -8.480 267 HB3 LYS 33 3HB LYS 33 32.224 -8.582 -6.844 268 HG2 LYS 33 2HG LYS 33 30.963 -6.729 -8.822 269 HG3 LYS 33 3HG LYS 33 29.992 -7.917 -7.950 270 HD2 LYS 33 2HD LYS 33 31.838 -5.994 -6.555 271 HD3 LYS 33 3HD LYS 33 30.155 -5.603 -6.917 272 HE2 LYS 33 2HE LYS 33 29.533 -6.664 -5.069 273 HE3 LYS 33 3HE LYS 33 30.178 -8.166 -5.731 274 HZ1 LYS 33 3HZ LYS 33 31.670 -8.123 -4.114 275 HZ2 LYS 33 1HZ LYS 33 31.171 -6.590 -3.601 276 HZ3 LYS 33 2HZ LYS 33 32.352 -6.736 -4.803 277 H ASN 34 H ASN 34 34.284 -9.014 -10.280 278 HA ASN 34 HA ASN 34 35.892 -10.794 -8.654 279 HB2 ASN 34 2HB ASN 34 34.769 -10.815 -11.349 280 HB3 ASN 34 3HB ASN 34 36.431 -11.398 -11.305 281 HD21 ASN 34 1HD2 ASN 34 33.422 -11.725 -9.450 282 HD22 ASN 34 2HD2 ASN 34 33.557 -13.430 -9.210 283 H ILE 35 H ILE 35 36.392 -7.780 -9.640 284 HA ILE 35 HA ILE 35 39.121 -8.131 -10.615 285 HB ILE 35 HB ILE 35 37.660 -5.535 -10.146 286 HG12 ILE 35 2HG1 ILE 35 36.422 -6.980 -11.730 287 HG13 ILE 35 3HG1 ILE 35 37.091 -5.552 -12.514 288 HG21 ILE 35 1HG2 ILE 35 40.222 -6.315 -11.462 289 HG22 ILE 35 2HG2 ILE 35 39.340 -4.902 -12.040 290 HG23 ILE 35 3HG2 ILE 35 39.884 -4.977 -10.364 291 HD11 ILE 35 3HD1 ILE 35 38.911 -7.798 -12.624 292 HD12 ILE 35 1HD1 ILE 35 37.347 -8.167 -13.351 293 HD13 ILE 35 2HD1 ILE 35 38.281 -6.784 -13.922 Start of MODEL 3 1 HA LYS 1 HA LYS 1 -3.967 -3.405 -1.548 2 H1 LYS 1 H LYS 1 -4.738 -2.063 0.336 3 HB2 LYS 1 2HB LYS 1 -1.921 -1.521 -0.383 4 HB3 LYS 1 3HB LYS 1 -1.710 -2.288 -1.952 5 HG2 LYS 1 2HG LYS 1 -4.265 -0.874 -1.497 6 HG3 LYS 1 3HG LYS 1 -2.813 0.118 -1.643 7 HD2 LYS 1 2HD LYS 1 -2.527 -1.678 -3.701 8 HD3 LYS 1 3HD LYS 1 -4.269 -1.390 -3.676 9 HE2 LYS 1 2HE LYS 1 -3.514 1.123 -3.491 10 HE3 LYS 1 3HE LYS 1 -2.031 0.504 -4.214 11 HZ1 LYS 1 3HZ LYS 1 -4.529 -0.308 -5.470 12 HZ2 LYS 1 1HZ LYS 1 -3.045 0.100 -6.173 13 HZ3 LYS 1 2HZ LYS 1 -4.094 1.317 -5.647 14 H LYS 2 H LYS 2 -3.371 -5.448 -1.780 15 HA LYS 2 HA LYS 2 -1.879 -6.912 0.093 16 HB2 LYS 2 2HB LYS 2 -1.830 -8.685 -1.590 17 HB3 LYS 2 3HB LYS 2 -3.430 -7.960 -1.491 18 HG2 LYS 2 2HG LYS 2 -2.523 -6.471 -3.455 19 HG3 LYS 2 3HG LYS 2 -1.417 -7.828 -3.675 20 HD2 LYS 2 2HD LYS 2 -3.355 -9.350 -3.794 21 HD3 LYS 2 3HD LYS 2 -4.433 -7.960 -3.648 22 HE2 LYS 2 2HE LYS 2 -2.403 -8.331 -5.847 23 HE3 LYS 2 3HE LYS 2 -4.111 -8.745 -5.985 24 HZ1 LYS 2 3HZ LYS 2 -4.364 -6.664 -6.695 25 HZ2 LYS 2 1HZ LYS 2 -2.835 -6.182 -6.154 26 HZ3 LYS 2 2HZ LYS 2 -4.148 -6.184 -5.088 27 H TRP 3 H TRP 3 -0.928 -5.087 -2.733 28 HA TRP 3 HA TRP 3 1.097 -4.571 -3.635 29 HD1 TRP 3 HD1 TRP 3 0.844 -2.439 -3.431 30 HE1 TRP 3 HE1 TRP 3 0.173 -0.251 -2.252 31 HE3 TRP 3 HE3 TRP 3 2.155 -3.662 1.357 32 HZ2 TRP 3 HZ2 TRP 3 0.197 0.815 0.361 33 HZ3 TRP 3 HZ3 TRP 3 1.799 -2.002 3.137 34 HH2 TRP 3 HH2 TRP 3 0.840 0.190 2.648 35 HB2 TRP 3 2HB TRP 3 1.870 -4.994 -0.746 36 HB3 TRP 3 3HB TRP 3 2.989 -4.377 -1.959 37 H GLY 4 H GLY 4 0.422 -7.075 -4.300 38 HA2 GLY 4 2HA GLY 4 2.642 -8.858 -3.647 39 HA3 GLY 4 3HA GLY 4 1.193 -9.288 -4.543 40 H TRP 5 H TRP 5 2.740 -6.383 -5.491 41 HA TRP 5 HA TRP 5 3.369 -7.509 -8.067 42 HD1 TRP 5 HD1 TRP 5 1.099 -7.005 -8.082 43 HE1 TRP 5 HE1 TRP 5 -1.092 -5.658 -8.169 44 HE3 TRP 5 HE3 TRP 5 3.019 -2.297 -7.546 45 HZ2 TRP 5 HZ2 TRP 5 -1.900 -2.957 -8.030 46 HZ3 TRP 5 HZ3 TRP 5 1.469 -0.386 -7.534 47 HH2 TRP 5 HH2 TRP 5 -0.939 -0.711 -7.772 48 HB2 TRP 5 2HB TRP 5 3.925 -4.721 -7.034 49 HB3 TRP 5 3HB TRP 5 3.923 -5.239 -8.718 50 H LEU 6 H LEU 6 5.291 -5.717 -5.650 51 HA LEU 6 HA LEU 6 7.781 -6.334 -6.835 52 HG LEU 6 HG LEU 6 6.005 -5.923 -3.712 53 HB2 LEU 6 2HB LEU 6 8.712 -5.616 -4.619 54 HB3 LEU 6 3HB LEU 6 7.674 -4.444 -5.427 55 HD11 LEU 6 1HD1 LEU 6 8.458 -6.345 -2.724 56 HD12 LEU 6 2HD1 LEU 6 7.025 -6.167 -1.712 57 HD13 LEU 6 3HD1 LEU 6 8.100 -4.793 -1.965 58 HD21 LEU 6 3HD2 LEU 6 6.997 -3.161 -4.015 59 HD22 LEU 6 1HD2 LEU 6 6.317 -3.577 -2.442 60 HD23 LEU 6 2HD2 LEU 6 5.346 -3.772 -3.901 61 H ALA 7 H ALA 7 5.729 -8.038 -4.623 62 HA ALA 7 HA ALA 7 7.653 -9.778 -3.500 63 HB1 ALA 7 1HB ALA 7 5.657 -9.700 -2.325 64 HB2 ALA 7 2HB ALA 7 4.675 -9.870 -3.780 65 HB3 ALA 7 3HB ALA 7 5.562 -11.257 -3.148 66 H TRP 8 H TRP 8 5.907 -9.785 -6.516 67 HA TRP 8 HA TRP 8 6.703 -12.516 -7.131 68 HD1 TRP 8 HD1 TRP 8 4.168 -11.782 -5.757 69 HE1 TRP 8 HE1 TRP 8 2.234 -13.476 -5.618 70 HE3 TRP 8 HE3 TRP 8 4.034 -13.264 -10.648 71 HZ2 TRP 8 HZ2 TRP 8 0.838 -15.211 -7.353 72 HZ3 TRP 8 HZ3 TRP 8 2.370 -14.945 -11.326 73 HH2 TRP 8 HH2 TRP 8 0.806 -15.897 -9.711 74 HB2 TRP 8 2HB TRP 8 4.954 -10.476 -8.466 75 HB3 TRP 8 3HB TRP 8 5.554 -11.855 -9.383 76 H VAL 9 H VAL 9 7.652 -9.248 -7.829 77 HA VAL 9 HA VAL 9 9.316 -9.938 -10.077 78 HB VAL 9 HB VAL 9 9.212 -7.392 -8.453 79 HG11 VAL 9 1HG1 VAL 9 10.158 -6.642 -10.852 80 HG12 VAL 9 2HG1 VAL 9 11.195 -7.074 -9.492 81 HG13 VAL 9 3HG1 VAL 9 10.850 -8.260 -10.751 82 HG21 VAL 9 3HG2 VAL 9 7.124 -8.128 -9.719 83 HG22 VAL 9 1HG2 VAL 9 7.748 -6.516 -10.067 84 HG23 VAL 9 2HG2 VAL 9 8.054 -7.841 -11.190 85 H ASP 10 H ASP 10 9.680 -9.655 -6.635 86 HA ASP 10 HA ASP 10 12.412 -9.258 -6.378 87 HB2 ASP 10 2HB ASP 10 10.252 -10.164 -4.700 88 HB3 ASP 10 3HB ASP 10 11.698 -11.120 -4.388 89 HA PRO 11 HA PRO 11 13.097 -14.032 -6.540 90 HB2 PRO 11 2HB PRO 11 10.992 -15.577 -7.282 91 HB3 PRO 11 3HB PRO 11 11.317 -15.140 -5.601 92 HG2 PRO 11 2HG PRO 11 9.376 -13.930 -7.532 93 HG3 PRO 11 3HG PRO 11 9.148 -14.329 -5.819 94 HD2 PRO 11 2HD PRO 11 9.655 -11.810 -6.673 95 HD3 PRO 11 3HD PRO 11 10.216 -12.417 -5.102 96 H ALA 12 H ALA 12 11.098 -12.398 -8.864 97 HA ALA 12 HA ALA 12 11.723 -14.068 -11.095 98 HB1 ALA 12 1HB ALA 12 9.715 -12.581 -10.924 99 HB2 ALA 12 2HB ALA 12 10.790 -11.206 -11.179 100 HB3 ALA 12 3HB ALA 12 10.619 -12.436 -12.432 101 H TYR 13 H TYR 13 12.864 -10.859 -10.050 102 HA TYR 13 HA TYR 13 14.732 -10.490 -12.108 103 HD1 TYR 13 HD2 TYR 13 14.175 -7.686 -12.463 104 HD2 TYR 13 HD1 TYR 13 17.413 -8.649 -9.876 105 HE1 TYR 13 HE2 TYR 13 15.602 -6.079 -13.660 106 HE2 TYR 13 HE1 TYR 13 18.848 -7.043 -11.065 107 HH TYR 13 HH TYR 13 18.661 -6.034 -13.734 108 HB2 TYR 13 2HB TYR 13 13.825 -8.843 -10.282 109 HB3 TYR 13 3HB TYR 13 15.217 -9.399 -9.359 110 H GLU 14 H GLU 14 15.178 -11.740 -8.805 111 HA GLU 14 HA GLU 14 17.924 -12.220 -8.962 112 HB2 GLU 14 2HB GLU 14 17.679 -13.556 -7.018 113 HB3 GLU 14 3HB GLU 14 16.466 -12.290 -6.896 114 HG2 GLU 14 2HG GLU 14 14.751 -13.841 -7.654 115 HG3 GLU 14 3HG GLU 14 15.962 -15.112 -7.814 116 H PHE 15 H PHE 15 15.219 -14.016 -10.206 117 HA PHE 15 HA PHE 15 16.557 -16.484 -10.617 118 HD1 PHE 15 HD1 PHE 15 14.924 -16.876 -8.915 119 HD2 PHE 15 HD2 PHE 15 13.484 -18.276 -12.668 120 HE1 PHE 15 HE1 PHE 15 14.283 -19.009 -7.869 121 HE2 PHE 15 HE2 PHE 15 12.840 -20.411 -11.628 122 HZ PHE 15 HZ PHE 15 13.238 -20.779 -9.226 123 HB2 PHE 15 2HB PHE 15 13.954 -15.371 -11.150 124 HB3 PHE 15 3HB PHE 15 14.539 -16.237 -12.567 125 H ILE 16 H ILE 16 16.050 -13.627 -12.629 126 HA ILE 16 HA ILE 16 17.041 -14.617 -15.043 127 HB ILE 16 HB ILE 16 17.252 -11.797 -13.982 128 HG12 ILE 16 2HG1 ILE 16 14.942 -12.653 -14.031 129 HG13 ILE 16 3HG1 ILE 16 15.187 -11.389 -15.232 130 HG21 ILE 16 1HG2 ILE 16 17.513 -12.905 -16.772 131 HG22 ILE 16 2HG2 ILE 16 17.337 -11.191 -16.396 132 HG23 ILE 16 3HG2 ILE 16 18.752 -12.078 -15.828 133 HD11 ILE 16 3HD1 ILE 16 15.109 -14.352 -15.749 134 HD12 ILE 16 1HD1 ILE 16 13.855 -13.178 -16.148 135 HD13 ILE 16 2HD1 ILE 16 15.418 -13.112 -16.963 136 H LYS 17 H LYS 17 18.684 -13.653 -12.149 137 HA LYS 17 HA LYS 17 21.240 -13.142 -13.218 138 HB2 LYS 17 2HB LYS 17 20.438 -14.168 -10.489 139 HB3 LYS 17 3HB LYS 17 22.050 -13.603 -10.908 140 HG2 LYS 17 2HG LYS 17 19.587 -11.894 -11.137 141 HG3 LYS 17 3HG LYS 17 20.610 -11.951 -9.700 142 HD2 LYS 17 2HD LYS 17 22.527 -11.224 -11.036 143 HD3 LYS 17 3HD LYS 17 21.507 -11.174 -12.476 144 HE2 LYS 17 2HE LYS 17 20.195 -9.399 -11.572 145 HE3 LYS 17 3HE LYS 17 20.957 -9.562 -9.991 146 HZ1 LYS 17 3HZ LYS 17 22.542 -8.169 -10.615 147 HZ2 LYS 17 1HZ LYS 17 21.740 -7.921 -12.084 148 HZ3 LYS 17 2HZ LYS 17 22.928 -9.118 -11.961 149 H GLY 18 H GLY 18 19.581 -16.105 -12.359 150 HA2 GLY 18 2HA GLY 18 22.013 -17.658 -12.921 151 HA3 GLY 18 3HA GLY 18 20.570 -18.268 -12.126 152 H PHE 19 H PHE 19 18.883 -16.912 -14.215 153 HA PHE 19 HA PHE 19 18.499 -19.110 -15.898 154 HD1 PHE 19 HD2 PHE 19 15.575 -18.596 -14.831 155 HD2 PHE 19 HD1 PHE 19 16.831 -17.882 -18.835 156 HE1 PHE 19 HE2 PHE 19 13.736 -20.007 -15.656 157 HE2 PHE 19 HE1 PHE 19 14.993 -19.292 -19.666 158 HZ PHE 19 HZ PHE 19 13.444 -20.358 -18.076 159 HB2 PHE 19 2HB PHE 19 17.116 -16.805 -15.363 160 HB3 PHE 19 3HB PHE 19 17.651 -16.528 -17.017 161 H GLY 20 H GLY 20 20.632 -16.385 -16.155 162 HA2 GLY 20 2HA GLY 20 21.871 -17.583 -18.495 163 HA3 GLY 20 3HA GLY 20 21.186 -15.984 -18.740 164 H LYS 21 H LYS 21 23.066 -17.497 -16.116 165 HA LYS 21 HA LYS 21 24.493 -15.163 -15.478 166 HB2 LYS 21 2HB LYS 21 25.950 -16.621 -14.166 167 HB3 LYS 21 3HB LYS 21 24.262 -17.056 -13.933 168 HG2 LYS 21 2HG LYS 21 25.646 -18.516 -16.074 169 HG3 LYS 21 3HG LYS 21 26.237 -18.822 -14.440 170 HD2 LYS 21 2HD LYS 21 23.353 -18.802 -14.504 171 HD3 LYS 21 3HD LYS 21 23.999 -19.956 -15.673 172 HE2 LYS 21 2HE LYS 21 25.316 -21.018 -13.938 173 HE3 LYS 21 3HE LYS 21 24.778 -19.820 -12.762 174 HZ1 LYS 21 3HZ LYS 21 22.942 -21.658 -14.195 175 HZ2 LYS 21 1HZ LYS 21 22.566 -20.642 -12.896 176 HZ3 LYS 21 2HZ LYS 21 23.578 -21.975 -12.660 177 H GLY 22 H GLY 22 24.861 -17.388 -18.047 178 HA2 GLY 22 2HA GLY 22 27.655 -17.100 -18.496 179 HA3 GLY 22 3HA GLY 22 26.472 -17.670 -19.664 180 H ALA 23 H ALA 23 24.917 -15.116 -19.251 181 HA ALA 23 HA ALA 23 25.924 -13.696 -21.447 182 HB1 ALA 23 1HB ALA 23 23.866 -12.880 -21.307 183 HB2 ALA 23 2HB ALA 23 23.689 -13.501 -19.665 184 HB3 ALA 23 3HB ALA 23 24.383 -11.902 -19.933 185 H ILE 24 H ILE 24 27.357 -12.078 -21.659 186 HA ILE 24 HA ILE 24 28.947 -11.350 -19.351 187 HB ILE 24 HB ILE 24 29.226 -10.518 -22.242 188 HG12 ILE 24 2HG1 ILE 24 31.312 -12.109 -21.873 189 HG13 ILE 24 3HG1 ILE 24 30.277 -12.804 -20.631 190 HG21 ILE 24 1HG2 ILE 24 30.898 -10.009 -19.807 191 HG22 ILE 24 2HG2 ILE 24 31.611 -10.019 -21.419 192 HG23 ILE 24 3HG2 ILE 24 30.335 -8.867 -21.028 193 HD11 ILE 24 3HD1 ILE 24 29.347 -12.439 -23.456 194 HD12 ILE 24 1HD1 ILE 24 30.221 -13.876 -22.925 195 HD13 ILE 24 2HD1 ILE 24 28.667 -13.469 -22.196 196 H LYS 25 H LYS 25 26.423 -9.987 -21.278 197 HA LYS 25 HA LYS 25 26.837 -7.256 -20.857 198 HB2 LYS 25 2HB LYS 25 24.418 -7.011 -21.281 199 HB3 LYS 25 3HB LYS 25 25.195 -8.070 -22.451 200 HG2 LYS 25 2HG LYS 25 23.450 -9.409 -22.027 201 HG3 LYS 25 3HG LYS 25 24.391 -9.874 -20.608 202 HD2 LYS 25 2HD LYS 25 22.282 -9.385 -19.738 203 HD3 LYS 25 3HD LYS 25 23.207 -7.912 -19.438 204 HE2 LYS 25 2HE LYS 25 22.067 -6.712 -21.023 205 HE3 LYS 25 3HE LYS 25 21.689 -8.138 -21.988 206 HZ1 LYS 25 3HZ LYS 25 20.375 -7.224 -19.498 207 HZ2 LYS 25 1HZ LYS 25 20.170 -8.790 -20.105 208 HZ3 LYS 25 2HZ LYS 25 19.679 -7.457 -21.022 209 H GLU 26 H GLU 26 25.269 -9.690 -18.842 210 HA GLU 26 HA GLU 26 24.260 -7.874 -16.908 211 HB2 GLU 26 2HB GLU 26 24.940 -10.787 -16.492 212 HB3 GLU 26 3HB GLU 26 23.812 -9.817 -15.556 213 HG2 GLU 26 2HG GLU 26 22.418 -9.572 -17.595 214 HG3 GLU 26 3HG GLU 26 23.509 -10.685 -18.420 215 H GLY 27 H GLY 27 27.342 -9.405 -17.407 216 HA2 GLY 27 2HA GLY 27 29.100 -7.929 -16.227 217 HA3 GLY 27 3HA GLY 27 28.271 -8.469 -14.775 218 H ASN 28 H ASN 28 30.867 -9.031 -16.722 219 HA ASN 28 HA ASN 28 31.018 -11.832 -16.851 220 HB2 ASN 28 2HB ASN 28 32.574 -9.763 -17.742 221 HB3 ASN 28 3HB ASN 28 33.579 -10.439 -16.464 222 HD21 ASN 28 1HD2 ASN 28 33.437 -10.453 -19.571 223 HD22 ASN 28 2HD2 ASN 28 33.799 -12.098 -19.955 224 H LYS 29 H LYS 29 33.322 -12.652 -15.675 225 HA LYS 29 HA LYS 29 32.493 -13.020 -12.953 226 HB2 LYS 29 2HB LYS 29 34.859 -13.988 -14.548 227 HB3 LYS 29 3HB LYS 29 34.678 -14.340 -12.835 228 HG2 LYS 29 2HG LYS 29 33.790 -16.224 -13.804 229 HG3 LYS 29 3HG LYS 29 32.346 -15.245 -13.535 230 HD2 LYS 29 2HD LYS 29 32.134 -14.713 -15.785 231 HD3 LYS 29 3HD LYS 29 33.829 -15.063 -16.129 232 HE2 LYS 29 2HE LYS 29 33.446 -17.267 -16.425 233 HE3 LYS 29 3HE LYS 29 32.241 -17.336 -15.140 234 HZ1 LYS 29 3HZ LYS 29 31.384 -15.823 -17.427 235 HZ2 LYS 29 1HZ LYS 29 30.589 -17.059 -16.589 236 HZ3 LYS 29 2HZ LYS 29 31.713 -17.441 -17.792 237 H ASP 30 H ASP 30 34.670 -10.929 -14.619 238 HA ASP 30 HA ASP 30 35.312 -9.596 -12.118 239 HB2 ASP 30 2HB ASP 30 37.782 -9.484 -12.988 240 HB3 ASP 30 3HB ASP 30 37.232 -10.890 -12.080 241 H LYS 31 H LYS 31 33.737 -9.008 -14.510 242 HA LYS 31 HA LYS 31 34.997 -7.279 -16.289 243 HB2 LYS 31 2HB LYS 31 32.770 -6.345 -16.713 244 HB3 LYS 31 3HB LYS 31 32.719 -8.101 -16.624 245 HG2 LYS 31 2HG LYS 31 30.920 -7.663 -15.335 246 HG3 LYS 31 3HG LYS 31 32.154 -7.545 -14.078 247 HD2 LYS 31 2HD LYS 31 32.220 -5.026 -14.915 248 HD3 LYS 31 3HD LYS 31 30.566 -5.408 -15.400 249 HE2 LYS 31 2HE LYS 31 29.982 -6.008 -13.156 250 HE3 LYS 31 3HE LYS 31 31.661 -5.886 -12.633 251 HZ1 LYS 31 3HZ LYS 31 30.072 -3.602 -13.668 252 HZ2 LYS 31 1HZ LYS 31 31.615 -3.538 -12.976 253 HZ3 LYS 31 2HZ LYS 31 30.278 -3.947 -12.024 254 H TRP 32 H TRP 32 34.102 -6.816 -12.982 255 HA TRP 32 HA TRP 32 34.055 -3.975 -12.979 256 HD1 TRP 32 HD1 TRP 32 33.244 -7.835 -11.067 257 HE1 TRP 32 HE1 TRP 32 34.813 -9.373 -9.726 258 HE3 TRP 32 HE3 TRP 32 36.703 -4.374 -9.587 259 HZ2 TRP 32 HZ2 TRP 32 37.201 -9.149 -8.237 260 HZ3 TRP 32 HZ3 TRP 32 38.599 -5.117 -8.206 261 HH2 TRP 32 HH2 TRP 32 38.841 -7.456 -7.546 262 HB2 TRP 32 2HB TRP 32 34.293 -4.218 -10.509 263 HB3 TRP 32 3HB TRP 32 32.991 -5.193 -11.184 264 H LYS 33 H LYS 33 36.585 -6.341 -12.860 265 HA LYS 33 HA LYS 33 38.619 -4.747 -11.719 266 HB2 LYS 33 2HB LYS 33 38.826 -7.071 -13.643 267 HB3 LYS 33 3HB LYS 33 40.173 -6.384 -12.745 268 HG2 LYS 33 2HG LYS 33 38.889 -6.941 -10.642 269 HG3 LYS 33 3HG LYS 33 37.797 -7.873 -11.669 270 HD2 LYS 33 2HD LYS 33 39.350 -9.444 -10.891 271 HD3 LYS 33 3HD LYS 33 39.902 -9.054 -12.522 272 HE2 LYS 33 2HE LYS 33 41.267 -7.208 -11.143 273 HE3 LYS 33 3HE LYS 33 41.127 -8.446 -9.896 274 HZ1 LYS 33 3HZ LYS 33 42.836 -8.381 -12.147 275 HZ2 LYS 33 1HZ LYS 33 41.854 -9.757 -12.221 276 HZ3 LYS 33 2HZ LYS 33 42.817 -9.477 -10.858 277 H ASN 34 H ASN 34 37.219 -4.863 -14.878 278 HA ASN 34 HA ASN 34 39.409 -3.330 -16.052 279 HB2 ASN 34 2HB ASN 34 37.168 -4.946 -17.088 280 HB3 ASN 34 3HB ASN 34 37.534 -3.499 -18.022 281 HD21 ASN 34 1HD2 ASN 34 39.374 -6.028 -16.338 282 HD22 ASN 34 2HD2 ASN 34 40.459 -6.343 -17.644 283 H ILE 35 H ILE 35 36.844 -2.628 -14.187 284 HA ILE 35 HA ILE 35 35.523 -0.804 -13.823 285 HB ILE 35 HB ILE 35 37.790 0.623 -15.220 286 HG12 ILE 35 2HG1 ILE 35 38.518 -0.771 -13.307 287 HG13 ILE 35 3HG1 ILE 35 38.725 0.949 -12.996 288 HG21 ILE 35 1HG2 ILE 35 36.307 2.321 -15.078 289 HG22 ILE 35 2HG2 ILE 35 35.371 1.540 -13.805 290 HG23 ILE 35 3HG2 ILE 35 36.870 2.379 -13.408 291 HD11 ILE 35 3HD1 ILE 35 36.527 -0.817 -11.949 292 HD12 ILE 35 1HD1 ILE 35 37.871 -0.137 -11.033 293 HD13 ILE 35 2HD1 ILE 35 36.630 0.925 -11.697 Start of MODEL 4 1 HA LYS 1 HA LYS 1 -3.707 -2.378 -5.139 2 H1 LYS 1 H LYS 1 -3.587 -1.159 -3.149 3 HB2 LYS 1 2HB LYS 1 -0.774 -1.686 -4.885 4 HB3 LYS 1 3HB LYS 1 -1.628 -2.013 -6.388 5 HG2 LYS 1 2HG LYS 1 -1.708 0.244 -6.444 6 HG3 LYS 1 3HG LYS 1 -3.161 -0.036 -5.481 7 HD2 LYS 1 2HD LYS 1 -2.129 0.596 -3.505 8 HD3 LYS 1 3HD LYS 1 -0.510 0.278 -4.131 9 HE2 LYS 1 2HE LYS 1 -0.394 2.502 -4.389 10 HE3 LYS 1 3HE LYS 1 -1.385 2.229 -5.822 11 HZ1 LYS 1 3HZ LYS 1 -2.252 3.127 -3.142 12 HZ2 LYS 1 1HZ LYS 1 -3.349 2.492 -4.263 13 HZ3 LYS 1 2HZ LYS 1 -2.478 3.894 -4.632 14 H LYS 2 H LYS 2 -2.154 -3.958 -6.552 15 HA LYS 2 HA LYS 2 -2.311 -6.462 -5.226 16 HB2 LYS 2 2HB LYS 2 -1.034 -5.683 -7.853 17 HB3 LYS 2 3HB LYS 2 -1.225 -7.342 -7.301 18 HG2 LYS 2 2HG LYS 2 -3.129 -7.276 -8.470 19 HG3 LYS 2 3HG LYS 2 -3.765 -6.416 -7.065 20 HD2 LYS 2 2HD LYS 2 -2.481 -4.476 -8.626 21 HD3 LYS 2 3HD LYS 2 -3.380 -5.484 -9.763 22 HE2 LYS 2 2HE LYS 2 -5.289 -5.208 -7.966 23 HE3 LYS 2 3HE LYS 2 -4.371 -3.764 -7.541 24 HZ1 LYS 2 3HZ LYS 2 -6.243 -3.827 -9.435 25 HZ2 LYS 2 1HZ LYS 2 -4.869 -4.138 -10.373 26 HZ3 LYS 2 2HZ LYS 2 -4.952 -2.734 -9.434 27 H TRP 3 H TRP 3 0.325 -4.251 -5.949 28 HA TRP 3 HA TRP 3 2.491 -4.166 -5.263 29 HD1 TRP 3 HD1 TRP 3 1.766 -2.327 -4.149 30 HE1 TRP 3 HE1 TRP 3 0.371 -0.905 -2.519 31 HE3 TRP 3 HE3 TRP 3 0.529 -5.953 -0.763 32 HZ2 TRP 3 HZ2 TRP 3 -1.063 -1.272 -0.116 33 HZ3 TRP 3 HZ3 TRP 3 -0.857 -5.334 1.173 34 HH2 TRP 3 HH2 TRP 3 -1.635 -3.042 1.489 35 HB2 TRP 3 2HB TRP 3 1.499 -6.009 -3.078 36 HB3 TRP 3 3HB TRP 3 3.019 -5.120 -3.056 37 H GLY 4 H GLY 4 2.201 -5.797 -7.358 38 HA2 GLY 4 2HA GLY 4 3.436 -8.371 -6.743 39 HA3 GLY 4 3HA GLY 4 2.817 -7.862 -8.307 40 H TRP 5 H TRP 5 4.803 -5.599 -6.680 41 HA TRP 5 HA TRP 5 6.806 -5.810 -8.738 42 HD1 TRP 5 HD1 TRP 5 5.062 -4.545 -9.612 43 HE1 TRP 5 HE1 TRP 5 3.481 -2.564 -10.058 44 HE3 TRP 5 HE3 TRP 5 6.551 -1.449 -5.826 45 HZ2 TRP 5 HZ2 TRP 5 2.937 -0.025 -8.952 46 HZ3 TRP 5 HZ3 TRP 5 5.450 0.739 -5.590 47 HH2 TRP 5 HH2 TRP 5 3.681 1.435 -7.122 48 HB2 TRP 5 2HB TRP 5 6.790 -4.037 -6.287 49 HB3 TRP 5 3HB TRP 5 7.790 -3.838 -7.725 50 H LEU 6 H LEU 6 6.954 -5.906 -5.172 51 HA LEU 6 HA LEU 6 9.599 -6.947 -5.126 52 HG LEU 6 HG LEU 6 6.408 -7.240 -3.419 53 HB2 LEU 6 2HB LEU 6 9.165 -7.320 -2.726 54 HB3 LEU 6 3HB LEU 6 8.783 -5.685 -3.260 55 HD11 LEU 6 1HD1 LEU 6 7.259 -7.244 -0.590 56 HD12 LEU 6 2HD1 LEU 6 7.943 -8.497 -1.625 57 HD13 LEU 6 3HD1 LEU 6 6.193 -8.348 -1.461 58 HD21 LEU 6 3HD2 LEU 6 7.265 -5.051 -1.527 59 HD22 LEU 6 1HD2 LEU 6 5.607 -5.583 -1.806 60 HD23 LEU 6 2HD2 LEU 6 6.521 -4.827 -3.111 61 H ALA 7 H ALA 7 6.446 -8.374 -5.327 62 HA ALA 7 HA ALA 7 7.096 -10.973 -4.417 63 HB1 ALA 7 1HB ALA 7 5.046 -11.195 -6.330 64 HB2 ALA 7 2HB ALA 7 4.889 -11.128 -4.574 65 HB3 ALA 7 3HB ALA 7 4.817 -9.643 -5.523 66 H TRP 8 H TRP 8 7.580 -9.322 -7.432 67 HA TRP 8 HA TRP 8 8.196 -11.785 -8.855 68 HD1 TRP 8 HD1 TRP 8 5.632 -10.970 -8.696 69 HE1 TRP 8 HE1 TRP 8 3.729 -11.486 -10.350 70 HE3 TRP 8 HE3 TRP 8 7.949 -9.614 -13.046 71 HZ2 TRP 8 HZ2 TRP 8 3.271 -11.338 -13.131 72 HZ3 TRP 8 HZ3 TRP 8 6.709 -9.833 -15.160 73 HH2 TRP 8 HH2 TRP 8 4.419 -10.678 -15.200 74 HB2 TRP 8 2HB TRP 8 7.960 -8.899 -9.647 75 HB3 TRP 8 3HB TRP 8 8.772 -10.047 -10.708 76 H VAL 9 H VAL 9 9.807 -9.204 -7.208 77 HA VAL 9 HA VAL 9 12.369 -9.527 -8.407 78 HB VAL 9 HB VAL 9 11.644 -8.348 -5.721 79 HG11 VAL 9 1HG1 VAL 9 13.959 -7.143 -6.662 80 HG12 VAL 9 2HG1 VAL 9 13.841 -8.323 -5.355 81 HG13 VAL 9 3HG1 VAL 9 14.191 -8.859 -6.998 82 HG21 VAL 9 3HG2 VAL 9 11.015 -7.427 -8.261 83 HG22 VAL 9 1HG2 VAL 9 11.019 -6.484 -6.770 84 HG23 VAL 9 2HG2 VAL 9 12.446 -6.502 -7.806 85 H ASP 10 H ASP 10 10.778 -10.903 -5.581 86 HA ASP 10 HA ASP 10 12.913 -12.090 -4.295 87 HB2 ASP 10 2HB ASP 10 10.030 -12.440 -4.355 88 HB3 ASP 10 3HB ASP 10 10.862 -13.974 -4.111 89 HA PRO 11 HA PRO 11 12.418 -16.033 -7.033 90 HB2 PRO 11 2HB PRO 11 10.767 -15.870 -9.182 91 HB3 PRO 11 3HB PRO 11 10.212 -16.370 -7.581 92 HG2 PRO 11 2HG PRO 11 9.997 -13.697 -8.910 93 HG3 PRO 11 3HG PRO 11 8.783 -14.576 -7.962 94 HD2 PRO 11 2HD PRO 11 10.254 -12.554 -6.926 95 HD3 PRO 11 3HD PRO 11 9.702 -13.930 -5.950 96 H ALA 12 H ALA 12 12.803 -12.850 -8.131 97 HA ALA 12 HA ALA 12 13.878 -13.395 -10.721 98 HB1 ALA 12 1HB ALA 12 12.893 -11.204 -9.955 99 HB2 ALA 12 2HB ALA 12 14.391 -10.938 -9.062 100 HB3 ALA 12 3HB ALA 12 14.428 -11.094 -10.818 101 H TYR 13 H TYR 13 15.428 -12.318 -7.689 102 HA TYR 13 HA TYR 13 18.061 -12.515 -8.489 103 HD1 TYR 13 HD2 TYR 13 15.856 -10.568 -6.944 104 HD2 TYR 13 HD1 TYR 13 19.841 -11.262 -5.623 105 HE1 TYR 13 HE2 TYR 13 16.217 -8.141 -6.776 106 HE2 TYR 13 HE1 TYR 13 20.212 -8.837 -5.450 107 HH TYR 13 HH TYR 13 18.521 -6.738 -5.082 108 HB2 TYR 13 2HB TYR 13 16.721 -12.822 -5.822 109 HB3 TYR 13 3HB TYR 13 18.456 -13.074 -5.973 110 H GLU 14 H GLU 14 16.178 -15.018 -6.782 111 HA GLU 14 HA GLU 14 18.079 -17.024 -6.763 112 HB2 GLU 14 2HB GLU 14 15.074 -17.194 -6.985 113 HB3 GLU 14 3HB GLU 14 16.099 -18.604 -6.756 114 HG2 GLU 14 2HG GLU 14 16.307 -16.300 -4.873 115 HG3 GLU 14 3HG GLU 14 14.982 -17.453 -4.715 116 H PHE 15 H PHE 15 15.940 -16.012 -9.357 117 HA PHE 15 HA PHE 15 16.489 -18.224 -11.069 118 HD1 PHE 15 HD2 PHE 15 15.282 -19.175 -12.405 119 HD2 PHE 15 HD1 PHE 15 14.920 -15.307 -14.145 120 HE1 PHE 15 HE2 PHE 15 14.886 -20.205 -14.603 121 HE2 PHE 15 HE1 PHE 15 14.522 -16.331 -16.346 122 HZ PHE 15 HZ PHE 15 14.506 -18.783 -16.578 123 HB2 PHE 15 2HB PHE 15 14.477 -16.675 -11.191 124 HB3 PHE 15 3HB PHE 15 15.546 -15.490 -11.935 125 H ILE 16 H ILE 16 17.659 -14.868 -10.969 126 HA ILE 16 HA ILE 16 19.429 -15.107 -13.153 127 HB ILE 16 HB ILE 16 19.577 -13.209 -10.808 128 HG12 ILE 16 2HG1 ILE 16 17.458 -13.013 -11.989 129 HG13 ILE 16 3HG1 ILE 16 18.470 -11.618 -12.349 130 HG21 ILE 16 1HG2 ILE 16 20.937 -13.182 -13.494 131 HG22 ILE 16 2HG2 ILE 16 20.861 -11.789 -12.417 132 HG23 ILE 16 3HG2 ILE 16 21.696 -13.255 -11.904 133 HD11 ILE 16 3HD1 ILE 16 19.062 -13.466 -14.340 134 HD12 ILE 16 1HD1 ILE 16 17.314 -13.557 -14.128 135 HD13 ILE 16 2HD1 ILE 16 18.079 -12.010 -14.490 136 H LYS 17 H LYS 17 19.678 -16.018 -9.821 137 HA LYS 17 HA LYS 17 22.433 -16.057 -9.447 138 HB2 LYS 17 2HB LYS 17 20.198 -17.731 -8.340 139 HB3 LYS 17 3HB LYS 17 21.869 -18.064 -7.902 140 HG2 LYS 17 2HG LYS 17 20.800 -15.295 -7.613 141 HG3 LYS 17 3HG LYS 17 20.397 -16.521 -6.409 142 HD2 LYS 17 2HD LYS 17 22.409 -16.347 -5.472 143 HD3 LYS 17 3HD LYS 17 23.210 -16.592 -7.025 144 HE2 LYS 17 2HE LYS 17 23.160 -14.280 -7.520 145 HE3 LYS 17 3HE LYS 17 22.027 -13.949 -6.211 146 HZ1 LYS 17 3HZ LYS 17 24.536 -13.436 -5.912 147 HZ2 LYS 17 1HZ LYS 17 24.663 -15.091 -5.585 148 HZ3 LYS 17 2HZ LYS 17 23.664 -14.115 -4.631 149 H GLY 18 H GLY 18 20.415 -18.107 -11.374 150 HA2 GLY 18 2HA GLY 18 22.795 -19.722 -12.049 151 HA3 GLY 18 3HA GLY 18 21.211 -20.458 -11.851 152 H PHE 19 H PHE 19 19.486 -19.069 -13.216 153 HA PHE 19 HA PHE 19 19.897 -19.712 -15.874 154 HD1 PHE 19 HD1 PHE 19 18.243 -15.902 -16.235 155 HD2 PHE 19 HD2 PHE 19 17.239 -19.866 -17.418 156 HE1 PHE 19 HE1 PHE 19 17.495 -15.057 -18.421 157 HE2 PHE 19 HE2 PHE 19 16.491 -19.027 -19.606 158 HZ PHE 19 HZ PHE 19 16.619 -16.620 -20.111 159 HB2 PHE 19 2HB PHE 19 17.668 -19.335 -15.112 160 HB3 PHE 19 3HB PHE 19 18.049 -17.692 -14.607 161 H GLY 20 H GLY 20 20.834 -16.855 -14.119 162 HA2 GLY 20 2HA GLY 20 22.223 -15.904 -16.527 163 HA3 GLY 20 3HA GLY 20 21.182 -14.789 -15.654 164 H LYS 21 H LYS 21 23.638 -17.195 -14.705 165 HA LYS 21 HA LYS 21 24.564 -15.736 -12.492 166 HB2 LYS 21 2HB LYS 21 26.420 -17.286 -12.442 167 HB3 LYS 21 3HB LYS 21 24.945 -18.161 -12.834 168 HG2 LYS 21 2HG LYS 21 26.324 -17.243 -15.211 169 HG3 LYS 21 3HG LYS 21 27.343 -18.271 -14.200 170 HD2 LYS 21 2HD LYS 21 24.642 -19.308 -14.448 171 HD3 LYS 21 3HD LYS 21 25.429 -19.118 -16.017 172 HE2 LYS 21 2HE LYS 21 25.864 -21.330 -15.144 173 HE3 LYS 21 3HE LYS 21 27.359 -20.396 -15.173 174 HZ1 LYS 21 3HZ LYS 21 27.595 -20.832 -13.030 175 HZ2 LYS 21 1HZ LYS 21 26.111 -21.644 -12.981 176 HZ3 LYS 21 2HZ LYS 21 26.174 -19.978 -12.693 177 H GLY 22 H GLY 22 25.115 -15.322 -15.841 178 HA2 GLY 22 2HA GLY 22 26.824 -13.049 -15.317 179 HA3 GLY 22 3HA GLY 22 27.621 -14.363 -16.170 180 H ALA 23 H ALA 23 24.438 -12.762 -16.365 181 HA ALA 23 HA ALA 23 24.320 -13.048 -19.202 182 HB1 ALA 23 1HB ALA 23 22.524 -12.388 -17.144 183 HB2 ALA 23 2HB ALA 23 22.537 -11.017 -18.254 184 HB3 ALA 23 3HB ALA 23 22.169 -12.633 -18.855 185 H ILE 24 H ILE 24 25.131 -11.772 -20.731 186 HA ILE 24 HA ILE 24 26.536 -9.355 -19.970 187 HB ILE 24 HB ILE 24 26.255 -10.666 -22.677 188 HG12 ILE 24 2HG1 ILE 24 28.800 -11.083 -22.072 189 HG13 ILE 24 3HG1 ILE 24 28.196 -10.955 -20.423 190 HG21 ILE 24 1HG2 ILE 24 26.954 -8.659 -23.396 191 HG22 ILE 24 2HG2 ILE 24 27.470 -8.152 -21.788 192 HG23 ILE 24 3HG2 ILE 24 28.523 -9.168 -22.773 193 HD11 ILE 24 3HD1 ILE 24 26.969 -12.813 -22.429 194 HD12 ILE 24 1HD1 ILE 24 28.347 -13.274 -21.430 195 HD13 ILE 24 2HD1 ILE 24 26.818 -12.831 -20.672 196 H LYS 25 H LYS 25 23.541 -10.249 -21.441 197 HA LYS 25 HA LYS 25 23.023 -7.816 -22.813 198 HB2 LYS 25 2HB LYS 25 20.668 -8.612 -22.845 199 HB3 LYS 25 3HB LYS 25 21.816 -9.813 -23.423 200 HG2 LYS 25 2HG LYS 25 20.718 -11.200 -22.059 201 HG3 LYS 25 3HG LYS 25 21.678 -10.442 -20.786 202 HD2 LYS 25 2HD LYS 25 19.491 -10.322 -19.979 203 HD3 LYS 25 3HD LYS 25 19.772 -8.719 -20.663 204 HE2 LYS 25 2HE LYS 25 17.727 -9.183 -21.572 205 HE3 LYS 25 3HE LYS 25 18.773 -9.845 -22.827 206 HZ1 LYS 25 3HZ LYS 25 18.401 -11.877 -21.000 207 HZ2 LYS 25 1HZ LYS 25 17.723 -11.759 -22.545 208 HZ3 LYS 25 2HZ LYS 25 16.874 -11.179 -21.202 209 H GLU 26 H GLU 26 22.244 -9.010 -19.579 210 HA GLU 26 HA GLU 26 20.646 -6.777 -18.839 211 HB2 GLU 26 2HB GLU 26 22.106 -8.793 -17.122 212 HB3 GLU 26 3HB GLU 26 20.918 -7.640 -16.531 213 HG2 GLU 26 2HG GLU 26 19.357 -8.729 -18.287 214 HG3 GLU 26 3HG GLU 26 20.520 -10.053 -18.241 215 H GLY 27 H GLY 27 24.069 -7.540 -18.584 216 HA2 GLY 27 2HA GLY 27 25.342 -5.295 -18.739 217 HA3 GLY 27 3HA GLY 27 24.535 -4.980 -17.210 218 H ASN 28 H ASN 28 27.318 -6.124 -18.620 219 HA ASN 28 HA ASN 28 28.090 -8.211 -16.905 220 HB2 ASN 28 2HB ASN 28 29.485 -6.348 -18.754 221 HB3 ASN 28 3HB ASN 28 30.475 -7.167 -17.550 222 HD21 ASN 28 1HD2 ASN 28 30.355 -9.510 -17.479 223 HD22 ASN 28 2HD2 ASN 28 30.068 -10.380 -18.944 224 H LYS 29 H LYS 29 27.750 -7.832 -14.760 225 HA LYS 29 HA LYS 29 28.461 -5.407 -13.451 226 HB2 LYS 29 2HB LYS 29 28.031 -6.688 -11.365 227 HB3 LYS 29 3HB LYS 29 26.715 -6.792 -12.527 228 HG2 LYS 29 2HG LYS 29 28.145 -8.971 -13.220 229 HG3 LYS 29 3HG LYS 29 28.497 -8.886 -11.492 230 HD2 LYS 29 2HD LYS 29 25.677 -8.463 -12.158 231 HD3 LYS 29 3HD LYS 29 26.288 -10.059 -12.600 232 HE2 LYS 29 2HE LYS 29 27.235 -9.333 -9.991 233 HE3 LYS 29 3HE LYS 29 25.483 -9.158 -10.062 234 HZ1 LYS 29 3HZ LYS 29 25.242 -11.405 -10.704 235 HZ2 LYS 29 1HZ LYS 29 26.312 -11.404 -9.394 236 HZ3 LYS 29 2HZ LYS 29 26.902 -11.598 -10.967 237 H ASP 30 H ASP 30 29.990 -8.588 -13.722 238 HA ASP 30 HA ASP 30 32.286 -7.697 -12.177 239 HB2 ASP 30 2HB ASP 30 31.416 -10.319 -13.346 240 HB3 ASP 30 3HB ASP 30 33.092 -10.087 -12.856 241 H LYS 31 H LYS 31 32.066 -6.114 -14.351 242 HA LYS 31 HA LYS 31 33.727 -7.139 -16.495 243 HB2 LYS 31 2HB LYS 31 33.395 -4.893 -17.492 244 HB3 LYS 31 3HB LYS 31 31.882 -5.701 -17.104 245 HG2 LYS 31 2HG LYS 31 31.288 -3.826 -16.078 246 HG3 LYS 31 3HG LYS 31 32.453 -4.251 -14.822 247 HD2 LYS 31 2HD LYS 31 34.107 -3.112 -16.604 248 HD3 LYS 31 3HD LYS 31 32.624 -2.229 -16.973 249 HE2 LYS 31 2HE LYS 31 33.063 -2.459 -14.119 250 HE3 LYS 31 3HE LYS 31 34.425 -1.685 -14.929 251 HZ1 LYS 31 3HZ LYS 31 31.825 -0.744 -15.771 252 HZ2 LYS 31 1HZ LYS 31 33.222 0.130 -15.387 253 HZ3 LYS 31 2HZ LYS 31 32.198 -0.411 -14.155 254 H TRP 32 H TRP 32 34.078 -5.279 -13.609 255 HA TRP 32 HA TRP 32 36.451 -3.889 -14.266 256 HD1 TRP 32 HD1 TRP 32 32.997 -4.441 -11.650 257 HE1 TRP 32 HE1 TRP 32 32.549 -6.234 -9.859 258 HE3 TRP 32 HE3 TRP 32 37.822 -5.773 -10.611 259 HZ2 TRP 32 HZ2 TRP 32 34.043 -7.981 -8.222 260 HZ3 TRP 32 HZ3 TRP 32 38.226 -7.514 -8.919 261 HH2 TRP 32 HH2 TRP 32 36.374 -8.593 -7.750 262 HB2 TRP 32 2HB TRP 32 36.720 -3.710 -11.767 263 HB3 TRP 32 3HB TRP 32 35.174 -3.139 -12.388 264 H LYS 33 H LYS 33 35.812 -7.158 -13.356 265 HA LYS 33 HA LYS 33 38.353 -7.848 -12.333 266 HB2 LYS 33 2HB LYS 33 36.526 -9.730 -13.817 267 HB3 LYS 33 3HB LYS 33 37.660 -10.110 -12.527 268 HG2 LYS 33 2HG LYS 33 35.907 -8.243 -11.426 269 HG3 LYS 33 3HG LYS 33 34.894 -9.338 -12.369 270 HD2 LYS 33 2HD LYS 33 36.933 -10.200 -10.318 271 HD3 LYS 33 3HD LYS 33 35.197 -10.075 -10.027 272 HE2 LYS 33 2HE LYS 33 34.960 -11.663 -12.037 273 HE3 LYS 33 3HE LYS 33 36.678 -11.984 -11.806 274 HZ1 LYS 33 3HZ LYS 33 35.954 -12.407 -9.371 275 HZ2 LYS 33 1HZ LYS 33 35.708 -13.610 -10.534 276 HZ3 LYS 33 2HZ LYS 33 34.418 -12.634 -10.042 277 H ASN 34 H ASN 34 37.166 -7.365 -15.544 278 HA ASN 34 HA ASN 34 39.474 -8.687 -16.745 279 HB2 ASN 34 2HB ASN 34 36.798 -8.019 -17.610 280 HB3 ASN 34 3HB ASN 34 37.989 -7.409 -18.756 281 HD21 ASN 34 1HD2 ASN 34 37.173 -10.317 -16.907 282 HD22 ASN 34 2HD2 ASN 34 37.641 -11.438 -18.135 283 H ILE 35 H ILE 35 39.253 -5.961 -15.212 284 HA ILE 35 HA ILE 35 41.097 -4.576 -17.013 285 HB ILE 35 HB ILE 35 38.795 -3.170 -15.656 286 HG12 ILE 35 2HG1 ILE 35 38.118 -4.568 -17.607 287 HG13 ILE 35 3HG1 ILE 35 37.862 -2.846 -17.864 288 HG21 ILE 35 1HG2 ILE 35 40.042 -1.347 -15.881 289 HG22 ILE 35 2HG2 ILE 35 41.295 -2.249 -16.731 290 HG23 ILE 35 3HG2 ILE 35 39.945 -1.556 -17.629 291 HD11 ILE 35 3HD1 ILE 35 38.867 -4.249 -19.761 292 HD12 ILE 35 1HD1 ILE 35 39.599 -2.690 -19.386 293 HD13 ILE 35 2HD1 ILE 35 40.358 -4.179 -18.823 Start of MODEL 5 1 HA LYS 1 HA LYS 1 3.518 2.426 -2.965 2 H1 LYS 1 H LYS 1 4.416 2.245 -0.334 3 HB2 LYS 1 2HB LYS 1 6.051 2.414 -1.593 4 HB3 LYS 1 3HB LYS 1 6.167 1.470 -3.072 5 HG2 LYS 1 2HG LYS 1 4.791 3.769 -3.811 6 HG3 LYS 1 3HG LYS 1 6.055 4.328 -2.714 7 HD2 LYS 1 2HD LYS 1 7.749 3.643 -4.099 8 HD3 LYS 1 3HD LYS 1 6.782 2.356 -4.823 9 HE2 LYS 1 2HE LYS 1 5.785 3.768 -6.330 10 HE3 LYS 1 3HE LYS 1 5.967 5.180 -5.291 11 HZ1 LYS 1 3HZ LYS 1 7.539 4.533 -7.430 12 HZ2 LYS 1 1HZ LYS 1 8.488 4.109 -6.095 13 HZ3 LYS 1 2HZ LYS 1 7.894 5.685 -6.244 14 H LYS 2 H LYS 2 3.909 0.987 -4.775 15 HA LYS 2 HA LYS 2 2.831 -1.559 -4.424 16 HB2 LYS 2 2HB LYS 2 4.432 -0.343 -6.669 17 HB3 LYS 2 3HB LYS 2 3.795 -1.980 -6.759 18 HG2 LYS 2 2HG LYS 2 2.135 0.496 -6.336 19 HG3 LYS 2 3HG LYS 2 2.359 -0.331 -7.879 20 HD2 LYS 2 2HD LYS 2 1.572 -2.386 -6.285 21 HD3 LYS 2 3HD LYS 2 0.676 -1.040 -5.576 22 HE2 LYS 2 2HE LYS 2 -0.815 -1.236 -7.210 23 HE3 LYS 2 3HE LYS 2 0.434 -0.762 -8.359 24 HZ1 LYS 2 3HZ LYS 2 0.148 -2.767 -9.244 25 HZ2 LYS 2 1HZ LYS 2 -0.761 -3.324 -7.931 26 HZ3 LYS 2 2HZ LYS 2 0.928 -3.401 -7.883 27 H TRP 3 H TRP 3 6.200 -0.517 -4.650 28 HA TRP 3 HA TRP 3 8.163 -1.567 -4.188 29 HD1 TRP 3 HD1 TRP 3 9.194 -0.566 -2.628 30 HE1 TRP 3 HE1 TRP 3 9.183 0.893 -0.507 31 HE3 TRP 3 HE3 TRP 3 5.437 -2.896 -0.060 32 HZ2 TRP 3 HZ2 TRP 3 7.769 1.036 1.932 33 HZ3 TRP 3 HZ3 TRP 3 4.817 -2.037 2.160 34 HH2 TRP 3 HH2 TRP 3 5.960 -0.112 3.134 35 HB2 TRP 3 2HB TRP 3 6.240 -3.034 -2.407 36 HB3 TRP 3 3HB TRP 3 7.932 -3.517 -2.483 37 H GLY 4 H GLY 4 7.262 -2.247 -6.610 38 HA2 GLY 4 2HA GLY 4 7.234 -5.159 -6.835 39 HA3 GLY 4 3HA GLY 4 6.950 -4.013 -8.136 40 H TRP 5 H TRP 5 9.667 -3.372 -6.157 41 HA TRP 5 HA TRP 5 11.446 -3.818 -8.377 42 HD1 TRP 5 HD1 TRP 5 10.455 -1.742 -8.702 43 HE1 TRP 5 HE1 TRP 5 9.909 0.760 -8.440 44 HE3 TRP 5 HE3 TRP 5 13.018 -0.799 -4.380 45 HZ2 TRP 5 HZ2 TRP 5 10.489 2.855 -6.640 46 HZ3 TRP 5 HZ3 TRP 5 12.972 1.480 -3.455 47 HH2 TRP 5 HH2 TRP 5 11.733 3.268 -4.563 48 HB2 TRP 5 2HB TRP 5 12.121 -2.991 -5.546 49 HB3 TRP 5 3HB TRP 5 13.155 -2.834 -6.964 50 H LEU 6 H LEU 6 11.422 -4.985 -5.002 51 HA LEU 6 HA LEU 6 13.374 -6.979 -5.428 52 HG LEU 6 HG LEU 6 10.303 -6.082 -3.677 53 HB2 LEU 6 2HB LEU 6 12.602 -7.887 -3.261 54 HB3 LEU 6 3HB LEU 6 12.960 -6.161 -3.219 55 HD11 LEU 6 1HD1 LEU 6 10.689 -8.760 -3.190 56 HD12 LEU 6 2HD1 LEU 6 9.165 -7.888 -3.037 57 HD13 LEU 6 3HD1 LEU 6 10.185 -8.135 -1.620 58 HD21 LEU 6 3HD2 LEU 6 10.303 -6.136 -0.984 59 HD22 LEU 6 1HD2 LEU 6 10.888 -4.773 -1.937 60 HD23 LEU 6 2HD2 LEU 6 12.030 -5.952 -1.292 61 H ALA 7 H ALA 7 9.946 -6.891 -5.937 62 HA ALA 7 HA ALA 7 9.464 -9.684 -5.960 63 HB1 ALA 7 1HB ALA 7 7.340 -9.172 -6.858 64 HB2 ALA 7 2HB ALA 7 7.739 -7.847 -5.764 65 HB3 ALA 7 3HB ALA 7 7.903 -7.631 -7.507 66 H TRP 8 H TRP 8 10.736 -7.451 -8.302 67 HA TRP 8 HA TRP 8 10.465 -9.358 -10.484 68 HD1 TRP 8 HD1 TRP 8 8.425 -7.841 -9.866 69 HE1 TRP 8 HE1 TRP 8 6.533 -6.893 -11.332 70 HE3 TRP 8 HE3 TRP 8 11.246 -5.756 -13.585 71 HZ2 TRP 8 HZ2 TRP 8 6.272 -5.453 -13.745 72 HZ3 TRP 8 HZ3 TRP 8 10.098 -4.612 -15.436 73 HH2 TRP 8 HH2 TRP 8 7.662 -4.465 -15.513 74 HB2 TRP 8 2HB TRP 8 11.449 -6.520 -10.298 75 HB3 TRP 8 3HB TRP 8 11.726 -7.490 -11.741 76 H VAL 9 H VAL 9 12.839 -8.229 -8.223 77 HA VAL 9 HA VAL 9 15.127 -9.188 -9.654 78 HB VAL 9 HB VAL 9 14.831 -8.500 -6.726 79 HG11 VAL 9 1HG1 VAL 9 17.277 -8.987 -8.419 80 HG12 VAL 9 2HG1 VAL 9 17.308 -8.273 -6.806 81 HG13 VAL 9 3HG1 VAL 9 16.736 -9.927 -7.028 82 HG21 VAL 9 3HG2 VAL 9 16.368 -6.567 -7.996 83 HG22 VAL 9 1HG2 VAL 9 15.042 -6.882 -9.116 84 HG23 VAL 9 2HG2 VAL 9 14.698 -6.398 -7.455 85 H ASP 10 H ASP 10 12.841 -10.550 -7.421 86 HA ASP 10 HA ASP 10 14.291 -12.711 -6.423 87 HB2 ASP 10 2HB ASP 10 11.516 -11.908 -6.563 88 HB3 ASP 10 3HB ASP 10 11.673 -13.645 -6.808 89 HA PRO 11 HA PRO 11 12.718 -15.361 -10.137 90 HB2 PRO 11 2HB PRO 11 11.482 -14.060 -12.173 91 HB3 PRO 11 3HB PRO 11 10.612 -14.699 -10.773 92 HG2 PRO 11 2HG PRO 11 11.516 -11.899 -11.325 93 HG3 PRO 11 3HG PRO 11 9.972 -12.467 -10.663 94 HD2 PRO 11 2HD PRO 11 11.948 -11.471 -9.102 95 HD3 PRO 11 3HD PRO 11 10.836 -12.737 -8.543 96 H ALA 12 H ALA 12 14.068 -12.196 -10.593 97 HA ALA 12 HA ALA 12 15.309 -12.706 -13.115 98 HB1 ALA 12 1HB ALA 12 16.510 -10.628 -12.730 99 HB2 ALA 12 2HB ALA 12 14.799 -10.435 -12.346 100 HB3 ALA 12 3HB ALA 12 15.978 -10.615 -11.048 101 H TYR 13 H TYR 13 16.785 -12.191 -9.904 102 HA TYR 13 HA TYR 13 19.327 -13.087 -10.539 103 HD1 TYR 13 HD2 TYR 13 20.772 -14.774 -8.556 104 HD2 TYR 13 HD1 TYR 13 19.935 -10.700 -7.658 105 HE1 TYR 13 HE2 TYR 13 23.141 -14.415 -8.001 106 HE2 TYR 13 HE1 TYR 13 22.302 -10.330 -7.101 107 HH TYR 13 HH TYR 13 24.740 -12.657 -7.806 108 HB2 TYR 13 2HB TYR 13 18.203 -12.061 -8.313 109 HB3 TYR 13 3HB TYR 13 18.346 -13.745 -7.820 110 H GLU 14 H GLU 14 16.500 -14.921 -9.504 111 HA GLU 14 HA GLU 14 17.791 -17.395 -9.114 112 HB2 GLU 14 2HB GLU 14 14.945 -16.629 -9.719 113 HB3 GLU 14 3HB GLU 14 15.428 -18.314 -9.576 114 HG2 GLU 14 2HG GLU 14 16.173 -16.453 -7.387 115 HG3 GLU 14 3HG GLU 14 14.489 -16.957 -7.524 116 H PHE 15 H PHE 15 16.760 -15.719 -11.964 117 HA PHE 15 HA PHE 15 16.693 -17.974 -13.705 118 HD1 PHE 15 HD2 PHE 15 17.235 -17.224 -16.796 119 HD2 PHE 15 HD1 PHE 15 13.851 -16.074 -14.484 120 HE1 PHE 15 HE2 PHE 15 15.747 -18.200 -18.495 121 HE2 PHE 15 HE1 PHE 15 12.357 -17.050 -16.179 122 HZ PHE 15 HZ PHE 15 13.305 -18.113 -18.188 123 HB2 PHE 15 2HB PHE 15 15.971 -15.300 -13.894 124 HB3 PHE 15 3HB PHE 15 17.331 -15.443 -15.003 125 H ILE 16 H ILE 16 19.107 -15.447 -13.066 126 HA ILE 16 HA ILE 16 21.039 -16.408 -14.885 127 HB ILE 16 HB ILE 16 21.459 -14.780 -12.375 128 HG12 ILE 16 2HG1 ILE 16 21.744 -13.084 -14.504 129 HG13 ILE 16 3HG1 ILE 16 20.460 -14.146 -15.070 130 HG21 ILE 16 1HG2 ILE 16 23.251 -15.391 -14.710 131 HG22 ILE 16 2HG2 ILE 16 23.522 -14.025 -13.630 132 HG23 ILE 16 3HG2 ILE 16 23.556 -15.669 -12.995 133 HD11 ILE 16 3HD1 ILE 16 19.661 -13.569 -12.522 134 HD12 ILE 16 1HD1 ILE 16 20.411 -12.060 -13.042 135 HD13 ILE 16 2HD1 ILE 16 19.097 -12.763 -13.986 136 H LYS 17 H LYS 17 20.154 -17.368 -11.677 137 HA LYS 17 HA LYS 17 22.500 -18.608 -10.816 138 HB2 LYS 17 2HB LYS 17 19.599 -19.225 -10.274 139 HB3 LYS 17 3HB LYS 17 20.912 -20.091 -9.487 140 HG2 LYS 17 2HG LYS 17 21.168 -17.189 -9.321 141 HG3 LYS 17 3HG LYS 17 19.711 -17.822 -8.552 142 HD2 LYS 17 2HD LYS 17 20.905 -19.070 -7.017 143 HD3 LYS 17 3HD LYS 17 22.343 -19.140 -8.038 144 HE2 LYS 17 2HE LYS 17 22.456 -16.591 -7.665 145 HE3 LYS 17 3HE LYS 17 21.351 -16.889 -6.324 146 HZ1 LYS 17 3HZ LYS 17 23.141 -18.691 -5.741 147 HZ2 LYS 17 1HZ LYS 17 23.343 -17.079 -5.269 148 HZ3 LYS 17 2HZ LYS 17 24.157 -17.670 -6.629 149 H GLY 18 H GLY 18 20.270 -19.515 -13.279 150 HA2 GLY 18 2HA GLY 18 21.673 -22.103 -13.550 151 HA3 GLY 18 3HA GLY 18 19.957 -21.921 -13.883 152 H PHE 19 H PHE 19 20.343 -19.299 -15.163 153 HA PHE 19 HA PHE 19 20.949 -20.289 -17.804 154 HD1 PHE 19 HD2 PHE 19 21.527 -16.138 -17.867 155 HD2 PHE 19 HD1 PHE 19 19.296 -19.023 -20.062 156 HE1 PHE 19 HE2 PHE 19 22.083 -14.970 -19.960 157 HE2 PHE 19 HE1 PHE 19 19.849 -17.860 -22.159 158 HZ PHE 19 HZ PHE 19 21.243 -15.830 -22.110 159 HB2 PHE 19 2HB PHE 19 19.071 -18.837 -17.671 160 HB3 PHE 19 3HB PHE 19 19.975 -17.633 -16.759 161 H GLY 20 H GLY 20 22.458 -18.247 -15.401 162 HA2 GLY 20 2HA GLY 20 24.829 -18.076 -17.147 163 HA3 GLY 20 3HA GLY 20 24.250 -16.656 -16.288 164 H LYS 21 H LYS 21 24.550 -20.027 -15.212 165 HA LYS 21 HA LYS 21 25.550 -19.345 -12.677 166 HB2 LYS 21 2HB LYS 21 26.024 -21.717 -12.410 167 HB3 LYS 21 3HB LYS 21 24.458 -21.496 -13.179 168 HG2 LYS 21 2HG LYS 21 26.632 -21.752 -15.095 169 HG3 LYS 21 3HG LYS 21 26.463 -23.159 -14.041 170 HD2 LYS 21 2HD LYS 21 23.902 -22.175 -15.006 171 HD3 LYS 21 3HD LYS 21 24.989 -22.633 -16.320 172 HE2 LYS 21 2HE LYS 21 24.704 -24.465 -13.989 173 HE3 LYS 21 3HE LYS 21 23.402 -24.397 -15.175 174 HZ1 LYS 21 3HZ LYS 21 25.340 -24.690 -16.850 175 HZ2 LYS 21 1HZ LYS 21 24.737 -26.038 -16.024 176 HZ3 LYS 21 2HZ LYS 21 26.175 -25.308 -15.515 177 H GLY 22 H GLY 22 27.084 -19.521 -15.726 178 HA2 GLY 22 2HA GLY 22 29.703 -19.235 -14.396 179 HA3 GLY 22 3HA GLY 22 29.518 -20.248 -15.819 180 H ALA 23 H ALA 23 27.766 -18.569 -17.277 181 HA ALA 23 HA ALA 23 29.679 -16.781 -18.424 182 HB1 ALA 23 1HB ALA 23 26.844 -16.525 -19.205 183 HB2 ALA 23 2HB ALA 23 28.289 -16.684 -20.203 184 HB3 ALA 23 3HB ALA 23 27.582 -18.109 -19.442 185 H ILE 24 H ILE 24 30.211 -15.114 -17.086 186 HA ILE 24 HA ILE 24 28.273 -13.639 -15.588 187 HB ILE 24 HB ILE 24 31.123 -12.884 -16.243 188 HG12 ILE 24 2HG1 ILE 24 31.018 -15.040 -15.095 189 HG13 ILE 24 3HG1 ILE 24 31.655 -13.803 -14.017 190 HG21 ILE 24 1HG2 ILE 24 29.795 -10.987 -15.510 191 HG22 ILE 24 2HG2 ILE 24 29.249 -11.892 -14.099 192 HG23 ILE 24 3HG2 ILE 24 30.948 -11.449 -14.258 193 HD11 ILE 24 3HD1 ILE 24 30.113 -15.248 -12.848 194 HD12 ILE 24 1HD1 ILE 24 29.457 -13.615 -12.957 195 HD13 ILE 24 2HD1 ILE 24 28.847 -14.883 -14.021 196 H LYS 25 H LYS 25 29.591 -13.422 -18.775 197 HA LYS 25 HA LYS 25 29.014 -10.670 -19.237 198 HB2 LYS 25 2HB LYS 25 29.256 -12.863 -21.300 199 HB3 LYS 25 3HB LYS 25 29.477 -11.137 -21.554 200 HG2 LYS 25 2HG LYS 25 31.636 -11.363 -21.145 201 HG3 LYS 25 3HG LYS 25 31.266 -11.921 -19.512 202 HD2 LYS 25 2HD LYS 25 32.391 -13.754 -20.250 203 HD3 LYS 25 3HD LYS 25 30.781 -14.186 -20.831 204 HE2 LYS 25 2HE LYS 25 31.845 -14.472 -22.795 205 HE3 LYS 25 3HE LYS 25 31.677 -12.721 -22.914 206 HZ1 LYS 25 3HZ LYS 25 33.877 -12.398 -22.237 207 HZ2 LYS 25 1HZ LYS 25 33.963 -13.688 -23.328 208 HZ3 LYS 25 2HZ LYS 25 34.043 -13.981 -21.665 209 H GLU 26 H GLU 26 27.475 -13.548 -20.684 210 HA GLU 26 HA GLU 26 25.151 -12.100 -21.456 211 HB2 GLU 26 2HB GLU 26 25.422 -15.096 -21.198 212 HB3 GLU 26 3HB GLU 26 24.279 -14.212 -22.200 213 HG2 GLU 26 2HG GLU 26 27.262 -14.350 -22.563 214 HG3 GLU 26 3HG GLU 26 26.034 -15.115 -23.569 215 H GLY 27 H GLY 27 26.087 -13.837 -18.603 216 HA2 GLY 27 2HA GLY 27 23.390 -14.100 -17.591 217 HA3 GLY 27 3HA GLY 27 24.872 -14.502 -16.736 218 H ASN 28 H ASN 28 26.106 -12.743 -15.793 219 HA ASN 28 HA ASN 28 24.369 -10.822 -14.547 220 HB2 ASN 28 2HB ASN 28 27.233 -11.623 -14.246 221 HB3 ASN 28 3HB ASN 28 26.716 -10.073 -13.591 222 HD21 ASN 28 1HD2 ASN 28 27.538 -11.420 -11.671 223 HD22 ASN 28 2HD2 ASN 28 26.322 -12.275 -10.791 224 H LYS 29 H LYS 29 24.028 -10.071 -16.973 225 HA LYS 29 HA LYS 29 26.010 -8.253 -17.979 226 HB2 LYS 29 2HB LYS 29 24.423 -7.764 -19.726 227 HB3 LYS 29 3HB LYS 29 24.433 -9.500 -19.445 228 HG2 LYS 29 2HG LYS 29 22.447 -8.596 -17.762 229 HG3 LYS 29 3HG LYS 29 22.268 -7.586 -19.199 230 HD2 LYS 29 2HD LYS 29 21.903 -9.430 -20.591 231 HD3 LYS 29 3HD LYS 29 22.575 -10.563 -19.416 232 HE2 LYS 29 2HE LYS 29 20.630 -9.934 -17.915 233 HE3 LYS 29 3HE LYS 29 19.932 -9.128 -19.319 234 HZ1 LYS 29 3HZ LYS 29 19.510 -11.693 -18.697 235 HZ2 LYS 29 1HZ LYS 29 20.804 -11.849 -19.776 236 HZ3 LYS 29 2HZ LYS 29 19.384 -11.070 -20.264 237 H ASP 30 H ASP 30 23.887 -8.055 -15.457 238 HA ASP 30 HA ASP 30 24.135 -5.162 -15.366 239 HB2 ASP 30 2HB ASP 30 21.623 -5.097 -14.656 240 HB3 ASP 30 3HB ASP 30 22.040 -5.111 -16.368 241 H LYS 31 H LYS 31 25.451 -7.057 -13.851 242 HA LYS 31 HA LYS 31 24.075 -7.380 -11.326 243 HB2 LYS 31 2HB LYS 31 26.043 -8.566 -10.601 244 HB3 LYS 31 3HB LYS 31 25.625 -9.109 -12.221 245 HG2 LYS 31 2HG LYS 31 27.857 -8.850 -12.499 246 HG3 LYS 31 3HG LYS 31 27.345 -7.208 -12.895 247 HD2 LYS 31 2HD LYS 31 27.617 -7.126 -10.159 248 HD3 LYS 31 3HD LYS 31 28.938 -8.188 -10.654 249 HE2 LYS 31 2HE LYS 31 28.594 -5.767 -12.287 250 HE3 LYS 31 3HE LYS 31 29.072 -5.479 -10.615 251 HZ1 LYS 31 3HZ LYS 31 30.496 -7.086 -12.656 252 HZ2 LYS 31 1HZ LYS 31 30.875 -7.158 -11.009 253 HZ3 LYS 31 2HZ LYS 31 31.046 -5.702 -11.853 254 H TRP 32 H TRP 32 26.240 -5.135 -12.793 255 HA TRP 32 HA TRP 32 27.411 -4.044 -10.465 256 HD1 TRP 32 HD1 TRP 32 27.190 -4.447 -14.810 257 HE1 TRP 32 HE1 TRP 32 25.643 -3.283 -16.505 258 HE3 TRP 32 HE3 TRP 32 26.005 -0.279 -12.097 259 HZ2 TRP 32 HZ2 TRP 32 24.122 -0.910 -16.671 260 HZ3 TRP 32 HZ3 TRP 32 24.498 1.390 -13.097 261 HH2 TRP 32 HH2 TRP 32 23.578 1.079 -15.337 262 HB2 TRP 32 2HB TRP 32 27.874 -2.062 -11.924 263 HB3 TRP 32 3HB TRP 32 28.405 -3.595 -12.608 264 H LYS 33 H LYS 33 24.412 -3.382 -12.176 265 HA LYS 33 HA LYS 33 23.773 -1.070 -10.586 266 HB2 LYS 33 2HB LYS 33 21.551 -1.245 -11.726 267 HB3 LYS 33 3HB LYS 33 22.920 -1.135 -12.825 268 HG2 LYS 33 2HG LYS 33 22.814 -3.489 -13.283 269 HG3 LYS 33 3HG LYS 33 21.562 -3.710 -12.058 270 HD2 LYS 33 2HD LYS 33 20.574 -1.716 -13.732 271 HD3 LYS 33 3HD LYS 33 21.319 -2.888 -14.822 272 HE2 LYS 33 2HE LYS 33 19.403 -4.024 -14.642 273 HE3 LYS 33 3HE LYS 33 19.975 -4.486 -13.040 274 HZ1 LYS 33 3HZ LYS 33 18.800 -2.592 -12.112 275 HZ2 LYS 33 1HZ LYS 33 17.732 -3.595 -12.959 276 HZ3 LYS 33 2HZ LYS 33 18.255 -2.142 -13.649 277 H ASN 34 H ASN 34 23.377 -4.469 -10.298 278 HA ASN 34 HA ASN 34 21.187 -4.290 -8.406 279 HB2 ASN 34 2HB ASN 34 22.616 -6.452 -9.827 280 HB3 ASN 34 3HB ASN 34 22.039 -6.862 -8.215 281 HD21 ASN 34 1HD2 ASN 34 20.650 -4.733 -10.672 282 HD22 ASN 34 2HD2 ASN 34 19.162 -5.597 -10.830 283 H ILE 35 H ILE 35 24.327 -3.552 -8.185 284 HA ILE 35 HA ILE 35 25.190 -4.935 -5.868 285 HB ILE 35 HB ILE 35 26.081 -2.248 -6.923 286 HG12 ILE 35 2HG1 ILE 35 26.365 -4.114 -8.522 287 HG13 ILE 35 3HG1 ILE 35 27.908 -3.478 -7.964 288 HG21 ILE 35 1HG2 ILE 35 26.814 -3.770 -4.558 289 HG22 ILE 35 2HG2 ILE 35 28.197 -3.406 -5.589 290 HG23 ILE 35 3HG2 ILE 35 27.178 -2.098 -4.986 291 HD11 ILE 35 3HD1 ILE 35 28.517 -5.498 -7.324 292 HD12 ILE 35 1HD1 ILE 35 27.133 -5.592 -6.235 293 HD13 ILE 35 2HD1 ILE 35 26.980 -6.139 -7.905 Start of MODEL 6 1 HA LYS 1 HA LYS 1 -6.004 -4.393 -2.668 2 H1 LYS 1 H LYS 1 -4.940 -2.849 -0.404 3 HB2 LYS 1 2HB LYS 1 -4.123 -2.153 -2.730 4 HB3 LYS 1 3HB LYS 1 -3.512 -3.590 -3.538 5 HG2 LYS 1 2HG LYS 1 -4.588 -2.677 -5.296 6 HG3 LYS 1 3HG LYS 1 -5.965 -3.527 -4.592 7 HD2 LYS 1 2HD LYS 1 -7.025 -1.613 -4.168 8 HD3 LYS 1 3HD LYS 1 -5.602 -0.926 -3.381 9 HE2 LYS 1 2HE LYS 1 -4.868 0.089 -5.293 10 HE3 LYS 1 3HE LYS 1 -5.600 -1.120 -6.346 11 HZ1 LYS 1 3HZ LYS 1 -7.446 0.519 -4.815 12 HZ2 LYS 1 1HZ LYS 1 -7.540 -0.010 -6.420 13 HZ3 LYS 1 2HZ LYS 1 -6.580 1.325 -6.024 14 H LYS 2 H LYS 2 -4.982 -6.320 -3.099 15 HA LYS 2 HA LYS 2 -3.737 -7.670 -1.006 16 HB2 LYS 2 2HB LYS 2 -3.170 -9.392 -2.702 17 HB3 LYS 2 3HB LYS 2 -4.850 -8.876 -2.778 18 HG2 LYS 2 2HG LYS 2 -3.565 -7.181 -4.540 19 HG3 LYS 2 3HG LYS 2 -2.771 -8.738 -4.790 20 HD2 LYS 2 2HD LYS 2 -4.975 -9.791 -5.091 21 HD3 LYS 2 3HD LYS 2 -5.743 -8.214 -4.887 22 HE2 LYS 2 2HE LYS 2 -3.613 -8.368 -6.924 23 HE3 LYS 2 3HE LYS 2 -5.086 -9.269 -7.279 24 HZ1 LYS 2 3HZ LYS 2 -6.287 -7.392 -7.511 25 HZ2 LYS 2 1HZ LYS 2 -4.781 -6.707 -7.866 26 HZ3 LYS 2 2HZ LYS 2 -5.438 -6.547 -6.316 27 H TRP 3 H TRP 3 -2.399 -5.661 -3.504 28 HA TRP 3 HA TRP 3 -0.286 -4.956 -3.967 29 HD1 TRP 3 HD1 TRP 3 -1.130 -2.931 -3.387 30 HE1 TRP 3 HE1 TRP 3 -2.304 -1.159 -1.936 31 HE3 TRP 3 HE3 TRP 3 0.032 -4.771 1.239 32 HZ2 TRP 3 HZ2 TRP 3 -2.686 -0.613 0.807 33 HZ3 TRP 3 HZ3 TRP 3 -0.775 -3.564 3.225 34 HH2 TRP 3 HH2 TRP 3 -2.106 -1.528 3.012 35 HB2 TRP 3 2HB TRP 3 0.179 -5.714 -1.074 36 HB3 TRP 3 3HB TRP 3 1.235 -4.692 -2.046 37 H GLY 4 H GLY 4 -0.681 -7.389 -4.990 38 HA2 GLY 4 2HA GLY 4 1.479 -9.154 -4.123 39 HA3 GLY 4 3HA GLY 4 0.244 -9.530 -5.316 40 H TRP 5 H TRP 5 1.777 -6.485 -5.649 41 HA TRP 5 HA TRP 5 2.932 -7.296 -8.161 42 HD1 TRP 5 HD1 TRP 5 0.679 -6.879 -8.556 43 HE1 TRP 5 HE1 TRP 5 -1.533 -5.615 -8.922 44 HE3 TRP 5 HE3 TRP 5 2.189 -2.190 -7.191 45 HZ2 TRP 5 HZ2 TRP 5 -2.508 -2.978 -8.666 46 HZ3 TRP 5 HZ3 TRP 5 0.556 -0.352 -7.281 47 HH2 TRP 5 HH2 TRP 5 -1.744 -0.740 -8.004 48 HB2 TRP 5 2HB TRP 5 3.125 -4.619 -6.765 49 HB3 TRP 5 3HB TRP 5 3.464 -4.949 -8.462 50 H LEU 6 H LEU 6 4.268 -5.709 -5.255 51 HA LEU 6 HA LEU 6 6.965 -6.088 -6.000 52 HG LEU 6 HG LEU 6 4.641 -6.120 -3.197 53 HB2 LEU 6 2HB LEU 6 7.472 -5.519 -3.659 54 HB3 LEU 6 3HB LEU 6 6.360 -4.384 -4.420 55 HD11 LEU 6 1HD1 LEU 6 5.401 -6.765 -1.107 56 HD12 LEU 6 2HD1 LEU 6 6.766 -5.650 -1.145 57 HD13 LEU 6 3HD1 LEU 6 6.787 -7.103 -2.144 58 HD21 LEU 6 3HD2 LEU 6 5.781 -3.456 -2.557 59 HD22 LEU 6 1HD2 LEU 6 4.802 -4.250 -1.323 60 HD23 LEU 6 2HD2 LEU 6 4.118 -3.924 -2.915 61 H ALA 7 H ALA 7 4.649 -8.120 -4.408 62 HA ALA 7 HA ALA 7 6.475 -9.913 -3.180 63 HB1 ALA 7 1HB ALA 7 4.111 -11.314 -3.783 64 HB2 ALA 7 2HB ALA 7 4.571 -10.570 -2.250 65 HB3 ALA 7 3HB ALA 7 3.637 -9.651 -3.431 66 H TRP 8 H TRP 8 5.214 -9.594 -6.402 67 HA TRP 8 HA TRP 8 6.147 -12.236 -7.189 68 HD1 TRP 8 HD1 TRP 8 3.516 -11.772 -6.125 69 HE1 TRP 8 HE1 TRP 8 1.568 -13.415 -6.489 70 HE3 TRP 8 HE3 TRP 8 3.927 -12.411 -11.181 71 HZ2 TRP 8 HZ2 TRP 8 0.365 -14.798 -8.636 72 HZ3 TRP 8 HZ3 TRP 8 2.339 -13.912 -12.313 73 HH2 TRP 8 HH2 TRP 8 0.596 -15.080 -11.065 74 HB2 TRP 8 2HB TRP 8 4.598 -10.055 -8.549 75 HB3 TRP 8 3HB TRP 8 5.353 -11.328 -9.504 76 H VAL 9 H VAL 9 7.127 -8.905 -7.361 77 HA VAL 9 HA VAL 9 9.088 -9.252 -9.414 78 HB VAL 9 HB VAL 9 8.830 -7.064 -7.346 79 HG11 VAL 9 1HG1 VAL 9 10.431 -7.159 -9.901 80 HG12 VAL 9 2HG1 VAL 9 10.246 -5.751 -8.853 81 HG13 VAL 9 3HG1 VAL 9 11.084 -7.187 -8.263 82 HG21 VAL 9 3HG2 VAL 9 8.157 -6.196 -9.954 83 HG22 VAL 9 1HG2 VAL 9 7.267 -7.687 -9.643 84 HG23 VAL 9 2HG2 VAL 9 7.111 -6.320 -8.539 85 H ASP 10 H ASP 10 9.049 -9.534 -5.932 86 HA ASP 10 HA ASP 10 11.742 -9.366 -5.324 87 HB2 ASP 10 2HB ASP 10 9.368 -10.563 -4.099 88 HB3 ASP 10 3HB ASP 10 10.860 -11.401 -3.682 89 HA PRO 11 HA PRO 11 12.241 -14.087 -6.191 90 HB2 PRO 11 2HB PRO 11 10.175 -15.366 -7.401 91 HB3 PRO 11 3HB PRO 11 10.319 -15.221 -5.645 92 HG2 PRO 11 2HG PRO 11 8.669 -13.606 -7.551 93 HG3 PRO 11 3HG PRO 11 8.226 -14.257 -5.962 94 HD2 PRO 11 2HD PRO 11 8.934 -11.669 -6.331 95 HD3 PRO 11 3HD PRO 11 9.282 -12.550 -4.829 96 H ALA 12 H ALA 12 10.671 -11.936 -8.396 97 HA ALA 12 HA ALA 12 11.412 -13.274 -10.807 98 HB1 ALA 12 1HB ALA 12 10.700 -11.254 -11.934 99 HB2 ALA 12 2HB ALA 12 9.534 -11.687 -10.684 100 HB3 ALA 12 3HB ALA 12 10.681 -10.376 -10.404 101 H TYR 13 H TYR 13 12.535 -10.133 -9.537 102 HA TYR 13 HA TYR 13 14.740 -9.846 -11.173 103 HD1 TYR 13 HD1 TYR 13 17.298 -8.229 -9.568 104 HD2 TYR 13 HD2 TYR 13 13.513 -6.748 -10.825 105 HE1 TYR 13 HE1 TYR 13 18.422 -6.422 -10.801 106 HE2 TYR 13 HE2 TYR 13 14.626 -4.937 -12.063 107 HH TYR 13 HH TYR 13 17.163 -3.744 -11.691 108 HB2 TYR 13 2HB TYR 13 13.638 -8.401 -9.117 109 HB3 TYR 13 3HB TYR 13 15.184 -8.890 -8.432 110 H GLU 14 H GLU 14 14.611 -11.318 -7.936 111 HA GLU 14 HA GLU 14 17.281 -11.938 -7.610 112 HB2 GLU 14 2HB GLU 14 14.840 -13.490 -6.739 113 HB3 GLU 14 3HB GLU 14 16.471 -13.843 -6.187 114 HG2 GLU 14 2HG GLU 14 16.632 -11.835 -5.003 115 HG3 GLU 14 3HG GLU 14 15.256 -11.126 -5.848 116 H PHE 15 H PHE 15 14.820 -13.647 -9.458 117 HA PHE 15 HA PHE 15 16.438 -15.923 -10.034 118 HD1 PHE 15 HD2 PHE 15 14.707 -16.658 -8.474 119 HD2 PHE 15 HD1 PHE 15 13.747 -17.790 -12.463 120 HE1 PHE 15 HE2 PHE 15 14.252 -18.952 -7.710 121 HE2 PHE 15 HE1 PHE 15 13.288 -20.086 -11.705 122 HZ PHE 15 HZ PHE 15 13.542 -20.669 -9.326 123 HB2 PHE 15 2HB PHE 15 13.755 -15.031 -10.602 124 HB3 PHE 15 3HB PHE 15 14.504 -15.663 -12.064 125 H ILE 16 H ILE 16 15.711 -12.910 -11.726 126 HA ILE 16 HA ILE 16 17.021 -13.544 -14.143 127 HB ILE 16 HB ILE 16 16.557 -10.825 -12.913 128 HG12 ILE 16 2HG1 ILE 16 14.488 -12.132 -13.239 129 HG13 ILE 16 3HG1 ILE 16 14.563 -10.744 -14.319 130 HG21 ILE 16 1HG2 ILE 16 17.623 -11.723 -15.534 131 HG22 ILE 16 2HG2 ILE 16 16.560 -10.317 -15.512 132 HG23 ILE 16 3HG2 ILE 16 18.045 -10.313 -14.562 133 HD11 ILE 16 3HD1 ILE 16 14.233 -12.081 -16.042 134 HD12 ILE 16 1HD1 ILE 16 15.722 -12.947 -15.663 135 HD13 ILE 16 2HD1 ILE 16 14.192 -13.475 -14.962 136 H LYS 17 H LYS 17 18.121 -11.870 -11.216 137 HA LYS 17 HA LYS 17 20.711 -11.260 -12.175 138 HB2 LYS 17 2HB LYS 17 21.265 -10.821 -9.829 139 HB3 LYS 17 3HB LYS 17 19.723 -10.095 -10.265 140 HG2 LYS 17 2HG LYS 17 18.532 -11.896 -9.168 141 HG3 LYS 17 3HG LYS 17 20.057 -12.699 -8.788 142 HD2 LYS 17 2HD LYS 17 19.278 -11.517 -6.837 143 HD3 LYS 17 3HD LYS 17 20.719 -10.711 -7.462 144 HE2 LYS 17 2HE LYS 17 19.490 -8.919 -8.313 145 HE3 LYS 17 3HE LYS 17 17.974 -9.818 -8.270 146 HZ1 LYS 17 3HZ LYS 17 17.650 -9.344 -6.106 147 HZ2 LYS 17 1HZ LYS 17 18.649 -8.021 -6.445 148 HZ3 LYS 17 2HZ LYS 17 19.294 -9.403 -5.713 149 H GLY 18 H GLY 18 19.294 -14.123 -10.821 150 HA2 GLY 18 2HA GLY 18 21.843 -15.357 -10.208 151 HA3 GLY 18 3HA GLY 18 20.259 -16.106 -10.072 152 H PHE 19 H PHE 19 19.539 -15.366 -12.836 153 HA PHE 19 HA PHE 19 20.597 -17.696 -14.116 154 HD1 PHE 19 HD2 PHE 19 17.974 -17.709 -12.902 155 HD2 PHE 19 HD1 PHE 19 18.302 -18.091 -17.128 156 HE1 PHE 19 HE2 PHE 19 16.586 -19.739 -12.822 157 HE2 PHE 19 HE1 PHE 19 16.914 -20.122 -17.056 158 HZ PHE 19 HZ PHE 19 16.055 -20.948 -14.901 159 HB2 PHE 19 2HB PHE 19 18.500 -15.712 -14.654 160 HB3 PHE 19 3HB PHE 19 19.303 -16.312 -16.101 161 H GLY 20 H GLY 20 21.184 -14.242 -14.306 162 HA2 GLY 20 2HA GLY 20 23.455 -14.813 -16.101 163 HA3 GLY 20 3HA GLY 20 22.377 -13.463 -16.424 164 H LYS 21 H LYS 21 23.882 -14.677 -13.434 165 HA LYS 21 HA LYS 21 24.362 -12.122 -12.373 166 HB2 LYS 21 2HB LYS 21 25.684 -13.231 -10.692 167 HB3 LYS 21 3HB LYS 21 24.283 -14.231 -11.052 168 HG2 LYS 21 2HG LYS 21 26.392 -15.028 -12.773 169 HG3 LYS 21 3HG LYS 21 27.025 -14.931 -11.128 170 HD2 LYS 21 2HD LYS 21 24.387 -16.230 -11.471 171 HD3 LYS 21 3HD LYS 21 25.791 -17.103 -12.090 172 HE2 LYS 21 2HE LYS 21 26.710 -16.326 -9.669 173 HE3 LYS 21 3HE LYS 21 24.992 -16.509 -9.318 174 HZ1 LYS 21 3HZ LYS 21 25.854 -18.707 -10.839 175 HZ2 LYS 21 1HZ LYS 21 25.260 -18.691 -9.255 176 HZ3 LYS 21 2HZ LYS 21 26.918 -18.511 -9.539 177 H GLY 22 H GLY 22 26.019 -13.900 -14.776 178 HA2 GLY 22 2HA GLY 22 28.457 -12.292 -14.442 179 HA3 GLY 22 3HA GLY 22 28.314 -13.741 -15.426 180 H ALA 23 H ALA 23 25.981 -13.093 -16.844 181 HA ALA 23 HA ALA 23 25.431 -12.142 -18.845 182 HB1 ALA 23 1HB ALA 23 24.944 -10.340 -17.077 183 HB2 ALA 23 2HB ALA 23 26.377 -9.532 -17.714 184 HB3 ALA 23 3HB ALA 23 25.002 -9.853 -18.772 185 H ILE 24 H ILE 24 27.118 -13.203 -20.010 186 HA ILE 24 HA ILE 24 29.625 -11.830 -20.431 187 HB ILE 24 HB ILE 24 28.508 -14.286 -21.788 188 HG12 ILE 24 2HG1 ILE 24 30.462 -15.266 -20.293 189 HG13 ILE 24 3HG1 ILE 24 30.130 -13.838 -19.319 190 HG21 ILE 24 1HG2 ILE 24 31.144 -12.880 -21.969 191 HG22 ILE 24 2HG2 ILE 24 31.025 -14.615 -22.260 192 HG23 ILE 24 3HG2 ILE 24 30.113 -13.488 -23.264 193 HD11 ILE 24 3HD1 ILE 24 27.969 -15.749 -20.130 194 HD12 ILE 24 1HD1 ILE 24 28.945 -15.983 -18.680 195 HD13 ILE 24 2HD1 ILE 24 27.946 -14.538 -18.848 196 H LYS 25 H LYS 25 26.531 -12.020 -21.955 197 HA LYS 25 HA LYS 25 27.199 -11.326 -24.584 198 HB2 LYS 25 2HB LYS 25 24.702 -10.483 -23.107 199 HB3 LYS 25 3HB LYS 25 24.895 -10.671 -24.845 200 HG2 LYS 25 2HG LYS 25 24.239 -12.775 -24.693 201 HG3 LYS 25 3HG LYS 25 25.597 -13.131 -23.622 202 HD2 LYS 25 2HD LYS 25 24.053 -12.035 -21.809 203 HD3 LYS 25 3HD LYS 25 22.769 -12.445 -22.950 204 HE2 LYS 25 2HE LYS 25 24.807 -14.429 -21.958 205 HE3 LYS 25 3HE LYS 25 23.247 -14.170 -21.178 206 HZ1 LYS 25 3HZ LYS 25 22.829 -14.541 -23.926 207 HZ2 LYS 25 1HZ LYS 25 22.321 -15.521 -22.644 208 HZ3 LYS 25 2HZ LYS 25 23.823 -15.793 -23.373 209 H GLU 26 H GLU 26 25.834 -9.129 -22.123 210 HA GLU 26 HA GLU 26 26.623 -6.797 -23.550 211 HB2 GLU 26 2HB GLU 26 25.887 -6.952 -20.627 212 HB3 GLU 26 3HB GLU 26 25.761 -5.558 -21.691 213 HG2 GLU 26 2HG GLU 26 24.134 -7.052 -23.044 214 HG3 GLU 26 3HG GLU 26 24.039 -7.992 -21.555 215 H GLY 27 H GLY 27 28.127 -8.795 -21.142 216 HA2 GLY 27 2HA GLY 27 30.660 -8.457 -21.317 217 HA3 GLY 27 3HA GLY 27 30.285 -6.814 -20.820 218 H ASN 28 H ASN 28 31.795 -9.179 -19.593 219 HA ASN 28 HA ASN 28 30.327 -9.793 -17.201 220 HB2 ASN 28 2HB ASN 28 32.858 -10.601 -18.431 221 HB3 ASN 28 3HB ASN 28 32.957 -10.451 -16.679 222 HD21 ASN 28 1HD2 ASN 28 32.814 -12.729 -18.736 223 HD22 ASN 28 2HD2 ASN 28 31.653 -13.808 -18.048 224 H LYS 29 H LYS 29 30.209 -8.605 -15.421 225 HA LYS 29 HA LYS 29 31.249 -6.060 -15.137 226 HB2 LYS 29 2HB LYS 29 29.890 -7.993 -13.421 227 HB3 LYS 29 3HB LYS 29 30.977 -6.937 -12.527 228 HG2 LYS 29 2HG LYS 29 29.429 -5.361 -12.552 229 HG3 LYS 29 3HG LYS 29 29.536 -5.301 -14.313 230 HD2 LYS 29 2HD LYS 29 27.989 -7.457 -14.078 231 HD3 LYS 29 3HD LYS 29 27.554 -6.655 -12.567 232 HE2 LYS 29 2HE LYS 29 27.622 -4.858 -14.868 233 HE3 LYS 29 3HE LYS 29 26.443 -6.159 -15.029 234 HZ1 LYS 29 3HZ LYS 29 25.922 -3.886 -13.781 235 HZ2 LYS 29 1HZ LYS 29 26.507 -4.778 -12.468 236 HZ3 LYS 29 2HZ LYS 29 25.187 -5.350 -13.357 237 H ASP 30 H ASP 30 32.395 -8.969 -13.413 238 HA ASP 30 HA ASP 30 34.878 -7.611 -12.751 239 HB2 ASP 30 2HB ASP 30 34.315 -10.487 -12.109 240 HB3 ASP 30 3HB ASP 30 35.264 -9.311 -11.204 241 H LYS 31 H LYS 31 34.761 -7.809 -15.426 242 HA LYS 31 HA LYS 31 36.116 -10.214 -16.315 243 HB2 LYS 31 2HB LYS 31 35.943 -9.286 -18.534 244 HB3 LYS 31 3HB LYS 31 34.398 -9.089 -17.717 245 HG2 LYS 31 2HG LYS 31 34.585 -7.021 -18.616 246 HG3 LYS 31 3HG LYS 31 35.452 -6.734 -17.105 247 HD2 LYS 31 2HD LYS 31 37.417 -7.701 -18.768 248 HD3 LYS 31 3HD LYS 31 36.425 -6.728 -19.856 249 HE2 LYS 31 2HE LYS 31 37.035 -5.507 -17.245 250 HE3 LYS 31 3HE LYS 31 38.415 -5.737 -18.318 251 HZ1 LYS 31 3HZ LYS 31 37.479 -3.595 -18.720 252 HZ2 LYS 31 1HZ LYS 31 35.926 -4.236 -18.917 253 HZ3 LYS 31 2HZ LYS 31 37.129 -4.569 -20.058 254 H TRP 32 H TRP 32 36.923 -7.029 -15.280 255 HA TRP 32 HA TRP 32 39.417 -6.750 -16.582 256 HD1 TRP 32 HD1 TRP 32 36.109 -4.996 -14.329 257 HE1 TRP 32 HE1 TRP 32 35.547 -5.158 -11.822 258 HE3 TRP 32 HE3 TRP 32 40.768 -6.075 -12.521 259 HZ2 TRP 32 HZ2 TRP 32 36.900 -5.673 -9.399 260 HZ3 TRP 32 HZ3 TRP 32 41.049 -6.387 -10.096 261 HH2 TRP 32 HH2 TRP 32 39.154 -6.189 -8.570 262 HB2 TRP 32 2HB TRP 32 39.880 -5.074 -14.760 263 HB3 TRP 32 3HB TRP 32 38.387 -4.800 -15.654 264 H LYS 33 H LYS 33 38.391 -8.546 -13.813 265 HA LYS 33 HA LYS 33 40.870 -8.813 -12.493 266 HB2 LYS 33 2HB LYS 33 38.700 -10.905 -12.524 267 HB3 LYS 33 3HB LYS 33 39.858 -10.564 -11.245 268 HG2 LYS 33 2HG LYS 33 38.461 -8.177 -11.637 269 HG3 LYS 33 3HG LYS 33 37.246 -9.456 -11.691 270 HD2 LYS 33 2HD LYS 33 39.302 -9.117 -9.508 271 HD3 LYS 33 3HD LYS 33 37.627 -8.571 -9.410 272 HE2 LYS 33 2HE LYS 33 36.989 -10.594 -8.755 273 HE3 LYS 33 3HE LYS 33 37.646 -11.297 -10.232 274 HZ1 LYS 33 3HZ LYS 33 38.577 -11.631 -7.641 275 HZ2 LYS 33 1HZ LYS 33 39.745 -10.706 -8.443 276 HZ3 LYS 33 2HZ LYS 33 39.278 -12.206 -9.069 277 H ASN 34 H ASN 34 39.645 -10.186 -15.388 278 HA ASN 34 HA ASN 34 41.456 -12.449 -15.371 279 HB2 ASN 34 2HB ASN 34 39.136 -11.610 -16.912 280 HB3 ASN 34 3HB ASN 34 40.436 -12.188 -17.950 281 HD21 ASN 34 1HD2 ASN 34 38.475 -13.024 -15.146 282 HD22 ASN 34 2HD2 ASN 34 38.546 -14.734 -15.380 283 H ILE 35 H ILE 35 41.987 -9.301 -15.724 284 HA ILE 35 HA ILE 35 43.717 -9.452 -18.070 285 HB ILE 35 HB ILE 35 43.257 -7.065 -16.285 286 HG12 ILE 35 2HG1 ILE 35 41.796 -7.861 -18.813 287 HG13 ILE 35 3HG1 ILE 35 41.114 -7.848 -17.190 288 HG21 ILE 35 1HG2 ILE 35 45.154 -7.451 -18.193 289 HG22 ILE 35 2HG2 ILE 35 43.858 -6.712 -19.132 290 HG23 ILE 35 3HG2 ILE 35 44.509 -5.879 -17.721 291 HD11 ILE 35 3HD1 ILE 35 40.440 -5.904 -18.518 292 HD12 ILE 35 1HD1 ILE 35 41.350 -5.448 -17.079 293 HD13 ILE 35 2HD1 ILE 35 42.131 -5.428 -18.660 Start of MODEL 7 1 HA LYS 1 HA LYS 1 -1.188 -0.496 -2.686 2 H1 LYS 1 H LYS 1 -3.802 -1.259 -2.950 3 HB2 LYS 1 2HB LYS 1 -2.172 -1.876 -0.184 4 HB3 LYS 1 3HB LYS 1 -0.474 -1.688 -0.601 5 HG2 LYS 1 2HG LYS 1 -0.449 0.316 0.329 6 HG3 LYS 1 3HG LYS 1 -1.724 0.861 -0.764 7 HD2 LYS 1 2HD LYS 1 -3.201 -0.552 0.973 8 HD3 LYS 1 3HD LYS 1 -1.887 -0.059 2.043 9 HE2 LYS 1 2HE LYS 1 -2.634 2.195 0.498 10 HE3 LYS 1 3HE LYS 1 -4.112 1.464 1.121 11 HZ1 LYS 1 3HZ LYS 1 -2.675 3.188 2.509 12 HZ2 LYS 1 1HZ LYS 1 -1.908 1.763 3.001 13 HZ3 LYS 1 2HZ LYS 1 -3.570 1.955 3.243 14 H LYS 2 H LYS 2 -1.372 -1.753 -4.616 15 HA LYS 2 HA LYS 2 -1.989 -4.519 -4.599 16 HB2 LYS 2 2HB LYS 2 -0.307 -3.017 -6.611 17 HB3 LYS 2 3HB LYS 2 -1.136 -4.548 -6.866 18 HG2 LYS 2 2HG LYS 2 -2.764 -3.315 -7.753 19 HG3 LYS 2 3HG LYS 2 -3.180 -2.906 -6.087 20 HD2 LYS 2 2HD LYS 2 -1.181 -1.123 -6.628 21 HD3 LYS 2 3HD LYS 2 -1.986 -1.256 -8.193 22 HE2 LYS 2 2HE LYS 2 -4.009 -0.475 -7.356 23 HE3 LYS 2 3HE LYS 2 -3.582 -0.863 -5.690 24 HZ1 LYS 2 3HZ LYS 2 -3.370 1.586 -6.906 25 HZ2 LYS 2 1HZ LYS 2 -1.776 1.027 -6.816 26 HZ3 LYS 2 2HZ LYS 2 -2.711 1.144 -5.412 27 H TRP 3 H TRP 3 1.069 -2.731 -4.514 28 HA TRP 3 HA TRP 3 3.194 -3.356 -3.996 29 HD1 TRP 3 HD1 TRP 3 3.535 -2.010 -2.470 30 HE1 TRP 3 HE1 TRP 3 3.092 -0.708 -0.294 31 HE3 TRP 3 HE3 TRP 3 0.950 -5.590 0.106 32 HZ2 TRP 3 HZ2 TRP 3 1.816 -1.142 2.186 33 HZ3 TRP 3 HZ3 TRP 3 0.153 -5.067 2.375 34 HH2 TRP 3 HH2 TRP 3 0.579 -2.888 3.391 35 HB2 TRP 3 2HB TRP 3 1.578 -5.293 -2.351 36 HB3 TRP 3 3HB TRP 3 3.339 -5.305 -2.316 37 H GLY 4 H GLY 4 2.567 -4.151 -6.469 38 HA2 GLY 4 2HA GLY 4 3.174 -6.996 -6.737 39 HA3 GLY 4 3HA GLY 4 2.704 -5.907 -8.034 40 H TRP 5 H TRP 5 5.137 -4.758 -5.915 41 HA TRP 5 HA TRP 5 7.061 -4.755 -8.059 42 HD1 TRP 5 HD1 TRP 5 5.661 -2.932 -8.403 43 HE1 TRP 5 HE1 TRP 5 4.575 -0.614 -8.132 44 HE3 TRP 5 HE3 TRP 5 7.771 -1.563 -3.952 45 HZ2 TRP 5 HZ2 TRP 5 4.609 1.514 -6.278 46 HZ3 TRP 5 HZ3 TRP 5 7.192 0.630 -2.998 47 HH2 TRP 5 HH2 TRP 5 5.645 2.135 -4.139 48 HB2 TRP 5 2HB TRP 5 7.423 -3.866 -5.190 49 HB3 TRP 5 3HB TRP 5 8.456 -3.458 -6.557 50 H LEU 6 H LEU 6 7.142 -5.978 -4.704 51 HA LEU 6 HA LEU 6 9.488 -7.517 -5.101 52 HG LEU 6 HG LEU 6 6.247 -7.672 -3.460 53 HB2 LEU 6 2HB LEU 6 8.827 -8.598 -2.945 54 HB3 LEU 6 3HB LEU 6 8.960 -6.841 -2.895 55 HD11 LEU 6 1HD1 LEU 6 6.181 -9.503 -2.169 56 HD12 LEU 6 2HD1 LEU 6 6.205 -8.355 -0.831 57 HD13 LEU 6 3HD1 LEU 6 7.703 -9.118 -1.366 58 HD21 LEU 6 3HD2 LEU 6 7.056 -6.319 -0.946 59 HD22 LEU 6 1HD2 LEU 6 5.739 -5.951 -2.061 60 HD23 LEU 6 2HD2 LEU 6 7.393 -5.494 -2.469 61 H ALA 7 H ALA 7 6.122 -8.113 -5.660 62 HA ALA 7 HA ALA 7 6.213 -10.949 -5.682 63 HB1 ALA 7 1HB ALA 7 4.275 -9.298 -7.272 64 HB2 ALA 7 2HB ALA 7 4.030 -10.881 -6.532 65 HB3 ALA 7 3HB ALA 7 4.160 -9.444 -5.518 66 H TRP 8 H TRP 8 6.959 -8.488 -8.037 67 HA TRP 8 HA TRP 8 7.136 -10.424 -10.203 68 HD1 TRP 8 HD1 TRP 8 4.744 -9.270 -9.590 69 HE1 TRP 8 HE1 TRP 8 2.754 -8.930 -11.187 70 HE3 TRP 8 HE3 TRP 8 7.201 -7.057 -13.489 71 HZ2 TRP 8 HZ2 TRP 8 2.287 -7.865 -13.759 72 HZ3 TRP 8 HZ3 TRP 8 5.909 -6.409 -15.481 73 HH2 TRP 8 HH2 TRP 8 3.504 -6.805 -15.611 74 HB2 TRP 8 2HB TRP 8 7.387 -7.436 -10.026 75 HB3 TRP 8 3HB TRP 8 7.967 -8.296 -11.449 76 H VAL 9 H VAL 9 9.196 -8.710 -7.987 77 HA VAL 9 HA VAL 9 11.630 -9.255 -9.427 78 HB VAL 9 HB VAL 9 11.233 -8.311 -6.584 79 HG11 VAL 9 1HG1 VAL 9 13.405 -9.309 -6.816 80 HG12 VAL 9 2HG1 VAL 9 13.697 -8.428 -8.317 81 HG13 VAL 9 3HG1 VAL 9 13.592 -7.556 -6.787 82 HG21 VAL 9 3HG2 VAL 9 12.298 -6.374 -8.438 83 HG22 VAL 9 1HG2 VAL 9 10.731 -6.976 -8.979 84 HG23 VAL 9 2HG2 VAL 9 10.895 -6.258 -7.376 85 H ASP 10 H ASP 10 9.702 -10.840 -7.029 86 HA ASP 10 HA ASP 10 11.555 -12.474 -5.768 87 HB2 ASP 10 2HB ASP 10 8.673 -12.446 -6.151 88 HB3 ASP 10 3HB ASP 10 9.309 -14.088 -6.098 89 HA PRO 11 HA PRO 11 10.928 -15.797 -9.210 90 HB2 PRO 11 2HB PRO 11 9.547 -15.062 -11.429 91 HB3 PRO 11 3HB PRO 11 8.771 -15.753 -9.999 92 HG2 PRO 11 2HG PRO 11 8.995 -12.887 -10.834 93 HG3 PRO 11 3HG PRO 11 7.597 -13.753 -10.171 94 HD2 PRO 11 2HD PRO 11 9.161 -12.140 -8.660 95 HD3 PRO 11 3HD PRO 11 8.359 -13.581 -8.003 96 H ALA 12 H ALA 12 11.452 -12.452 -10.015 97 HA ALA 12 HA ALA 12 12.968 -12.908 -12.392 98 HB1 ALA 12 1HB ALA 12 13.384 -10.599 -12.410 99 HB2 ALA 12 2HB ALA 12 11.773 -10.764 -11.709 100 HB3 ALA 12 3HB ALA 12 13.162 -10.458 -10.665 101 H TYR 13 H TYR 13 13.877 -12.032 -9.058 102 HA TYR 13 HA TYR 13 16.651 -12.088 -9.454 103 HD1 TYR 13 HD1 TYR 13 18.279 -13.325 -7.421 104 HD2 TYR 13 HD2 TYR 13 16.359 -9.659 -6.433 105 HE1 TYR 13 HE1 TYR 13 20.425 -12.421 -6.631 106 HE2 TYR 13 HE2 TYR 13 18.500 -8.744 -5.641 107 HH TYR 13 HH TYR 13 20.920 -9.140 -6.009 108 HB2 TYR 13 2HB TYR 13 15.112 -11.330 -7.405 109 HB3 TYR 13 3HB TYR 13 15.567 -12.922 -6.810 110 H GLU 14 H GLU 14 14.475 -14.600 -8.175 111 HA GLU 14 HA GLU 14 16.380 -16.579 -7.737 112 HB2 GLU 14 2HB GLU 14 14.585 -18.127 -7.641 113 HB3 GLU 14 3HB GLU 14 13.949 -16.602 -7.042 114 HG2 GLU 14 2HG GLU 14 12.896 -16.176 -9.191 115 HG3 GLU 14 3HG GLU 14 13.561 -17.681 -9.824 116 H PHE 15 H PHE 15 14.895 -15.489 -10.690 117 HA PHE 15 HA PHE 15 15.552 -17.737 -12.292 118 HD1 PHE 15 HD1 PHE 15 12.657 -17.236 -12.365 119 HD2 PHE 15 HD2 PHE 15 15.073 -16.587 -15.809 120 HE1 PHE 15 HE1 PHE 15 11.175 -18.698 -13.676 121 HE2 PHE 15 HE2 PHE 15 13.594 -18.047 -17.125 122 HZ PHE 15 HZ PHE 15 11.641 -19.104 -16.059 123 HB2 PHE 15 2HB PHE 15 14.248 -15.228 -12.648 124 HB3 PHE 15 3HB PHE 15 15.493 -15.372 -13.885 125 H ILE 16 H ILE 16 17.201 -14.703 -11.563 126 HA ILE 16 HA ILE 16 19.306 -14.962 -13.407 127 HB ILE 16 HB ILE 16 19.357 -13.581 -10.721 128 HG12 ILE 16 2HG1 ILE 16 17.541 -12.739 -12.110 129 HG13 ILE 16 3HG1 ILE 16 18.830 -11.544 -12.026 130 HG21 ILE 16 1HG2 ILE 16 21.570 -13.604 -11.290 131 HG22 ILE 16 2HG2 ILE 16 21.238 -13.670 -13.020 132 HG23 ILE 16 3HG2 ILE 16 21.054 -12.150 -12.145 133 HD11 ILE 16 3HD1 ILE 16 19.636 -12.514 -14.239 134 HD12 ILE 16 1HD1 ILE 16 18.065 -13.310 -14.318 135 HD13 ILE 16 2HD1 ILE 16 18.159 -11.550 -14.257 136 H LYS 17 H LYS 17 18.717 -16.460 -10.339 137 HA LYS 17 HA LYS 17 21.350 -17.192 -9.663 138 HB2 LYS 17 2HB LYS 17 18.736 -18.571 -9.023 139 HB3 LYS 17 3HB LYS 17 20.277 -18.930 -8.254 140 HG2 LYS 17 2HG LYS 17 19.128 -16.165 -8.203 141 HG3 LYS 17 3HG LYS 17 18.629 -17.391 -7.035 142 HD2 LYS 17 2HD LYS 17 21.210 -17.698 -6.712 143 HD3 LYS 17 3HD LYS 17 21.285 -16.071 -7.392 144 HE2 LYS 17 2HE LYS 17 21.111 -15.569 -5.167 145 HE3 LYS 17 3HE LYS 17 19.404 -15.604 -5.609 146 HZ1 LYS 17 3HZ LYS 17 19.510 -18.038 -4.910 147 HZ2 LYS 17 1HZ LYS 17 19.533 -16.874 -3.682 148 HZ3 LYS 17 2HZ LYS 17 20.967 -17.640 -4.148 149 H GLY 18 H GLY 18 19.063 -18.501 -11.934 150 HA2 GLY 18 2HA GLY 18 20.606 -20.950 -12.291 151 HA3 GLY 18 3HA GLY 18 19.099 -20.541 -13.096 152 H PHE 19 H PHE 19 20.200 -17.849 -13.808 153 HA PHE 19 HA PHE 19 21.374 -18.650 -16.312 154 HD1 PHE 19 HD1 PHE 19 18.830 -17.829 -17.426 155 HD2 PHE 19 HD2 PHE 19 22.216 -15.285 -17.847 156 HE1 PHE 19 HE1 PHE 19 18.456 -17.738 -19.856 157 HE2 PHE 19 HE2 PHE 19 21.847 -15.189 -20.277 158 HZ PHE 19 HZ PHE 19 19.964 -16.416 -21.285 159 HB2 PHE 19 2HB PHE 19 19.817 -16.521 -15.503 160 HB3 PHE 19 3HB PHE 19 21.401 -15.784 -15.715 161 H GLY 20 H GLY 20 22.487 -17.395 -13.272 162 HA2 GLY 20 2HA GLY 20 25.168 -16.944 -14.408 163 HA3 GLY 20 3HA GLY 20 24.589 -16.284 -12.885 164 H LYS 21 H LYS 21 24.108 -19.615 -13.864 165 HA LYS 21 HA LYS 21 25.091 -20.664 -11.454 166 HB2 LYS 21 2HB LYS 21 24.678 -22.783 -12.356 167 HB3 LYS 21 3HB LYS 21 23.525 -21.746 -13.186 168 HG2 LYS 21 2HG LYS 21 26.178 -22.620 -14.310 169 HG3 LYS 21 3HG LYS 21 24.620 -23.361 -14.683 170 HD2 LYS 21 2HD LYS 21 23.945 -20.911 -15.311 171 HD3 LYS 21 3HD LYS 21 25.689 -20.683 -15.463 172 HE2 LYS 21 2HE LYS 21 24.835 -23.120 -16.756 173 HE3 LYS 21 3HE LYS 21 23.948 -21.728 -17.376 174 HZ1 LYS 21 3HZ LYS 21 26.775 -22.379 -17.605 175 HZ2 LYS 21 1HZ LYS 21 26.401 -20.745 -17.377 176 HZ3 LYS 21 2HZ LYS 21 25.754 -21.584 -18.695 177 H GLY 22 H GLY 22 26.724 -19.568 -14.246 178 HA2 GLY 22 2HA GLY 22 29.276 -19.835 -13.136 179 HA3 GLY 22 3HA GLY 22 29.014 -21.214 -14.192 180 H ALA 23 H ALA 23 27.938 -17.854 -14.563 181 HA ALA 23 HA ALA 23 29.892 -17.292 -16.595 182 HB1 ALA 23 1HB ALA 23 27.133 -17.123 -17.665 183 HB2 ALA 23 2HB ALA 23 28.656 -17.435 -18.497 184 HB3 ALA 23 3HB ALA 23 27.876 -18.720 -17.575 185 H ILE 24 H ILE 24 30.356 -15.474 -15.368 186 HA ILE 24 HA ILE 24 28.297 -13.601 -14.633 187 HB ILE 24 HB ILE 24 31.301 -13.295 -14.534 188 HG12 ILE 24 2HG1 ILE 24 30.546 -15.135 -13.128 189 HG13 ILE 24 3HG1 ILE 24 31.026 -13.773 -12.121 190 HG21 ILE 24 1HG2 ILE 24 29.083 -11.653 -13.325 191 HG22 ILE 24 2HG2 ILE 24 30.785 -11.498 -12.892 192 HG23 ILE 24 3HG2 ILE 24 30.257 -11.137 -14.536 193 HD11 ILE 24 3HD1 ILE 24 28.297 -14.846 -12.673 194 HD12 ILE 24 1HD1 ILE 24 29.074 -14.497 -11.129 195 HD13 ILE 24 2HD1 ILE 24 28.515 -13.175 -12.155 196 H LYS 25 H LYS 25 30.431 -14.074 -17.309 197 HA LYS 25 HA LYS 25 30.405 -11.404 -18.298 198 HB2 LYS 25 2HB LYS 25 31.210 -12.455 -20.417 199 HB3 LYS 25 3HB LYS 25 32.164 -12.878 -19.001 200 HG2 LYS 25 2HG LYS 25 31.933 -14.995 -19.620 201 HG3 LYS 25 3HG LYS 25 30.242 -14.866 -19.132 202 HD2 LYS 25 2HD LYS 25 29.544 -14.380 -21.340 203 HD3 LYS 25 3HD LYS 25 31.201 -14.092 -21.878 204 HE2 LYS 25 2HE LYS 25 30.703 -16.757 -20.741 205 HE3 LYS 25 3HE LYS 25 29.838 -16.414 -22.239 206 HZ1 LYS 25 3HZ LYS 25 32.273 -15.531 -22.852 207 HZ2 LYS 25 1HZ LYS 25 31.751 -17.111 -23.157 208 HZ3 LYS 25 2HZ LYS 25 32.680 -16.778 -21.783 209 H GLU 26 H GLU 26 28.400 -14.250 -18.826 210 HA GLU 26 HA GLU 26 26.898 -13.156 -20.979 211 HB2 GLU 26 2HB GLU 26 26.095 -15.352 -19.064 212 HB3 GLU 26 3HB GLU 26 25.392 -15.033 -20.644 213 HG2 GLU 26 2HG GLU 26 28.299 -15.681 -20.331 214 HG3 GLU 26 3HG GLU 26 27.074 -16.944 -20.431 215 H GLY 27 H GLY 27 26.530 -13.171 -17.482 216 HA2 GLY 27 2HA GLY 27 23.959 -11.785 -17.700 217 HA3 GLY 27 3HA GLY 27 24.662 -12.434 -16.226 218 H ASN 28 H ASN 28 26.589 -11.300 -15.375 219 HA ASN 28 HA ASN 28 26.094 -8.588 -14.988 220 HB2 ASN 28 2HB ASN 28 27.617 -10.310 -13.690 221 HB3 ASN 28 3HB ASN 28 28.882 -9.635 -14.714 222 HD21 ASN 28 1HD2 ASN 28 27.694 -9.438 -11.762 223 HD22 ASN 28 2HD2 ASN 28 27.959 -7.768 -11.405 224 H LYS 29 H LYS 29 25.956 -7.288 -16.742 225 HA LYS 29 HA LYS 29 27.833 -7.409 -18.908 226 HB2 LYS 29 2HB LYS 29 25.462 -5.739 -18.216 227 HB3 LYS 29 3HB LYS 29 26.601 -5.105 -19.396 228 HG2 LYS 29 2HG LYS 29 25.566 -6.289 -20.951 229 HG3 LYS 29 3HG LYS 29 26.120 -7.760 -20.148 230 HD2 LYS 29 2HD LYS 29 24.101 -7.638 -18.688 231 HD3 LYS 29 3HD LYS 29 23.535 -6.282 -19.666 232 HE2 LYS 29 2HE LYS 29 23.960 -7.985 -21.638 233 HE3 LYS 29 3HE LYS 29 23.749 -9.172 -20.352 234 HZ1 LYS 29 3HZ LYS 29 21.736 -7.155 -20.269 235 HZ2 LYS 29 1HZ LYS 29 21.569 -8.837 -20.349 236 HZ3 LYS 29 2HZ LYS 29 21.759 -7.937 -21.769 237 H ASP 30 H ASP 30 27.119 -4.990 -16.391 238 HA ASP 30 HA ASP 30 29.573 -3.564 -17.018 239 HB2 ASP 30 2HB ASP 30 27.486 -2.997 -14.901 240 HB3 ASP 30 3HB ASP 30 28.803 -1.926 -15.369 241 H LYS 31 H LYS 31 30.258 -6.035 -16.219 242 HA LYS 31 HA LYS 31 30.802 -6.053 -13.371 243 HB2 LYS 31 2HB LYS 31 31.721 -8.253 -13.734 244 HB3 LYS 31 3HB LYS 31 30.194 -8.130 -14.598 245 HG2 LYS 31 2HG LYS 31 31.433 -9.107 -16.219 246 HG3 LYS 31 3HG LYS 31 31.810 -7.420 -16.579 247 HD2 LYS 31 2HD LYS 31 33.692 -8.021 -14.699 248 HD3 LYS 31 3HD LYS 31 33.528 -9.562 -15.544 249 HE2 LYS 31 2HE LYS 31 33.586 -7.546 -17.515 250 HE3 LYS 31 3HE LYS 31 34.878 -7.178 -16.373 251 HZ1 LYS 31 3HZ LYS 31 34.493 -9.849 -17.606 252 HZ2 LYS 31 1HZ LYS 31 35.821 -9.315 -16.703 253 HZ3 LYS 31 2HZ LYS 31 35.527 -8.668 -18.238 254 H TRP 32 H TRP 32 32.388 -5.166 -16.302 255 HA TRP 32 HA TRP 32 35.073 -5.409 -15.449 256 HD1 TRP 32 HD1 TRP 32 32.165 -4.870 -18.664 257 HE1 TRP 32 HE1 TRP 32 30.799 -2.792 -19.327 258 HE3 TRP 32 HE3 TRP 32 35.174 -1.250 -16.669 259 HZ2 TRP 32 HZ2 TRP 32 30.974 0.010 -19.043 260 HZ3 TRP 32 HZ3 TRP 32 34.503 1.105 -16.909 261 HH2 TRP 32 HH2 TRP 32 32.446 1.720 -18.072 262 HB2 TRP 32 2HB TRP 32 35.528 -3.758 -17.299 263 HB3 TRP 32 3HB TRP 32 34.637 -5.196 -17.790 264 H LYS 33 H LYS 33 32.597 -3.200 -14.643 265 HA LYS 33 HA LYS 33 34.046 -0.870 -14.103 266 HB2 LYS 33 2HB LYS 33 31.645 -1.918 -12.593 267 HB3 LYS 33 3HB LYS 33 32.200 -0.249 -12.640 268 HG2 LYS 33 2HG LYS 33 31.468 -1.656 -15.171 269 HG3 LYS 33 3HG LYS 33 30.215 -0.981 -14.128 270 HD2 LYS 33 2HD LYS 33 32.573 0.620 -15.097 271 HD3 LYS 33 3HD LYS 33 31.052 0.521 -15.987 272 HE2 LYS 33 2HE LYS 33 30.607 1.128 -13.196 273 HE3 LYS 33 3HE LYS 33 31.692 2.301 -13.941 274 HZ1 LYS 33 3HZ LYS 33 29.937 3.252 -14.865 275 HZ2 LYS 33 1HZ LYS 33 28.904 2.087 -14.203 276 HZ3 LYS 33 2HZ LYS 33 29.601 1.833 -15.723 277 H ASN 34 H ASN 34 33.937 -3.892 -12.449 278 HA ASN 34 HA ASN 34 35.002 -2.830 -9.972 279 HB2 ASN 34 2HB ASN 34 33.880 -5.374 -10.887 280 HB3 ASN 34 3HB ASN 34 35.279 -5.573 -9.835 281 HD21 ASN 34 1HD2 ASN 34 32.430 -3.457 -10.001 282 HD22 ASN 34 2HD2 ASN 34 31.992 -3.637 -8.340 283 H ILE 35 H ILE 35 36.328 -3.198 -12.873 284 HA ILE 35 HA ILE 35 38.814 -4.464 -12.014 285 HB ILE 35 HB ILE 35 38.150 -3.338 -14.734 286 HG12 ILE 35 2HG1 ILE 35 37.882 -6.174 -13.712 287 HG13 ILE 35 3HG1 ILE 35 36.551 -5.097 -14.122 288 HG21 ILE 35 1HG2 ILE 35 40.552 -3.653 -14.176 289 HG22 ILE 35 2HG2 ILE 35 40.225 -5.367 -13.928 290 HG23 ILE 35 3HG2 ILE 35 39.998 -4.649 -15.522 291 HD11 ILE 35 3HD1 ILE 35 38.559 -6.345 -15.970 292 HD12 ILE 35 1HD1 ILE 35 36.811 -6.573 -15.937 293 HD13 ILE 35 2HD1 ILE 35 37.489 -5.031 -16.458 Start of MODEL 8 1 HA LYS 1 HA LYS 1 -2.331 -0.747 -4.568 2 H1 LYS 1 H LYS 1 -4.249 -1.077 -2.877 3 HB2 LYS 1 2HB LYS 1 -1.375 0.745 -2.120 4 HB3 LYS 1 3HB LYS 1 -0.333 0.271 -3.455 5 HG2 LYS 1 2HG LYS 1 -0.800 2.252 -4.342 6 HG3 LYS 1 3HG LYS 1 -2.400 1.599 -4.704 7 HD2 LYS 1 2HD LYS 1 -2.898 2.334 -2.227 8 HD3 LYS 1 3HD LYS 1 -1.537 3.423 -2.507 9 HE2 LYS 1 2HE LYS 1 -3.998 3.226 -4.241 10 HE3 LYS 1 3HE LYS 1 -3.715 4.464 -3.018 11 HZ1 LYS 1 3HZ LYS 1 -2.625 5.633 -4.529 12 HZ2 LYS 1 1HZ LYS 1 -2.853 4.421 -5.688 13 HZ3 LYS 1 2HZ LYS 1 -1.485 4.394 -4.693 14 H LYS 2 H LYS 2 -2.927 -3.006 -4.041 15 HA LYS 2 HA LYS 2 -2.101 -4.400 -1.794 16 HB2 LYS 2 2HB LYS 2 -2.066 -6.408 -3.291 17 HB3 LYS 2 3HB LYS 2 -3.542 -5.456 -3.391 18 HG2 LYS 2 2HG LYS 2 -3.199 -5.729 -5.601 19 HG3 LYS 2 3HG LYS 2 -2.167 -4.314 -5.377 20 HD2 LYS 2 2HD LYS 2 -0.558 -5.560 -6.312 21 HD3 LYS 2 3HD LYS 2 -0.481 -6.386 -4.754 22 HE2 LYS 2 2HE LYS 2 -2.043 -7.213 -7.195 23 HE3 LYS 2 3HE LYS 2 -0.660 -8.039 -6.479 24 HZ1 LYS 2 3HZ LYS 2 -3.435 -7.894 -5.510 25 HZ2 LYS 2 1HZ LYS 2 -2.177 -8.156 -4.410 26 HZ3 LYS 2 2HZ LYS 2 -2.431 -9.244 -5.679 27 H TRP 3 H TRP 3 -0.241 -3.221 -4.479 28 HA TRP 3 HA TRP 3 1.974 -3.324 -5.009 29 HD1 TRP 3 HD1 TRP 3 2.787 -1.235 -5.122 30 HE1 TRP 3 HE1 TRP 3 2.447 1.233 -4.475 31 HE3 TRP 3 HE3 TRP 3 1.752 -1.834 -0.152 32 HZ2 TRP 3 HZ2 TRP 3 1.824 2.728 -2.163 33 HZ3 TRP 3 HZ3 TRP 3 1.296 0.166 1.207 34 HH2 TRP 3 HH2 TRP 3 1.332 2.399 0.221 35 HB2 TRP 3 2HB TRP 3 2.024 -3.401 -1.997 36 HB3 TRP 3 3HB TRP 3 3.507 -3.363 -2.948 37 H GLY 4 H GLY 4 1.356 -5.499 -5.944 38 HA2 GLY 4 2HA GLY 4 2.778 -7.666 -4.528 39 HA3 GLY 4 3HA GLY 4 1.440 -7.923 -5.637 40 H TRP 5 H TRP 5 3.639 -5.514 -6.615 41 HA TRP 5 HA TRP 5 4.480 -7.124 -8.854 42 HD1 TRP 5 HD1 TRP 5 2.324 -6.184 -9.429 43 HE1 TRP 5 HE1 TRP 5 0.445 -4.463 -9.796 44 HE3 TRP 5 HE3 TRP 5 4.995 -1.891 -8.673 45 HZ2 TRP 5 HZ2 TRP 5 0.137 -1.658 -9.770 46 HZ3 TRP 5 HZ3 TRP 5 3.834 0.270 -8.863 47 HH2 TRP 5 HH2 TRP 5 1.455 0.382 -9.400 48 HB2 TRP 5 2HB TRP 5 5.432 -4.344 -8.160 49 HB3 TRP 5 3HB TRP 5 5.425 -5.120 -9.741 50 H LEU 6 H LEU 6 6.110 -5.477 -6.153 51 HA LEU 6 HA LEU 6 8.712 -6.325 -6.771 52 HG LEU 6 HG LEU 6 6.415 -6.085 -3.927 53 HB2 LEU 6 2HB LEU 6 9.282 -5.717 -4.505 54 HB3 LEU 6 3HB LEU 6 8.205 -4.512 -5.207 55 HD11 LEU 6 1HD1 LEU 6 8.886 -6.972 -2.949 56 HD12 LEU 6 2HD1 LEU 6 7.282 -7.335 -2.316 57 HD13 LEU 6 3HD1 LEU 6 8.190 -5.965 -1.679 58 HD21 LEU 6 3HD2 LEU 6 6.217 -4.333 -2.364 59 HD22 LEU 6 1HD2 LEU 6 6.819 -3.582 -3.842 60 HD23 LEU 6 2HD2 LEU 6 7.923 -3.907 -2.505 61 H ALA 7 H ALA 7 6.058 -7.951 -5.251 62 HA ALA 7 HA ALA 7 7.478 -9.961 -3.876 63 HB1 ALA 7 1HB ALA 7 4.681 -9.784 -4.947 64 HB2 ALA 7 2HB ALA 7 5.279 -11.247 -4.163 65 HB3 ALA 7 3HB ALA 7 5.234 -9.725 -3.273 66 H TRP 8 H TRP 8 6.575 -9.577 -7.223 67 HA TRP 8 HA TRP 8 7.306 -12.317 -7.876 68 HD1 TRP 8 HD1 TRP 8 4.695 -11.671 -7.064 69 HE1 TRP 8 HE1 TRP 8 2.629 -13.108 -7.605 70 HE3 TRP 8 HE3 TRP 8 5.413 -12.262 -12.091 71 HZ2 TRP 8 HZ2 TRP 8 1.459 -14.331 -9.865 72 HZ3 TRP 8 HZ3 TRP 8 3.775 -13.580 -13.369 73 HH2 TRP 8 HH2 TRP 8 1.840 -14.593 -12.277 74 HB2 TRP 8 2HB TRP 8 6.109 -10.030 -9.404 75 HB3 TRP 8 3HB TRP 8 6.830 -11.383 -10.271 76 H VAL 9 H VAL 9 8.635 -9.110 -7.998 77 HA VAL 9 HA VAL 9 10.758 -9.763 -9.825 78 HB VAL 9 HB VAL 9 10.452 -7.387 -7.983 79 HG11 VAL 9 1HG1 VAL 9 12.706 -7.385 -8.477 80 HG12 VAL 9 2HG1 VAL 9 12.465 -8.102 -10.072 81 HG13 VAL 9 3HG1 VAL 9 12.050 -6.411 -9.792 82 HG21 VAL 9 3HG2 VAL 9 9.650 -6.191 -9.917 83 HG22 VAL 9 1HG2 VAL 9 9.894 -7.608 -10.938 84 HG23 VAL 9 2HG2 VAL 9 8.660 -7.631 -9.679 85 H ASP 10 H ASP 10 10.262 -9.863 -6.391 86 HA ASP 10 HA ASP 10 12.860 -9.777 -5.428 87 HB2 ASP 10 2HB ASP 10 10.283 -10.659 -4.462 88 HB3 ASP 10 3HB ASP 10 11.555 -11.743 -3.907 89 HA PRO 11 HA PRO 11 13.216 -14.553 -6.017 90 HB2 PRO 11 2HB PRO 11 11.263 -15.791 -7.439 91 HB3 PRO 11 3HB PRO 11 11.181 -15.566 -5.688 92 HG2 PRO 11 2HG PRO 11 9.887 -13.971 -7.866 93 HG3 PRO 11 3HG PRO 11 9.204 -14.521 -6.325 94 HD2 PRO 11 2HD PRO 11 10.092 -11.991 -6.705 95 HD3 PRO 11 3HD PRO 11 10.190 -12.812 -5.134 96 H ALA 12 H ALA 12 11.982 -12.504 -8.541 97 HA ALA 12 HA ALA 12 12.971 -13.968 -10.761 98 HB1 ALA 12 1HB ALA 12 12.680 -11.819 -11.990 99 HB2 ALA 12 2HB ALA 12 11.246 -12.350 -11.111 100 HB3 ALA 12 3HB ALA 12 12.253 -11.058 -10.457 101 H TYR 13 H TYR 13 14.207 -11.028 -9.160 102 HA TYR 13 HA TYR 13 16.559 -10.757 -10.595 103 HD1 TYR 13 HD2 TYR 13 16.465 -7.745 -10.411 104 HD2 TYR 13 HD1 TYR 13 18.910 -9.896 -7.674 105 HE1 TYR 13 HE2 TYR 13 18.357 -6.271 -10.953 106 HE2 TYR 13 HE1 TYR 13 20.810 -8.427 -8.207 107 HH TYR 13 HH TYR 13 20.603 -6.012 -10.760 108 HB2 TYR 13 2HB TYR 13 15.484 -9.247 -8.752 109 HB3 TYR 13 3HB TYR 13 16.508 -10.167 -7.655 110 H GLU 14 H GLU 14 16.021 -12.552 -7.573 111 HA GLU 14 HA GLU 14 18.640 -13.454 -7.208 112 HB2 GLU 14 2HB GLU 14 16.012 -14.711 -6.411 113 HB3 GLU 14 3HB GLU 14 17.578 -15.294 -5.867 114 HG2 GLU 14 2HG GLU 14 17.150 -12.435 -5.431 115 HG3 GLU 14 3HG GLU 14 16.033 -13.481 -4.556 116 H PHE 15 H PHE 15 16.077 -14.615 -9.275 117 HA PHE 15 HA PHE 15 17.196 -17.153 -9.860 118 HD1 PHE 15 HD1 PHE 15 14.433 -17.591 -8.882 119 HD2 PHE 15 HD2 PHE 15 15.477 -18.284 -12.950 120 HE1 PHE 15 HE1 PHE 15 13.527 -19.874 -8.723 121 HE2 PHE 15 HE2 PHE 15 14.572 -20.567 -12.797 122 HZ PHE 15 HZ PHE 15 13.595 -21.364 -10.682 123 HB2 PHE 15 2HB PHE 15 14.862 -15.721 -10.555 124 HB3 PHE 15 3HB PHE 15 15.659 -16.138 -12.068 125 H ILE 16 H ILE 16 17.363 -14.009 -11.492 126 HA ILE 16 HA ILE 16 18.817 -14.798 -13.739 127 HB ILE 16 HB ILE 16 18.979 -12.143 -12.307 128 HG12 ILE 16 2HG1 ILE 16 16.668 -12.793 -12.898 129 HG13 ILE 16 3HG1 ILE 16 17.224 -11.410 -13.835 130 HG21 ILE 16 1HG2 ILE 16 20.557 -11.695 -13.815 131 HG22 ILE 16 2HG2 ILE 16 20.231 -13.181 -14.706 132 HG23 ILE 16 3HG2 ILE 16 19.276 -11.733 -15.026 133 HD11 ILE 16 3HD1 ILE 16 17.561 -12.773 -15.764 134 HD12 ILE 16 1HD1 ILE 16 17.240 -14.242 -14.843 135 HD13 ILE 16 2HD1 ILE 16 15.942 -13.084 -15.138 136 H LYS 17 H LYS 17 19.814 -14.316 -10.457 137 HA LYS 17 HA LYS 17 22.564 -13.889 -10.844 138 HB2 LYS 17 2HB LYS 17 21.225 -15.316 -8.540 139 HB3 LYS 17 3HB LYS 17 22.827 -14.592 -8.526 140 HG2 LYS 17 2HG LYS 17 21.632 -12.395 -9.074 141 HG3 LYS 17 3HG LYS 17 20.157 -13.236 -8.589 142 HD2 LYS 17 2HD LYS 17 21.069 -13.661 -6.395 143 HD3 LYS 17 3HD LYS 17 22.625 -12.976 -6.871 144 HE2 LYS 17 2HE LYS 17 21.734 -10.797 -7.006 145 HE3 LYS 17 3HE LYS 17 20.074 -11.388 -6.964 146 HZ1 LYS 17 3HZ LYS 17 20.133 -11.032 -4.790 147 HZ2 LYS 17 1HZ LYS 17 21.797 -10.722 -4.804 148 HZ3 LYS 17 2HZ LYS 17 21.233 -12.309 -4.650 149 H GLY 18 H GLY 18 20.613 -16.785 -10.915 150 HA2 GLY 18 2HA GLY 18 23.045 -18.426 -11.173 151 HA3 GLY 18 3HA GLY 18 21.448 -19.036 -10.765 152 H PHE 19 H PHE 19 20.237 -17.322 -12.899 153 HA PHE 19 HA PHE 19 20.141 -19.234 -14.940 154 HD1 PHE 19 HD2 PHE 19 17.648 -19.374 -14.372 155 HD2 PHE 19 HD1 PHE 19 18.429 -16.940 -17.775 156 HE1 PHE 19 HE2 PHE 19 15.929 -20.598 -15.637 157 HE2 PHE 19 HE1 PHE 19 16.711 -18.159 -19.046 158 HZ PHE 19 HZ PHE 19 15.459 -19.991 -17.978 159 HB2 PHE 19 2HB PHE 19 18.741 -16.940 -14.320 160 HB3 PHE 19 3HB PHE 19 19.546 -16.507 -15.824 161 H GLY 20 H GLY 20 22.319 -16.592 -14.380 162 HA2 GLY 20 2HA GLY 20 24.088 -17.517 -16.437 163 HA3 GLY 20 3HA GLY 20 23.314 -15.998 -16.866 164 H LYS 21 H LYS 21 24.995 -17.478 -14.092 165 HA LYS 21 HA LYS 21 25.807 -15.056 -12.926 166 HB2 LYS 21 2HB LYS 21 27.390 -16.411 -11.640 167 HB3 LYS 21 3HB LYS 21 25.810 -17.180 -11.707 168 HG2 LYS 21 2HG LYS 21 27.673 -17.995 -13.824 169 HG3 LYS 21 3HG LYS 21 28.154 -18.439 -12.184 170 HD2 LYS 21 2HD LYS 21 25.371 -18.976 -12.503 171 HD3 LYS 21 3HD LYS 21 26.246 -19.695 -13.857 172 HE2 LYS 21 2HE LYS 21 26.183 -21.338 -12.156 173 HE3 LYS 21 3HE LYS 21 27.821 -20.687 -12.156 174 HZ1 LYS 21 3HZ LYS 21 27.497 -19.622 -10.171 175 HZ2 LYS 21 1HZ LYS 21 26.528 -20.989 -9.937 176 HZ3 LYS 21 2HZ LYS 21 25.819 -19.513 -10.357 177 H GLY 22 H GLY 22 26.938 -16.702 -15.700 178 HA2 GLY 22 2HA GLY 22 29.165 -14.787 -15.893 179 HA3 GLY 22 3HA GLY 22 29.462 -16.494 -16.191 180 H ALA 23 H ALA 23 26.447 -15.070 -17.150 181 HA ALA 23 HA ALA 23 26.797 -15.849 -19.855 182 HB1 ALA 23 1HB ALA 23 24.610 -15.662 -18.614 183 HB2 ALA 23 2HB ALA 23 24.729 -13.916 -18.836 184 HB3 ALA 23 3HB ALA 23 24.630 -14.978 -20.240 185 H ILE 24 H ILE 24 27.927 -14.845 -21.373 186 HA ILE 24 HA ILE 24 28.857 -12.141 -20.989 187 HB ILE 24 HB ILE 24 29.238 -13.891 -23.418 188 HG12 ILE 24 2HG1 ILE 24 30.039 -15.080 -21.448 189 HG13 ILE 24 3HG1 ILE 24 31.406 -14.517 -22.404 190 HG21 ILE 24 1HG2 ILE 24 30.157 -12.026 -24.224 191 HG22 ILE 24 2HG2 ILE 24 30.117 -11.233 -22.651 192 HG23 ILE 24 3HG2 ILE 24 31.461 -12.295 -23.068 193 HD11 ILE 24 3HD1 ILE 24 30.570 -13.796 -19.688 194 HD12 ILE 24 1HD1 ILE 24 32.175 -13.831 -20.417 195 HD13 ILE 24 2HD1 ILE 24 31.111 -12.452 -20.694 196 H LYS 25 H LYS 25 26.320 -13.732 -22.714 197 HA LYS 25 HA LYS 25 25.840 -11.858 -24.747 198 HB2 LYS 25 2HB LYS 25 23.562 -12.808 -24.816 199 HB3 LYS 25 3HB LYS 25 24.803 -14.053 -24.774 200 HG2 LYS 25 2HG LYS 25 23.520 -14.955 -23.180 201 HG3 LYS 25 3HG LYS 25 24.282 -13.757 -22.131 202 HD2 LYS 25 2HD LYS 25 22.076 -13.348 -21.672 203 HD3 LYS 25 3HD LYS 25 22.320 -12.235 -23.020 204 HE2 LYS 25 2HE LYS 25 20.565 -13.234 -23.972 205 HE3 LYS 25 3HE LYS 25 21.645 -14.597 -24.266 206 HZ1 LYS 25 3HZ LYS 25 20.779 -15.777 -22.525 207 HZ2 LYS 25 1HZ LYS 25 19.398 -14.939 -23.029 208 HZ3 LYS 25 2HZ LYS 25 20.267 -14.404 -21.680 209 H GLU 26 H GLU 26 24.997 -11.888 -21.357 210 HA GLU 26 HA GLU 26 23.052 -9.817 -21.472 211 HB2 GLU 26 2HB GLU 26 24.747 -10.786 -19.164 212 HB3 GLU 26 3HB GLU 26 23.381 -9.689 -19.017 213 HG2 GLU 26 2HG GLU 26 22.016 -11.546 -20.131 214 HG3 GLU 26 3HG GLU 26 23.384 -12.591 -19.752 215 H GLY 27 H GLY 27 26.529 -9.881 -21.268 216 HA2 GLY 27 2HA GLY 27 27.747 -7.942 -22.062 217 HA3 GLY 27 3HA GLY 27 26.515 -6.932 -21.320 218 H ASN 28 H ASN 28 28.925 -9.404 -20.441 219 HA ASN 28 HA ASN 28 29.108 -8.425 -17.743 220 HB2 ASN 28 2HB ASN 28 30.424 -10.593 -19.325 221 HB3 ASN 28 3HB ASN 28 31.196 -10.047 -17.840 222 HD21 ASN 28 1HD2 ASN 28 30.394 -12.602 -17.993 223 HD22 ASN 28 2HD2 ASN 28 29.008 -12.869 -16.996 224 H LYS 29 H LYS 29 29.554 -6.211 -18.972 225 HA LYS 29 HA LYS 29 32.290 -5.785 -19.738 226 HB2 LYS 29 2HB LYS 29 30.012 -3.871 -19.211 227 HB3 LYS 29 3HB LYS 29 31.603 -3.368 -19.768 228 HG2 LYS 29 2HG LYS 29 31.259 -4.121 -21.873 229 HG3 LYS 29 3HG LYS 29 30.249 -5.469 -21.345 230 HD2 LYS 29 2HD LYS 29 28.824 -3.976 -22.512 231 HD3 LYS 29 3HD LYS 29 28.470 -3.764 -20.796 232 HE2 LYS 29 2HE LYS 29 29.662 -1.728 -20.703 233 HE3 LYS 29 3HE LYS 29 30.420 -2.013 -22.270 234 HZ1 LYS 29 3HZ LYS 29 28.441 -1.558 -23.388 235 HZ2 LYS 29 1HZ LYS 29 28.500 -0.376 -22.179 236 HZ3 LYS 29 2HZ LYS 29 27.491 -1.721 -21.998 237 H ASP 30 H ASP 30 30.845 -6.232 -16.806 238 HA ASP 30 HA ASP 30 33.115 -5.069 -15.415 239 HB2 ASP 30 2HB ASP 30 31.781 -3.828 -13.818 240 HB3 ASP 30 3HB ASP 30 31.400 -3.270 -15.445 241 H LYS 31 H LYS 31 32.700 -7.708 -15.820 242 HA LYS 31 HA LYS 31 31.218 -8.944 -13.709 243 HB2 LYS 31 2HB LYS 31 32.106 -11.018 -14.522 244 HB3 LYS 31 3HB LYS 31 31.709 -10.020 -15.915 245 HG2 LYS 31 2HG LYS 31 34.368 -9.423 -15.333 246 HG3 LYS 31 3HG LYS 31 34.229 -11.173 -15.141 247 HD2 LYS 31 2HD LYS 31 33.461 -11.454 -17.355 248 HD3 LYS 31 3HD LYS 31 33.147 -9.728 -17.547 249 HE2 LYS 31 2HE LYS 31 35.455 -9.224 -17.638 250 HE3 LYS 31 3HE LYS 31 35.904 -10.828 -17.060 251 HZ1 LYS 31 3HZ LYS 31 36.278 -10.637 -19.426 252 HZ2 LYS 31 1HZ LYS 31 34.663 -10.205 -19.686 253 HZ3 LYS 31 2HZ LYS 31 35.045 -11.757 -19.132 254 H TRP 32 H TRP 32 34.400 -7.660 -14.033 255 HA TRP 32 HA TRP 32 35.714 -9.158 -12.035 256 HD1 TRP 32 HD1 TRP 32 35.884 -6.405 -15.409 257 HE1 TRP 32 HE1 TRP 32 35.313 -3.899 -15.536 258 HE3 TRP 32 HE3 TRP 32 36.520 -5.177 -10.487 259 HZ2 TRP 32 HZ2 TRP 32 35.154 -1.693 -13.782 260 HZ3 TRP 32 HZ3 TRP 32 36.139 -2.847 -9.794 261 HH2 TRP 32 HH2 TRP 32 35.471 -1.142 -11.410 262 HB2 TRP 32 2HB TRP 32 37.286 -7.182 -11.967 263 HB3 TRP 32 3HB TRP 32 37.046 -7.894 -13.560 264 H LYS 33 H LYS 33 33.315 -6.742 -11.856 265 HA LYS 33 HA LYS 33 33.907 -5.500 -9.422 266 HB2 LYS 33 2HB LYS 33 31.164 -6.152 -10.514 267 HB3 LYS 33 3HB LYS 33 31.547 -4.912 -9.326 268 HG2 LYS 33 2HG LYS 33 32.796 -4.850 -12.043 269 HG3 LYS 33 3HG LYS 33 31.164 -4.228 -11.781 270 HD2 LYS 33 2HD LYS 33 33.519 -3.354 -10.124 271 HD3 LYS 33 3HD LYS 33 33.061 -2.546 -11.625 272 HE2 LYS 33 2HE LYS 33 30.692 -2.491 -10.480 273 HE3 LYS 33 3HE LYS 33 31.645 -2.648 -9.004 274 HZ1 LYS 33 3HZ LYS 33 31.257 -0.367 -10.661 275 HZ2 LYS 33 1HZ LYS 33 32.905 -0.700 -10.470 276 HZ3 LYS 33 2HZ LYS 33 31.928 -0.464 -9.110 277 H ASN 34 H ASN 34 32.795 -8.686 -10.112 278 HA ASN 34 HA ASN 34 31.820 -9.156 -7.418 279 HB2 ASN 34 2HB ASN 34 31.633 -10.501 -9.998 280 HB3 ASN 34 3HB ASN 34 31.994 -11.621 -8.688 281 HD21 ASN 34 1HD2 ASN 34 29.873 -8.863 -9.381 282 HD22 ASN 34 2HD2 ASN 34 28.474 -9.530 -8.617 283 H ILE 35 H ILE 35 34.779 -8.747 -8.532 284 HA ILE 35 HA ILE 35 36.019 -11.082 -7.293 285 HB ILE 35 HB ILE 35 37.360 -8.742 -8.652 286 HG12 ILE 35 2HG1 ILE 35 36.633 -11.467 -9.752 287 HG13 ILE 35 3HG1 ILE 35 35.880 -9.941 -10.203 288 HG21 ILE 35 1HG2 ILE 35 38.744 -10.051 -7.060 289 HG22 ILE 35 2HG2 ILE 35 38.430 -11.489 -8.029 290 HG23 ILE 35 3HG2 ILE 35 39.317 -10.134 -8.725 291 HD11 ILE 35 3HD1 ILE 35 38.709 -10.805 -10.731 292 HD12 ILE 35 1HD1 ILE 35 37.422 -10.552 -11.909 293 HD13 ILE 35 2HD1 ILE 35 38.099 -9.179 -11.033 Start of MODEL 9 1 HA LYS 1 HA LYS 1 -7.198 -5.148 -2.965 2 H1 LYS 1 H LYS 1 -8.515 -5.413 -0.415 3 HB2 LYS 1 2HB LYS 1 -6.538 -3.107 -0.844 4 HB3 LYS 1 3HB LYS 1 -5.934 -3.178 -2.494 5 HG2 LYS 1 2HG LYS 1 -8.619 -3.010 -2.902 6 HG3 LYS 1 3HG LYS 1 -8.413 -2.040 -1.442 7 HD2 LYS 1 2HD LYS 1 -6.988 -0.531 -2.501 8 HD3 LYS 1 3HD LYS 1 -6.611 -1.657 -3.807 9 HE2 LYS 1 2HE LYS 1 -8.298 -0.893 -5.040 10 HE3 LYS 1 3HE LYS 1 -9.438 -1.105 -3.713 11 HZ1 LYS 1 3HZ LYS 1 -9.545 1.098 -3.644 12 HZ2 LYS 1 1HZ LYS 1 -8.227 1.284 -4.687 13 HZ3 LYS 1 2HZ LYS 1 -7.971 1.100 -3.026 14 H LYS 2 H LYS 2 -6.738 -7.337 -2.107 15 HA LYS 2 HA LYS 2 -5.279 -7.888 0.182 16 HB2 LYS 2 2HB LYS 2 -4.462 -9.905 -1.058 17 HB3 LYS 2 3HB LYS 2 -6.206 -9.685 -1.104 18 HG2 LYS 2 2HG LYS 2 -5.894 -10.131 -3.290 19 HG3 LYS 2 3HG LYS 2 -5.560 -8.399 -3.355 20 HD2 LYS 2 2HD LYS 2 -3.622 -8.989 -4.311 21 HD3 LYS 2 3HD LYS 2 -3.117 -9.451 -2.684 22 HE2 LYS 2 2HE LYS 2 -2.776 -11.488 -3.533 23 HE3 LYS 2 3HE LYS 2 -4.531 -11.649 -3.548 24 HZ1 LYS 2 3HZ LYS 2 -4.248 -10.444 -5.841 25 HZ2 LYS 2 1HZ LYS 2 -4.051 -12.119 -5.709 26 HZ3 LYS 2 2HZ LYS 2 -2.695 -11.110 -5.765 27 H TRP 3 H TRP 3 -4.247 -6.475 -2.818 28 HA TRP 3 HA TRP 3 -2.234 -5.725 -3.579 29 HD1 TRP 3 HD1 TRP 3 -2.412 -3.530 -4.028 30 HE1 TRP 3 HE1 TRP 3 -3.750 -1.366 -3.639 31 HE3 TRP 3 HE3 TRP 3 -2.822 -3.735 1.064 32 HZ2 TRP 3 HZ2 TRP 3 -4.835 0.065 -1.461 33 HZ3 TRP 3 HZ3 TRP 3 -4.026 -1.928 2.223 34 HH2 TRP 3 HH2 TRP 3 -5.010 -0.069 0.985 35 HB2 TRP 3 2HB TRP 3 -1.995 -5.305 -0.604 36 HB3 TRP 3 3HB TRP 3 -0.729 -4.795 -1.718 37 H GLY 4 H GLY 4 -1.905 -8.076 -4.173 38 HA2 GLY 4 2HA GLY 4 0.382 -9.201 -2.679 39 HA3 GLY 4 3HA GLY 4 -0.772 -10.163 -3.591 40 H TRP 5 H TRP 5 0.125 -7.241 -5.092 41 HA TRP 5 HA TRP 5 1.458 -8.680 -7.204 42 HD1 TRP 5 HD1 TRP 5 -0.918 -8.828 -7.639 43 HE1 TRP 5 HE1 TRP 5 -3.370 -8.130 -7.993 44 HE3 TRP 5 HE3 TRP 5 -0.315 -3.752 -7.706 45 HZ2 TRP 5 HZ2 TRP 5 -4.853 -5.743 -8.266 46 HZ3 TRP 5 HZ3 TRP 5 -2.301 -2.332 -8.019 47 HH2 TRP 5 HH2 TRP 5 -4.522 -3.309 -8.293 48 HB2 TRP 5 2HB TRP 5 1.159 -5.685 -6.958 49 HB3 TRP 5 3HB TRP 5 1.404 -6.629 -8.425 50 H LEU 6 H LEU 6 2.361 -6.104 -4.920 51 HA LEU 6 HA LEU 6 5.049 -5.904 -5.729 52 HG LEU 6 HG LEU 6 3.099 -6.150 -2.640 53 HB2 LEU 6 2HB LEU 6 5.413 -4.679 -3.700 54 HB3 LEU 6 3HB LEU 6 3.859 -4.213 -4.388 55 HD11 LEU 6 1HD1 LEU 6 4.844 -4.703 -0.820 56 HD12 LEU 6 2HD1 LEU 6 5.726 -5.736 -1.944 57 HD13 LEU 6 3HD1 LEU 6 4.475 -6.425 -0.909 58 HD21 LEU 6 3HD2 LEU 6 3.425 -3.188 -2.194 59 HD22 LEU 6 1HD2 LEU 6 2.485 -4.249 -1.145 60 HD23 LEU 6 2HD2 LEU 6 2.011 -4.030 -2.830 61 H ALA 7 H ALA 7 3.394 -8.140 -3.657 62 HA ALA 7 HA ALA 7 5.623 -9.115 -2.215 63 HB1 ALA 7 1HB ALA 7 3.680 -11.175 -2.604 64 HB2 ALA 7 2HB ALA 7 4.032 -10.237 -1.152 65 HB3 ALA 7 3HB ALA 7 2.857 -9.639 -2.323 66 H TRP 8 H TRP 8 4.416 -9.721 -5.414 67 HA TRP 8 HA TRP 8 6.077 -12.088 -5.755 68 HD1 TRP 8 HD1 TRP 8 3.307 -12.136 -4.752 69 HE1 TRP 8 HE1 TRP 8 1.928 -14.309 -4.758 70 HE3 TRP 8 HE3 TRP 8 4.203 -13.651 -9.551 71 HZ2 TRP 8 HZ2 TRP 8 1.303 -16.391 -6.560 72 HZ3 TRP 8 HZ3 TRP 8 3.178 -15.745 -10.338 73 HH2 TRP 8 HH2 TRP 8 1.759 -17.085 -8.871 74 HB2 TRP 8 2HB TRP 8 4.017 -10.700 -7.442 75 HB3 TRP 8 3HB TRP 8 5.121 -11.865 -8.169 76 H VAL 9 H VAL 9 6.119 -8.697 -6.450 77 HA VAL 9 HA VAL 9 8.076 -8.762 -8.519 78 HB VAL 9 HB VAL 9 7.328 -6.503 -6.657 79 HG11 VAL 9 1HG1 VAL 9 9.263 -6.733 -8.864 80 HG12 VAL 9 2HG1 VAL 9 8.215 -5.314 -8.912 81 HG13 VAL 9 3HG1 VAL 9 9.223 -5.619 -7.498 82 HG21 VAL 9 3HG2 VAL 9 6.026 -7.680 -8.972 83 HG22 VAL 9 1HG2 VAL 9 5.408 -6.523 -7.793 84 HG23 VAL 9 2HG2 VAL 9 6.340 -5.957 -9.179 85 H ASP 10 H ASP 10 8.201 -8.472 -5.013 86 HA ASP 10 HA ASP 10 10.819 -7.680 -4.635 87 HB2 ASP 10 2HB ASP 10 8.749 -8.845 -3.047 88 HB3 ASP 10 3HB ASP 10 10.257 -9.686 -2.698 89 HA PRO 11 HA PRO 11 12.266 -12.282 -4.749 90 HB2 PRO 11 2HB PRO 11 10.472 -14.142 -5.582 91 HB3 PRO 11 3HB PRO 11 10.645 -13.665 -3.889 92 HG2 PRO 11 2HG PRO 11 8.626 -12.774 -5.910 93 HG3 PRO 11 3HG PRO 11 8.387 -13.211 -4.209 94 HD2 PRO 11 2HD PRO 11 8.523 -10.640 -5.047 95 HD3 PRO 11 3HD PRO 11 9.102 -11.155 -3.450 96 H ALA 12 H ALA 12 10.425 -10.701 -7.126 97 HA ALA 12 HA ALA 12 11.121 -12.323 -9.372 98 HB1 ALA 12 1HB ALA 12 10.140 -10.626 -10.714 99 HB2 ALA 12 2HB ALA 12 9.159 -10.760 -9.255 100 HB3 ALA 12 3HB ALA 12 10.301 -9.428 -9.430 101 H TYR 13 H TYR 13 12.316 -9.204 -8.138 102 HA TYR 13 HA TYR 13 14.309 -8.830 -10.078 103 HD1 TYR 13 HD1 TYR 13 11.698 -7.530 -8.933 104 HD2 TYR 13 HD2 TYR 13 15.316 -5.303 -9.166 105 HE1 TYR 13 HE1 TYR 13 10.494 -5.702 -10.055 106 HE2 TYR 13 HE2 TYR 13 14.122 -3.469 -10.287 107 HH TYR 13 HH TYR 13 12.048 -3.187 -11.654 108 HB2 TYR 13 2HB TYR 13 13.914 -7.781 -7.290 109 HB3 TYR 13 3HB TYR 13 15.368 -7.387 -8.199 110 H GLU 14 H GLU 14 14.513 -10.209 -6.804 111 HA GLU 14 HA GLU 14 17.238 -10.770 -6.783 112 HB2 GLU 14 2HB GLU 14 14.976 -12.276 -5.460 113 HB3 GLU 14 3HB GLU 14 16.679 -12.494 -5.079 114 HG2 GLU 14 2HG GLU 14 15.328 -9.827 -4.856 115 HG3 GLU 14 3HG GLU 14 15.316 -11.002 -3.542 116 H PHE 15 H PHE 15 14.615 -12.407 -8.364 117 HA PHE 15 HA PHE 15 15.936 -14.881 -8.817 118 HD1 PHE 15 HD2 PHE 15 13.722 -15.399 -7.322 119 HD2 PHE 15 HD1 PHE 15 13.565 -16.544 -11.418 120 HE1 PHE 15 HE2 PHE 15 13.052 -17.671 -6.658 121 HE2 PHE 15 HE1 PHE 15 12.894 -18.818 -10.761 122 HZ PHE 15 HZ PHE 15 12.638 -19.384 -8.378 123 HB2 PHE 15 2HB PHE 15 13.388 -13.738 -9.391 124 HB3 PHE 15 3HB PHE 15 14.052 -14.369 -10.895 125 H ILE 16 H ILE 16 15.576 -11.923 -10.727 126 HA ILE 16 HA ILE 16 16.790 -12.806 -13.083 127 HB ILE 16 HB ILE 16 16.890 -10.017 -11.927 128 HG12 ILE 16 2HG1 ILE 16 14.591 -10.856 -12.086 129 HG13 ILE 16 3HG1 ILE 16 14.882 -9.599 -13.283 130 HG21 ILE 16 1HG2 ILE 16 17.348 -11.097 -14.697 131 HG22 ILE 16 2HG2 ILE 16 17.015 -9.397 -14.372 132 HG23 ILE 16 3HG2 ILE 16 18.455 -10.157 -13.696 133 HD11 ILE 16 3HD1 ILE 16 14.027 -12.311 -13.651 134 HD12 ILE 16 1HD1 ILE 16 14.078 -10.981 -14.807 135 HD13 ILE 16 2HD1 ILE 16 15.501 -11.995 -14.565 136 H LYS 17 H LYS 17 18.154 -11.919 -10.025 137 HA LYS 17 HA LYS 17 20.787 -11.337 -10.866 138 HB2 LYS 17 2HB LYS 17 19.748 -12.391 -8.230 139 HB3 LYS 17 3HB LYS 17 21.397 -11.838 -8.494 140 HG2 LYS 17 2HG LYS 17 20.049 -9.686 -9.369 141 HG3 LYS 17 3HG LYS 17 18.908 -10.297 -8.168 142 HD2 LYS 17 2HD LYS 17 20.179 -9.565 -6.492 143 HD3 LYS 17 3HD LYS 17 21.607 -10.366 -7.151 144 HE2 LYS 17 2HE LYS 17 20.819 -7.979 -8.636 145 HE3 LYS 17 3HE LYS 17 21.230 -7.651 -6.954 146 HZ1 LYS 17 3HZ LYS 17 22.953 -8.217 -9.120 147 HZ2 LYS 17 1HZ LYS 17 23.164 -9.383 -7.913 148 HZ3 LYS 17 2HZ LYS 17 23.348 -7.742 -7.545 149 H GLY 18 H GLY 18 19.108 -14.335 -10.168 150 HA2 GLY 18 2HA GLY 18 21.542 -15.909 -10.276 151 HA3 GLY 18 3HA GLY 18 19.907 -16.523 -10.073 152 H PHE 19 H PHE 19 18.837 -15.149 -12.388 153 HA PHE 19 HA PHE 19 19.207 -17.110 -14.331 154 HD1 PHE 19 HD1 PHE 19 18.168 -17.362 -16.594 155 HD2 PHE 19 HD2 PHE 19 15.596 -15.354 -13.861 156 HE1 PHE 19 HE1 PHE 19 16.335 -18.884 -17.206 157 HE2 PHE 19 HE2 PHE 19 13.759 -16.873 -14.468 158 HZ PHE 19 HZ PHE 19 14.127 -18.642 -16.142 159 HB2 PHE 19 2HB PHE 19 17.749 -14.628 -14.083 160 HB3 PHE 19 3HB PHE 19 18.421 -14.788 -15.702 161 H GLY 20 H GLY 20 20.906 -14.096 -13.778 162 HA2 GLY 20 2HA GLY 20 22.926 -14.937 -15.720 163 HA3 GLY 20 3HA GLY 20 22.176 -13.367 -15.968 164 H LYS 21 H LYS 21 23.492 -15.154 -13.174 165 HA LYS 21 HA LYS 21 24.370 -12.866 -11.805 166 HB2 LYS 21 2HB LYS 21 25.603 -14.384 -10.379 167 HB3 LYS 21 3HB LYS 21 24.035 -15.085 -10.755 168 HG2 LYS 21 2HG LYS 21 26.063 -15.895 -12.656 169 HG3 LYS 21 3HG LYS 21 26.497 -16.315 -10.998 170 HD2 LYS 21 2HD LYS 21 23.707 -16.870 -11.773 171 HD3 LYS 21 3HD LYS 21 24.936 -17.845 -12.582 172 HE2 LYS 21 2HE LYS 21 25.849 -18.490 -10.404 173 HE3 LYS 21 3HE LYS 21 24.621 -17.514 -9.599 174 HZ1 LYS 21 3HZ LYS 21 23.239 -19.170 -11.304 175 HZ2 LYS 21 1HZ LYS 21 23.351 -19.315 -9.622 176 HZ3 LYS 21 2HZ LYS 21 24.427 -20.159 -10.617 177 H GLY 22 H GLY 22 25.672 -14.498 -14.512 178 HA2 GLY 22 2HA GLY 22 28.301 -13.228 -14.109 179 HA3 GLY 22 3HA GLY 22 27.986 -14.580 -15.186 180 H ALA 23 H ALA 23 26.915 -14.192 -17.181 181 HA ALA 23 HA ALA 23 26.725 -13.062 -19.155 182 HB1 ALA 23 1HB ALA 23 25.376 -11.030 -19.071 183 HB2 ALA 23 2HB ALA 23 24.712 -12.278 -18.016 184 HB3 ALA 23 3HB ALA 23 25.620 -10.932 -17.327 185 H ILE 24 H ILE 24 29.292 -12.894 -17.986 186 HA ILE 24 HA ILE 24 30.208 -10.164 -18.199 187 HB ILE 24 HB ILE 24 31.792 -12.720 -17.912 188 HG12 ILE 24 2HG1 ILE 24 30.350 -12.340 -15.989 189 HG13 ILE 24 3HG1 ILE 24 32.023 -12.015 -15.549 190 HG21 ILE 24 1HG2 ILE 24 33.130 -10.951 -18.890 191 HG22 ILE 24 2HG2 ILE 24 32.634 -9.841 -17.613 192 HG23 ILE 24 3HG2 ILE 24 33.633 -11.242 -17.225 193 HD11 ILE 24 3HD1 ILE 24 31.592 -9.607 -15.836 194 HD12 ILE 24 1HD1 ILE 24 29.900 -9.977 -16.168 195 HD13 ILE 24 2HD1 ILE 24 30.590 -10.347 -14.587 196 H LYS 25 H LYS 25 29.915 -12.924 -20.257 197 HA LYS 25 HA LYS 25 31.881 -12.396 -22.167 198 HB2 LYS 25 2HB LYS 25 30.480 -13.709 -23.713 199 HB3 LYS 25 3HB LYS 25 30.638 -14.485 -22.142 200 HG2 LYS 25 2HG LYS 25 28.420 -14.733 -22.303 201 HG3 LYS 25 3HG LYS 25 28.372 -13.049 -21.775 202 HD2 LYS 25 2HD LYS 25 27.026 -12.980 -23.645 203 HD3 LYS 25 3HD LYS 25 28.593 -12.545 -24.330 204 HE2 LYS 25 2HE LYS 25 28.160 -15.418 -24.268 205 HE3 LYS 25 3HE LYS 25 26.924 -14.572 -25.198 206 HZ1 LYS 25 3HZ LYS 25 28.885 -13.403 -26.301 207 HZ2 LYS 25 1HZ LYS 25 28.596 -15.014 -26.728 208 HZ3 LYS 25 2HZ LYS 25 29.842 -14.637 -25.648 209 H GLU 26 H GLU 26 28.853 -10.832 -21.545 210 HA GLU 26 HA GLU 26 28.493 -9.610 -24.075 211 HB2 GLU 26 2HB GLU 26 27.539 -8.689 -21.358 212 HB3 GLU 26 3HB GLU 26 26.941 -8.107 -22.905 213 HG2 GLU 26 2HG GLU 26 26.626 -10.825 -23.113 214 HG3 GLU 26 3HG GLU 26 26.257 -10.510 -21.419 215 H GLY 27 H GLY 27 30.503 -8.888 -21.345 216 HA2 GLY 27 2HA GLY 27 32.436 -7.422 -22.221 217 HA3 GLY 27 3HA GLY 27 31.155 -6.246 -22.468 218 H ASN 28 H ASN 28 33.609 -6.467 -20.644 219 HA ASN 28 HA ASN 28 32.370 -5.192 -18.384 220 HB2 ASN 28 2HB ASN 28 33.090 -8.002 -18.251 221 HB3 ASN 28 3HB ASN 28 33.980 -7.054 -17.063 222 HD21 ASN 28 1HD2 ASN 28 30.864 -8.155 -18.105 223 HD22 ASN 28 2HD2 ASN 28 29.999 -7.700 -16.680 224 H LYS 29 H LYS 29 33.946 -4.254 -16.912 225 HA LYS 29 HA LYS 29 36.251 -3.295 -18.329 226 HB2 LYS 29 2HB LYS 29 34.992 -2.738 -15.674 227 HB3 LYS 29 3HB LYS 29 36.650 -2.221 -15.954 228 HG2 LYS 29 2HG LYS 29 35.698 -0.353 -16.728 229 HG3 LYS 29 3HG LYS 29 35.432 -1.299 -18.195 230 HD2 LYS 29 2HD LYS 29 33.394 -1.552 -16.065 231 HD3 LYS 29 3HD LYS 29 33.469 -0.002 -16.906 232 HE2 LYS 29 2HE LYS 29 33.632 -2.215 -18.757 233 HE3 LYS 29 3HE LYS 29 32.182 -2.322 -17.760 234 HZ1 LYS 29 3HZ LYS 29 32.965 0.154 -19.187 235 HZ2 LYS 29 1HZ LYS 29 31.473 -0.207 -18.475 236 HZ3 LYS 29 2HZ LYS 29 31.961 -1.020 -19.876 237 H ASP 30 H ASP 30 35.682 -6.064 -16.618 238 HA ASP 30 HA ASP 30 38.525 -6.577 -16.340 239 HB2 ASP 30 2HB ASP 30 37.946 -7.586 -13.981 240 HB3 ASP 30 3HB ASP 30 38.331 -5.875 -14.148 241 H LYS 31 H LYS 31 36.296 -7.536 -17.992 242 HA LYS 31 HA LYS 31 35.295 -10.007 -17.240 243 HB2 LYS 31 2HB LYS 31 34.937 -10.441 -19.580 244 HB3 LYS 31 3HB LYS 31 34.642 -8.734 -19.280 245 HG2 LYS 31 2HG LYS 31 37.295 -8.760 -19.951 246 HG3 LYS 31 3HG LYS 31 36.622 -10.023 -20.985 247 HD2 LYS 31 2HD LYS 31 35.094 -8.527 -21.985 248 HD3 LYS 31 3HD LYS 31 35.369 -7.298 -20.748 249 HE2 LYS 31 2HE LYS 31 37.638 -6.968 -21.555 250 HE3 LYS 31 3HE LYS 31 37.416 -8.242 -22.754 251 HZ1 LYS 31 3HZ LYS 31 35.362 -6.306 -22.976 252 HZ2 LYS 31 1HZ LYS 31 36.493 -6.797 -24.134 253 HZ3 LYS 31 2HZ LYS 31 36.874 -5.551 -23.056 254 H TRP 32 H TRP 32 38.483 -9.139 -18.360 255 HA TRP 32 HA TRP 32 39.386 -11.745 -19.002 256 HD1 TRP 32 HD1 TRP 32 39.792 -7.414 -18.757 257 HE1 TRP 32 HE1 TRP 32 40.862 -5.935 -16.942 258 HE3 TRP 32 HE3 TRP 32 42.969 -10.841 -16.684 259 HZ2 TRP 32 HZ2 TRP 32 42.796 -6.187 -14.902 260 HZ3 TRP 32 HZ3 TRP 32 44.396 -10.142 -14.805 261 HH2 TRP 32 HH2 TRP 32 44.310 -7.862 -13.935 262 HB2 TRP 32 2HB TRP 32 41.651 -10.763 -18.850 263 HB3 TRP 32 3HB TRP 32 40.558 -9.771 -19.811 264 H LYS 33 H LYS 33 39.132 -9.961 -16.016 265 HA LYS 33 HA LYS 33 40.856 -11.618 -14.474 266 HB2 LYS 33 2HB LYS 33 38.563 -9.916 -13.487 267 HB3 LYS 33 3HB LYS 33 39.936 -10.485 -12.547 268 HG2 LYS 33 2HG LYS 33 41.275 -9.156 -14.413 269 HG3 LYS 33 3HG LYS 33 39.755 -8.263 -14.496 270 HD2 LYS 33 2HD LYS 33 41.269 -8.779 -11.939 271 HD3 LYS 33 3HD LYS 33 41.441 -7.313 -12.907 272 HE2 LYS 33 2HE LYS 33 39.394 -6.517 -12.314 273 HE3 LYS 33 3HE LYS 33 38.691 -8.127 -12.164 274 HZ1 LYS 33 3HZ LYS 33 39.908 -8.406 -10.081 275 HZ2 LYS 33 1HZ LYS 33 38.868 -7.073 -10.014 276 HZ3 LYS 33 2HZ LYS 33 40.530 -6.839 -10.220 277 H ASN 34 H ASN 34 37.576 -11.879 -15.528 278 HA ASN 34 HA ASN 34 36.897 -13.908 -13.566 279 HB2 ASN 34 2HB ASN 34 35.450 -12.253 -15.492 280 HB3 ASN 34 3HB ASN 34 34.890 -13.923 -15.472 281 HD21 ASN 34 1HD2 ASN 34 35.841 -11.384 -13.180 282 HD22 ASN 34 2HD2 ASN 34 34.553 -11.673 -12.066 283 H ILE 35 H ILE 35 38.853 -13.992 -16.090 284 HA ILE 35 HA ILE 35 37.846 -16.429 -17.333 285 HB ILE 35 HB ILE 35 40.435 -15.007 -17.938 286 HG12 ILE 35 2HG1 ILE 35 38.610 -13.424 -18.230 287 HG13 ILE 35 3HG1 ILE 35 39.212 -13.932 -19.804 288 HG21 ILE 35 1HG2 ILE 35 40.274 -16.157 -20.078 289 HG22 ILE 35 2HG2 ILE 35 40.262 -17.310 -18.745 290 HG23 ILE 35 3HG2 ILE 35 38.759 -16.905 -19.574 291 HD11 ILE 35 3HD1 ILE 35 36.569 -14.053 -18.777 292 HD12 ILE 35 1HD1 ILE 35 37.156 -14.485 -20.382 293 HD13 ILE 35 2HD1 ILE 35 37.127 -15.694 -19.099 Start of MODEL 10 1 HA LYS 1 HA LYS 1 3.254 1.883 -0.921 2 H1 LYS 1 H LYS 1 3.387 1.600 1.547 3 HB2 LYS 1 2HB LYS 1 5.520 1.335 0.586 4 HB3 LYS 1 3HB LYS 1 5.657 0.239 -0.782 5 HG2 LYS 1 2HG LYS 1 4.893 2.739 -1.826 6 HG3 LYS 1 3HG LYS 1 6.180 3.041 -0.656 7 HD2 LYS 1 2HD LYS 1 7.705 1.706 -1.809 8 HD3 LYS 1 3HD LYS 1 6.436 0.857 -2.694 9 HE2 LYS 1 2HE LYS 1 7.205 2.248 -4.337 10 HE3 LYS 1 3HE LYS 1 5.951 3.269 -3.636 11 HZ1 LYS 1 3HZ LYS 1 7.548 4.780 -3.411 12 HZ2 LYS 1 1HZ LYS 1 8.784 3.666 -3.716 13 HZ3 LYS 1 2HZ LYS 1 8.162 3.832 -2.152 14 H LYS 2 H LYS 2 3.979 0.655 -2.954 15 HA LYS 2 HA LYS 2 2.230 -1.560 -3.300 16 HB2 LYS 2 2HB LYS 2 3.137 -1.644 -5.588 17 HB3 LYS 2 3HB LYS 2 2.669 -0.013 -5.126 18 HG2 LYS 2 2HG LYS 2 5.234 0.093 -4.424 19 HG3 LYS 2 3HG LYS 2 5.347 -1.135 -5.687 20 HD2 LYS 2 2HD LYS 2 3.682 0.884 -6.707 21 HD3 LYS 2 3HD LYS 2 5.038 1.711 -5.936 22 HE2 LYS 2 2HE LYS 2 5.697 1.327 -8.170 23 HE3 LYS 2 3HE LYS 2 6.551 0.127 -7.201 24 HZ1 LYS 2 3HZ LYS 2 5.318 -0.552 -9.380 25 HZ2 LYS 2 1HZ LYS 2 3.959 -0.592 -8.372 26 HZ3 LYS 2 2HZ LYS 2 5.294 -1.573 -8.031 27 H TRP 3 H TRP 3 5.632 -1.227 -2.629 28 HA TRP 3 HA TRP 3 7.281 -2.734 -2.199 29 HD1 TRP 3 HD1 TRP 3 7.932 -2.388 -0.238 30 HE1 TRP 3 HE1 TRP 3 7.558 -1.709 2.216 31 HE3 TRP 3 HE3 TRP 3 3.523 -4.831 0.617 32 HZ2 TRP 3 HZ2 TRP 3 5.647 -2.151 4.246 33 HZ3 TRP 3 HZ3 TRP 3 2.489 -4.652 2.842 34 HH2 TRP 3 HH2 TRP 3 3.530 -3.340 4.618 35 HB2 TRP 3 2HB TRP 3 4.813 -4.281 -1.458 36 HB3 TRP 3 3HB TRP 3 6.406 -5.024 -1.349 37 H GLY 4 H GLY 4 6.941 -2.439 -4.833 38 HA2 GLY 4 2HA GLY 4 6.622 -5.073 -6.054 39 HA3 GLY 4 3HA GLY 4 6.811 -3.547 -6.906 40 H TRP 5 H TRP 5 9.002 -4.108 -4.335 41 HA TRP 5 HA TRP 5 11.213 -4.183 -6.180 42 HD1 TRP 5 HD1 TRP 5 10.592 -1.954 -5.955 43 HE1 TRP 5 HE1 TRP 5 10.299 0.400 -4.957 44 HE3 TRP 5 HE3 TRP 5 12.082 -2.914 -1.160 45 HZ2 TRP 5 HZ2 TRP 5 10.654 1.681 -2.467 46 HZ3 TRP 5 HZ3 TRP 5 12.077 -1.069 0.468 47 HH2 TRP 5 HH2 TRP 5 11.377 1.180 -0.174 48 HB2 TRP 5 2HB TRP 5 11.255 -4.418 -3.164 49 HB3 TRP 5 3HB TRP 5 12.620 -4.037 -4.209 50 H LEU 6 H LEU 6 10.203 -6.305 -3.491 51 HA LEU 6 HA LEU 6 11.949 -8.411 -4.174 52 HG LEU 6 HG LEU 6 8.456 -8.044 -3.226 53 HB2 LEU 6 2HB LEU 6 10.705 -9.741 -2.601 54 HB3 LEU 6 3HB LEU 6 10.942 -8.120 -1.951 55 HD11 LEU 6 1HD1 LEU 6 8.910 -10.636 -1.782 56 HD12 LEU 6 2HD1 LEU 6 8.203 -10.370 -3.376 57 HD13 LEU 6 3HD1 LEU 6 7.310 -9.908 -1.927 58 HD21 LEU 6 3HD2 LEU 6 9.276 -6.949 -1.104 59 HD22 LEU 6 1HD2 LEU 6 8.936 -8.476 -0.288 60 HD23 LEU 6 2HD2 LEU 6 7.628 -7.579 -1.059 61 H ALA 7 H ALA 7 8.818 -7.492 -5.334 62 HA ALA 7 HA ALA 7 8.027 -9.988 -6.419 63 HB1 ALA 7 1HB ALA 7 6.153 -8.823 -6.639 64 HB2 ALA 7 2HB ALA 7 7.012 -7.310 -6.345 65 HB3 ALA 7 3HB ALA 7 6.890 -7.951 -7.983 66 H TRP 8 H TRP 8 10.099 -7.421 -7.551 67 HA TRP 8 HA TRP 8 10.223 -8.520 -10.242 68 HD1 TRP 8 HD1 TRP 8 8.264 -6.764 -9.431 69 HE1 TRP 8 HE1 TRP 8 6.916 -5.149 -10.914 70 HE3 TRP 8 HE3 TRP 8 12.128 -4.558 -11.948 71 HZ2 TRP 8 HZ2 TRP 8 7.424 -3.199 -12.890 72 HZ3 TRP 8 HZ3 TRP 8 11.612 -2.828 -13.619 73 HH2 TRP 8 HH2 TRP 8 9.308 -2.164 -14.079 74 HB2 TRP 8 2HB TRP 8 11.416 -6.092 -8.920 75 HB3 TRP 8 3HB TRP 8 11.945 -6.622 -10.514 76 H VAL 9 H VAL 9 12.018 -8.566 -7.277 77 HA VAL 9 HA VAL 9 14.451 -9.549 -8.485 78 HB VAL 9 HB VAL 9 13.649 -9.393 -5.576 79 HG11 VAL 9 1HG1 VAL 9 15.934 -10.582 -6.921 80 HG12 VAL 9 2HG1 VAL 9 16.404 -9.367 -5.730 81 HG13 VAL 9 3HG1 VAL 9 15.401 -10.736 -5.247 82 HG21 VAL 9 3HG2 VAL 9 15.592 -7.602 -7.001 83 HG22 VAL 9 1HG2 VAL 9 13.867 -7.237 -6.936 84 HG23 VAL 9 2HG2 VAL 9 14.800 -7.357 -5.444 85 H ASP 10 H ASP 10 11.560 -10.867 -7.105 86 HA ASP 10 HA ASP 10 12.374 -13.388 -6.302 87 HB2 ASP 10 2HB ASP 10 9.868 -12.120 -7.065 88 HB3 ASP 10 3HB ASP 10 9.908 -13.823 -7.513 89 HA PRO 11 HA PRO 11 11.668 -15.043 -10.779 90 HB2 PRO 11 2HB PRO 11 11.249 -13.215 -12.742 91 HB3 PRO 11 3HB PRO 11 9.936 -13.926 -11.795 92 HG2 PRO 11 2HG PRO 11 11.285 -11.273 -11.471 93 HG3 PRO 11 3HG PRO 11 9.559 -11.669 -11.381 94 HD2 PRO 11 2HD PRO 11 11.089 -11.316 -9.175 95 HD3 PRO 11 3HD PRO 11 9.720 -12.447 -9.218 96 H ALA 12 H ALA 12 13.479 -12.169 -10.119 97 HA ALA 12 HA ALA 12 15.316 -12.364 -12.288 98 HB1 ALA 12 1HB ALA 12 14.963 -10.262 -11.119 99 HB2 ALA 12 2HB ALA 12 15.597 -10.965 -9.631 100 HB3 ALA 12 3HB ALA 12 16.657 -10.747 -11.024 101 H TYR 13 H TYR 13 15.761 -13.010 -8.804 102 HA TYR 13 HA TYR 13 18.265 -14.199 -8.989 103 HD1 TYR 13 HD2 TYR 13 19.039 -12.742 -6.597 104 HD2 TYR 13 HD1 TYR 13 17.970 -16.839 -6.176 105 HE1 TYR 13 HE2 TYR 13 21.125 -13.153 -5.360 106 HE2 TYR 13 HE1 TYR 13 20.052 -17.261 -4.936 107 HH TYR 13 HH TYR 13 22.242 -14.630 -4.074 108 HB2 TYR 13 2HB TYR 13 16.695 -13.544 -6.927 109 HB3 TYR 13 3HB TYR 13 16.369 -15.274 -6.963 110 H GLU 14 H GLU 14 15.050 -15.667 -9.203 111 HA GLU 14 HA GLU 14 15.859 -18.347 -9.310 112 HB2 GLU 14 2HB GLU 14 13.440 -16.933 -10.423 113 HB3 GLU 14 3HB GLU 14 13.653 -18.674 -10.538 114 HG2 GLU 14 2HG GLU 14 14.108 -18.127 -7.868 115 HG3 GLU 14 3HG GLU 14 12.781 -17.053 -8.305 116 H PHE 15 H PHE 15 15.715 -15.863 -11.770 117 HA PHE 15 HA PHE 15 16.047 -17.611 -13.996 118 HD1 PHE 15 HD1 PHE 15 16.958 -16.888 -16.422 119 HD2 PHE 15 HD2 PHE 15 13.682 -14.624 -14.919 120 HE1 PHE 15 HE1 PHE 15 15.729 -17.285 -18.515 121 HE2 PHE 15 HE2 PHE 15 12.447 -15.018 -17.010 122 HZ PHE 15 HZ PHE 15 13.469 -16.351 -18.811 123 HB2 PHE 15 2HB PHE 15 15.539 -14.872 -13.616 124 HB3 PHE 15 3HB PHE 15 17.062 -14.955 -14.495 125 H ILE 16 H ILE 16 18.279 -15.462 -12.245 126 HA ILE 16 HA ILE 16 20.582 -16.180 -13.704 127 HB ILE 16 HB ILE 16 20.519 -15.216 -10.845 128 HG12 ILE 16 2HG1 ILE 16 19.164 -13.724 -12.210 129 HG13 ILE 16 3HG1 ILE 16 20.687 -12.939 -11.805 130 HG21 ILE 16 1HG2 ILE 16 22.702 -15.903 -11.386 131 HG22 ILE 16 2HG2 ILE 16 22.605 -15.215 -13.007 132 HG23 ILE 16 3HG2 ILE 16 22.701 -14.153 -11.602 133 HD11 ILE 16 3HD1 ILE 16 19.921 -14.183 -14.431 134 HD12 ILE 16 1HD1 ILE 16 20.176 -12.473 -14.084 135 HD13 ILE 16 2HD1 ILE 16 21.538 -13.594 -14.047 136 H LYS 17 H LYS 17 18.905 -17.702 -11.084 137 HA LYS 17 HA LYS 17 20.904 -19.251 -9.939 138 HB2 LYS 17 2HB LYS 17 17.958 -19.668 -10.325 139 HB3 LYS 17 3HB LYS 17 18.943 -20.932 -9.601 140 HG2 LYS 17 2HG LYS 17 19.600 -18.523 -8.290 141 HG3 LYS 17 3HG LYS 17 17.840 -18.602 -8.392 142 HD2 LYS 17 2HD LYS 17 18.183 -21.060 -7.593 143 HD3 LYS 17 3HD LYS 17 19.750 -20.464 -7.041 144 HE2 LYS 17 2HE LYS 17 18.840 -19.210 -5.390 145 HE3 LYS 17 3HE LYS 17 17.407 -18.813 -6.337 146 HZ1 LYS 17 3HZ LYS 17 16.948 -21.366 -5.948 147 HZ2 LYS 17 1HZ LYS 17 16.484 -20.196 -4.817 148 HZ3 LYS 17 2HZ LYS 17 17.899 -21.091 -4.577 149 H GLY 18 H GLY 18 19.368 -19.537 -13.034 150 HA2 GLY 18 2HA GLY 18 20.970 -21.967 -13.538 151 HA3 GLY 18 3HA GLY 18 19.319 -21.821 -14.123 152 H PHE 19 H PHE 19 19.076 -19.492 -15.277 153 HA PHE 19 HA PHE 19 20.336 -19.713 -17.728 154 HD1 PHE 19 HD2 PHE 19 20.664 -15.613 -17.054 155 HD2 PHE 19 HD1 PHE 19 18.814 -18.169 -19.912 156 HE1 PHE 19 HE2 PHE 19 21.362 -14.094 -18.859 157 HE2 PHE 19 HE1 PHE 19 19.510 -16.654 -21.722 158 HZ PHE 19 HZ PHE 19 20.784 -14.613 -21.197 159 HB2 PHE 19 2HB PHE 19 18.349 -18.399 -17.564 160 HB3 PHE 19 3HB PHE 19 19.080 -17.324 -16.377 161 H GLY 20 H GLY 20 21.432 -18.165 -14.809 162 HA2 GLY 20 2HA GLY 20 23.999 -17.621 -16.130 163 HA3 GLY 20 3HA GLY 20 23.208 -16.316 -15.258 164 H LYS 21 H LYS 21 23.806 -19.771 -14.600 165 HA LYS 21 HA LYS 21 24.131 -19.430 -11.830 166 HB2 LYS 21 2HB LYS 21 25.017 -21.699 -11.826 167 HB3 LYS 21 3HB LYS 21 23.613 -21.595 -12.879 168 HG2 LYS 21 2HG LYS 21 26.234 -21.185 -14.166 169 HG3 LYS 21 3HG LYS 21 25.897 -22.811 -13.568 170 HD2 LYS 21 2HD LYS 21 23.554 -22.189 -14.810 171 HD3 LYS 21 3HD LYS 21 24.725 -21.345 -15.825 172 HE2 LYS 21 2HE LYS 21 25.909 -23.795 -15.396 173 HE3 LYS 21 3HE LYS 21 24.199 -24.198 -15.541 174 HZ1 LYS 21 3HZ LYS 21 24.635 -24.166 -17.723 175 HZ2 LYS 21 1HZ LYS 21 26.046 -23.249 -17.549 176 HZ3 LYS 21 2HZ LYS 21 24.539 -22.483 -17.576 177 H GLY 22 H GLY 22 26.238 -18.767 -14.439 178 HA2 GLY 22 2HA GLY 22 28.153 -17.438 -12.977 179 HA3 GLY 22 3HA GLY 22 28.716 -19.102 -13.054 180 H ALA 23 H ALA 23 27.971 -16.231 -14.919 181 HA ALA 23 HA ALA 23 29.976 -16.925 -16.860 182 HB1 ALA 23 1HB ALA 23 28.498 -16.854 -18.814 183 HB2 ALA 23 2HB ALA 23 28.107 -18.203 -17.747 184 HB3 ALA 23 3HB ALA 23 27.098 -16.756 -17.746 185 H ILE 24 H ILE 24 29.268 -14.778 -14.941 186 HA ILE 24 HA ILE 24 28.680 -12.492 -16.636 187 HB ILE 24 HB ILE 24 29.347 -12.566 -13.691 188 HG12 ILE 24 2HG1 ILE 24 27.283 -13.802 -14.226 189 HG13 ILE 24 3HG1 ILE 24 26.940 -12.330 -13.325 190 HG21 ILE 24 1HG2 ILE 24 28.513 -10.393 -15.565 191 HG22 ILE 24 2HG2 ILE 24 28.069 -10.312 -13.861 192 HG23 ILE 24 3HG2 ILE 24 29.768 -10.385 -14.326 193 HD11 ILE 24 3HD1 ILE 24 26.853 -11.771 -16.123 194 HD12 ILE 24 1HD1 ILE 24 25.836 -13.165 -15.763 195 HD13 ILE 24 2HD1 ILE 24 25.574 -11.640 -14.916 196 H LYS 25 H LYS 25 31.412 -14.095 -15.255 197 HA LYS 25 HA LYS 25 33.232 -11.906 -15.367 198 HB2 LYS 25 2HB LYS 25 34.977 -13.678 -15.153 199 HB3 LYS 25 3HB LYS 25 33.730 -13.756 -13.916 200 HG2 LYS 25 2HG LYS 25 33.178 -15.384 -16.285 201 HG3 LYS 25 3HG LYS 25 34.614 -15.867 -15.378 202 HD2 LYS 25 2HD LYS 25 32.178 -15.271 -13.804 203 HD3 LYS 25 3HD LYS 25 32.151 -16.737 -14.786 204 HE2 LYS 25 2HE LYS 25 34.594 -16.941 -13.642 205 HE3 LYS 25 3HE LYS 25 33.711 -16.094 -12.372 206 HZ1 LYS 25 3HZ LYS 25 31.953 -17.921 -12.792 207 HZ2 LYS 25 1HZ LYS 25 33.321 -18.289 -11.868 208 HZ3 LYS 25 2HZ LYS 25 33.237 -18.776 -13.486 209 H GLU 26 H GLU 26 32.073 -14.235 -17.667 210 HA GLU 26 HA GLU 26 34.141 -14.126 -19.556 211 HB2 GLU 26 2HB GLU 26 31.192 -14.465 -20.123 212 HB3 GLU 26 3HB GLU 26 32.525 -14.974 -21.150 213 HG2 GLU 26 2HG GLU 26 33.217 -16.393 -19.083 214 HG3 GLU 26 3HG GLU 26 31.536 -16.166 -18.604 215 H GLY 27 H GLY 27 31.609 -11.880 -18.781 216 HA2 GLY 27 2HA GLY 27 32.747 -9.690 -20.010 217 HA3 GLY 27 3HA GLY 27 31.690 -10.402 -21.221 218 H ASN 28 H ASN 28 29.451 -10.362 -20.919 219 HA ASN 28 HA ASN 28 27.507 -9.305 -20.365 220 HB2 ASN 28 2HB ASN 28 28.148 -10.859 -18.325 221 HB3 ASN 28 3HB ASN 28 28.328 -9.319 -17.490 222 HD21 ASN 28 1HD2 ASN 28 26.177 -11.682 -18.593 223 HD22 ASN 28 2HD2 ASN 28 24.702 -10.876 -18.191 224 H LYS 29 H LYS 29 28.022 -7.299 -21.322 225 HA LYS 29 HA LYS 29 29.421 -5.233 -19.994 226 HB2 LYS 29 2HB LYS 29 27.549 -5.318 -22.340 227 HB3 LYS 29 3HB LYS 29 28.109 -3.777 -21.703 228 HG2 LYS 29 2HG LYS 29 30.184 -4.036 -22.530 229 HG3 LYS 29 3HG LYS 29 30.209 -5.773 -22.215 230 HD2 LYS 29 2HD LYS 29 30.222 -5.597 -24.553 231 HD3 LYS 29 3HD LYS 29 28.544 -5.965 -24.147 232 HE2 LYS 29 2HE LYS 29 28.018 -4.194 -25.403 233 HE3 LYS 29 3HE LYS 29 28.611 -3.219 -24.058 234 HZ1 LYS 29 3HZ LYS 29 29.578 -2.630 -26.247 235 HZ2 LYS 29 1HZ LYS 29 30.316 -4.152 -26.301 236 HZ3 LYS 29 2HZ LYS 29 30.737 -3.051 -25.088 237 H ASP 30 H ASP 30 25.947 -5.870 -20.390 238 HA ASP 30 HA ASP 30 25.289 -3.696 -18.576 239 HB2 ASP 30 2HB ASP 30 23.699 -5.546 -20.321 240 HB3 ASP 30 3HB ASP 30 22.901 -4.658 -19.027 241 H LYS 31 H LYS 31 26.792 -5.475 -17.225 242 HA LYS 31 HA LYS 31 25.089 -7.360 -15.827 243 HB2 LYS 31 2HB LYS 31 27.088 -8.055 -14.676 244 HB3 LYS 31 3HB LYS 31 27.454 -7.897 -16.389 245 HG2 LYS 31 2HG LYS 31 29.271 -6.845 -15.546 246 HG3 LYS 31 3HG LYS 31 28.176 -5.462 -15.618 247 HD2 LYS 31 2HD LYS 31 27.565 -6.470 -13.178 248 HD3 LYS 31 3HD LYS 31 29.276 -6.891 -13.291 249 HE2 LYS 31 2HE LYS 31 29.847 -4.580 -13.732 250 HE3 LYS 31 3HE LYS 31 28.141 -4.133 -13.746 251 HZ1 LYS 31 3HZ LYS 31 29.106 -5.470 -11.349 252 HZ2 LYS 31 1HZ LYS 31 28.016 -4.187 -11.510 253 HZ3 LYS 31 2HZ LYS 31 29.680 -3.899 -11.606 254 H TRP 32 H TRP 32 26.273 -4.143 -15.422 255 HA TRP 32 HA TRP 32 26.053 -3.939 -12.611 256 HD1 TRP 32 HD1 TRP 32 27.467 -2.351 -16.423 257 HE1 TRP 32 HE1 TRP 32 26.182 -1.124 -18.286 258 HE3 TRP 32 HE3 TRP 32 23.564 -0.543 -13.661 259 HZ2 TRP 32 HZ2 TRP 32 23.826 0.408 -18.549 260 HZ3 TRP 32 HZ3 TRP 32 21.837 0.795 -14.794 261 HH2 TRP 32 HH2 TRP 32 21.968 1.260 -17.187 262 HB2 TRP 32 2HB TRP 32 25.925 -1.465 -13.067 263 HB3 TRP 32 3HB TRP 32 27.314 -2.278 -13.784 264 H LYS 33 H LYS 33 23.723 -3.898 -15.165 265 HA LYS 33 HA LYS 33 21.639 -2.512 -13.862 266 HB2 LYS 33 2HB LYS 33 21.250 -4.737 -15.858 267 HB3 LYS 33 3HB LYS 33 20.207 -3.352 -15.563 268 HG2 LYS 33 2HG LYS 33 22.033 -1.885 -16.412 269 HG3 LYS 33 3HG LYS 33 22.926 -3.342 -16.853 270 HD2 LYS 33 2HD LYS 33 21.764 -2.528 -18.795 271 HD3 LYS 33 3HD LYS 33 20.998 -4.027 -18.265 272 HE2 LYS 33 2HE LYS 33 19.047 -2.982 -18.102 273 HE3 LYS 33 3HE LYS 33 19.735 -1.864 -16.925 274 HZ1 LYS 33 3HZ LYS 33 18.832 -1.230 -19.427 275 HZ2 LYS 33 1HZ LYS 33 20.516 -1.217 -19.591 276 HZ3 LYS 33 2HZ LYS 33 19.772 -0.244 -18.424 277 H ASN 34 H ASN 34 22.873 -5.725 -13.537 278 HA ASN 34 HA ASN 34 20.515 -6.628 -12.072 279 HB2 ASN 34 2HB ASN 34 22.764 -7.923 -13.440 280 HB3 ASN 34 3HB ASN 34 22.358 -8.663 -11.895 281 HD21 ASN 34 1HD2 ASN 34 20.772 -7.419 -14.813 282 HD22 ASN 34 2HD2 ASN 34 19.595 -8.679 -14.916 283 H ILE 35 H ILE 35 23.114 -4.815 -11.362 284 HA ILE 35 HA ILE 35 24.311 -4.317 -9.485 285 HB ILE 35 HB ILE 35 21.872 -5.451 -8.109 286 HG12 ILE 35 2HG1 ILE 35 21.354 -3.667 -9.748 287 HG13 ILE 35 3HG1 ILE 35 21.034 -3.165 -8.092 288 HG21 ILE 35 1HG2 ILE 35 22.760 -3.493 -6.489 289 HG22 ILE 35 2HG2 ILE 35 23.212 -5.188 -6.315 290 HG23 ILE 35 3HG2 ILE 35 24.290 -4.069 -7.148 291 HD11 ILE 35 3HD1 ILE 35 23.707 -2.458 -8.772 292 HD12 ILE 35 1HD1 ILE 35 22.614 -1.880 -10.028 293 HD13 ILE 35 2HD1 ILE 35 22.351 -1.414 -8.347 Start of MODEL 11 1 HA LYS 1 HA LYS 1 -6.744 -5.088 -1.023 2 H1 LYS 1 H LYS 1 -6.640 -4.903 1.458 3 HB2 LYS 1 2HB LYS 1 -4.658 -3.862 0.523 4 HB3 LYS 1 3HB LYS 1 -3.992 -4.437 -1.000 5 HG2 LYS 1 2HG LYS 1 -6.027 -3.251 -2.065 6 HG3 LYS 1 3HG LYS 1 -6.122 -2.398 -0.522 7 HD2 LYS 1 2HD LYS 1 -3.687 -1.809 -0.834 8 HD3 LYS 1 3HD LYS 1 -3.832 -2.435 -2.478 9 HE2 LYS 1 2HE LYS 1 -4.142 -0.074 -2.576 10 HE3 LYS 1 3HE LYS 1 -5.715 -0.827 -2.834 11 HZ1 LYS 1 3HZ LYS 1 -6.482 -0.134 -0.808 12 HZ2 LYS 1 1HZ LYS 1 -5.455 1.155 -1.190 13 HZ3 LYS 1 2HZ LYS 1 -4.943 -0.043 -0.112 14 H LYS 2 H LYS 2 -5.234 -5.670 -2.893 15 HA LYS 2 HA LYS 2 -4.798 -8.495 -2.816 16 HB2 LYS 2 2HB LYS 2 -4.059 -6.502 -4.966 17 HB3 LYS 2 3HB LYS 2 -4.125 -8.249 -5.154 18 HG2 LYS 2 2HG LYS 2 -6.476 -6.486 -4.497 19 HG3 LYS 2 3HG LYS 2 -6.088 -7.120 -6.097 20 HD2 LYS 2 2HD LYS 2 -6.264 -9.418 -5.166 21 HD3 LYS 2 3HD LYS 2 -6.792 -8.716 -3.635 22 HE2 LYS 2 2HE LYS 2 -8.865 -8.892 -4.448 23 HE3 LYS 2 3HE LYS 2 -8.451 -7.516 -5.470 24 HZ1 LYS 2 3HZ LYS 2 -7.456 -9.657 -6.822 25 HZ2 LYS 2 1HZ LYS 2 -8.908 -8.859 -7.164 26 HZ3 LYS 2 2HZ LYS 2 -8.913 -10.245 -6.196 27 H TRP 3 H TRP 3 -2.627 -5.716 -3.340 28 HA TRP 3 HA TRP 3 -0.381 -5.467 -3.073 29 HD1 TRP 3 HD1 TRP 3 -0.705 -3.795 -1.761 30 HE1 TRP 3 HE1 TRP 3 -1.642 -2.461 0.231 31 HE3 TRP 3 HE3 TRP 3 -1.321 -7.629 1.565 32 HZ2 TRP 3 HZ2 TRP 3 -2.524 -2.967 2.864 33 HZ3 TRP 3 HZ3 TRP 3 -2.216 -7.119 3.799 34 HH2 TRP 3 HH2 TRP 3 -2.804 -4.836 4.434 35 HB2 TRP 3 2HB TRP 3 -0.925 -7.532 -0.934 36 HB3 TRP 3 3HB TRP 3 0.628 -6.724 -1.131 37 H GLY 4 H GLY 4 -0.910 -6.929 -5.253 38 HA2 GLY 4 2HA GLY 4 0.668 -9.386 -5.150 39 HA3 GLY 4 3HA GLY 4 -0.289 -8.821 -6.512 40 H TRP 5 H TRP 5 1.741 -6.491 -5.039 41 HA TRP 5 HA TRP 5 3.317 -6.282 -7.441 42 HD1 TRP 5 HD1 TRP 5 1.320 -5.158 -7.837 43 HE1 TRP 5 HE1 TRP 5 -0.506 -3.346 -7.766 44 HE3 TRP 5 HE3 TRP 5 3.202 -2.257 -4.072 45 HZ2 TRP 5 HZ2 TRP 5 -1.073 -0.997 -6.307 46 HZ3 TRP 5 HZ3 TRP 5 1.957 -0.244 -3.399 47 HH2 TRP 5 HH2 TRP 5 -0.136 0.371 -4.495 48 HB2 TRP 5 2HB TRP 5 3.603 -4.746 -4.850 49 HB3 TRP 5 3HB TRP 5 4.279 -4.305 -6.416 50 H LEU 6 H LEU 6 4.163 -6.676 -3.994 51 HA LEU 6 HA LEU 6 6.861 -7.346 -4.494 52 HG LEU 6 HG LEU 6 3.999 -8.195 -2.435 53 HB2 LEU 6 2HB LEU 6 6.785 -8.221 -2.129 54 HB3 LEU 6 3HB LEU 6 6.348 -6.529 -2.354 55 HD11 LEU 6 1HD1 LEU 6 4.636 -9.767 -0.963 56 HD12 LEU 6 2HD1 LEU 6 4.381 -8.491 0.227 57 HD13 LEU 6 3HD1 LEU 6 6.004 -8.819 -0.380 58 HD21 LEU 6 3HD2 LEU 6 4.394 -5.680 -1.914 59 HD22 LEU 6 1HD2 LEU 6 4.686 -6.251 -0.271 60 HD23 LEU 6 2HD2 LEU 6 3.134 -6.562 -1.050 61 H ALA 7 H ALA 7 3.930 -9.205 -4.440 62 HA ALA 7 HA ALA 7 5.076 -11.771 -4.088 63 HB1 ALA 7 1HB ALA 7 2.573 -11.361 -5.665 64 HB2 ALA 7 2HB ALA 7 2.973 -12.624 -4.500 65 HB3 ALA 7 3HB ALA 7 2.597 -10.994 -3.940 66 H TRP 8 H TRP 8 4.679 -9.682 -6.850 67 HA TRP 8 HA TRP 8 5.394 -11.793 -8.722 68 HD1 TRP 8 HD1 TRP 8 2.823 -11.492 -7.959 69 HE1 TRP 8 HE1 TRP 8 0.712 -12.143 -9.280 70 HE3 TRP 8 HE3 TRP 8 3.916 -9.220 -12.407 71 HZ2 TRP 8 HZ2 TRP 8 -0.349 -11.747 -11.866 72 HZ3 TRP 8 HZ3 TRP 8 2.300 -9.404 -14.254 73 HH2 TRP 8 HH2 TRP 8 0.213 -10.643 -13.987 74 HB2 TRP 8 2HB TRP 8 4.545 -8.926 -9.012 75 HB3 TRP 8 3HB TRP 8 5.281 -9.782 -10.363 76 H VAL 9 H VAL 9 6.843 -9.116 -7.052 77 HA VAL 9 HA VAL 9 9.184 -8.999 -8.725 78 HB VAL 9 HB VAL 9 8.693 -7.800 -5.995 79 HG11 VAL 9 1HG1 VAL 9 10.579 -6.262 -7.261 80 HG12 VAL 9 2HG1 VAL 9 10.906 -7.471 -6.018 81 HG13 VAL 9 3HG1 VAL 9 11.041 -7.899 -7.724 82 HG21 VAL 9 3HG2 VAL 9 7.550 -7.141 -8.451 83 HG22 VAL 9 1HG2 VAL 9 7.567 -6.158 -6.987 84 HG23 VAL 9 2HG2 VAL 9 8.825 -5.948 -8.204 85 H ASP 10 H ASP 10 8.180 -10.723 -5.891 86 HA ASP 10 HA ASP 10 10.620 -11.376 -4.731 87 HB2 ASP 10 2HB ASP 10 7.900 -12.290 -4.560 88 HB3 ASP 10 3HB ASP 10 8.986 -13.676 -4.556 89 HA PRO 11 HA PRO 11 10.851 -15.286 -7.550 90 HB2 PRO 11 2HB PRO 11 9.071 -15.469 -9.592 91 HB3 PRO 11 3HB PRO 11 8.748 -16.107 -7.975 92 HG2 PRO 11 2HG PRO 11 7.849 -13.532 -9.210 93 HG3 PRO 11 3HG PRO 11 6.929 -14.679 -8.218 94 HD2 PRO 11 2HD PRO 11 7.970 -12.391 -7.212 95 HD3 PRO 11 3HD PRO 11 7.807 -13.871 -6.246 96 H ALA 12 H ALA 12 10.094 -12.151 -8.842 97 HA ALA 12 HA ALA 12 11.261 -12.427 -11.397 98 HB1 ALA 12 1HB ALA 12 10.526 -10.346 -11.663 99 HB2 ALA 12 2HB ALA 12 9.924 -10.425 -10.007 100 HB3 ALA 12 3HB ALA 12 11.522 -9.755 -10.333 101 H TYR 13 H TYR 13 12.567 -11.157 -8.340 102 HA TYR 13 HA TYR 13 15.109 -10.483 -9.271 103 HD1 TYR 13 HD2 TYR 13 17.398 -11.301 -7.559 104 HD2 TYR 13 HD1 TYR 13 14.829 -8.181 -6.229 105 HE1 TYR 13 HE2 TYR 13 19.356 -9.870 -7.154 106 HE2 TYR 13 HE1 TYR 13 16.781 -6.740 -5.821 107 HH TYR 13 HH TYR 13 18.986 -6.544 -5.958 108 HB2 TYR 13 2HB TYR 13 13.890 -10.159 -6.924 109 HB3 TYR 13 3HB TYR 13 14.845 -11.578 -6.513 110 H GLU 14 H GLU 14 13.895 -13.534 -7.943 111 HA GLU 14 HA GLU 14 16.348 -14.908 -7.923 112 HB2 GLU 14 2HB GLU 14 13.563 -16.035 -8.265 113 HB3 GLU 14 3HB GLU 14 14.993 -16.952 -7.810 114 HG2 GLU 14 2HG GLU 14 14.034 -14.634 -6.174 115 HG3 GLU 14 3HG GLU 14 13.371 -16.254 -5.966 116 H PHE 15 H PHE 15 14.077 -14.216 -10.464 117 HA PHE 15 HA PHE 15 15.003 -16.178 -12.307 118 HD1 PHE 15 HD2 PHE 15 12.903 -17.161 -12.266 119 HD2 PHE 15 HD1 PHE 15 13.059 -14.485 -15.571 120 HE1 PHE 15 HE2 PHE 15 11.926 -18.895 -13.712 121 HE2 PHE 15 HE1 PHE 15 12.081 -16.214 -17.023 122 HZ PHE 15 HZ PHE 15 11.514 -18.424 -16.094 123 HB2 PHE 15 2HB PHE 15 12.895 -14.361 -12.214 124 HB3 PHE 15 3HB PHE 15 13.889 -13.798 -13.554 125 H ILE 16 H ILE 16 15.738 -12.754 -11.790 126 HA ILE 16 HA ILE 16 17.397 -12.340 -13.992 127 HB ILE 16 HB ILE 16 17.663 -11.091 -11.255 128 HG12 ILE 16 2HG1 ILE 16 15.413 -10.794 -12.141 129 HG13 ILE 16 3HG1 ILE 16 16.289 -9.268 -12.212 130 HG21 ILE 16 1HG2 ILE 16 19.033 -10.670 -13.815 131 HG22 ILE 16 2HG2 ILE 16 18.435 -9.203 -13.043 132 HG23 ILE 16 3HG2 ILE 16 19.539 -10.268 -12.174 133 HD11 ILE 16 3HD1 ILE 16 15.773 -9.119 -14.351 134 HD12 ILE 16 1HD1 ILE 16 16.732 -10.565 -14.665 135 HD13 ILE 16 2HD1 ILE 16 15.011 -10.709 -14.309 136 H LYS 17 H LYS 17 17.969 -14.040 -11.028 137 HA LYS 17 HA LYS 17 20.777 -13.969 -10.963 138 HB2 LYS 17 2HB LYS 17 18.961 -16.197 -10.025 139 HB3 LYS 17 3HB LYS 17 20.623 -15.928 -9.517 140 HG2 LYS 17 2HG LYS 17 18.552 -13.812 -9.103 141 HG3 LYS 17 3HG LYS 17 18.693 -15.169 -7.983 142 HD2 LYS 17 2HD LYS 17 21.305 -14.203 -8.429 143 HD3 LYS 17 3HD LYS 17 20.280 -12.793 -8.149 144 HE2 LYS 17 2HE LYS 17 19.519 -13.689 -6.060 145 HE3 LYS 17 3HE LYS 17 20.330 -15.224 -6.367 146 HZ1 LYS 17 3HZ LYS 17 21.529 -13.731 -4.816 147 HZ2 LYS 17 1HZ LYS 17 21.748 -12.633 -6.084 148 HZ3 LYS 17 2HZ LYS 17 22.443 -14.173 -6.169 149 H GLY 18 H GLY 18 18.522 -15.935 -12.785 150 HA2 GLY 18 2HA GLY 18 20.723 -17.568 -13.833 151 HA3 GLY 18 3HA GLY 18 19.008 -17.893 -14.041 152 H PHE 19 H PHE 19 18.397 -15.143 -14.830 153 HA PHE 19 HA PHE 19 18.812 -15.431 -17.625 154 HD1 PHE 19 HD1 PHE 19 16.422 -16.068 -17.457 155 HD2 PHE 19 HD2 PHE 19 16.900 -12.053 -18.785 156 HE1 PHE 19 HE1 PHE 19 14.877 -16.505 -19.322 157 HE2 PHE 19 HE2 PHE 19 15.356 -12.483 -20.652 158 HZ PHE 19 HZ PHE 19 14.341 -14.710 -20.922 159 HB2 PHE 19 2HB PHE 19 17.156 -13.882 -15.936 160 HB3 PHE 19 3HB PHE 19 18.053 -12.747 -16.939 161 H GLY 20 H GLY 20 20.503 -13.762 -15.094 162 HA2 GLY 20 2HA GLY 20 22.530 -12.945 -17.049 163 HA3 GLY 20 3HA GLY 20 21.848 -11.707 -16.004 164 H LYS 21 H LYS 21 22.956 -15.055 -15.478 165 HA LYS 21 HA LYS 21 23.977 -14.563 -12.909 166 HB2 LYS 21 2HB LYS 21 25.003 -16.740 -13.065 167 HB3 LYS 21 3HB LYS 21 23.413 -16.810 -13.813 168 HG2 LYS 21 2HG LYS 21 25.408 -16.142 -15.769 169 HG3 LYS 21 3HG LYS 21 25.850 -17.619 -14.909 170 HD2 LYS 21 2HD LYS 21 23.025 -17.448 -15.700 171 HD3 LYS 21 3HD LYS 21 24.168 -17.514 -17.044 172 HE2 LYS 21 2HE LYS 21 25.166 -19.442 -15.421 173 HE3 LYS 21 3HE LYS 21 23.444 -19.567 -15.063 174 HZ1 LYS 21 3HZ LYS 21 22.956 -20.000 -17.311 175 HZ2 LYS 21 1HZ LYS 21 24.283 -20.982 -16.941 176 HZ3 LYS 21 2HZ LYS 21 24.505 -19.560 -17.829 177 H GLY 22 H GLY 22 25.232 -13.820 -16.001 178 HA2 GLY 22 2HA GLY 22 27.815 -13.114 -14.756 179 HA3 GLY 22 3HA GLY 22 27.737 -13.837 -16.356 180 H ALA 23 H ALA 23 25.482 -11.431 -15.143 181 HA ALA 23 HA ALA 23 25.600 -9.810 -17.399 182 HB1 ALA 23 1HB ALA 23 24.991 -8.309 -14.989 183 HB2 ALA 23 2HB ALA 23 23.970 -8.685 -16.377 184 HB3 ALA 23 3HB ALA 23 24.132 -9.849 -15.062 185 H ILE 24 H ILE 24 26.366 -7.554 -17.536 186 HA ILE 24 HA ILE 24 29.131 -7.401 -16.669 187 HB ILE 24 HB ILE 24 27.531 -5.539 -18.429 188 HG12 ILE 24 2HG1 ILE 24 29.263 -6.609 -20.116 189 HG13 ILE 24 3HG1 ILE 24 29.259 -7.923 -18.946 190 HG21 ILE 24 1HG2 ILE 24 30.166 -5.123 -19.012 191 HG22 ILE 24 2HG2 ILE 24 29.182 -4.100 -17.967 192 HG23 ILE 24 3HG2 ILE 24 30.206 -5.353 -17.265 193 HD11 ILE 24 3HD1 ILE 24 27.136 -8.543 -19.444 194 HD12 ILE 24 1HD1 ILE 24 26.639 -6.907 -19.879 195 HD13 ILE 24 2HD1 ILE 24 27.608 -7.863 -21.002 196 H LYS 25 H LYS 25 26.064 -6.007 -15.870 197 HA LYS 25 HA LYS 25 27.050 -3.685 -14.544 198 HB2 LYS 25 2HB LYS 25 24.751 -3.628 -13.530 199 HB3 LYS 25 3HB LYS 25 24.780 -3.665 -15.289 200 HG2 LYS 25 2HG LYS 25 24.664 -6.325 -14.143 201 HG3 LYS 25 3HG LYS 25 23.312 -5.312 -13.632 202 HD2 LYS 25 2HD LYS 25 24.136 -5.482 -16.513 203 HD3 LYS 25 3HD LYS 25 23.059 -6.682 -15.795 204 HE2 LYS 25 2HE LYS 25 21.458 -5.239 -16.465 205 HE3 LYS 25 3HE LYS 25 21.865 -4.421 -14.957 206 HZ1 LYS 25 3HZ LYS 25 23.495 -3.677 -17.228 207 HZ2 LYS 25 1HZ LYS 25 22.780 -2.705 -16.041 208 HZ3 LYS 25 2HZ LYS 25 21.865 -3.242 -17.358 209 H GLU 26 H GLU 26 26.403 -6.990 -13.578 210 HA GLU 26 HA GLU 26 26.576 -6.537 -10.772 211 HB2 GLU 26 2HB GLU 26 26.948 -9.070 -12.380 212 HB3 GLU 26 3HB GLU 26 26.817 -9.004 -10.628 213 HG2 GLU 26 2HG GLU 26 24.617 -7.643 -11.923 214 HG3 GLU 26 3HG GLU 26 24.751 -9.325 -12.436 215 H GLY 27 H GLY 27 28.897 -7.255 -13.296 216 HA2 GLY 27 2HA GLY 27 31.150 -6.243 -12.599 217 HA3 GLY 27 3HA GLY 27 31.037 -7.393 -11.275 218 H ASN 28 H ASN 28 31.863 -6.915 -14.567 219 HA ASN 28 HA ASN 28 31.791 -9.455 -15.640 220 HB2 ASN 28 2HB ASN 28 33.324 -6.998 -16.138 221 HB3 ASN 28 3HB ASN 28 34.140 -8.469 -16.659 222 HD21 ASN 28 1HD2 ASN 28 32.785 -9.976 -17.969 223 HD22 ASN 28 2HD2 ASN 28 31.719 -9.273 -19.132 224 H LYS 29 H LYS 29 32.751 -11.316 -15.171 225 HA LYS 29 HA LYS 29 34.672 -11.470 -13.042 226 HB2 LYS 29 2HB LYS 29 33.306 -13.488 -14.798 227 HB3 LYS 29 3HB LYS 29 34.632 -13.966 -13.747 228 HG2 LYS 29 2HG LYS 29 33.298 -14.030 -11.980 229 HG3 LYS 29 3HG LYS 29 32.702 -12.399 -12.297 230 HD2 LYS 29 2HD LYS 29 30.752 -13.559 -12.538 231 HD3 LYS 29 3HD LYS 29 31.350 -13.662 -14.195 232 HE2 LYS 29 2HE LYS 29 32.068 -15.874 -13.917 233 HE3 LYS 29 3HE LYS 29 32.007 -15.765 -12.159 234 HZ1 LYS 29 3HZ LYS 29 30.161 -17.049 -13.216 235 HZ2 LYS 29 1HZ LYS 29 29.596 -15.597 -13.875 236 HZ3 LYS 29 2HZ LYS 29 29.657 -15.797 -12.196 237 H ASP 30 H ASP 30 34.978 -10.725 -16.230 238 HA ASP 30 HA ASP 30 37.815 -11.360 -16.198 239 HB2 ASP 30 2HB ASP 30 36.295 -12.068 -18.684 240 HB3 ASP 30 3HB ASP 30 37.882 -12.622 -18.155 241 H LYS 31 H LYS 31 36.745 -8.895 -15.862 242 HA LYS 31 HA LYS 31 36.456 -7.470 -18.327 243 HB2 LYS 31 2HB LYS 31 36.288 -5.501 -16.987 244 HB3 LYS 31 3HB LYS 31 35.436 -6.782 -16.134 245 HG2 LYS 31 2HG LYS 31 37.997 -6.948 -15.133 246 HG3 LYS 31 3HG LYS 31 37.738 -5.213 -15.322 247 HD2 LYS 31 2HD LYS 31 35.927 -5.199 -13.862 248 HD3 LYS 31 3HD LYS 31 35.651 -6.934 -14.034 249 HE2 LYS 31 2HE LYS 31 37.601 -7.437 -12.741 250 HE3 LYS 31 3HE LYS 31 38.093 -5.744 -12.729 251 HZ1 LYS 31 3HZ LYS 31 35.660 -5.579 -11.650 252 HZ2 LYS 31 1HZ LYS 31 37.077 -5.759 -10.743 253 HZ3 LYS 31 2HZ LYS 31 36.124 -7.110 -11.099 254 H TRP 32 H TRP 32 39.107 -8.387 -16.309 255 HA TRP 32 HA TRP 32 40.975 -6.420 -17.071 256 HD1 TRP 32 HD1 TRP 32 39.756 -9.721 -14.515 257 HE1 TRP 32 HE1 TRP 32 39.781 -12.259 -14.941 258 HE3 TRP 32 HE3 TRP 32 43.385 -9.903 -18.111 259 HZ2 TRP 32 HZ2 TRP 32 41.158 -14.096 -16.585 260 HZ3 TRP 32 HZ3 TRP 32 43.998 -12.090 -19.058 261 HH2 TRP 32 HH2 TRP 32 42.907 -14.141 -18.309 262 HB2 TRP 32 2HB TRP 32 42.681 -8.132 -16.360 263 HB3 TRP 32 3HB TRP 32 41.445 -7.776 -15.156 264 H LYS 33 H LYS 33 39.763 -9.233 -18.680 265 HA LYS 33 HA LYS 33 41.890 -9.641 -20.500 266 HB2 LYS 33 2HB LYS 33 38.994 -10.240 -21.072 267 HB3 LYS 33 3HB LYS 33 40.416 -11.075 -21.681 268 HG2 LYS 33 2HG LYS 33 40.817 -11.569 -19.132 269 HG3 LYS 33 3HG LYS 33 39.078 -11.284 -19.035 270 HD2 LYS 33 2HD LYS 33 39.413 -13.626 -19.364 271 HD3 LYS 33 3HD LYS 33 38.787 -12.958 -20.874 272 HE2 LYS 33 2HE LYS 33 40.774 -13.241 -21.980 273 HE3 LYS 33 3HE LYS 33 41.736 -13.111 -20.508 274 HZ1 LYS 33 3HZ LYS 33 41.902 -15.330 -20.908 275 HZ2 LYS 33 1HZ LYS 33 40.384 -15.444 -21.647 276 HZ3 LYS 33 2HZ LYS 33 40.500 -15.344 -19.962 277 H ASN 34 H ASN 34 39.313 -7.341 -20.359 278 HA ASN 34 HA ASN 34 39.677 -6.555 -23.146 279 HB2 ASN 34 2HB ASN 34 37.563 -6.294 -21.175 280 HB3 ASN 34 3HB ASN 34 37.924 -4.747 -21.935 281 HD21 ASN 34 1HD2 ASN 34 37.381 -8.150 -22.757 282 HD22 ASN 34 2HD2 ASN 34 36.497 -7.836 -24.209 283 H ILE 35 H ILE 35 41.492 -6.098 -20.619 284 HA ILE 35 HA ILE 35 42.240 -3.383 -21.414 285 HB ILE 35 HB ILE 35 41.977 -4.211 -18.522 286 HG12 ILE 35 2HG1 ILE 35 39.794 -3.832 -19.666 287 HG13 ILE 35 3HG1 ILE 35 40.118 -2.670 -18.384 288 HG21 ILE 35 1HG2 ILE 35 42.534 -1.892 -18.028 289 HG22 ILE 35 2HG2 ILE 35 43.821 -2.662 -18.955 290 HG23 ILE 35 3HG2 ILE 35 42.703 -1.555 -19.751 291 HD11 ILE 35 3HD1 ILE 35 39.145 -1.835 -20.608 292 HD12 ILE 35 1HD1 ILE 35 40.474 -0.938 -19.876 293 HD13 ILE 35 2HD1 ILE 35 40.785 -2.031 -21.225 Start of MODEL 12 1 HA LYS 1 HA LYS 1 -3.388 -1.767 -3.747 2 H1 LYS 1 H LYS 1 -3.167 -0.264 -1.251 3 HB2 LYS 1 2HB LYS 1 -1.454 0.492 -3.250 4 HB3 LYS 1 3HB LYS 1 -1.150 -0.753 -4.454 5 HG2 LYS 1 2HG LYS 1 -3.799 0.432 -4.685 6 HG3 LYS 1 3HG LYS 1 -2.489 1.600 -4.874 7 HD2 LYS 1 2HD LYS 1 -2.832 0.817 -7.041 8 HD3 LYS 1 3HD LYS 1 -1.461 -0.139 -6.475 9 HE2 LYS 1 2HE LYS 1 -3.077 -1.937 -5.846 10 HE3 LYS 1 3HE LYS 1 -4.349 -0.992 -6.617 11 HZ1 LYS 1 3HZ LYS 1 -2.651 -2.806 -7.823 12 HZ2 LYS 1 1HZ LYS 1 -2.142 -1.286 -8.365 13 HZ3 LYS 1 2HZ LYS 1 -3.747 -1.769 -8.587 14 H LYS 2 H LYS 2 -2.718 -3.744 -3.268 15 HA LYS 2 HA LYS 2 -1.252 -4.452 -0.992 16 HB2 LYS 2 2HB LYS 2 -0.935 -6.652 -2.177 17 HB3 LYS 2 3HB LYS 2 -2.603 -6.110 -2.043 18 HG2 LYS 2 2HG LYS 2 -1.429 -5.154 -4.488 19 HG3 LYS 2 3HG LYS 2 -1.254 -6.905 -4.351 20 HD2 LYS 2 2HD LYS 2 -3.643 -7.136 -3.965 21 HD3 LYS 2 3HD LYS 2 -3.839 -5.382 -4.019 22 HE2 LYS 2 2HE LYS 2 -3.467 -5.283 -6.302 23 HE3 LYS 2 3HE LYS 2 -2.600 -6.818 -6.330 24 HZ1 LYS 2 3HZ LYS 2 -5.477 -6.307 -6.385 25 HZ2 LYS 2 1HZ LYS 2 -4.950 -7.693 -5.571 26 HZ3 LYS 2 2HZ LYS 2 -4.571 -7.477 -7.204 27 H TRP 3 H TRP 3 -0.231 -3.521 -4.194 28 HA TRP 3 HA TRP 3 1.813 -3.150 -5.120 29 HD1 TRP 3 HD1 TRP 3 1.414 -1.115 -5.447 30 HE1 TRP 3 HE1 TRP 3 0.774 1.324 -4.928 31 HE3 TRP 3 HE3 TRP 3 2.920 -0.902 -0.566 32 HZ2 TRP 3 HZ2 TRP 3 0.892 3.102 -2.739 33 HZ3 TRP 3 HZ3 TRP 3 2.621 1.205 0.670 34 HH2 TRP 3 HH2 TRP 3 1.629 3.164 -0.396 35 HB2 TRP 3 2HB TRP 3 2.474 -2.820 -2.194 36 HB3 TRP 3 3HB TRP 3 3.654 -2.533 -3.470 37 H GLY 4 H GLY 4 1.202 -5.755 -5.174 38 HA2 GLY 4 2HA GLY 4 3.429 -7.273 -4.046 39 HA3 GLY 4 3HA GLY 4 2.017 -7.942 -4.851 40 H TRP 5 H TRP 5 3.545 -5.317 -6.434 41 HA TRP 5 HA TRP 5 4.278 -7.019 -8.640 42 HD1 TRP 5 HD1 TRP 5 2.002 -6.587 -8.841 43 HE1 TRP 5 HE1 TRP 5 -0.207 -5.354 -9.316 44 HE3 TRP 5 HE3 TRP 5 3.826 -1.845 -9.410 45 HZ2 TRP 5 HZ2 TRP 5 -1.062 -2.719 -9.860 46 HZ3 TRP 5 HZ3 TRP 5 2.246 -0.025 -9.906 47 HH2 TRP 5 HH2 TRP 5 -0.147 -0.456 -10.127 48 HB2 TRP 5 2HB TRP 5 4.754 -4.051 -8.299 49 HB3 TRP 5 3HB TRP 5 4.817 -4.962 -9.806 50 H LEU 6 H LEU 6 6.090 -4.649 -6.677 51 HA LEU 6 HA LEU 6 8.628 -5.426 -7.609 52 HG LEU 6 HG LEU 6 6.658 -4.393 -4.769 53 HB2 LEU 6 2HB LEU 6 9.441 -4.277 -5.509 54 HB3 LEU 6 3HB LEU 6 8.465 -3.309 -6.613 55 HD11 LEU 6 1HD1 LEU 6 7.636 -3.505 -2.635 56 HD12 LEU 6 2HD1 LEU 6 9.197 -3.456 -3.454 57 HD13 LEU 6 3HD1 LEU 6 8.365 -4.995 -3.234 58 HD21 LEU 6 3HD2 LEU 6 6.603 -1.980 -3.983 59 HD22 LEU 6 1HD2 LEU 6 6.319 -2.257 -5.702 60 HD23 LEU 6 2HD2 LEU 6 7.891 -1.677 -5.151 61 H ALA 7 H ALA 7 6.546 -6.730 -5.165 62 HA ALA 7 HA ALA 7 8.474 -8.153 -3.665 63 HB1 ALA 7 1HB ALA 7 5.778 -9.327 -3.902 64 HB2 ALA 7 2HB ALA 7 6.725 -8.929 -2.467 65 HB3 ALA 7 3HB ALA 7 5.854 -7.661 -3.329 66 H TRP 8 H TRP 8 6.835 -8.809 -6.671 67 HA TRP 8 HA TRP 8 7.737 -11.577 -6.713 68 HD1 TRP 8 HD1 TRP 8 5.151 -10.571 -5.576 69 HE1 TRP 8 HE1 TRP 8 3.214 -12.197 -5.100 70 HE3 TRP 8 HE3 TRP 8 5.121 -13.117 -10.009 71 HZ2 TRP 8 HZ2 TRP 8 1.854 -14.284 -6.428 72 HZ3 TRP 8 HZ3 TRP 8 3.471 -14.914 -10.326 73 HH2 TRP 8 HH2 TRP 8 1.872 -15.485 -8.571 74 HB2 TRP 8 2HB TRP 8 5.992 -9.911 -8.507 75 HB3 TRP 8 3HB TRP 8 6.625 -11.461 -9.054 76 H VAL 9 H VAL 9 8.621 -8.475 -7.985 77 HA VAL 9 HA VAL 9 10.365 -9.525 -10.029 78 HB VAL 9 HB VAL 9 10.129 -6.720 -8.931 79 HG11 VAL 9 1HG1 VAL 9 11.128 -6.433 -11.420 80 HG12 VAL 9 2HG1 VAL 9 12.123 -6.507 -9.964 81 HG13 VAL 9 3HG1 VAL 9 11.888 -7.952 -10.947 82 HG21 VAL 9 3HG2 VAL 9 8.690 -6.226 -10.721 83 HG22 VAL 9 1HG2 VAL 9 9.083 -7.727 -11.561 84 HG23 VAL 9 2HG2 VAL 9 8.110 -7.767 -10.091 85 H ASP 10 H ASP 10 10.606 -8.623 -6.693 86 HA ASP 10 HA ASP 10 13.306 -8.050 -6.432 87 HB2 ASP 10 2HB ASP 10 11.131 -8.773 -4.685 88 HB3 ASP 10 3HB ASP 10 12.607 -9.588 -4.176 89 HA PRO 11 HA PRO 11 14.217 -12.742 -5.766 90 HB2 PRO 11 2HB PRO 11 12.214 -14.497 -6.294 91 HB3 PRO 11 3HB PRO 11 12.458 -13.768 -4.703 92 HG2 PRO 11 2HG PRO 11 10.533 -13.001 -6.863 93 HG3 PRO 11 3HG PRO 11 10.263 -13.119 -5.114 94 HD2 PRO 11 2HD PRO 11 10.683 -10.755 -6.367 95 HD3 PRO 11 3HD PRO 11 11.215 -11.061 -4.701 96 H ALA 12 H ALA 12 12.205 -11.649 -8.386 97 HA ALA 12 HA ALA 12 12.935 -13.623 -10.291 98 HB1 ALA 12 1HB ALA 12 11.303 -12.625 -11.410 99 HB2 ALA 12 2HB ALA 12 11.255 -11.335 -10.209 100 HB3 ALA 12 3HB ALA 12 12.313 -11.193 -11.613 101 H TYR 13 H TYR 13 14.016 -10.249 -9.867 102 HA TYR 13 HA TYR 13 15.975 -10.257 -11.848 103 HD1 TYR 13 HD1 TYR 13 18.606 -8.524 -11.074 104 HD2 TYR 13 HD2 TYR 13 14.749 -6.934 -11.910 105 HE1 TYR 13 HE1 TYR 13 19.592 -7.038 -12.768 106 HE2 TYR 13 HE2 TYR 13 15.724 -5.444 -13.606 107 HH TYR 13 HH TYR 13 19.223 -5.381 -14.203 108 HB2 TYR 13 2HB TYR 13 15.009 -8.394 -10.114 109 HB3 TYR 13 3HB TYR 13 16.609 -8.680 -9.438 110 H GLU 14 H GLU 14 16.303 -10.914 -8.366 111 HA GLU 14 HA GLU 14 19.044 -11.398 -8.318 112 HB2 GLU 14 2HB GLU 14 16.843 -12.592 -6.627 113 HB3 GLU 14 3HB GLU 14 18.557 -12.765 -6.277 114 HG2 GLU 14 2HG GLU 14 16.931 -10.239 -6.284 115 HG3 GLU 14 3HG GLU 14 17.710 -11.021 -4.910 116 H PHE 15 H PHE 15 16.417 -13.395 -9.410 117 HA PHE 15 HA PHE 15 17.804 -15.876 -9.378 118 HD1 PHE 15 HD1 PHE 15 15.988 -17.591 -8.436 119 HD2 PHE 15 HD2 PHE 15 15.662 -17.120 -12.654 120 HE1 PHE 15 HE1 PHE 15 15.858 -20.034 -8.696 121 HE2 PHE 15 HE2 PHE 15 15.530 -19.562 -12.920 122 HZ PHE 15 HZ PHE 15 15.627 -21.023 -10.940 123 HB2 PHE 15 2HB PHE 15 15.256 -15.418 -9.558 124 HB3 PHE 15 3HB PHE 15 15.566 -15.246 -11.283 125 H ILE 16 H ILE 16 17.276 -13.402 -11.852 126 HA ILE 16 HA ILE 16 18.409 -14.735 -14.026 127 HB ILE 16 HB ILE 16 18.487 -11.766 -13.472 128 HG12 ILE 16 2HG1 ILE 16 16.206 -12.680 -13.371 129 HG13 ILE 16 3HG1 ILE 16 16.423 -11.663 -14.792 130 HG21 ILE 16 1HG2 ILE 16 18.245 -12.259 -16.211 131 HG22 ILE 16 2HG2 ILE 16 19.657 -11.641 -15.356 132 HG23 ILE 16 3HG2 ILE 16 19.488 -13.372 -15.640 133 HD11 ILE 16 3HD1 ILE 16 16.402 -14.669 -14.712 134 HD12 ILE 16 1HD1 ILE 16 15.159 -13.613 -15.382 135 HD13 ILE 16 2HD1 ILE 16 16.747 -13.701 -16.145 136 H LYS 17 H LYS 17 19.886 -13.215 -11.286 137 HA LYS 17 HA LYS 17 22.469 -12.802 -12.363 138 HB2 LYS 17 2HB LYS 17 21.549 -13.235 -9.517 139 HB3 LYS 17 3HB LYS 17 23.188 -12.774 -9.960 140 HG2 LYS 17 2HG LYS 17 21.555 -10.931 -11.257 141 HG3 LYS 17 3HG LYS 17 20.834 -11.140 -9.660 142 HD2 LYS 17 2HD LYS 17 23.106 -10.770 -8.678 143 HD3 LYS 17 3HD LYS 17 23.678 -10.366 -10.299 144 HE2 LYS 17 2HE LYS 17 21.298 -8.884 -9.739 145 HE3 LYS 17 3HE LYS 17 22.438 -8.674 -8.410 146 HZ1 LYS 17 3HZ LYS 17 23.593 -8.475 -11.055 147 HZ2 LYS 17 1HZ LYS 17 23.839 -7.508 -9.689 148 HZ3 LYS 17 2HZ LYS 17 22.488 -7.252 -10.674 149 H GLY 18 H GLY 18 20.871 -15.584 -10.958 150 HA2 GLY 18 2HA GLY 18 23.361 -17.117 -10.957 151 HA3 GLY 18 3HA GLY 18 21.814 -17.648 -10.313 152 H PHE 19 H PHE 19 20.573 -16.639 -12.920 153 HA PHE 19 HA PHE 19 20.521 -19.142 -14.234 154 HD1 PHE 19 HD1 PHE 19 18.268 -19.532 -13.718 155 HD2 PHE 19 HD2 PHE 19 18.450 -17.670 -17.541 156 HE1 PHE 19 HE1 PHE 19 16.678 -21.191 -14.598 157 HE2 PHE 19 HE2 PHE 19 16.860 -19.325 -18.427 158 HZ PHE 19 HZ PHE 19 15.971 -21.088 -16.954 159 HB2 PHE 19 2HB PHE 19 18.933 -16.913 -14.260 160 HB3 PHE 19 3HB PHE 19 19.709 -16.814 -15.837 161 H GLY 20 H GLY 20 22.413 -16.240 -14.686 162 HA2 GLY 20 2HA GLY 20 24.251 -17.648 -16.394 163 HA3 GLY 20 3HA GLY 20 23.333 -16.414 -17.245 164 H LYS 21 H LYS 21 25.209 -16.798 -14.239 165 HA LYS 21 HA LYS 21 25.806 -14.073 -13.921 166 HB2 LYS 21 2HB LYS 21 27.551 -14.821 -12.371 167 HB3 LYS 21 3HB LYS 21 26.048 -15.695 -12.106 168 HG2 LYS 21 2HG LYS 21 27.785 -17.055 -13.987 169 HG3 LYS 21 3HG LYS 21 28.559 -16.794 -12.423 170 HD2 LYS 21 2HD LYS 21 25.781 -17.727 -12.269 171 HD3 LYS 21 3HD LYS 21 26.900 -18.873 -13.012 172 HE2 LYS 21 2HE LYS 21 27.648 -17.516 -10.459 173 HE3 LYS 21 3HE LYS 21 26.527 -18.875 -10.425 174 HZ1 LYS 21 3HZ LYS 21 29.352 -18.840 -11.276 175 HZ2 LYS 21 1HZ LYS 21 28.305 -20.059 -11.804 176 HZ3 LYS 21 2HZ LYS 21 28.596 -19.851 -10.151 177 H GLY 22 H GLY 22 27.026 -16.398 -16.110 178 HA2 GLY 22 2HA GLY 22 29.338 -14.665 -16.723 179 HA3 GLY 22 3HA GLY 22 29.267 -16.386 -17.072 180 H ALA 23 H ALA 23 26.563 -14.250 -17.649 181 HA ALA 23 HA ALA 23 26.420 -15.035 -20.390 182 HB1 ALA 23 1HB ALA 23 24.492 -13.538 -20.507 183 HB2 ALA 23 2HB ALA 23 24.408 -14.583 -19.088 184 HB3 ALA 23 3HB ALA 23 24.891 -12.896 -18.913 185 H ILE 24 H ILE 24 28.325 -14.354 -21.386 186 HA ILE 24 HA ILE 24 29.339 -11.719 -21.254 187 HB ILE 24 HB ILE 24 29.735 -13.771 -23.435 188 HG12 ILE 24 2HG1 ILE 24 30.386 -14.591 -21.201 189 HG13 ILE 24 3HG1 ILE 24 31.786 -14.363 -22.243 190 HG21 ILE 24 1HG2 ILE 24 30.648 -11.988 -24.464 191 HG22 ILE 24 2HG2 ILE 24 30.814 -11.075 -22.966 192 HG23 ILE 24 3HG2 ILE 24 32.004 -12.308 -23.383 193 HD11 ILE 24 3HD1 ILE 24 32.205 -13.597 -19.970 194 HD12 ILE 24 1HD1 ILE 24 32.293 -12.269 -21.127 195 HD13 ILE 24 2HD1 ILE 24 30.867 -12.456 -20.106 196 H LYS 25 H LYS 25 26.805 -13.171 -23.100 197 HA LYS 25 HA LYS 25 26.705 -11.412 -25.286 198 HB2 LYS 25 2HB LYS 25 24.353 -12.765 -23.957 199 HB3 LYS 25 3HB LYS 25 24.445 -12.196 -25.619 200 HG2 LYS 25 2HG LYS 25 25.205 -14.169 -26.260 201 HG3 LYS 25 3HG LYS 25 26.597 -13.994 -25.188 202 HD2 LYS 25 2HD LYS 25 25.314 -14.940 -23.346 203 HD3 LYS 25 3HD LYS 25 23.893 -15.070 -24.385 204 HE2 LYS 25 2HE LYS 25 26.182 -16.332 -25.602 205 HE3 LYS 25 3HE LYS 25 25.891 -16.984 -23.990 206 HZ1 LYS 25 3HZ LYS 25 24.504 -18.296 -25.191 207 HZ2 LYS 25 1HZ LYS 25 24.222 -17.130 -26.385 208 HZ3 LYS 25 2HZ LYS 25 23.432 -17.022 -24.893 209 H GLU 26 H GLU 26 24.551 -11.403 -22.438 210 HA GLU 26 HA GLU 26 23.452 -8.881 -22.913 211 HB2 GLU 26 2HB GLU 26 23.828 -10.300 -20.270 212 HB3 GLU 26 3HB GLU 26 22.753 -8.936 -20.547 213 HG2 GLU 26 2HG GLU 26 21.785 -10.536 -22.411 214 HG3 GLU 26 3HG GLU 26 22.472 -11.774 -21.361 215 H GLY 27 H GLY 27 26.479 -9.807 -21.496 216 HA2 GLY 27 2HA GLY 27 28.261 -8.148 -21.526 217 HA3 GLY 27 3HA GLY 27 27.070 -6.951 -21.038 218 H ASN 28 H ASN 28 29.462 -9.075 -19.988 219 HA ASN 28 HA ASN 28 28.574 -9.712 -17.396 220 HB2 ASN 28 2HB ASN 28 30.740 -10.397 -18.870 221 HB3 ASN 28 3HB ASN 28 31.474 -9.244 -17.759 222 HD21 ASN 28 1HD2 ASN 28 31.322 -12.326 -18.161 223 HD22 ASN 28 2HD2 ASN 28 31.128 -12.904 -16.545 224 H LYS 29 H LYS 29 27.683 -7.974 -16.338 225 HA LYS 29 HA LYS 29 29.050 -5.460 -16.110 226 HB2 LYS 29 2HB LYS 29 26.598 -6.597 -14.769 227 HB3 LYS 29 3HB LYS 29 27.220 -4.991 -14.413 228 HG2 LYS 29 2HG LYS 29 26.439 -4.120 -16.329 229 HG3 LYS 29 3HG LYS 29 26.819 -5.567 -17.265 230 HD2 LYS 29 2HD LYS 29 24.854 -6.685 -16.273 231 HD3 LYS 29 3HD LYS 29 24.461 -5.192 -15.418 232 HE2 LYS 29 2HE LYS 29 23.666 -4.184 -17.277 233 HE3 LYS 29 3HE LYS 29 24.868 -4.935 -18.326 234 HZ1 LYS 29 3HZ LYS 29 23.206 -6.217 -19.021 235 HZ2 LYS 29 1HZ LYS 29 22.187 -5.757 -17.750 236 HZ3 LYS 29 2HZ LYS 29 23.299 -7.012 -17.531 237 H ASP 30 H ASP 30 28.223 -8.033 -13.783 238 HA ASP 30 HA ASP 30 30.069 -6.908 -11.840 239 HB2 ASP 30 2HB ASP 30 28.613 -9.504 -11.464 240 HB3 ASP 30 3HB ASP 30 29.081 -8.308 -10.259 241 H LYS 31 H LYS 31 31.500 -7.613 -14.003 242 HA LYS 31 HA LYS 31 32.543 -10.300 -13.682 243 HB2 LYS 31 2HB LYS 31 33.922 -9.805 -15.603 244 HB3 LYS 31 3HB LYS 31 32.276 -9.278 -15.927 245 HG2 LYS 31 2HG LYS 31 33.380 -7.454 -16.685 246 HG3 LYS 31 3HG LYS 31 33.235 -6.987 -14.989 247 HD2 LYS 31 2HD LYS 31 35.533 -8.408 -14.914 248 HD3 LYS 31 3HD LYS 31 35.614 -7.753 -16.552 249 HE2 LYS 31 2HE LYS 31 35.200 -5.492 -15.600 250 HE3 LYS 31 3HE LYS 31 35.292 -6.199 -13.987 251 HZ1 LYS 31 3HZ LYS 31 37.403 -5.265 -14.548 252 HZ2 LYS 31 1HZ LYS 31 37.460 -6.111 -16.012 253 HZ3 LYS 31 2HZ LYS 31 37.562 -6.949 -14.547 254 H TRP 32 H TRP 32 33.280 -7.098 -12.637 255 HA TRP 32 HA TRP 32 36.047 -7.413 -12.149 256 HD1 TRP 32 HD1 TRP 32 32.553 -4.825 -12.569 257 HE1 TRP 32 HE1 TRP 32 30.608 -4.395 -10.940 258 HE3 TRP 32 HE3 TRP 32 34.866 -6.099 -8.191 259 HZ2 TRP 32 HZ2 TRP 32 30.118 -4.573 -8.165 260 HZ3 TRP 32 HZ3 TRP 32 33.589 -5.941 -6.094 261 HH2 TRP 32 HH2 TRP 32 31.265 -5.193 -6.083 262 HB2 TRP 32 2HB TRP 32 35.718 -5.473 -10.575 263 HB3 TRP 32 3HB TRP 32 35.146 -5.199 -12.219 264 H LYS 33 H LYS 33 33.223 -8.468 -10.463 265 HA LYS 33 HA LYS 33 34.321 -8.773 -7.880 266 HB2 LYS 33 2HB LYS 33 32.171 -10.528 -9.054 267 HB3 LYS 33 3HB LYS 33 32.403 -10.075 -7.371 268 HG2 LYS 33 2HG LYS 33 32.089 -7.665 -8.740 269 HG3 LYS 33 3HG LYS 33 30.889 -8.760 -9.430 270 HD2 LYS 33 2HD LYS 33 31.269 -8.247 -6.481 271 HD3 LYS 33 3HD LYS 33 30.034 -7.487 -7.488 272 HE2 LYS 33 2HE LYS 33 28.700 -9.239 -7.208 273 HE3 LYS 33 3HE LYS 33 29.929 -10.307 -7.884 274 HZ1 LYS 33 3HZ LYS 33 29.405 -9.643 -5.062 275 HZ2 LYS 33 1HZ LYS 33 30.941 -10.170 -5.538 276 HZ3 LYS 33 2HZ LYS 33 29.593 -11.162 -5.783 277 H ASN 34 H ASN 34 34.617 -10.622 -10.786 278 HA ASN 34 HA ASN 34 35.704 -12.932 -9.373 279 HB2 ASN 34 2HB ASN 34 34.467 -12.480 -11.948 280 HB3 ASN 34 3HB ASN 34 36.007 -13.314 -12.137 281 HD21 ASN 34 1HD2 ASN 34 33.045 -13.395 -10.198 282 HD22 ASN 34 2HD2 ASN 34 32.955 -15.118 -10.095 283 H ILE 35 H ILE 35 36.926 -10.083 -9.935 284 HA ILE 35 HA ILE 35 39.612 -11.133 -10.444 285 HB ILE 35 HB ILE 35 38.397 -8.773 -11.879 286 HG12 ILE 35 2HG1 ILE 35 39.873 -10.986 -13.226 287 HG13 ILE 35 3HG1 ILE 35 38.249 -11.322 -12.635 288 HG21 ILE 35 1HG2 ILE 35 41.271 -9.654 -11.697 289 HG22 ILE 35 2HG2 ILE 35 40.660 -8.522 -12.902 290 HG23 ILE 35 3HG2 ILE 35 40.587 -8.110 -11.189 291 HD11 ILE 35 3HD1 ILE 35 39.037 -9.180 -14.595 292 HD12 ILE 35 1HD1 ILE 35 38.167 -10.673 -14.948 293 HD13 ILE 35 2HD1 ILE 35 37.411 -9.425 -13.958 Start of MODEL 13 1 HA LYS 1 HA LYS 1 -1.927 -0.891 -1.393 2 H1 LYS 1 H LYS 1 -1.068 -2.128 1.040 3 HB2 LYS 1 2HB LYS 1 0.376 0.188 -0.259 4 HB3 LYS 1 3HB LYS 1 0.980 -0.925 -1.479 5 HG2 LYS 1 2HG LYS 1 -0.667 0.214 -3.070 6 HG3 LYS 1 3HG LYS 1 -0.780 1.473 -1.838 7 HD2 LYS 1 2HD LYS 1 1.870 0.545 -2.904 8 HD3 LYS 1 3HD LYS 1 0.927 1.790 -3.727 9 HE2 LYS 1 2HE LYS 1 1.374 2.101 -0.810 10 HE3 LYS 1 3HE LYS 1 2.752 2.366 -1.877 11 HZ1 LYS 1 3HZ LYS 1 1.555 4.419 -1.456 12 HZ2 LYS 1 1HZ LYS 1 0.128 3.745 -2.067 13 HZ3 LYS 1 2HZ LYS 1 1.450 4.000 -3.092 14 H LYS 2 H LYS 2 -0.843 -1.978 -3.322 15 HA LYS 2 HA LYS 2 -1.050 -4.793 -2.992 16 HB2 LYS 2 2HB LYS 2 -0.230 -3.039 -5.300 17 HB3 LYS 2 3HB LYS 2 -0.221 -4.794 -5.417 18 HG2 LYS 2 2HG LYS 2 -2.447 -4.917 -5.604 19 HG3 LYS 2 3HG LYS 2 -2.719 -3.668 -4.387 20 HD2 LYS 2 2HD LYS 2 -2.028 -1.976 -6.105 21 HD3 LYS 2 3HD LYS 2 -2.025 -3.280 -7.295 22 HE2 LYS 2 2HE LYS 2 -4.272 -3.352 -7.405 23 HE3 LYS 2 3HE LYS 2 -4.465 -3.092 -5.672 24 HZ1 LYS 2 3HZ LYS 2 -3.748 -0.704 -6.218 25 HZ2 LYS 2 1HZ LYS 2 -5.327 -1.176 -6.601 26 HZ3 LYS 2 2HZ LYS 2 -4.152 -1.092 -7.815 27 H TRP 3 H TRP 3 1.686 -2.631 -3.670 28 HA TRP 3 HA TRP 3 3.938 -2.920 -3.507 29 HD1 TRP 3 HD1 TRP 3 4.487 -1.347 -2.271 30 HE1 TRP 3 HE1 TRP 3 4.259 0.255 -0.269 31 HE3 TRP 3 HE3 TRP 3 2.672 -4.635 1.198 32 HZ2 TRP 3 HZ2 TRP 3 3.422 0.140 2.424 33 HZ3 TRP 3 HZ3 TRP 3 2.185 -3.809 3.464 34 HH2 TRP 3 HH2 TRP 3 2.553 -1.471 4.062 35 HB2 TRP 3 2HB TRP 3 2.917 -4.714 -1.318 36 HB3 TRP 3 3HB TRP 3 4.643 -4.557 -1.635 37 H GLY 4 H GLY 4 3.004 -4.177 -5.674 38 HA2 GLY 4 2HA GLY 4 3.958 -6.938 -5.655 39 HA3 GLY 4 3HA GLY 4 3.114 -6.139 -6.973 40 H TRP 5 H TRP 5 5.694 -4.388 -5.555 41 HA TRP 5 HA TRP 5 7.187 -4.516 -8.017 42 HD1 TRP 5 HD1 TRP 5 5.498 -2.948 -8.331 43 HE1 TRP 5 HE1 TRP 5 4.153 -0.759 -8.179 44 HE3 TRP 5 HE3 TRP 5 8.141 -0.628 -4.620 45 HZ2 TRP 5 HZ2 TRP 5 4.206 1.635 -6.684 46 HZ3 TRP 5 HZ3 TRP 5 7.429 1.611 -3.887 47 HH2 TRP 5 HH2 TRP 5 5.502 2.717 -4.900 48 HB2 TRP 5 2HB TRP 5 7.918 -3.128 -5.430 49 HB3 TRP 5 3HB TRP 5 8.622 -2.835 -7.017 50 H LEU 6 H LEU 6 8.034 -5.150 -4.606 51 HA LEU 6 HA LEU 6 10.479 -6.430 -5.213 52 HG LEU 6 HG LEU 6 7.613 -6.877 -3.025 53 HB2 LEU 6 2HB LEU 6 10.461 -7.155 -2.886 54 HB3 LEU 6 3HB LEU 6 10.045 -5.449 -3.038 55 HD11 LEU 6 1HD1 LEU 6 7.753 -8.030 -0.858 56 HD12 LEU 6 2HD1 LEU 6 9.497 -7.768 -0.847 57 HD13 LEU 6 3HD1 LEU 6 8.767 -8.787 -2.088 58 HD21 LEU 6 3HD2 LEU 6 7.256 -5.640 -0.941 59 HD22 LEU 6 1HD2 LEU 6 7.958 -4.616 -2.194 60 HD23 LEU 6 2HD2 LEU 6 8.973 -5.235 -0.891 61 H ALA 7 H ALA 7 7.194 -7.548 -5.034 62 HA ALA 7 HA ALA 7 7.738 -10.319 -4.762 63 HB1 ALA 7 1HB ALA 7 5.439 -8.658 -5.002 64 HB2 ALA 7 2HB ALA 7 5.310 -9.972 -6.172 65 HB3 ALA 7 3HB ALA 7 5.541 -10.334 -4.461 66 H TRP 8 H TRP 8 7.701 -8.130 -7.464 67 HA TRP 8 HA TRP 8 7.749 -10.295 -9.408 68 HD1 TRP 8 HD1 TRP 8 5.359 -9.262 -8.447 69 HE1 TRP 8 HE1 TRP 8 3.095 -9.366 -9.666 70 HE3 TRP 8 HE3 TRP 8 6.813 -7.481 -13.013 71 HZ2 TRP 8 HZ2 TRP 8 2.062 -8.773 -12.225 72 HZ3 TRP 8 HZ3 TRP 8 5.126 -7.281 -14.793 73 HH2 TRP 8 HH2 TRP 8 2.800 -7.914 -14.405 74 HB2 TRP 8 2HB TRP 8 7.641 -7.298 -9.598 75 HB3 TRP 8 3HB TRP 8 8.063 -8.268 -11.007 76 H VAL 9 H VAL 9 9.925 -8.120 -7.797 77 HA VAL 9 HA VAL 9 12.118 -8.492 -9.607 78 HB VAL 9 HB VAL 9 12.113 -7.454 -6.770 79 HG11 VAL 9 1HG1 VAL 9 14.245 -7.852 -8.776 80 HG12 VAL 9 2HG1 VAL 9 14.266 -6.323 -7.895 81 HG13 VAL 9 3HG1 VAL 9 14.328 -7.851 -7.015 82 HG21 VAL 9 3HG2 VAL 9 12.614 -5.426 -8.679 83 HG22 VAL 9 1HG2 VAL 9 11.178 -6.306 -9.203 84 HG23 VAL 9 2HG2 VAL 9 11.234 -5.588 -7.593 85 H ASP 10 H ASP 10 10.893 -10.125 -6.797 86 HA ASP 10 HA ASP 10 13.129 -11.476 -5.883 87 HB2 ASP 10 2HB ASP 10 10.250 -11.774 -5.670 88 HB3 ASP 10 3HB ASP 10 11.057 -13.339 -5.708 89 HA PRO 11 HA PRO 11 12.245 -15.050 -9.003 90 HB2 PRO 11 2HB PRO 11 10.381 -14.605 -10.926 91 HB3 PRO 11 3HB PRO 11 9.985 -15.289 -9.345 92 HG2 PRO 11 2HG PRO 11 9.701 -12.471 -10.314 93 HG3 PRO 11 3HG PRO 11 8.571 -13.443 -9.353 94 HD2 PRO 11 2HD PRO 11 10.197 -11.581 -8.248 95 HD3 PRO 11 3HD PRO 11 9.715 -13.058 -7.389 96 H ALA 12 H ALA 12 12.346 -11.724 -9.914 97 HA ALA 12 HA ALA 12 13.305 -12.093 -12.579 98 HB1 ALA 12 1HB ALA 12 12.191 -10.031 -11.887 99 HB2 ALA 12 2HB ALA 12 13.517 -9.684 -10.777 100 HB3 ALA 12 3HB ALA 12 13.806 -9.707 -12.517 101 H TYR 13 H TYR 13 14.983 -10.762 -9.722 102 HA TYR 13 HA TYR 13 17.553 -10.857 -10.723 103 HD1 TYR 13 HD2 TYR 13 19.550 -9.572 -9.438 104 HD2 TYR 13 HD1 TYR 13 18.115 -12.460 -6.663 105 HE1 TYR 13 HE2 TYR 13 21.846 -9.931 -8.633 106 HE2 TYR 13 HE1 TYR 13 20.406 -12.826 -5.849 107 HH TYR 13 HH TYR 13 22.660 -11.169 -5.890 108 HB2 TYR 13 2HB TYR 13 17.095 -9.703 -8.664 109 HB3 TYR 13 3HB TYR 13 16.581 -11.193 -7.881 110 H GLU 14 H GLU 14 15.861 -13.357 -8.841 111 HA GLU 14 HA GLU 14 17.884 -15.230 -8.660 112 HB2 GLU 14 2HB GLU 14 14.899 -15.554 -8.902 113 HB3 GLU 14 3HB GLU 14 15.969 -16.930 -8.676 114 HG2 GLU 14 2HG GLU 14 16.833 -15.399 -6.671 115 HG3 GLU 14 3HG GLU 14 15.175 -14.811 -6.780 116 H PHE 15 H PHE 15 15.715 -14.554 -11.348 117 HA PHE 15 HA PHE 15 16.508 -16.798 -12.917 118 HD1 PHE 15 HD2 PHE 15 14.171 -17.301 -12.296 119 HD2 PHE 15 HD1 PHE 15 14.453 -15.815 -16.275 120 HE1 PHE 15 HE2 PHE 15 12.801 -19.182 -13.091 121 HE2 PHE 15 HE1 PHE 15 13.081 -17.694 -17.077 122 HZ PHE 15 HZ PHE 15 12.254 -19.382 -15.485 123 HB2 PHE 15 2HB PHE 15 14.618 -14.661 -13.120 124 HB3 PHE 15 3HB PHE 15 15.563 -14.717 -14.605 125 H ILE 16 H ILE 16 17.498 -13.413 -12.763 126 HA ILE 16 HA ILE 16 19.202 -13.447 -15.011 127 HB ILE 16 HB ILE 16 19.367 -11.703 -12.550 128 HG12 ILE 16 2HG1 ILE 16 17.196 -11.575 -13.726 129 HG13 ILE 16 3HG1 ILE 16 18.105 -10.073 -13.852 130 HG21 ILE 16 1HG2 ILE 16 20.832 -11.728 -15.133 131 HG22 ILE 16 2HG2 ILE 16 20.401 -10.166 -14.439 132 HG23 ILE 16 3HG2 ILE 16 21.392 -11.297 -13.517 133 HD11 ILE 16 3HD1 ILE 16 17.012 -10.694 -15.951 134 HD12 ILE 16 1HD1 ILE 16 18.767 -10.631 -16.107 135 HD13 ILE 16 2HD1 ILE 16 17.948 -12.188 -15.985 136 H LYS 17 H LYS 17 19.816 -13.990 -11.561 137 HA LYS 17 HA LYS 17 22.613 -14.333 -11.806 138 HB2 LYS 17 2HB LYS 17 22.494 -15.302 -9.556 139 HB3 LYS 17 3HB LYS 17 21.551 -13.821 -9.665 140 HG2 LYS 17 2HG LYS 17 19.502 -15.106 -9.830 141 HG3 LYS 17 3HG LYS 17 20.424 -16.611 -9.803 142 HD2 LYS 17 2HD LYS 17 20.355 -14.560 -7.589 143 HD3 LYS 17 3HD LYS 17 19.453 -16.077 -7.607 144 HE2 LYS 17 2HE LYS 17 22.452 -15.756 -7.610 145 HE3 LYS 17 3HE LYS 17 21.455 -16.325 -6.272 146 HZ1 LYS 17 3HZ LYS 17 22.252 -17.716 -8.718 147 HZ2 LYS 17 1HZ LYS 17 20.731 -18.077 -8.071 148 HZ3 LYS 17 2HZ LYS 17 22.123 -18.301 -7.137 149 H GLY 18 H GLY 18 19.906 -16.439 -12.337 150 HA2 GLY 18 2HA GLY 18 21.543 -18.843 -12.316 151 HA3 GLY 18 3HA GLY 18 19.817 -18.757 -12.638 152 H PHE 19 H PHE 19 20.497 -16.492 -14.595 153 HA PHE 19 HA PHE 19 20.742 -18.219 -16.893 154 HD1 PHE 19 HD2 PHE 19 18.270 -17.878 -16.307 155 HD2 PHE 19 HD1 PHE 19 19.516 -15.615 -19.690 156 HE1 PHE 19 HE2 PHE 19 16.352 -18.739 -17.585 157 HE2 PHE 19 HE1 PHE 19 17.600 -16.472 -20.974 158 HZ PHE 19 HZ PHE 19 16.016 -18.037 -19.922 159 HB2 PHE 19 2HB PHE 19 19.810 -15.517 -16.356 160 HB3 PHE 19 3HB PHE 19 20.811 -15.588 -17.803 161 H GLY 20 H GLY 20 22.717 -15.869 -15.193 162 HA2 GLY 20 2HA GLY 20 24.962 -16.601 -16.967 163 HA3 GLY 20 3HA GLY 20 24.697 -14.936 -16.469 164 H LYS 21 H LYS 21 24.496 -17.950 -14.602 165 HA LYS 21 HA LYS 21 25.775 -16.881 -12.342 166 HB2 LYS 21 2HB LYS 21 25.871 -19.172 -11.519 167 HB3 LYS 21 3HB LYS 21 24.309 -18.856 -12.265 168 HG2 LYS 21 2HG LYS 21 26.371 -20.000 -14.032 169 HG3 LYS 21 3HG LYS 21 25.778 -21.050 -12.742 170 HD2 LYS 21 2HD LYS 21 23.527 -19.778 -13.881 171 HD3 LYS 21 3HD LYS 21 24.527 -20.355 -15.217 172 HE2 LYS 21 2HE LYS 21 24.070 -22.196 -12.932 173 HE3 LYS 21 3HE LYS 21 22.718 -21.895 -14.023 174 HZ1 LYS 21 3HZ LYS 21 25.133 -23.404 -14.463 175 HZ2 LYS 21 1HZ LYS 21 24.755 -22.346 -15.728 176 HZ3 LYS 21 2HZ LYS 21 23.633 -23.512 -15.238 177 H GLY 22 H GLY 22 27.040 -18.042 -15.297 178 HA2 GLY 22 2HA GLY 22 29.709 -17.372 -14.542 179 HA3 GLY 22 3HA GLY 22 29.493 -19.114 -14.633 180 H ALA 23 H ALA 23 29.171 -16.117 -16.486 181 HA ALA 23 HA ALA 23 30.263 -17.392 -18.820 182 HB1 ALA 23 1HB ALA 23 27.925 -18.095 -18.989 183 HB2 ALA 23 2HB ALA 23 27.415 -16.407 -18.931 184 HB3 ALA 23 3HB ALA 23 28.368 -16.994 -20.294 185 H ILE 24 H ILE 24 31.826 -15.819 -18.841 186 HA ILE 24 HA ILE 24 31.099 -13.017 -18.772 187 HB ILE 24 HB ILE 24 33.791 -14.313 -19.216 188 HG12 ILE 24 2HG1 ILE 24 34.036 -13.236 -16.808 189 HG13 ILE 24 3HG1 ILE 24 32.287 -13.434 -16.788 190 HG21 ILE 24 1HG2 ILE 24 32.878 -11.499 -19.161 191 HG22 ILE 24 2HG2 ILE 24 34.389 -11.868 -18.331 192 HG23 ILE 24 3HG2 ILE 24 34.210 -12.244 -20.045 193 HD11 ILE 24 3HD1 ILE 24 34.139 -15.698 -17.443 194 HD12 ILE 24 1HD1 ILE 24 33.682 -15.298 -15.787 195 HD13 ILE 24 2HD1 ILE 24 32.446 -15.764 -16.956 196 H LYS 25 H LYS 25 31.765 -15.451 -21.132 197 HA LYS 25 HA LYS 25 32.584 -13.873 -23.295 198 HB2 LYS 25 2HB LYS 25 30.858 -16.339 -23.510 199 HB3 LYS 25 3HB LYS 25 32.008 -15.725 -24.691 200 HG2 LYS 25 2HG LYS 25 33.522 -17.088 -23.831 201 HG3 LYS 25 3HG LYS 25 33.483 -16.128 -22.351 202 HD2 LYS 25 2HD LYS 25 31.765 -17.536 -21.423 203 HD3 LYS 25 3HD LYS 25 31.619 -18.426 -22.941 204 HE2 LYS 25 2HE LYS 25 33.566 -19.583 -22.606 205 HE3 LYS 25 3HE LYS 25 34.286 -18.303 -21.630 206 HZ1 LYS 25 3HZ LYS 25 32.595 -18.919 -19.889 207 HZ2 LYS 25 1HZ LYS 25 33.814 -20.059 -20.166 208 HZ3 LYS 25 2HZ LYS 25 32.267 -20.305 -20.803 209 H GLU 26 H GLU 26 29.312 -15.168 -22.684 210 HA GLU 26 HA GLU 26 28.004 -13.712 -24.661 211 HB2 GLU 26 2HB GLU 26 25.953 -14.244 -23.520 212 HB3 GLU 26 3HB GLU 26 27.035 -15.623 -23.391 213 HG2 GLU 26 2HG GLU 26 27.671 -14.792 -21.115 214 HG3 GLU 26 3HG GLU 26 26.375 -13.607 -21.264 215 H GLY 27 H GLY 27 29.073 -12.752 -21.492 216 HA2 GLY 27 2HA GLY 27 29.439 -10.245 -21.438 217 HA3 GLY 27 3HA GLY 27 27.733 -10.145 -21.848 218 H ASN 28 H ASN 28 29.929 -10.075 -19.356 219 HA ASN 28 HA ASN 28 28.750 -11.398 -17.242 220 HB2 ASN 28 2HB ASN 28 30.536 -9.060 -17.525 221 HB3 ASN 28 3HB ASN 28 29.673 -9.173 -15.994 222 HD21 ASN 28 1HD2 ASN 28 29.873 -11.191 -14.803 223 HD22 ASN 28 2HD2 ASN 28 31.353 -12.077 -14.904 224 H LYS 29 H LYS 29 26.876 -11.219 -16.213 225 HA LYS 29 HA LYS 29 25.017 -9.145 -16.916 226 HB2 LYS 29 2HB LYS 29 24.944 -11.706 -15.493 227 HB3 LYS 29 3HB LYS 29 23.885 -10.487 -14.796 228 HG2 LYS 29 2HG LYS 29 22.396 -10.789 -16.403 229 HG3 LYS 29 3HG LYS 29 23.611 -10.493 -17.648 230 HD2 LYS 29 2HD LYS 29 24.348 -12.940 -17.095 231 HD3 LYS 29 3HD LYS 29 22.713 -13.076 -16.444 232 HE2 LYS 29 2HE LYS 29 23.444 -12.238 -19.248 233 HE3 LYS 29 3HE LYS 29 22.807 -13.811 -18.771 234 HZ1 LYS 29 3HZ LYS 29 20.862 -12.451 -17.839 235 HZ2 LYS 29 1HZ LYS 29 20.951 -12.675 -19.514 236 HZ3 LYS 29 2HZ LYS 29 21.431 -11.204 -18.831 237 H ASP 30 H ASP 30 27.549 -9.214 -14.816 238 HA ASP 30 HA ASP 30 26.500 -6.940 -13.339 239 HB2 ASP 30 2HB ASP 30 27.079 -7.819 -11.157 240 HB3 ASP 30 3HB ASP 30 25.954 -8.923 -11.942 241 H LYS 31 H LYS 31 28.336 -6.815 -15.320 242 HA LYS 31 HA LYS 31 31.024 -7.013 -14.367 243 HB2 LYS 31 2HB LYS 31 31.571 -5.744 -16.454 244 HB3 LYS 31 3HB LYS 31 30.646 -7.215 -16.725 245 HG2 LYS 31 2HG LYS 31 29.245 -5.994 -17.931 246 HG3 LYS 31 3HG LYS 31 28.724 -5.234 -16.425 247 HD2 LYS 31 2HD LYS 31 30.915 -3.779 -16.890 248 HD3 LYS 31 3HD LYS 31 30.519 -4.215 -18.554 249 HE2 LYS 31 2HE LYS 31 28.529 -3.064 -18.524 250 HE3 LYS 31 3HE LYS 31 28.354 -3.199 -16.775 251 HZ1 LYS 31 3HZ LYS 31 30.518 -1.574 -17.948 252 HZ2 LYS 31 1HZ LYS 31 29.816 -1.461 -16.412 253 HZ3 LYS 31 2HZ LYS 31 28.962 -0.936 -17.774 254 H TRP 32 H TRP 32 28.547 -4.614 -14.225 255 HA TRP 32 HA TRP 32 30.138 -2.310 -13.906 256 HD1 TRP 32 HD1 TRP 32 26.250 -4.145 -14.607 257 HE1 TRP 32 HE1 TRP 32 24.647 -5.318 -12.970 258 HE3 TRP 32 HE3 TRP 32 27.807 -1.972 -10.250 259 HZ2 TRP 32 HZ2 TRP 32 24.113 -5.321 -10.198 260 HZ3 TRP 32 HZ3 TRP 32 26.698 -2.615 -8.150 261 HH2 TRP 32 HH2 TRP 32 24.889 -4.254 -8.127 262 HB2 TRP 32 2HB TRP 32 28.085 -1.374 -12.770 263 HB3 TRP 32 3HB TRP 32 27.816 -2.027 -14.384 264 H LYS 33 H LYS 33 29.549 -4.965 -11.842 265 HA LYS 33 HA LYS 33 29.759 -3.804 -9.310 266 HB2 LYS 33 2HB LYS 33 30.812 -6.507 -10.163 267 HB3 LYS 33 3HB LYS 33 30.419 -6.010 -8.522 268 HG2 LYS 33 2HG LYS 33 28.330 -5.957 -10.660 269 HG3 LYS 33 3HG LYS 33 28.744 -7.464 -9.840 270 HD2 LYS 33 2HD LYS 33 28.011 -4.953 -8.353 271 HD3 LYS 33 3HD LYS 33 26.810 -6.141 -8.866 272 HE2 LYS 33 2HE LYS 33 28.906 -7.553 -7.599 273 HE3 LYS 33 3HE LYS 33 28.510 -6.176 -6.572 274 HZ1 LYS 33 3HZ LYS 33 27.046 -7.779 -5.850 275 HZ2 LYS 33 1HZ LYS 33 26.799 -8.425 -7.394 276 HZ3 LYS 33 2HZ LYS 33 26.094 -6.946 -6.974 277 H ASN 34 H ASN 34 32.151 -4.380 -11.745 278 HA ASN 34 HA ASN 34 34.350 -3.912 -9.884 279 HB2 ASN 34 2HB ASN 34 34.059 -5.182 -12.482 280 HB3 ASN 34 3HB ASN 34 35.403 -4.045 -12.463 281 HD21 ASN 34 1HD2 ASN 34 33.981 -6.590 -10.441 282 HD22 ASN 34 2HD2 ASN 34 35.488 -7.285 -9.960 283 H ILE 35 H ILE 35 32.225 -1.947 -11.133 284 HA ILE 35 HA ILE 35 34.152 0.230 -11.442 285 HB ILE 35 HB ILE 35 31.880 -0.193 -13.386 286 HG12 ILE 35 2HG1 ILE 35 34.028 -0.266 -14.955 287 HG13 ILE 35 3HG1 ILE 35 34.786 -0.863 -13.482 288 HG21 ILE 35 1HG2 ILE 35 32.730 1.734 -14.541 289 HG22 ILE 35 2HG2 ILE 35 32.444 2.164 -12.856 290 HG23 ILE 35 3HG2 ILE 35 34.086 1.859 -13.421 291 HD11 ILE 35 3HD1 ILE 35 34.050 -2.879 -14.000 292 HD12 ILE 35 1HD1 ILE 35 32.403 -2.301 -13.753 293 HD13 ILE 35 2HD1 ILE 35 33.127 -2.241 -15.360 Start of MODEL 14 1 HA LYS 1 HA LYS 1 -3.253 -2.107 -2.298 2 H1 LYS 1 H LYS 1 -3.104 -1.359 0.498 3 HB2 LYS 1 2HB LYS 1 -1.054 -0.343 -1.217 4 HB3 LYS 1 3HB LYS 1 -0.906 -1.259 -2.711 5 HG2 LYS 1 2HG LYS 1 -1.625 0.675 -3.613 6 HG3 LYS 1 3HG LYS 1 -3.209 0.009 -3.208 7 HD2 LYS 1 2HD LYS 1 -3.473 1.400 -1.383 8 HD3 LYS 1 3HD LYS 1 -1.736 1.646 -1.189 9 HE2 LYS 1 2HE LYS 1 -1.691 3.364 -2.645 10 HE3 LYS 1 3HE LYS 1 -2.850 2.603 -3.734 11 HZ1 LYS 1 3HZ LYS 1 -4.376 3.199 -1.602 12 HZ2 LYS 1 1HZ LYS 1 -4.229 4.172 -2.978 13 HZ3 LYS 1 2HZ LYS 1 -3.294 4.500 -1.607 14 H LYS 2 H LYS 2 -2.825 -4.203 -2.294 15 HA LYS 2 HA LYS 2 -1.656 -5.604 -0.170 16 HB2 LYS 2 2HB LYS 2 -1.692 -7.531 -1.606 17 HB3 LYS 2 3HB LYS 2 -3.145 -6.589 -1.914 18 HG2 LYS 2 2HG LYS 2 -1.737 -5.541 -3.831 19 HG3 LYS 2 3HG LYS 2 -0.747 -6.990 -3.643 20 HD2 LYS 2 2HD LYS 2 -3.561 -7.643 -3.685 21 HD3 LYS 2 3HD LYS 2 -3.094 -6.737 -5.127 22 HE2 LYS 2 2HE LYS 2 -2.518 -8.781 -5.888 23 HE3 LYS 2 3HE LYS 2 -1.041 -8.469 -4.977 24 HZ1 LYS 2 3HZ LYS 2 -3.314 -9.734 -3.615 25 HZ2 LYS 2 1HZ LYS 2 -1.656 -9.891 -3.313 26 HZ3 LYS 2 2HZ LYS 2 -2.351 -10.673 -4.641 27 H TRP 3 H TRP 3 -0.248 -3.988 -2.895 28 HA TRP 3 HA TRP 3 1.900 -3.646 -3.559 29 HD1 TRP 3 HD1 TRP 3 1.966 -1.533 -3.285 30 HE1 TRP 3 HE1 TRP 3 1.522 0.692 -2.070 31 HE3 TRP 3 HE3 TRP 3 2.618 -3.098 1.538 32 HZ2 TRP 3 HZ2 TRP 3 1.458 1.657 0.582 33 HZ3 TRP 3 HZ3 TRP 3 2.348 -1.462 3.356 34 HH2 TRP 3 HH2 TRP 3 1.780 0.866 2.886 35 HB2 TRP 3 2HB TRP 3 2.328 -4.303 -0.645 36 HB3 TRP 3 3HB TRP 3 3.647 -3.826 -1.710 37 H GLY 4 H GLY 4 0.986 -6.002 -4.443 38 HA2 GLY 4 2HA GLY 4 2.907 -8.087 -3.736 39 HA3 GLY 4 3HA GLY 4 1.502 -8.277 -4.774 40 H TRP 5 H TRP 5 3.466 -5.542 -5.395 41 HA TRP 5 HA TRP 5 4.181 -6.590 -7.982 42 HD1 TRP 5 HD1 TRP 5 2.000 -5.800 -8.146 43 HE1 TRP 5 HE1 TRP 5 0.007 -4.181 -8.320 44 HE3 TRP 5 HE3 TRP 5 4.425 -1.414 -7.136 45 HZ2 TRP 5 HZ2 TRP 5 -0.474 -1.412 -8.063 46 HZ3 TRP 5 HZ3 TRP 5 3.126 0.675 -7.119 47 HH2 TRP 5 HH2 TRP 5 0.727 0.674 -7.574 48 HB2 TRP 5 2HB TRP 5 4.980 -3.960 -6.719 49 HB3 TRP 5 3HB TRP 5 5.064 -4.376 -8.428 50 H LEU 6 H LEU 6 6.086 -5.200 -5.300 51 HA LEU 6 HA LEU 6 8.574 -6.077 -6.324 52 HG LEU 6 HG LEU 6 6.771 -5.818 -3.178 53 HB2 LEU 6 2HB LEU 6 9.469 -5.471 -4.137 54 HB3 LEU 6 3HB LEU 6 8.412 -4.217 -4.781 55 HD11 LEU 6 1HD1 LEU 6 8.651 -6.858 -2.126 56 HD12 LEU 6 2HD1 LEU 6 7.962 -5.691 -0.997 57 HD13 LEU 6 3HD1 LEU 6 9.439 -5.299 -1.878 58 HD21 LEU 6 3HD2 LEU 6 6.910 -3.763 -1.672 59 HD22 LEU 6 1HD2 LEU 6 6.390 -3.510 -3.339 60 HD23 LEU 6 2HD2 LEU 6 8.041 -3.115 -2.861 61 H ALA 7 H ALA 7 6.137 -7.593 -4.385 62 HA ALA 7 HA ALA 7 7.719 -9.612 -3.196 63 HB1 ALA 7 1HB ALA 7 5.672 -9.385 -2.171 64 HB2 ALA 7 2HB ALA 7 4.800 -9.253 -3.699 65 HB3 ALA 7 3HB ALA 7 5.404 -10.820 -3.161 66 H TRP 8 H TRP 8 6.294 -9.256 -6.351 67 HA TRP 8 HA TRP 8 6.777 -12.042 -7.040 68 HD1 TRP 8 HD1 TRP 8 4.429 -11.253 -5.801 69 HE1 TRP 8 HE1 TRP 8 2.185 -12.508 -5.916 70 HE3 TRP 8 HE3 TRP 8 4.101 -11.866 -10.866 71 HZ2 TRP 8 HZ2 TRP 8 0.499 -13.612 -7.893 72 HZ3 TRP 8 HZ3 TRP 8 2.141 -13.032 -11.788 73 HH2 TRP 8 HH2 TRP 8 0.379 -13.887 -10.331 74 HB2 TRP 8 2HB TRP 8 5.477 -9.724 -8.441 75 HB3 TRP 8 3HB TRP 8 5.945 -11.163 -9.342 76 H VAL 9 H VAL 9 8.220 -8.911 -7.455 77 HA VAL 9 HA VAL 9 9.950 -9.637 -9.616 78 HB VAL 9 HB VAL 9 10.172 -7.345 -7.659 79 HG11 VAL 9 1HG1 VAL 9 11.594 -7.910 -10.254 80 HG12 VAL 9 2HG1 VAL 9 11.582 -6.332 -9.463 81 HG13 VAL 9 3HG1 VAL 9 12.309 -7.720 -8.653 82 HG21 VAL 9 3HG2 VAL 9 9.407 -6.655 -10.353 83 HG22 VAL 9 1HG2 VAL 9 8.270 -7.804 -9.646 84 HG23 VAL 9 2HG2 VAL 9 8.606 -6.278 -8.827 85 H ASP 10 H ASP 10 10.058 -9.927 -6.167 86 HA ASP 10 HA ASP 10 12.822 -10.097 -5.753 87 HB2 ASP 10 2HB ASP 10 10.398 -10.761 -4.271 88 HB3 ASP 10 3HB ASP 10 11.723 -11.870 -3.926 89 HA PRO 11 HA PRO 11 12.452 -14.874 -6.325 90 HB2 PRO 11 2HB PRO 11 10.106 -15.845 -7.288 91 HB3 PRO 11 3HB PRO 11 10.421 -15.629 -5.562 92 HG2 PRO 11 2HG PRO 11 8.908 -13.863 -7.447 93 HG3 PRO 11 3HG PRO 11 8.499 -14.339 -5.789 94 HD2 PRO 11 2HD PRO 11 9.595 -11.936 -6.387 95 HD3 PRO 11 3HD PRO 11 9.917 -12.779 -4.858 96 H ALA 12 H ALA 12 10.820 -12.758 -8.594 97 HA ALA 12 HA ALA 12 11.354 -14.335 -10.916 98 HB1 ALA 12 1HB ALA 12 9.530 -12.614 -10.691 99 HB2 ALA 12 2HB ALA 12 10.782 -11.382 -10.855 100 HB3 ALA 12 3HB ALA 12 10.487 -12.520 -12.170 101 H TYR 13 H TYR 13 12.764 -11.300 -9.681 102 HA TYR 13 HA TYR 13 14.779 -11.065 -11.604 103 HD1 TYR 13 HD2 TYR 13 15.719 -8.209 -11.718 104 HD2 TYR 13 HD1 TYR 13 17.130 -10.307 -8.296 105 HE1 TYR 13 HE2 TYR 13 17.948 -7.221 -12.039 106 HE2 TYR 13 HE1 TYR 13 19.363 -9.323 -8.606 107 HH TYR 13 HH TYR 13 20.002 -7.006 -11.220 108 HB2 TYR 13 2HB TYR 13 14.165 -9.218 -10.134 109 HB3 TYR 13 3HB TYR 13 14.755 -10.107 -8.734 110 H GLU 14 H GLU 14 14.968 -12.415 -8.311 111 HA GLU 14 HA GLU 14 17.618 -13.189 -8.313 112 HB2 GLU 14 2HB GLU 14 17.093 -14.647 -6.518 113 HB3 GLU 14 3HB GLU 14 15.978 -13.294 -6.390 114 HG2 GLU 14 2HG GLU 14 14.215 -14.620 -7.401 115 HG3 GLU 14 3HG GLU 14 15.329 -15.971 -7.602 116 H PHE 15 H PHE 15 14.881 -14.678 -9.881 117 HA PHE 15 HA PHE 15 16.141 -17.175 -10.432 118 HD1 PHE 15 HD1 PHE 15 15.151 -19.020 -10.266 119 HD2 PHE 15 HD2 PHE 15 13.033 -17.442 -13.604 120 HE1 PHE 15 HE1 PHE 15 14.922 -21.289 -11.189 121 HE2 PHE 15 HE2 PHE 15 12.800 -19.709 -14.532 122 HZ PHE 15 HZ PHE 15 13.744 -21.636 -13.324 123 HB2 PHE 15 2HB PHE 15 13.625 -16.629 -10.429 124 HB3 PHE 15 3HB PHE 15 13.893 -15.993 -12.049 125 H ILE 16 H ILE 16 15.788 -14.138 -12.188 126 HA ILE 16 HA ILE 16 16.849 -15.024 -14.648 127 HB ILE 16 HB ILE 16 16.881 -12.240 -13.477 128 HG12 ILE 16 2HG1 ILE 16 14.620 -13.226 -13.671 129 HG13 ILE 16 3HG1 ILE 16 14.851 -11.874 -14.773 130 HG21 ILE 16 1HG2 ILE 16 17.885 -13.346 -15.975 131 HG22 ILE 16 2HG2 ILE 16 16.752 -12.017 -16.214 132 HG23 ILE 16 3HG2 ILE 16 18.192 -11.780 -15.225 133 HD11 ILE 16 3HD1 ILE 16 15.262 -13.472 -16.597 134 HD12 ILE 16 1HD1 ILE 16 14.935 -14.796 -15.479 135 HD13 ILE 16 2HD1 ILE 16 13.660 -13.644 -15.880 136 H LYS 17 H LYS 17 18.358 -13.458 -11.844 137 HA LYS 17 HA LYS 17 20.955 -13.305 -12.954 138 HB2 LYS 17 2HB LYS 17 21.697 -12.909 -10.639 139 HB3 LYS 17 3HB LYS 17 20.302 -11.924 -11.060 140 HG2 LYS 17 2HG LYS 17 18.842 -13.474 -9.867 141 HG3 LYS 17 3HG LYS 17 20.238 -14.470 -9.451 142 HD2 LYS 17 2HD LYS 17 19.871 -11.583 -8.654 143 HD3 LYS 17 3HD LYS 17 19.541 -12.970 -7.613 144 HE2 LYS 17 2HE LYS 17 22.115 -13.403 -8.575 145 HE3 LYS 17 3HE LYS 17 22.054 -11.674 -8.232 146 HZ1 LYS 17 3HZ LYS 17 21.879 -13.938 -6.402 147 HZ2 LYS 17 1HZ LYS 17 20.926 -12.588 -6.038 148 HZ3 LYS 17 2HZ LYS 17 22.603 -12.425 -6.185 149 H GLY 18 H GLY 18 19.184 -15.852 -11.391 150 HA2 GLY 18 2HA GLY 18 21.519 -17.457 -10.829 151 HA3 GLY 18 3HA GLY 18 19.842 -17.948 -10.640 152 H PHE 19 H PHE 19 18.997 -17.373 -13.298 153 HA PHE 19 HA PHE 19 19.797 -19.796 -14.563 154 HD1 PHE 19 HD2 PHE 19 16.805 -20.043 -13.805 155 HD2 PHE 19 HD1 PHE 19 18.235 -19.872 -17.810 156 HE1 PHE 19 HE2 PHE 19 15.626 -22.142 -14.312 157 HE2 PHE 19 HE1 PHE 19 17.057 -21.970 -18.324 158 HZ PHE 19 HZ PHE 19 15.751 -23.109 -16.574 159 HB2 PHE 19 2HB PHE 19 17.681 -17.943 -14.824 160 HB3 PHE 19 3HB PHE 19 18.480 -18.009 -16.391 161 H GLY 20 H GLY 20 20.789 -16.471 -14.803 162 HA2 GLY 20 2HA GLY 20 22.777 -17.279 -16.825 163 HA3 GLY 20 3HA GLY 20 21.860 -15.793 -17.026 164 H LYS 21 H LYS 21 23.454 -17.260 -14.201 165 HA LYS 21 HA LYS 21 24.367 -14.814 -13.168 166 HB2 LYS 21 2HB LYS 21 25.708 -16.140 -11.644 167 HB3 LYS 21 3HB LYS 21 24.123 -16.879 -11.832 168 HG2 LYS 21 2HG LYS 21 26.079 -17.904 -13.726 169 HG3 LYS 21 3HG LYS 21 26.541 -18.160 -12.041 170 HD2 LYS 21 2HD LYS 21 23.807 -18.848 -13.093 171 HD3 LYS 21 3HD LYS 21 25.155 -19.988 -13.135 172 HE2 LYS 21 2HE LYS 21 24.998 -18.844 -10.528 173 HE3 LYS 21 3HE LYS 21 23.396 -19.416 -10.990 174 HZ1 LYS 21 3HZ LYS 21 25.147 -21.398 -11.758 175 HZ2 LYS 21 1HZ LYS 21 24.084 -21.435 -10.443 176 HZ3 LYS 21 2HZ LYS 21 25.679 -20.917 -10.226 177 H GLY 22 H GLY 22 25.548 -16.753 -15.724 178 HA2 GLY 22 2HA GLY 22 28.278 -15.798 -15.560 179 HA3 GLY 22 3HA GLY 22 27.599 -16.811 -16.825 180 H ALA 23 H ALA 23 25.781 -15.538 -18.095 181 HA ALA 23 HA ALA 23 25.464 -13.984 -19.736 182 HB1 ALA 23 1HB ALA 23 24.931 -11.914 -18.946 183 HB2 ALA 23 2HB ALA 23 24.995 -12.794 -17.419 184 HB3 ALA 23 3HB ALA 23 26.366 -11.809 -17.927 185 H ILE 24 H ILE 24 28.008 -15.194 -19.803 186 HA ILE 24 HA ILE 24 30.083 -13.273 -20.110 187 HB ILE 24 HB ILE 24 29.927 -16.058 -21.266 188 HG12 ILE 24 2HG1 ILE 24 29.653 -16.110 -18.845 189 HG13 ILE 24 3HG1 ILE 24 31.248 -16.715 -19.279 190 HG21 ILE 24 1HG2 ILE 24 32.139 -14.061 -20.983 191 HG22 ILE 24 2HG2 ILE 24 32.483 -15.789 -21.033 192 HG23 ILE 24 3HG2 ILE 24 31.670 -15.013 -22.391 193 HD11 ILE 24 3HD1 ILE 24 32.135 -14.424 -18.770 194 HD12 ILE 24 1HD1 ILE 24 30.547 -14.043 -18.104 195 HD13 ILE 24 2HD1 ILE 24 31.519 -15.329 -17.388 196 H LYS 25 H LYS 25 27.561 -14.434 -22.166 197 HA LYS 25 HA LYS 25 28.710 -13.820 -24.674 198 HB2 LYS 25 2HB LYS 25 26.353 -13.828 -25.489 199 HB3 LYS 25 3HB LYS 25 26.787 -15.261 -24.568 200 HG2 LYS 25 2HG LYS 25 24.969 -14.916 -23.352 201 HG3 LYS 25 3HG LYS 25 25.775 -13.498 -22.675 202 HD2 LYS 25 2HD LYS 25 24.575 -12.043 -23.945 203 HD3 LYS 25 3HD LYS 25 24.455 -13.161 -25.305 204 HE2 LYS 25 2HE LYS 25 23.002 -13.747 -22.760 205 HE3 LYS 25 3HE LYS 25 22.338 -12.577 -23.898 206 HZ1 LYS 25 3HZ LYS 25 23.191 -15.113 -25.030 207 HZ2 LYS 25 1HZ LYS 25 21.829 -14.173 -25.381 208 HZ3 LYS 25 2HZ LYS 25 21.835 -15.178 -24.020 209 H GLU 26 H GLU 26 27.127 -11.892 -22.245 210 HA GLU 26 HA GLU 26 26.518 -9.652 -23.873 211 HB2 GLU 26 2HB GLU 26 27.007 -9.803 -20.893 212 HB3 GLU 26 3HB GLU 26 26.303 -8.430 -21.735 213 HG2 GLU 26 2HG GLU 26 25.015 -11.075 -22.092 214 HG3 GLU 26 3HG GLU 26 24.823 -10.264 -20.539 215 H GLY 27 H GLY 27 29.404 -10.736 -22.254 216 HA2 GLY 27 2HA GLY 27 31.533 -9.957 -23.128 217 HA3 GLY 27 3HA GLY 27 30.807 -8.368 -23.320 218 H ASN 28 H ASN 28 31.483 -10.767 -20.774 219 HA ASN 28 HA ASN 28 31.569 -8.742 -18.735 220 HB2 ASN 28 2HB ASN 28 31.963 -11.704 -18.823 221 HB3 ASN 28 3HB ASN 28 32.577 -10.812 -17.435 222 HD21 ASN 28 1HD2 ASN 28 30.956 -12.290 -16.416 223 HD22 ASN 28 2HD2 ASN 28 29.339 -11.701 -16.264 224 H LYS 29 H LYS 29 33.267 -7.687 -20.335 225 HA LYS 29 HA LYS 29 35.956 -8.656 -20.079 226 HB2 LYS 29 2HB LYS 29 34.721 -6.161 -21.216 227 HB3 LYS 29 3HB LYS 29 36.465 -6.314 -21.052 228 HG2 LYS 29 2HG LYS 29 36.593 -7.518 -22.905 229 HG3 LYS 29 3HG LYS 29 35.380 -8.655 -22.312 230 HD2 LYS 29 2HD LYS 29 33.632 -6.981 -23.012 231 HD3 LYS 29 3HD LYS 29 34.923 -6.082 -23.813 232 HE2 LYS 29 2HE LYS 29 34.659 -8.983 -24.405 233 HE3 LYS 29 3HE LYS 29 33.461 -7.887 -25.092 234 HZ1 LYS 29 3HZ LYS 29 35.090 -7.939 -26.701 235 HZ2 LYS 29 1HZ LYS 29 36.362 -8.004 -25.587 236 HZ3 LYS 29 2HZ LYS 29 35.524 -6.555 -25.830 237 H ASP 30 H ASP 30 33.898 -6.498 -18.318 238 HA ASP 30 HA ASP 30 35.952 -6.196 -16.287 239 HB2 ASP 30 2HB ASP 30 35.887 -3.812 -16.191 240 HB3 ASP 30 3HB ASP 30 36.186 -4.243 -17.872 241 H LYS 31 H LYS 31 33.540 -7.668 -16.344 242 HA LYS 31 HA LYS 31 31.389 -6.314 -15.116 243 HB2 LYS 31 2HB LYS 31 30.512 -8.525 -14.612 244 HB3 LYS 31 3HB LYS 31 31.156 -8.492 -16.248 245 HG2 LYS 31 2HG LYS 31 32.029 -10.464 -15.545 246 HG3 LYS 31 3HG LYS 31 33.325 -9.382 -15.031 247 HD2 LYS 31 2HD LYS 31 31.637 -9.320 -12.880 248 HD3 LYS 31 3HD LYS 31 31.464 -10.986 -13.437 249 HE2 LYS 31 2HE LYS 31 34.203 -9.844 -13.222 250 HE3 LYS 31 3HE LYS 31 33.360 -10.275 -11.735 251 HZ1 LYS 31 3HZ LYS 31 34.812 -11.987 -13.178 252 HZ2 LYS 31 1HZ LYS 31 33.277 -12.275 -13.828 253 HZ3 LYS 31 2HZ LYS 31 33.539 -12.456 -12.167 254 H TRP 32 H TRP 32 34.381 -7.494 -13.904 255 HA TRP 32 HA TRP 32 33.653 -7.883 -11.197 256 HD1 TRP 32 HD1 TRP 32 36.510 -8.324 -14.484 257 HE1 TRP 32 HE1 TRP 32 38.168 -6.620 -15.470 258 HE3 TRP 32 HE3 TRP 32 36.981 -5.221 -10.448 259 HZ2 TRP 32 HZ2 TRP 32 39.500 -4.271 -14.646 260 HZ3 TRP 32 HZ3 TRP 32 38.467 -3.268 -10.629 261 HH2 TRP 32 HH2 TRP 32 39.700 -2.805 -12.685 262 HB2 TRP 32 2HB TRP 32 36.110 -7.647 -10.764 263 HB3 TRP 32 3HB TRP 32 35.710 -8.827 -12.009 264 H LYS 33 H LYS 33 34.225 -5.065 -13.089 265 HA LYS 33 HA LYS 33 35.038 -3.242 -11.133 266 HB2 LYS 33 2HB LYS 33 33.270 -2.709 -13.527 267 HB3 LYS 33 3HB LYS 33 34.187 -1.506 -12.630 268 HG2 LYS 33 2HG LYS 33 35.663 -3.797 -13.808 269 HG3 LYS 33 3HG LYS 33 35.075 -2.531 -14.888 270 HD2 LYS 33 2HD LYS 33 36.729 -1.999 -12.425 271 HD3 LYS 33 3HD LYS 33 37.411 -2.196 -14.040 272 HE2 LYS 33 2HE LYS 33 37.007 -0.056 -14.469 273 HE3 LYS 33 3HE LYS 33 35.283 -0.332 -14.221 274 HZ1 LYS 33 3HZ LYS 33 35.725 1.265 -12.661 275 HZ2 LYS 33 1HZ LYS 33 37.287 0.701 -12.339 276 HZ3 LYS 33 2HZ LYS 33 35.946 -0.130 -11.730 277 H ASN 34 H ASN 34 31.960 -4.702 -11.734 278 HA ASN 34 HA ASN 34 30.569 -2.785 -10.027 279 HB2 ASN 34 2HB ASN 34 29.784 -4.738 -12.069 280 HB3 ASN 34 3HB ASN 34 28.731 -4.734 -10.658 281 HD21 ASN 34 1HD2 ASN 34 30.477 -2.189 -12.407 282 HD22 ASN 34 2HD2 ASN 34 29.090 -1.199 -12.692 283 H ILE 35 H ILE 35 32.466 -5.371 -9.518 284 HA ILE 35 HA ILE 35 32.720 -6.928 -7.870 285 HB ILE 35 HB ILE 35 31.112 -4.927 -6.278 286 HG12 ILE 35 2HG1 ILE 35 33.110 -3.956 -7.373 287 HG13 ILE 35 3HG1 ILE 35 33.259 -3.987 -5.619 288 HG21 ILE 35 1HG2 ILE 35 32.808 -6.042 -4.512 289 HG22 ILE 35 2HG2 ILE 35 31.166 -6.619 -4.788 290 HG23 ILE 35 3HG2 ILE 35 32.524 -7.417 -5.580 291 HD11 ILE 35 3HD1 ILE 35 34.658 -5.987 -5.786 292 HD12 ILE 35 1HD1 ILE 35 34.529 -5.919 -7.543 293 HD13 ILE 35 2HD1 ILE 35 35.341 -4.621 -6.668 Start of MODEL 15 1 HA LYS 1 HA LYS 1 -5.907 -3.693 -2.653 2 H1 LYS 1 H LYS 1 -4.341 -2.081 -0.746 3 HB2 LYS 1 2HB LYS 1 -3.442 -2.038 -3.044 4 HB3 LYS 1 3HB LYS 1 -3.702 -3.454 -4.054 5 HG2 LYS 1 2HG LYS 1 -4.785 -2.026 -5.389 6 HG3 LYS 1 3HG LYS 1 -6.114 -2.226 -4.245 7 HD2 LYS 1 2HD LYS 1 -6.031 0.007 -4.054 8 HD3 LYS 1 3HD LYS 1 -4.612 -0.281 -3.045 9 HE2 LYS 1 2HE LYS 1 -3.684 -0.356 -5.681 10 HE3 LYS 1 3HE LYS 1 -4.807 1.002 -5.619 11 HZ1 LYS 1 3HZ LYS 1 -2.350 0.580 -4.032 12 HZ2 LYS 1 1HZ LYS 1 -3.545 1.669 -3.533 13 HZ3 LYS 1 2HZ LYS 1 -2.760 1.896 -5.014 14 H LYS 2 H LYS 2 -4.733 -5.618 -3.479 15 HA LYS 2 HA LYS 2 -3.777 -7.190 -1.322 16 HB2 LYS 2 2HB LYS 2 -3.727 -7.718 -4.299 17 HB3 LYS 2 3HB LYS 2 -3.373 -8.916 -3.062 18 HG2 LYS 2 2HG LYS 2 -5.528 -9.325 -2.705 19 HG3 LYS 2 3HG LYS 2 -5.921 -7.606 -2.616 20 HD2 LYS 2 2HD LYS 2 -6.094 -7.455 -4.999 21 HD3 LYS 2 3HD LYS 2 -5.464 -9.091 -5.200 22 HE2 LYS 2 2HE LYS 2 -7.971 -8.567 -3.640 23 HE3 LYS 2 3HE LYS 2 -8.004 -8.718 -5.396 24 HZ1 LYS 2 3HZ LYS 2 -8.442 -10.848 -4.546 25 HZ2 LYS 2 1HZ LYS 2 -7.192 -10.759 -3.410 26 HZ3 LYS 2 2HZ LYS 2 -6.830 -10.904 -5.055 27 H TRP 3 H TRP 3 -2.225 -5.229 -3.720 28 HA TRP 3 HA TRP 3 -0.051 -4.701 -4.127 29 HD1 TRP 3 HD1 TRP 3 0.055 -2.661 -3.763 30 HE1 TRP 3 HE1 TRP 3 -0.489 -0.485 -2.500 31 HE3 TRP 3 HE3 TRP 3 0.141 -4.457 1.023 32 HZ2 TRP 3 HZ2 TRP 3 -0.834 0.359 0.171 33 HZ3 TRP 3 HZ3 TRP 3 -0.305 -2.899 2.875 34 HH2 TRP 3 HH2 TRP 3 -0.782 -0.542 2.456 35 HB2 TRP 3 2HB TRP 3 0.054 -5.558 -1.246 36 HB3 TRP 3 3HB TRP 3 1.516 -5.062 -2.095 37 H GLY 4 H GLY 4 -0.712 -7.002 -5.321 38 HA2 GLY 4 2HA GLY 4 1.264 -9.036 -4.619 39 HA3 GLY 4 3HA GLY 4 -0.016 -9.199 -5.811 40 H TRP 5 H TRP 5 1.817 -6.309 -5.958 41 HA TRP 5 HA TRP 5 2.851 -7.047 -8.544 42 HD1 TRP 5 HD1 TRP 5 0.649 -6.372 -8.862 43 HE1 TRP 5 HE1 TRP 5 -1.423 -4.862 -9.090 44 HE3 TRP 5 HE3 TRP 5 2.660 -1.978 -7.193 45 HZ2 TRP 5 HZ2 TRP 5 -2.113 -2.165 -8.625 46 HZ3 TRP 5 HZ3 TRP 5 1.227 0.021 -7.116 47 HH2 TRP 5 HH2 TRP 5 -1.110 -0.073 -7.818 48 HB2 TRP 5 2HB TRP 5 3.341 -4.516 -6.962 49 HB3 TRP 5 3HB TRP 5 3.623 -4.752 -8.685 50 H LEU 6 H LEU 6 4.382 -5.827 -5.557 51 HA LEU 6 HA LEU 6 7.016 -6.413 -6.377 52 HG LEU 6 HG LEU 6 4.792 -6.599 -3.520 53 HB2 LEU 6 2HB LEU 6 7.553 -6.178 -3.943 54 HB3 LEU 6 3HB LEU 6 6.708 -4.811 -4.666 55 HD11 LEU 6 1HD1 LEU 6 6.444 -7.438 -2.039 56 HD12 LEU 6 2HD1 LEU 6 5.494 -6.260 -1.133 57 HD13 LEU 6 3HD1 LEU 6 7.092 -5.825 -1.741 58 HD21 LEU 6 3HD2 LEU 6 4.622 -4.429 -2.008 59 HD22 LEU 6 1HD2 LEU 6 4.061 -4.448 -3.680 60 HD23 LEU 6 2HD2 LEU 6 5.638 -3.762 -3.287 61 H ALA 7 H ALA 7 4.522 -8.342 -4.943 62 HA ALA 7 HA ALA 7 6.110 -10.392 -3.835 63 HB1 ALA 7 1HB ALA 7 4.116 -11.046 -3.123 64 HB2 ALA 7 2HB ALA 7 3.343 -9.863 -4.179 65 HB3 ALA 7 3HB ALA 7 3.668 -11.493 -4.769 66 H TRP 8 H TRP 8 5.069 -9.711 -7.089 67 HA TRP 8 HA TRP 8 5.895 -12.328 -8.054 68 HD1 TRP 8 HD1 TRP 8 3.217 -11.785 -7.115 69 HE1 TRP 8 HE1 TRP 8 1.221 -13.284 -7.744 70 HE3 TRP 8 HE3 TRP 8 3.960 -12.049 -12.166 71 HZ2 TRP 8 HZ2 TRP 8 0.108 -14.427 -10.073 72 HZ3 TRP 8 HZ3 TRP 8 2.385 -13.366 -13.522 73 HH2 TRP 8 HH2 TRP 8 0.500 -14.530 -12.495 74 HB2 TRP 8 2HB TRP 8 4.557 -9.947 -9.293 75 HB3 TRP 8 3HB TRP 8 5.303 -11.168 -10.320 76 H VAL 9 H VAL 9 7.108 -9.093 -7.814 77 HA VAL 9 HA VAL 9 9.188 -9.436 -9.778 78 HB VAL 9 HB VAL 9 8.847 -7.300 -7.668 79 HG11 VAL 9 1HG1 VAL 9 10.865 -7.749 -9.803 80 HG12 VAL 9 2HG1 VAL 9 10.338 -6.095 -9.489 81 HG13 VAL 9 3HG1 VAL 9 11.056 -7.054 -8.194 82 HG21 VAL 9 3HG2 VAL 9 8.294 -7.049 -10.611 83 HG22 VAL 9 1HG2 VAL 9 7.054 -7.545 -9.459 84 HG23 VAL 9 2HG2 VAL 9 7.817 -5.963 -9.307 85 H ASP 10 H ASP 10 8.813 -9.918 -6.356 86 HA ASP 10 HA ASP 10 11.440 -9.846 -5.476 87 HB2 ASP 10 2HB ASP 10 8.928 -11.004 -4.550 88 HB3 ASP 10 3HB ASP 10 10.326 -11.965 -4.074 89 HA PRO 11 HA PRO 11 11.917 -14.521 -6.572 90 HB2 PRO 11 2HB PRO 11 9.951 -15.671 -8.051 91 HB3 PRO 11 3HB PRO 11 9.925 -15.631 -6.284 92 HG2 PRO 11 2HG PRO 11 8.507 -13.863 -8.240 93 HG3 PRO 11 3HG PRO 11 7.896 -14.592 -6.743 94 HD2 PRO 11 2HD PRO 11 8.694 -12.008 -6.885 95 HD3 PRO 11 3HD PRO 11 8.874 -12.983 -5.413 96 H ALA 12 H ALA 12 10.668 -12.173 -8.763 97 HA ALA 12 HA ALA 12 11.551 -13.386 -11.188 98 HB1 ALA 12 1HB ALA 12 11.193 -10.432 -10.858 99 HB2 ALA 12 2HB ALA 12 10.853 -11.449 -12.259 100 HB3 ALA 12 3HB ALA 12 9.802 -11.517 -10.845 101 H TYR 13 H TYR 13 12.766 -10.450 -9.560 102 HA TYR 13 HA TYR 13 15.120 -10.188 -10.975 103 HD1 TYR 13 HD2 TYR 13 14.176 -7.228 -10.729 104 HD2 TYR 13 HD1 TYR 13 17.585 -8.766 -8.699 105 HE1 TYR 13 HE2 TYR 13 15.549 -5.420 -11.676 106 HE2 TYR 13 HE1 TYR 13 18.967 -6.961 -9.640 107 HH TYR 13 HH TYR 13 18.608 -4.647 -10.539 108 HB2 TYR 13 2HB TYR 13 13.946 -8.843 -8.900 109 HB3 TYR 13 3HB TYR 13 15.370 -9.523 -8.121 110 H GLU 14 H GLU 14 14.615 -11.923 -7.909 111 HA GLU 14 HA GLU 14 17.197 -12.775 -7.438 112 HB2 GLU 14 2HB GLU 14 14.547 -14.088 -6.866 113 HB3 GLU 14 3HB GLU 14 16.069 -14.794 -6.341 114 HG2 GLU 14 2HG GLU 14 16.422 -12.362 -5.352 115 HG3 GLU 14 3HG GLU 14 14.660 -12.377 -5.371 116 H PHE 15 H PHE 15 14.784 -14.123 -9.617 117 HA PHE 15 HA PHE 15 16.277 -16.460 -10.275 118 HD1 PHE 15 HD1 PHE 15 14.507 -17.359 -9.017 119 HD2 PHE 15 HD2 PHE 15 13.648 -17.790 -13.164 120 HE1 PHE 15 HE1 PHE 15 13.906 -19.715 -8.644 121 HE2 PHE 15 HE2 PHE 15 13.045 -20.147 -12.797 122 HZ PHE 15 HZ PHE 15 13.173 -21.113 -10.535 123 HB2 PHE 15 2HB PHE 15 13.710 -15.365 -10.905 124 HB3 PHE 15 3HB PHE 15 14.519 -15.805 -12.406 125 H ILE 16 H ILE 16 15.909 -13.265 -11.734 126 HA ILE 16 HA ILE 16 17.368 -13.790 -14.091 127 HB ILE 16 HB ILE 16 16.997 -11.158 -12.656 128 HG12 ILE 16 2HG1 ILE 16 14.877 -12.280 -13.265 129 HG13 ILE 16 3HG1 ILE 16 15.133 -10.801 -14.185 130 HG21 ILE 16 1HG2 ILE 16 17.236 -10.489 -15.238 131 HG22 ILE 16 2HG2 ILE 16 18.604 -10.557 -14.129 132 HG23 ILE 16 3HG2 ILE 16 18.276 -11.913 -15.208 133 HD11 ILE 16 3HD1 ILE 16 14.537 -13.338 -15.170 134 HD12 ILE 16 1HD1 ILE 16 14.982 -11.904 -16.094 135 HD13 ILE 16 2HD1 ILE 16 16.225 -13.050 -15.591 136 H LYS 17 H LYS 17 18.336 -12.464 -10.948 137 HA LYS 17 HA LYS 17 21.035 -11.979 -11.646 138 HB2 LYS 17 2HB LYS 17 21.421 -11.786 -9.234 139 HB3 LYS 17 3HB LYS 17 19.977 -10.908 -9.719 140 HG2 LYS 17 2HG LYS 17 18.573 -12.698 -8.886 141 HG3 LYS 17 3HG LYS 17 20.001 -13.647 -8.465 142 HD2 LYS 17 2HD LYS 17 20.456 -11.237 -7.210 143 HD3 LYS 17 3HD LYS 17 18.715 -11.461 -7.028 144 HE2 LYS 17 2HE LYS 17 19.707 -12.479 -5.141 145 HE3 LYS 17 3HE LYS 17 19.229 -13.796 -6.210 146 HZ1 LYS 17 3HZ LYS 17 21.798 -13.160 -5.229 147 HZ2 LYS 17 1HZ LYS 17 21.814 -13.093 -6.919 148 HZ3 LYS 17 2HZ LYS 17 21.311 -14.504 -6.133 149 H GLY 18 H GLY 18 19.310 -14.828 -10.675 150 HA2 GLY 18 2HA GLY 18 21.709 -16.304 -9.989 151 HA3 GLY 18 3HA GLY 18 20.069 -16.935 -10.033 152 H PHE 19 H PHE 19 19.498 -16.061 -12.718 153 HA PHE 19 HA PHE 19 20.590 -18.291 -14.127 154 HD1 PHE 19 HD2 PHE 19 19.613 -18.540 -17.239 155 HD2 PHE 19 HD1 PHE 19 17.168 -18.369 -13.758 156 HE1 PHE 19 HE2 PHE 19 18.525 -20.644 -17.904 157 HE2 PHE 19 HE1 PHE 19 16.077 -20.473 -14.417 158 HZ PHE 19 HZ PHE 19 16.754 -21.613 -16.493 159 HB2 PHE 19 2HB PHE 19 18.422 -16.459 -14.466 160 HB3 PHE 19 3HB PHE 19 19.371 -16.481 -15.948 161 H GLY 20 H GLY 20 21.397 -14.930 -13.846 162 HA2 GLY 20 2HA GLY 20 23.649 -15.375 -15.688 163 HA3 GLY 20 3HA GLY 20 22.638 -13.952 -15.887 164 H LYS 21 H LYS 21 24.106 -15.580 -13.075 165 HA LYS 21 HA LYS 21 24.599 -13.206 -11.660 166 HB2 LYS 21 2HB LYS 21 25.952 -14.553 -10.177 167 HB3 LYS 21 3HB LYS 21 24.521 -15.465 -10.638 168 HG2 LYS 21 2HG LYS 21 26.693 -15.984 -12.456 169 HG3 LYS 21 3HG LYS 21 27.174 -16.293 -10.786 170 HD2 LYS 21 2HD LYS 21 24.519 -17.306 -11.603 171 HD3 LYS 21 3HD LYS 21 25.920 -18.105 -12.320 172 HE2 LYS 21 2HE LYS 21 26.035 -17.614 -9.410 173 HE3 LYS 21 3HE LYS 21 24.855 -18.806 -9.953 174 HZ1 LYS 21 3HZ LYS 21 26.987 -19.826 -9.442 175 HZ2 LYS 21 1HZ LYS 21 27.758 -18.844 -10.584 176 HZ3 LYS 21 2HZ LYS 21 26.624 -19.993 -11.086 177 H GLY 22 H GLY 22 26.237 -14.622 -14.306 178 HA2 GLY 22 2HA GLY 22 28.445 -12.696 -13.939 179 HA3 GLY 22 3HA GLY 22 28.743 -14.333 -14.505 180 H ALA 23 H ALA 23 25.953 -12.462 -15.485 181 HA ALA 23 HA ALA 23 26.523 -12.850 -18.242 182 HB1 ALA 23 1HB ALA 23 24.494 -11.741 -18.679 183 HB2 ALA 23 2HB ALA 23 24.238 -12.602 -17.161 184 HB3 ALA 23 3HB ALA 23 24.548 -10.866 -17.148 185 H ILE 24 H ILE 24 28.075 -11.812 -19.302 186 HA ILE 24 HA ILE 24 29.286 -9.417 -18.437 187 HB ILE 24 HB ILE 24 29.336 -10.635 -21.201 188 HG12 ILE 24 2HG1 ILE 24 30.102 -12.223 -19.515 189 HG13 ILE 24 3HG1 ILE 24 31.468 -11.647 -20.464 190 HG21 ILE 24 1HG2 ILE 24 31.612 -9.428 -21.199 191 HG22 ILE 24 2HG2 ILE 24 30.153 -8.475 -21.466 192 HG23 ILE 24 3HG2 ILE 24 30.932 -8.470 -19.884 193 HD11 ILE 24 3HD1 ILE 24 32.439 -11.352 -18.480 194 HD12 ILE 24 1HD1 ILE 24 31.462 -9.887 -18.396 195 HD13 ILE 24 2HD1 ILE 24 30.903 -11.366 -17.614 196 H LYS 25 H LYS 25 26.501 -10.049 -20.382 197 HA LYS 25 HA LYS 25 26.349 -7.687 -21.873 198 HB2 LYS 25 2HB LYS 25 23.904 -8.143 -21.960 199 HB3 LYS 25 3HB LYS 25 24.891 -9.541 -22.367 200 HG2 LYS 25 2HG LYS 25 23.594 -10.646 -20.933 201 HG3 LYS 25 3HG LYS 25 24.541 -9.850 -19.675 202 HD2 LYS 25 2HD LYS 25 22.911 -8.138 -19.417 203 HD3 LYS 25 3HD LYS 25 22.050 -8.650 -20.870 204 HE2 LYS 25 2HE LYS 25 22.395 -10.626 -18.676 205 HE3 LYS 25 3HE LYS 25 21.233 -9.321 -18.438 206 HZ1 LYS 25 3HZ LYS 25 19.814 -10.564 -19.583 207 HZ2 LYS 25 1HZ LYS 25 21.017 -11.655 -20.058 208 HZ3 LYS 25 2HZ LYS 25 20.738 -10.255 -20.966 209 H GLU 26 H GLU 26 25.407 -8.401 -18.559 210 HA GLU 26 HA GLU 26 23.983 -6.004 -18.080 211 HB2 GLU 26 2HB GLU 26 25.422 -7.833 -16.150 212 HB3 GLU 26 3HB GLU 26 24.315 -6.550 -15.681 213 HG2 GLU 26 2HG GLU 26 23.420 -8.701 -17.548 214 HG3 GLU 26 3HG GLU 26 23.469 -8.988 -15.810 215 H GLY 27 H GLY 27 27.371 -6.818 -18.043 216 HA2 GLY 27 2HA GLY 27 29.006 -5.085 -18.368 217 HA3 GLY 27 3HA GLY 27 27.972 -3.996 -17.455 218 H ASN 28 H ASN 28 29.874 -6.978 -17.102 219 HA ASN 28 HA ASN 28 30.051 -6.684 -14.247 220 HB2 ASN 28 2HB ASN 28 30.942 -8.647 -16.269 221 HB3 ASN 28 3HB ASN 28 31.969 -8.513 -14.844 222 HD21 ASN 28 1HD2 ASN 28 31.081 -10.829 -14.848 223 HD22 ASN 28 2HD2 ASN 28 29.664 -11.084 -13.894 224 H LYS 29 H LYS 29 31.469 -5.496 -13.162 225 HA LYS 29 HA LYS 29 33.275 -3.745 -14.297 226 HB2 LYS 29 2HB LYS 29 32.751 -4.779 -11.594 227 HB3 LYS 29 3HB LYS 29 34.390 -4.188 -11.838 228 HG2 LYS 29 2HG LYS 29 33.687 -2.108 -11.593 229 HG3 LYS 29 3HG LYS 29 32.595 -2.300 -12.967 230 HD2 LYS 29 2HD LYS 29 30.979 -3.395 -11.350 231 HD3 LYS 29 3HD LYS 29 32.032 -2.820 -10.055 232 HE2 LYS 29 2HE LYS 29 31.411 -0.723 -11.954 233 HE3 LYS 29 3HE LYS 29 29.952 -1.425 -11.258 234 HZ1 LYS 29 3HZ LYS 29 30.960 -1.063 -9.041 235 HZ2 LYS 29 1HZ LYS 29 30.662 0.372 -9.886 236 HZ3 LYS 29 2HZ LYS 29 32.237 -0.237 -9.783 237 H ASP 30 H ASP 30 34.130 -6.762 -12.591 238 HA ASP 30 HA ASP 30 36.769 -6.715 -13.809 239 HB2 ASP 30 2HB ASP 30 35.462 -8.346 -11.657 240 HB3 ASP 30 3HB ASP 30 36.939 -8.925 -12.422 241 H LYS 31 H LYS 31 34.978 -6.965 -15.791 242 HA LYS 31 HA LYS 31 34.554 -9.765 -16.416 243 HB2 LYS 31 2HB LYS 31 33.405 -8.969 -18.388 244 HB3 LYS 31 3HB LYS 31 32.863 -8.044 -16.994 245 HG2 LYS 31 2HG LYS 31 33.165 -6.332 -18.438 246 HG3 LYS 31 3HG LYS 31 34.810 -6.426 -17.806 247 HD2 LYS 31 2HD LYS 31 34.829 -8.260 -19.858 248 HD3 LYS 31 3HD LYS 31 33.797 -6.973 -20.487 249 HE2 LYS 31 2HE LYS 31 36.315 -6.163 -19.151 250 HE3 LYS 31 3HE LYS 31 36.457 -6.946 -20.724 251 HZ1 LYS 31 3HZ LYS 31 35.748 -4.292 -20.157 252 HZ2 LYS 31 1HZ LYS 31 34.425 -5.042 -20.898 253 HZ3 LYS 31 2HZ LYS 31 35.932 -5.030 -21.667 254 H TRP 32 H TRP 32 36.866 -7.294 -17.066 255 HA TRP 32 HA TRP 32 37.935 -8.300 -19.482 256 HD1 TRP 32 HD1 TRP 32 37.580 -5.086 -16.546 257 HE1 TRP 32 HE1 TRP 32 38.669 -4.835 -14.227 258 HE3 TRP 32 HE3 TRP 32 41.629 -8.133 -17.217 259 HZ2 TRP 32 HZ2 TRP 32 40.944 -5.800 -12.863 260 HZ3 TRP 32 HZ3 TRP 32 43.214 -8.415 -15.356 261 HH2 TRP 32 HH2 TRP 32 42.877 -7.272 -13.225 262 HB2 TRP 32 2HB TRP 32 39.964 -6.955 -18.836 263 HB3 TRP 32 3HB TRP 32 38.453 -6.050 -18.848 264 H LYS 33 H LYS 33 38.289 -9.245 -16.174 265 HA LYS 33 HA LYS 33 40.759 -10.593 -16.341 266 HB2 LYS 33 2HB LYS 33 38.472 -11.397 -14.549 267 HB3 LYS 33 3HB LYS 33 40.196 -11.592 -14.258 268 HG2 LYS 33 2HG LYS 33 40.389 -9.108 -14.174 269 HG3 LYS 33 3HG LYS 33 38.629 -9.024 -14.268 270 HD2 LYS 33 2HD LYS 33 39.310 -8.862 -11.960 271 HD3 LYS 33 3HD LYS 33 38.497 -10.408 -12.218 272 HE2 LYS 33 2HE LYS 33 41.389 -10.502 -12.642 273 HE3 LYS 33 3HE LYS 33 40.925 -10.070 -10.997 274 HZ1 LYS 33 3HZ LYS 33 39.344 -12.224 -11.916 275 HZ2 LYS 33 1HZ LYS 33 40.393 -12.166 -10.591 276 HZ3 LYS 33 2HZ LYS 33 40.981 -12.599 -12.116 277 H ASN 34 H ASN 34 37.483 -11.529 -17.155 278 HA ASN 34 HA ASN 34 38.320 -14.270 -17.715 279 HB2 ASN 34 2HB ASN 34 35.752 -12.905 -17.231 280 HB3 ASN 34 3HB ASN 34 35.700 -14.160 -18.465 281 HD21 ASN 34 1HD2 ASN 34 37.044 -13.621 -15.225 282 HD22 ASN 34 2HD2 ASN 34 36.648 -15.188 -14.616 283 H ILE 35 H ILE 35 38.327 -11.377 -19.293 284 HA ILE 35 HA ILE 35 38.371 -10.710 -21.475 285 HB ILE 35 HB ILE 35 39.324 -13.537 -21.941 286 HG12 ILE 35 2HG1 ILE 35 41.526 -11.851 -21.896 287 HG13 ILE 35 3HG1 ILE 35 40.532 -11.263 -20.568 288 HG21 ILE 35 1HG2 ILE 35 39.114 -12.798 -24.071 289 HG22 ILE 35 2HG2 ILE 35 39.197 -11.099 -23.606 290 HG23 ILE 35 3HG2 ILE 35 40.674 -12.057 -23.714 291 HD11 ILE 35 3HD1 ILE 35 42.329 -13.248 -20.348 292 HD12 ILE 35 1HD1 ILE 35 40.911 -13.083 -19.314 293 HD13 ILE 35 2HD1 ILE 35 40.872 -14.178 -20.697 Start of MODEL 16 1 HA LYS 1 HA LYS 1 -3.991 -2.008 -2.749 2 H1 LYS 1 H LYS 1 -2.968 -0.347 -0.617 3 HB2 LYS 1 2HB LYS 1 -1.589 -0.251 -2.392 4 HB3 LYS 1 3HB LYS 1 -1.633 -1.411 -3.714 5 HG2 LYS 1 2HG LYS 1 -4.011 0.306 -3.418 6 HG3 LYS 1 3HG LYS 1 -2.520 1.110 -3.914 7 HD2 LYS 1 2HD LYS 1 -2.280 -0.480 -5.760 8 HD3 LYS 1 3HD LYS 1 -3.769 -1.286 -5.262 9 HE2 LYS 1 2HE LYS 1 -4.540 0.102 -6.928 10 HE3 LYS 1 3HE LYS 1 -4.799 1.102 -5.499 11 HZ1 LYS 1 3HZ LYS 1 -2.759 2.274 -5.965 12 HZ2 LYS 1 1HZ LYS 1 -3.764 2.331 -7.325 13 HZ3 LYS 1 2HZ LYS 1 -2.440 1.279 -7.296 14 H LYS 2 H LYS 2 -3.003 -3.880 -3.564 15 HA LYS 2 HA LYS 2 -1.918 -5.615 -1.579 16 HB2 LYS 2 2HB LYS 2 -2.490 -5.869 -4.515 17 HB3 LYS 2 3HB LYS 2 -1.592 -7.125 -3.674 18 HG2 LYS 2 2HG LYS 2 -3.420 -7.926 -2.666 19 HG3 LYS 2 3HG LYS 2 -4.057 -6.315 -2.325 20 HD2 LYS 2 2HD LYS 2 -4.840 -6.126 -4.627 21 HD3 LYS 2 3HD LYS 2 -4.169 -7.717 -4.997 22 HE2 LYS 2 2HE LYS 2 -5.676 -8.719 -3.336 23 HE3 LYS 2 3HE LYS 2 -6.358 -7.127 -3.005 24 HZ1 LYS 2 3HZ LYS 2 -7.761 -8.339 -4.524 25 HZ2 LYS 2 1HZ LYS 2 -6.473 -8.576 -5.594 26 HZ3 LYS 2 2HZ LYS 2 -7.074 -7.018 -5.328 27 H TRP 3 H TRP 3 -0.585 -4.001 -4.439 28 HA TRP 3 HA TRP 3 1.549 -3.594 -5.110 29 HD1 TRP 3 HD1 TRP 3 1.120 -1.487 -4.986 30 HE1 TRP 3 HE1 TRP 3 0.443 0.779 -3.969 31 HE3 TRP 3 HE3 TRP 3 2.365 -2.381 -0.108 32 HZ2 TRP 3 HZ2 TRP 3 0.439 2.023 -1.436 33 HZ3 TRP 3 HZ3 TRP 3 1.994 -0.601 1.549 34 HH2 TRP 3 HH2 TRP 3 1.052 1.555 0.897 35 HB2 TRP 3 2HB TRP 3 2.031 -3.878 -2.139 36 HB3 TRP 3 3HB TRP 3 3.254 -3.328 -3.280 37 H GLY 4 H GLY 4 0.816 -6.106 -5.681 38 HA2 GLY 4 2HA GLY 4 2.861 -7.937 -4.679 39 HA3 GLY 4 3HA GLY 4 1.492 -8.363 -5.694 40 H TRP 5 H TRP 5 3.285 -5.605 -6.654 41 HA TRP 5 HA TRP 5 4.116 -6.937 -9.070 42 HD1 TRP 5 HD1 TRP 5 1.889 -6.335 -9.363 43 HE1 TRP 5 HE1 TRP 5 -0.209 -4.902 -9.772 44 HE3 TRP 5 HE3 TRP 5 3.982 -1.691 -8.930 45 HZ2 TRP 5 HZ2 TRP 5 -0.887 -2.165 -9.896 46 HZ3 TRP 5 HZ3 TRP 5 2.540 0.283 -9.209 47 HH2 TRP 5 HH2 TRP 5 0.156 0.049 -9.682 48 HB2 TRP 5 2HB TRP 5 4.705 -4.110 -8.170 49 HB3 TRP 5 3HB TRP 5 4.851 -4.746 -9.806 50 H LEU 6 H LEU 6 5.865 -5.066 -6.582 51 HA LEU 6 HA LEU 6 8.429 -5.883 -7.451 52 HG LEU 6 HG LEU 6 7.533 -3.411 -7.119 53 HB2 LEU 6 2HB LEU 6 7.686 -4.952 -4.687 54 HB3 LEU 6 3HB LEU 6 9.266 -4.857 -5.462 55 HD11 LEU 6 1HD1 LEU 6 7.210 -2.153 -4.473 56 HD12 LEU 6 2HD1 LEU 6 6.189 -3.553 -4.798 57 HD13 LEU 6 3HD1 LEU 6 6.137 -2.155 -5.872 58 HD21 LEU 6 3HD2 LEU 6 9.795 -2.792 -6.851 59 HD22 LEU 6 1HD2 LEU 6 9.626 -2.636 -5.103 60 HD23 LEU 6 2HD2 LEU 6 8.849 -1.467 -6.171 61 H ALA 7 H ALA 7 6.077 -7.302 -5.334 62 HA ALA 7 HA ALA 7 7.800 -9.051 -3.920 63 HB1 ALA 7 1HB ALA 7 5.669 -10.333 -3.482 64 HB2 ALA 7 2HB ALA 7 5.666 -8.640 -2.987 65 HB3 ALA 7 3HB ALA 7 4.844 -9.126 -4.469 66 H TRP 8 H TRP 8 6.286 -9.190 -7.053 67 HA TRP 8 HA TRP 8 6.930 -12.009 -7.392 68 HD1 TRP 8 HD1 TRP 8 4.699 -11.269 -6.139 69 HE1 TRP 8 HE1 TRP 8 2.436 -12.482 -5.965 70 HE3 TRP 8 HE3 TRP 8 3.906 -12.224 -11.098 71 HZ2 TRP 8 HZ2 TRP 8 0.562 -13.685 -7.700 72 HZ3 TRP 8 HZ3 TRP 8 1.854 -13.411 -11.757 73 HH2 TRP 8 HH2 TRP 8 0.218 -14.126 -10.092 74 HB2 TRP 8 2HB TRP 8 5.486 -9.979 -9.084 75 HB3 TRP 8 3HB TRP 8 5.963 -11.545 -9.735 76 H VAL 9 H VAL 9 8.156 -8.877 -8.253 77 HA VAL 9 HA VAL 9 9.916 -9.841 -10.318 78 HB VAL 9 HB VAL 9 9.902 -7.186 -8.874 79 HG11 VAL 9 1HG1 VAL 9 11.619 -8.335 -10.975 80 HG12 VAL 9 2HG1 VAL 9 11.044 -6.692 -11.264 81 HG13 VAL 9 3HG1 VAL 9 11.956 -7.064 -9.801 82 HG21 VAL 9 3HG2 VAL 9 8.045 -8.226 -10.673 83 HG22 VAL 9 1HG2 VAL 9 8.236 -6.538 -10.199 84 HG23 VAL 9 2HG2 VAL 9 9.058 -7.150 -11.635 85 H ASP 10 H ASP 10 10.066 -9.333 -6.884 86 HA ASP 10 HA ASP 10 12.797 -9.119 -6.456 87 HB2 ASP 10 2HB ASP 10 11.711 -8.863 -4.472 88 HB3 ASP 10 3HB ASP 10 10.481 -10.060 -4.871 89 HA PRO 11 HA PRO 11 13.102 -13.934 -6.255 90 HB2 PRO 11 2HB PRO 11 10.947 -15.358 -7.091 91 HB3 PRO 11 3HB PRO 11 11.164 -14.838 -5.416 92 HG2 PRO 11 2HG PRO 11 9.499 -13.611 -7.581 93 HG3 PRO 11 3HG PRO 11 9.096 -13.878 -5.875 94 HD2 PRO 11 2HD PRO 11 9.879 -11.467 -6.826 95 HD3 PRO 11 3HD PRO 11 10.254 -12.011 -5.178 96 H ALA 12 H ALA 12 11.560 -12.230 -8.829 97 HA ALA 12 HA ALA 12 12.130 -14.098 -10.913 98 HB1 ALA 12 1HB ALA 12 11.320 -12.479 -12.403 99 HB2 ALA 12 2HB ALA 12 10.377 -12.247 -10.930 100 HB3 ALA 12 3HB ALA 12 11.707 -11.152 -11.307 101 H TYR 13 H TYR 13 13.475 -10.836 -10.372 102 HA TYR 13 HA TYR 13 15.624 -11.042 -12.094 103 HD1 TYR 13 HD1 TYR 13 18.285 -9.633 -11.232 104 HD2 TYR 13 HD2 TYR 13 14.682 -7.535 -12.079 105 HE1 TYR 13 HE1 TYR 13 19.494 -8.217 -12.838 106 HE2 TYR 13 HE2 TYR 13 15.881 -6.114 -13.689 107 HH TYR 13 HH TYR 13 18.680 -6.808 -15.027 108 HB2 TYR 13 2HB TYR 13 14.685 -9.119 -10.389 109 HB3 TYR 13 3HB TYR 13 16.211 -9.552 -9.627 110 H GLU 14 H GLU 14 15.543 -11.777 -8.614 111 HA GLU 14 HA GLU 14 18.186 -12.477 -8.233 112 HB2 GLU 14 2HB GLU 14 15.674 -13.580 -6.980 113 HB3 GLU 14 3HB GLU 14 17.284 -14.034 -6.439 114 HG2 GLU 14 2HG GLU 14 17.060 -11.177 -6.591 115 HG3 GLU 14 3HG GLU 14 15.754 -11.847 -5.614 116 H PHE 15 H PHE 15 15.564 -14.386 -9.601 117 HA PHE 15 HA PHE 15 17.030 -16.828 -9.716 118 HD1 PHE 15 HD2 PHE 15 16.536 -18.961 -10.544 119 HD2 PHE 15 HD1 PHE 15 12.957 -17.172 -9.094 120 HE1 PHE 15 HE2 PHE 15 16.002 -21.029 -9.323 121 HE2 PHE 15 HE1 PHE 15 12.417 -19.237 -7.869 122 HZ PHE 15 HZ PHE 15 13.939 -21.169 -7.984 123 HB2 PHE 15 2HB PHE 15 14.379 -15.920 -10.375 124 HB3 PHE 15 3HB PHE 15 15.030 -16.873 -11.704 125 H ILE 16 H ILE 16 16.404 -14.208 -11.998 126 HA ILE 16 HA ILE 16 17.581 -15.425 -14.255 127 HB ILE 16 HB ILE 16 17.314 -12.482 -13.629 128 HG12 ILE 16 2HG1 ILE 16 15.168 -13.714 -13.616 129 HG13 ILE 16 3HG1 ILE 16 15.272 -12.576 -14.955 130 HG21 ILE 16 1HG2 ILE 16 18.764 -12.425 -15.386 131 HG22 ILE 16 2HG2 ILE 16 18.232 -13.981 -16.019 132 HG23 ILE 16 3HG2 ILE 16 17.246 -12.542 -16.276 133 HD11 ILE 16 3HD1 ILE 16 14.273 -14.729 -15.588 134 HD12 ILE 16 1HD1 ILE 16 15.745 -14.368 -16.490 135 HD13 ILE 16 2HD1 ILE 16 15.785 -15.532 -15.166 136 H LYS 17 H LYS 17 18.885 -13.234 -11.790 137 HA LYS 17 HA LYS 17 21.466 -13.006 -12.927 138 HB2 LYS 17 2HB LYS 17 22.135 -12.110 -10.746 139 HB3 LYS 17 3HB LYS 17 20.619 -11.400 -11.288 140 HG2 LYS 17 2HG LYS 17 19.374 -12.847 -9.796 141 HG3 LYS 17 3HG LYS 17 20.867 -13.643 -9.293 142 HD2 LYS 17 2HD LYS 17 20.320 -10.698 -8.943 143 HD3 LYS 17 3HD LYS 17 20.029 -11.913 -7.696 144 HE2 LYS 17 2HE LYS 17 22.178 -11.929 -7.118 145 HE3 LYS 17 3HE LYS 17 22.683 -12.177 -8.789 146 HZ1 LYS 17 3HZ LYS 17 22.448 -9.767 -9.134 147 HZ2 LYS 17 1HZ LYS 17 23.609 -10.141 -7.962 148 HZ3 LYS 17 2HZ LYS 17 22.087 -9.573 -7.493 149 H GLY 18 H GLY 18 19.949 -15.418 -10.946 150 HA2 GLY 18 2HA GLY 18 22.466 -16.655 -10.191 151 HA3 GLY 18 3HA GLY 18 20.856 -17.228 -9.783 152 H PHE 19 H PHE 19 20.089 -16.976 -12.690 153 HA PHE 19 HA PHE 19 20.888 -19.649 -13.428 154 HD1 PHE 19 HD1 PHE 19 18.844 -20.158 -12.315 155 HD2 PHE 19 HD2 PHE 19 18.217 -20.051 -16.523 156 HE1 PHE 19 HE1 PHE 19 17.662 -22.313 -12.190 157 HE2 PHE 19 HE2 PHE 19 17.034 -22.205 -16.405 158 HZ PHE 19 HZ PHE 19 16.754 -23.338 -14.237 159 HB2 PHE 19 2HB PHE 19 18.710 -17.898 -14.029 160 HB3 PHE 19 3HB PHE 19 19.461 -18.393 -15.543 161 H GLY 20 H GLY 20 21.681 -16.378 -14.331 162 HA2 GLY 20 2HA GLY 20 23.768 -17.438 -16.106 163 HA3 GLY 20 3HA GLY 20 22.678 -16.207 -16.725 164 H LYS 21 H LYS 21 24.464 -16.662 -13.672 165 HA LYS 21 HA LYS 21 24.942 -13.924 -13.266 166 HB2 LYS 21 2HB LYS 21 26.509 -14.615 -11.550 167 HB3 LYS 21 3HB LYS 21 25.080 -15.639 -11.489 168 HG2 LYS 21 2HG LYS 21 27.103 -16.767 -13.212 169 HG3 LYS 21 3HG LYS 21 27.728 -16.461 -11.589 170 HD2 LYS 21 2HD LYS 21 25.053 -17.714 -11.769 171 HD3 LYS 21 3HD LYS 21 26.427 -18.707 -12.262 172 HE2 LYS 21 2HE LYS 21 26.746 -17.204 -9.742 173 HE3 LYS 21 3HE LYS 21 25.556 -18.504 -9.720 174 HZ1 LYS 21 3HZ LYS 21 28.302 -18.924 -10.735 175 HZ2 LYS 21 1HZ LYS 21 27.174 -20.085 -10.242 176 HZ3 LYS 21 2HZ LYS 21 27.924 -19.094 -9.095 177 H GLY 22 H GLY 22 26.421 -16.172 -15.375 178 HA2 GLY 22 2HA GLY 22 28.715 -14.353 -15.764 179 HA3 GLY 22 3HA GLY 22 28.736 -16.071 -16.138 180 H ALA 23 H ALA 23 26.105 -13.871 -16.915 181 HA ALA 23 HA ALA 23 26.064 -14.703 -19.633 182 HB1 ALA 23 1HB ALA 23 24.002 -13.902 -19.498 183 HB2 ALA 23 2HB ALA 23 24.358 -13.278 -17.887 184 HB3 ALA 23 3HB ALA 23 24.629 -12.265 -19.305 185 H ILE 24 H ILE 24 27.562 -14.131 -21.064 186 HA ILE 24 HA ILE 24 29.039 -11.661 -20.792 187 HB ILE 24 HB ILE 24 29.183 -13.750 -22.969 188 HG12 ILE 24 2HG1 ILE 24 29.750 -14.627 -20.726 189 HG13 ILE 24 3HG1 ILE 24 31.148 -14.589 -21.796 190 HG21 ILE 24 1HG2 ILE 24 31.598 -12.571 -22.961 191 HG22 ILE 24 2HG2 ILE 24 30.267 -12.057 -23.995 192 HG23 ILE 24 3HG2 ILE 24 30.590 -11.204 -22.486 193 HD11 ILE 24 3HD1 ILE 24 30.946 -13.534 -19.228 194 HD12 ILE 24 1HD1 ILE 24 32.266 -13.315 -20.377 195 HD13 ILE 24 2HD1 ILE 24 30.951 -12.140 -20.308 196 H LYS 25 H LYS 25 26.339 -12.846 -22.592 197 HA LYS 25 HA LYS 25 26.379 -11.153 -24.813 198 HB2 LYS 25 2HB LYS 25 23.887 -12.047 -23.363 199 HB3 LYS 25 3HB LYS 25 24.050 -11.648 -25.068 200 HG2 LYS 25 2HG LYS 25 24.440 -13.777 -25.512 201 HG3 LYS 25 3HG LYS 25 25.899 -13.708 -24.519 202 HD2 LYS 25 2HD LYS 25 24.693 -15.422 -23.527 203 HD3 LYS 25 3HD LYS 25 24.262 -14.028 -22.533 204 HE2 LYS 25 2HE LYS 25 22.446 -14.118 -24.699 205 HE3 LYS 25 3HE LYS 25 22.564 -15.752 -24.049 206 HZ1 LYS 25 3HZ LYS 25 22.395 -14.189 -21.833 207 HZ2 LYS 25 1HZ LYS 25 21.118 -15.054 -22.528 208 HZ3 LYS 25 2HZ LYS 25 21.342 -13.422 -22.912 209 H GLU 26 H GLU 26 24.587 -10.712 -21.756 210 HA GLU 26 HA GLU 26 23.649 -8.141 -22.281 211 HB2 GLU 26 2HB GLU 26 24.372 -9.305 -19.587 212 HB3 GLU 26 3HB GLU 26 23.303 -7.939 -19.872 213 HG2 GLU 26 2HG GLU 26 22.842 -10.827 -20.541 214 HG3 GLU 26 3HG GLU 26 21.917 -9.793 -19.452 215 H GLY 27 H GLY 27 26.781 -9.239 -21.248 216 HA2 GLY 27 2HA GLY 27 28.688 -7.817 -21.695 217 HA3 GLY 27 3HA GLY 27 27.694 -6.435 -21.258 218 H ASN 28 H ASN 28 29.854 -8.839 -20.148 219 HA ASN 28 HA ASN 28 29.265 -8.829 -17.396 220 HB2 ASN 28 2HB ASN 28 30.973 -10.238 -18.939 221 HB3 ASN 28 3HB ASN 28 32.105 -9.110 -18.199 222 HD21 ASN 28 1HD2 ASN 28 31.029 -12.093 -17.917 223 HD22 ASN 28 2HD2 ASN 28 31.093 -12.314 -16.205 224 H LYS 29 H LYS 29 28.935 -6.793 -16.580 225 HA LYS 29 HA LYS 29 30.798 -4.653 -17.007 226 HB2 LYS 29 2HB LYS 29 28.367 -5.003 -15.272 227 HB3 LYS 29 3HB LYS 29 29.391 -3.581 -15.126 228 HG2 LYS 29 2HG LYS 29 28.720 -2.718 -17.113 229 HG3 LYS 29 3HG LYS 29 28.460 -4.305 -17.842 230 HD2 LYS 29 2HD LYS 29 26.550 -4.346 -15.947 231 HD3 LYS 29 3HD LYS 29 26.624 -2.611 -16.264 232 HE2 LYS 29 2HE LYS 29 25.257 -3.013 -17.981 233 HE3 LYS 29 3HE LYS 29 26.658 -3.717 -18.787 234 HZ1 LYS 29 3HZ LYS 29 24.626 -5.150 -18.715 235 HZ2 LYS 29 1HZ LYS 29 24.843 -5.282 -17.042 236 HZ3 LYS 29 2HZ LYS 29 26.025 -5.872 -18.097 237 H ASP 30 H ASP 30 29.871 -6.587 -14.160 238 HA ASP 30 HA ASP 30 32.187 -5.607 -12.702 239 HB2 ASP 30 2HB ASP 30 29.790 -7.264 -11.994 240 HB3 ASP 30 3HB ASP 30 31.201 -7.268 -10.940 241 H LYS 31 H LYS 31 33.082 -6.934 -14.865 242 HA LYS 31 HA LYS 31 33.627 -9.699 -14.184 243 HB2 LYS 31 2HB LYS 31 34.752 -9.817 -16.324 244 HB3 LYS 31 3HB LYS 31 33.198 -9.020 -16.526 245 HG2 LYS 31 2HG LYS 31 34.460 -7.596 -17.742 246 HG3 LYS 31 3HG LYS 31 34.709 -6.860 -16.157 247 HD2 LYS 31 2HD LYS 31 36.677 -8.726 -16.173 248 HD3 LYS 31 3HD LYS 31 36.591 -8.318 -17.889 249 HE2 LYS 31 2HE LYS 31 36.471 -5.869 -16.579 250 HE3 LYS 31 3HE LYS 31 37.664 -6.796 -15.670 251 HZ1 LYS 31 3HZ LYS 31 38.636 -7.326 -17.958 252 HZ2 LYS 31 1HZ LYS 31 38.890 -5.774 -17.334 253 HZ3 LYS 31 2HZ LYS 31 37.710 -6.026 -18.519 254 H TRP 32 H TRP 32 35.127 -6.613 -13.859 255 HA TRP 32 HA TRP 32 37.824 -7.442 -13.679 256 HD1 TRP 32 HD1 TRP 32 34.869 -4.255 -14.118 257 HE1 TRP 32 HE1 TRP 32 33.340 -3.164 -12.359 258 HE3 TRP 32 HE3 TRP 32 37.589 -5.301 -9.918 259 HZ2 TRP 32 HZ2 TRP 32 33.294 -2.795 -9.561 260 HZ3 TRP 32 HZ3 TRP 32 36.733 -4.544 -7.740 261 HH2 TRP 32 HH2 TRP 32 34.630 -3.317 -7.566 262 HB2 TRP 32 2HB TRP 32 38.138 -5.256 -12.468 263 HB3 TRP 32 3HB TRP 32 37.364 -5.123 -14.044 264 H LYS 33 H LYS 33 35.167 -7.571 -11.473 265 HA LYS 33 HA LYS 33 36.593 -7.703 -9.043 266 HB2 LYS 33 2HB LYS 33 33.985 -9.112 -9.589 267 HB3 LYS 33 3HB LYS 33 34.571 -8.469 -8.060 268 HG2 LYS 33 2HG LYS 33 34.504 -6.287 -9.801 269 HG3 LYS 33 3HG LYS 33 33.017 -7.188 -10.108 270 HD2 LYS 33 2HD LYS 33 33.982 -6.318 -7.384 271 HD3 LYS 33 3HD LYS 33 32.763 -5.474 -8.342 272 HE2 LYS 33 2HE LYS 33 31.253 -6.763 -7.330 273 HE3 LYS 33 3HE LYS 33 31.878 -8.094 -8.302 274 HZ1 LYS 33 3HZ LYS 33 33.616 -8.156 -6.331 275 HZ2 LYS 33 1HZ LYS 33 32.143 -8.985 -6.254 276 HZ3 LYS 33 2HZ LYS 33 32.314 -7.490 -5.482 277 H ASN 34 H ASN 34 36.190 -9.953 -11.600 278 HA ASN 34 HA ASN 34 36.798 -12.277 -9.979 279 HB2 ASN 34 2HB ASN 34 35.828 -11.774 -12.679 280 HB3 ASN 34 3HB ASN 34 37.079 -13.014 -12.646 281 HD21 ASN 34 1HD2 ASN 34 34.172 -12.052 -10.853 282 HD22 ASN 34 2HD2 ASN 34 33.570 -13.657 -10.635 283 H ILE 35 H ILE 35 38.614 -9.794 -10.903 284 HA ILE 35 HA ILE 35 40.923 -11.319 -11.834 285 HB ILE 35 HB ILE 35 40.768 -8.347 -11.341 286 HG12 ILE 35 2HG1 ILE 35 40.249 -9.882 -13.898 287 HG13 ILE 35 3HG1 ILE 35 39.043 -9.009 -12.957 288 HG21 ILE 35 1HG2 ILE 35 42.731 -8.180 -12.632 289 HG22 ILE 35 2HG2 ILE 35 43.008 -9.523 -11.524 290 HG23 ILE 35 3HG2 ILE 35 42.589 -9.841 -13.207 291 HD11 ILE 35 3HD1 ILE 35 39.633 -7.665 -14.820 292 HD12 ILE 35 1HD1 ILE 35 40.343 -6.924 -13.386 293 HD13 ILE 35 2HD1 ILE 35 41.355 -7.856 -14.490 Start of MODEL 17 1 HA LYS 1 HA LYS 1 -0.921 -0.218 -3.199 2 H1 LYS 1 H LYS 1 -0.572 0.292 -0.382 3 HB2 LYS 1 2HB LYS 1 1.307 0.622 -1.425 4 HB3 LYS 1 3HB LYS 1 1.750 -0.204 -2.913 5 HG2 LYS 1 2HG LYS 1 -0.180 1.725 -3.606 6 HG3 LYS 1 3HG LYS 1 0.971 2.512 -2.523 7 HD2 LYS 1 2HD LYS 1 2.818 1.799 -3.929 8 HD3 LYS 1 3HD LYS 1 1.705 0.925 -4.984 9 HE2 LYS 1 2HE LYS 1 1.060 2.796 -6.051 10 HE3 LYS 1 3HE LYS 1 1.027 3.748 -4.568 11 HZ1 LYS 1 3HZ LYS 1 2.853 4.018 -6.522 12 HZ2 LYS 1 1HZ LYS 1 3.673 3.004 -5.444 13 HZ3 LYS 1 2HZ LYS 1 3.088 4.501 -4.918 14 H LYS 2 H LYS 2 -0.508 -2.056 -4.292 15 HA LYS 2 HA LYS 2 -0.402 -4.518 -2.919 16 HB2 LYS 2 2HB LYS 2 0.108 -3.854 -5.823 17 HB3 LYS 2 3HB LYS 2 -0.021 -5.492 -5.195 18 HG2 LYS 2 2HG LYS 2 -2.279 -5.336 -4.861 19 HG3 LYS 2 3HG LYS 2 -2.241 -3.581 -4.668 20 HD2 LYS 2 2HD LYS 2 -2.720 -3.291 -6.821 21 HD3 LYS 2 3HD LYS 2 -1.345 -4.290 -7.300 22 HE2 LYS 2 2HE LYS 2 -2.979 -5.588 -8.173 23 HE3 LYS 2 3HE LYS 2 -3.039 -6.216 -6.527 24 HZ1 LYS 2 3HZ LYS 2 -4.708 -3.909 -7.271 25 HZ2 LYS 2 1HZ LYS 2 -4.959 -5.066 -6.063 26 HZ3 LYS 2 2HZ LYS 2 -5.207 -5.471 -7.686 27 H TRP 3 H TRP 3 2.067 -2.585 -4.540 28 HA TRP 3 HA TRP 3 4.339 -2.718 -4.584 29 HD1 TRP 3 HD1 TRP 3 5.065 -0.891 -3.873 30 HE1 TRP 3 HE1 TRP 3 4.947 1.198 -2.374 31 HE3 TRP 3 HE3 TRP 3 3.572 -3.104 0.486 32 HZ2 TRP 3 HZ2 TRP 3 4.306 1.825 0.302 33 HZ3 TRP 3 HZ3 TRP 3 3.229 -1.689 2.470 34 HH2 TRP 3 HH2 TRP 3 3.589 0.724 2.378 35 HB2 TRP 3 2HB TRP 3 3.674 -3.881 -1.894 36 HB3 TRP 3 3HB TRP 3 5.345 -3.790 -2.442 37 H GLY 4 H GLY 4 3.281 -4.551 -6.219 38 HA2 GLY 4 2HA GLY 4 4.443 -7.158 -5.599 39 HA3 GLY 4 3HA GLY 4 3.405 -6.781 -6.966 40 H TRP 5 H TRP 5 5.974 -4.594 -6.382 41 HA TRP 5 HA TRP 5 7.205 -5.305 -8.888 42 HD1 TRP 5 HD1 TRP 5 5.377 -3.957 -9.388 43 HE1 TRP 5 HE1 TRP 5 3.891 -1.872 -9.646 44 HE3 TRP 5 HE3 TRP 5 8.212 -0.612 -6.760 45 HZ2 TRP 5 HZ2 TRP 5 3.918 0.834 -8.842 46 HZ3 TRP 5 HZ3 TRP 5 7.411 1.705 -6.552 47 HH2 TRP 5 HH2 TRP 5 5.309 2.411 -7.572 48 HB2 TRP 5 2HB TRP 5 8.097 -3.246 -6.859 49 HB3 TRP 5 3HB TRP 5 8.604 -3.354 -8.542 50 H LEU 6 H LEU 6 8.456 -4.966 -5.560 51 HA LEU 6 HA LEU 6 10.906 -6.272 -6.124 52 HG LEU 6 HG LEU 6 10.695 -3.882 -5.107 53 HB2 LEU 6 2HB LEU 6 9.569 -5.967 -3.443 54 HB3 LEU 6 3HB LEU 6 11.282 -6.240 -3.750 55 HD11 LEU 6 1HD1 LEU 6 9.240 -2.626 -3.953 56 HD12 LEU 6 2HD1 LEU 6 9.754 -3.276 -2.397 57 HD13 LEU 6 3HD1 LEU 6 8.610 -4.175 -3.393 58 HD21 LEU 6 3HD2 LEU 6 12.384 -3.047 -3.836 59 HD22 LEU 6 1HD2 LEU 6 12.620 -4.762 -3.499 60 HD23 LEU 6 2HD2 LEU 6 11.759 -3.746 -2.342 61 H ALA 7 H ALA 7 7.755 -7.394 -5.176 62 HA ALA 7 HA ALA 7 8.507 -9.949 -4.214 63 HB1 ALA 7 1HB ALA 7 6.112 -10.533 -4.645 64 HB2 ALA 7 2HB ALA 7 6.354 -9.101 -3.644 65 HB3 ALA 7 3HB ALA 7 5.909 -8.925 -5.341 66 H TRP 8 H TRP 8 8.019 -8.644 -7.402 67 HA TRP 8 HA TRP 8 8.003 -11.278 -8.638 68 HD1 TRP 8 HD1 TRP 8 5.697 -10.264 -7.746 69 HE1 TRP 8 HE1 TRP 8 3.320 -10.755 -8.603 70 HE3 TRP 8 HE3 TRP 8 6.453 -9.464 -12.738 71 HZ2 TRP 8 HZ2 TRP 8 1.947 -10.798 -11.069 72 HZ3 TRP 8 HZ3 TRP 8 4.556 -9.752 -14.279 73 HH2 TRP 8 HH2 TRP 8 2.351 -10.406 -13.460 74 HB2 TRP 8 2HB TRP 8 7.659 -8.473 -9.652 75 HB3 TRP 8 3HB TRP 8 8.006 -9.787 -10.774 76 H VAL 9 H VAL 9 10.198 -8.685 -7.961 77 HA VAL 9 HA VAL 9 12.197 -9.489 -9.863 78 HB VAL 9 HB VAL 9 12.427 -7.659 -7.468 79 HG11 VAL 9 1HG1 VAL 9 14.625 -8.018 -7.847 80 HG12 VAL 9 2HG1 VAL 9 14.361 -8.579 -9.499 81 HG13 VAL 9 3HG1 VAL 9 14.366 -6.852 -9.143 82 HG21 VAL 9 3HG2 VAL 9 12.582 -6.316 -9.977 83 HG22 VAL 9 1HG2 VAL 9 11.123 -7.307 -9.953 84 HG23 VAL 9 2HG2 VAL 9 11.398 -6.112 -8.685 85 H ASP 10 H ASP 10 11.370 -10.301 -6.597 86 HA ASP 10 HA ASP 10 13.773 -11.227 -5.583 87 HB2 ASP 10 2HB ASP 10 10.932 -11.684 -5.042 88 HB3 ASP 10 3HB ASP 10 11.950 -13.060 -4.625 89 HA PRO 11 HA PRO 11 12.906 -15.575 -7.487 90 HB2 PRO 11 2HB PRO 11 10.857 -15.785 -9.256 91 HB3 PRO 11 3HB PRO 11 10.651 -16.014 -7.515 92 HG2 PRO 11 2HG PRO 11 10.069 -13.602 -9.190 93 HG3 PRO 11 3HG PRO 11 9.103 -14.319 -7.887 94 HD2 PRO 11 2HD PRO 11 10.668 -12.141 -7.511 95 HD3 PRO 11 3HD PRO 11 10.376 -13.339 -6.234 96 H ALA 12 H ALA 12 12.674 -12.640 -9.285 97 HA ALA 12 HA ALA 12 13.429 -13.697 -11.829 98 HB1 ALA 12 1HB ALA 12 13.850 -11.313 -12.408 99 HB2 ALA 12 2HB ALA 12 12.241 -11.619 -11.754 100 HB3 ALA 12 3HB ALA 12 13.482 -10.890 -10.736 101 H TYR 13 H TYR 13 15.232 -11.545 -9.623 102 HA TYR 13 HA TYR 13 17.710 -11.803 -10.829 103 HD1 TYR 13 HD1 TYR 13 20.120 -12.050 -9.051 104 HD2 TYR 13 HD2 TYR 13 17.905 -8.420 -9.173 105 HE1 TYR 13 HE1 TYR 13 22.196 -10.805 -9.486 106 HE2 TYR 13 HE2 TYR 13 19.974 -7.165 -9.610 107 HH TYR 13 HH TYR 13 22.236 -7.284 -9.600 108 HB2 TYR 13 2HB TYR 13 16.785 -10.379 -8.735 109 HB3 TYR 13 3HB TYR 13 17.705 -11.605 -7.871 110 H GLU 14 H GLU 14 16.179 -13.846 -8.398 111 HA GLU 14 HA GLU 14 18.418 -15.452 -7.806 112 HB2 GLU 14 2HB GLU 14 15.451 -15.928 -7.587 113 HB3 GLU 14 3HB GLU 14 16.630 -17.137 -7.097 114 HG2 GLU 14 2HG GLU 14 16.985 -14.420 -5.998 115 HG3 GLU 14 3HG GLU 14 15.594 -15.338 -5.423 116 H PHE 15 H PHE 15 16.197 -15.423 -10.463 117 HA PHE 15 HA PHE 15 16.674 -18.086 -11.360 118 HD1 PHE 15 HD2 PHE 15 16.266 -18.553 -14.423 119 HD2 PHE 15 HD1 PHE 15 13.136 -17.531 -11.726 120 HE1 PHE 15 HE2 PHE 15 14.988 -20.519 -15.167 121 HE2 PHE 15 HE1 PHE 15 11.853 -19.495 -12.466 122 HZ PHE 15 HZ PHE 15 12.778 -20.992 -14.189 123 HB2 PHE 15 2HB PHE 15 14.898 -16.064 -12.025 124 HB3 PHE 15 3HB PHE 15 15.924 -16.192 -13.450 125 H ILE 16 H ILE 16 17.927 -14.910 -12.344 126 HA ILE 16 HA ILE 16 19.632 -15.874 -14.375 127 HB ILE 16 HB ILE 16 19.893 -13.350 -12.736 128 HG12 ILE 16 2HG1 ILE 16 18.989 -12.621 -15.214 129 HG13 ILE 16 3HG1 ILE 16 18.158 -14.154 -14.973 130 HG21 ILE 16 1HG2 ILE 16 21.275 -14.326 -15.208 131 HG22 ILE 16 2HG2 ILE 16 21.092 -12.602 -14.890 132 HG23 ILE 16 3HG2 ILE 16 21.970 -13.620 -13.749 133 HD11 ILE 16 3HD1 ILE 16 17.712 -11.562 -13.727 134 HD12 ILE 16 1HD1 ILE 16 16.624 -12.937 -13.918 135 HD13 ILE 16 2HD1 ILE 16 17.771 -12.899 -12.578 136 H LYS 17 H LYS 17 19.942 -15.721 -10.930 137 HA LYS 17 HA LYS 17 22.716 -15.754 -10.634 138 HB2 LYS 17 2HB LYS 17 20.531 -16.987 -8.955 139 HB3 LYS 17 3HB LYS 17 22.221 -16.969 -8.467 140 HG2 LYS 17 2HG LYS 17 21.164 -14.354 -9.252 141 HG3 LYS 17 3HG LYS 17 20.392 -15.065 -7.833 142 HD2 LYS 17 2HD LYS 17 23.001 -15.548 -7.288 143 HD3 LYS 17 3HD LYS 17 23.127 -14.035 -8.189 144 HE2 LYS 17 2HE LYS 17 21.031 -13.528 -6.514 145 HE3 LYS 17 3HE LYS 17 22.053 -14.557 -5.513 146 HZ1 LYS 17 3HZ LYS 17 22.730 -11.958 -6.751 147 HZ2 LYS 17 1HZ LYS 17 23.926 -13.016 -6.191 148 HZ3 LYS 17 2HZ LYS 17 22.782 -12.388 -5.116 149 H GLY 18 H GLY 18 20.566 -18.179 -11.799 150 HA2 GLY 18 2HA GLY 18 22.801 -20.113 -11.805 151 HA3 GLY 18 3HA GLY 18 21.132 -20.602 -11.553 152 H PHE 19 H PHE 19 20.130 -18.705 -13.570 153 HA PHE 19 HA PHE 19 20.493 -20.417 -15.864 154 HD1 PHE 19 HD2 PHE 19 19.299 -16.660 -17.287 155 HD2 PHE 19 HD1 PHE 19 18.017 -20.702 -17.661 156 HE1 PHE 19 HE2 PHE 19 18.858 -16.296 -19.680 157 HE2 PHE 19 HE1 PHE 19 17.575 -20.344 -20.055 158 HZ PHE 19 HZ PHE 19 17.994 -18.138 -21.067 159 HB2 PHE 19 2HB PHE 19 18.264 -19.673 -15.496 160 HB3 PHE 19 3HB PHE 19 18.774 -17.996 -15.335 161 H GLY 20 H GLY 20 21.355 -17.136 -14.910 162 HA2 GLY 20 2HA GLY 20 23.090 -17.001 -17.296 163 HA3 GLY 20 3HA GLY 20 22.144 -15.615 -16.773 164 H LYS 21 H LYS 21 24.014 -17.935 -14.847 165 HA LYS 21 HA LYS 21 25.118 -15.965 -13.176 166 HB2 LYS 21 2HB LYS 21 26.530 -17.722 -12.300 167 HB3 LYS 21 3HB LYS 21 24.917 -18.364 -12.580 168 HG2 LYS 21 2HG LYS 21 26.535 -18.740 -14.916 169 HG3 LYS 21 3HG LYS 21 27.356 -19.388 -13.494 170 HD2 LYS 21 2HD LYS 21 24.465 -19.994 -13.857 171 HD3 LYS 21 3HD LYS 21 25.632 -20.837 -14.878 172 HE2 LYS 21 2HE LYS 21 26.841 -21.546 -12.842 173 HE3 LYS 21 3HE LYS 21 25.598 -20.771 -11.862 174 HZ1 LYS 21 3HZ LYS 21 24.018 -22.325 -12.498 175 HZ2 LYS 21 1HZ LYS 21 25.410 -23.267 -12.307 176 HZ3 LYS 21 2HZ LYS 21 24.891 -22.829 -13.856 177 H GLY 22 H GLY 22 25.967 -16.972 -16.331 178 HA2 GLY 22 2HA GLY 22 28.647 -15.776 -16.079 179 HA3 GLY 22 3HA GLY 22 28.139 -16.863 -17.363 180 H ALA 23 H ALA 23 26.913 -16.064 -19.088 181 HA ALA 23 HA ALA 23 26.469 -14.524 -20.713 182 HB1 ALA 23 1HB ALA 23 24.694 -14.140 -18.872 183 HB2 ALA 23 2HB ALA 23 25.579 -12.646 -18.559 184 HB3 ALA 23 3HB ALA 23 24.876 -12.937 -20.150 185 H ILE 24 H ILE 24 29.054 -14.467 -20.420 186 HA ILE 24 HA ILE 24 30.031 -11.850 -19.666 187 HB ILE 24 HB ILE 24 31.483 -14.167 -20.950 188 HG12 ILE 24 2HG1 ILE 24 32.492 -14.112 -18.502 189 HG13 ILE 24 3HG1 ILE 24 30.942 -13.369 -18.122 190 HG21 ILE 24 1HG2 ILE 24 32.645 -12.137 -21.443 191 HG22 ILE 24 2HG2 ILE 24 32.489 -11.582 -19.777 192 HG23 ILE 24 3HG2 ILE 24 33.519 -12.963 -20.154 193 HD11 ILE 24 3HD1 ILE 24 29.750 -15.279 -18.761 194 HD12 ILE 24 1HD1 ILE 24 31.139 -15.967 -19.602 195 HD13 ILE 24 2HD1 ILE 24 31.130 -15.879 -17.840 196 H LYS 25 H LYS 25 29.014 -13.485 -22.535 197 HA LYS 25 HA LYS 25 30.391 -11.976 -24.468 198 HB2 LYS 25 2HB LYS 25 28.501 -12.679 -25.985 199 HB3 LYS 25 3HB LYS 25 29.332 -13.992 -25.160 200 HG2 LYS 25 2HG LYS 25 27.038 -12.979 -23.678 201 HG3 LYS 25 3HG LYS 25 26.621 -13.623 -25.268 202 HD2 LYS 25 2HD LYS 25 28.286 -15.552 -24.428 203 HD3 LYS 25 3HD LYS 25 27.669 -15.001 -22.869 204 HE2 LYS 25 2HE LYS 25 26.220 -16.729 -23.548 205 HE3 LYS 25 3HE LYS 25 25.350 -15.230 -23.871 206 HZ1 LYS 25 3HZ LYS 25 26.441 -17.184 -25.740 207 HZ2 LYS 25 1HZ LYS 25 26.524 -15.559 -26.203 208 HZ3 LYS 25 2HZ LYS 25 25.028 -16.259 -25.843 209 H GLU 26 H GLU 26 27.459 -11.365 -22.650 210 HA GLU 26 HA GLU 26 26.557 -9.169 -24.215 211 HB2 GLU 26 2HB GLU 26 25.965 -9.919 -21.348 212 HB3 GLU 26 3HB GLU 26 25.120 -8.667 -22.247 213 HG2 GLU 26 2HG GLU 26 25.236 -11.426 -23.360 214 HG3 GLU 26 3HG GLU 26 24.124 -11.070 -22.039 215 H GLY 27 H GLY 27 28.742 -9.506 -21.496 216 HA2 GLY 27 2HA GLY 27 30.455 -7.576 -21.692 217 HA3 GLY 27 3HA GLY 27 29.044 -6.583 -21.360 218 H ASN 28 H ASN 28 29.830 -9.725 -19.946 219 HA ASN 28 HA ASN 28 29.979 -10.384 -17.769 220 HB2 ASN 28 2HB ASN 28 32.075 -8.705 -18.317 221 HB3 ASN 28 3HB ASN 28 31.390 -7.966 -16.873 222 HD21 ASN 28 1HD2 ASN 28 30.518 -10.116 -15.466 223 HD22 ASN 28 2HD2 ASN 28 31.856 -11.114 -15.018 224 H LYS 29 H LYS 29 27.792 -10.207 -17.220 225 HA LYS 29 HA LYS 29 26.471 -7.869 -16.450 226 HB2 LYS 29 2HB LYS 29 25.945 -10.651 -15.393 227 HB3 LYS 29 3HB LYS 29 24.806 -9.312 -15.449 228 HG2 LYS 29 2HG LYS 29 25.990 -10.736 -17.824 229 HG3 LYS 29 3HG LYS 29 24.345 -10.912 -17.208 230 HD2 LYS 29 2HD LYS 29 24.516 -8.215 -17.536 231 HD3 LYS 29 3HD LYS 29 25.530 -8.793 -18.860 232 HE2 LYS 29 2HE LYS 29 23.755 -10.075 -19.772 233 HE3 LYS 29 3HE LYS 29 22.765 -9.857 -18.330 234 HZ1 LYS 29 3HZ LYS 29 22.173 -7.764 -18.937 235 HZ2 LYS 29 1HZ LYS 29 22.398 -8.418 -20.481 236 HZ3 LYS 29 2HZ LYS 29 23.606 -7.462 -19.783 237 H ASP 30 H ASP 30 28.779 -9.806 -14.774 238 HA ASP 30 HA ASP 30 28.110 -8.684 -12.174 239 HB2 ASP 30 2HB ASP 30 30.358 -10.545 -12.974 240 HB3 ASP 30 3HB ASP 30 29.917 -10.111 -11.325 241 H LYS 31 H LYS 31 29.378 -7.282 -14.666 242 HA LYS 31 HA LYS 31 31.944 -6.427 -14.127 243 HB2 LYS 31 2HB LYS 31 31.400 -4.414 -15.427 244 HB3 LYS 31 3HB LYS 31 30.773 -5.868 -16.193 245 HG2 LYS 31 2HG LYS 31 28.604 -5.222 -14.831 246 HG3 LYS 31 3HG LYS 31 29.324 -3.612 -14.923 247 HD2 LYS 31 2HD LYS 31 29.552 -3.999 -17.413 248 HD3 LYS 31 3HD LYS 31 28.537 -5.427 -17.195 249 HE2 LYS 31 2HE LYS 31 26.993 -3.805 -17.775 250 HE3 LYS 31 3HE LYS 31 26.917 -3.784 -16.013 251 HZ1 LYS 31 3HZ LYS 31 27.160 -1.585 -17.399 252 HZ2 LYS 31 1HZ LYS 31 28.805 -1.975 -17.326 253 HZ3 LYS 31 2HZ LYS 31 27.922 -1.763 -15.899 254 H TRP 32 H TRP 32 28.906 -5.296 -12.752 255 HA TRP 32 HA TRP 32 30.032 -3.082 -11.359 256 HD1 TRP 32 HD1 TRP 32 26.639 -5.391 -12.888 257 HE1 TRP 32 HE1 TRP 32 25.330 -7.324 -11.803 258 HE3 TRP 32 HE3 TRP 32 27.682 -4.423 -7.978 259 HZ2 TRP 32 HZ2 TRP 32 24.808 -8.307 -9.209 260 HZ3 TRP 32 HZ3 TRP 32 26.739 -5.908 -6.257 261 HH2 TRP 32 HH2 TRP 32 25.332 -7.809 -6.862 262 HB2 TRP 32 2HB TRP 32 27.879 -3.054 -10.133 263 HB3 TRP 32 3HB TRP 32 27.658 -3.135 -11.879 264 H LYS 33 H LYS 33 29.558 -6.467 -10.619 265 HA LYS 33 HA LYS 33 29.910 -6.370 -7.837 266 HB2 LYS 33 2HB LYS 33 30.752 -8.603 -9.692 267 HB3 LYS 33 3HB LYS 33 30.403 -8.738 -7.973 268 HG2 LYS 33 2HG LYS 33 28.057 -7.908 -8.581 269 HG3 LYS 33 3HG LYS 33 28.502 -8.297 -10.244 270 HD2 LYS 33 2HD LYS 33 27.507 -10.262 -9.562 271 HD3 LYS 33 3HD LYS 33 29.207 -10.592 -9.216 272 HE2 LYS 33 2HE LYS 33 28.878 -10.030 -6.887 273 HE3 LYS 33 3HE LYS 33 27.209 -9.560 -7.205 274 HZ1 LYS 33 3HZ LYS 33 27.366 -12.103 -8.160 275 HZ2 LYS 33 1HZ LYS 33 26.703 -11.644 -6.673 276 HZ3 LYS 33 2HZ LYS 33 28.311 -12.163 -6.758 277 H ASN 34 H ASN 34 32.137 -5.950 -10.416 278 HA ASN 34 HA ASN 34 34.477 -6.566 -8.823 279 HB2 ASN 34 2HB ASN 34 33.907 -5.990 -11.643 280 HB3 ASN 34 3HB ASN 34 35.405 -5.269 -11.062 281 HD21 ASN 34 1HD2 ASN 34 33.663 -8.340 -10.669 282 HD22 ASN 34 2HD2 ASN 34 35.039 -9.348 -10.940 283 H ILE 35 H ILE 35 32.390 -4.119 -8.697 284 HA ILE 35 HA ILE 35 34.341 -1.954 -8.529 285 HB ILE 35 HB ILE 35 31.364 -1.803 -8.061 286 HG12 ILE 35 2HG1 ILE 35 32.937 -1.288 -10.595 287 HG13 ILE 35 3HG1 ILE 35 31.828 -2.627 -10.325 288 HG21 ILE 35 1HG2 ILE 35 31.589 0.435 -7.869 289 HG22 ILE 35 2HG2 ILE 35 33.227 0.010 -7.377 290 HG23 ILE 35 3HG2 ILE 35 32.909 0.511 -9.037 291 HD11 ILE 35 3HD1 ILE 35 30.695 -1.011 -11.631 292 HD12 ILE 35 1HD1 ILE 35 30.013 -0.936 -10.007 293 HD13 ILE 35 2HD1 ILE 35 31.161 0.292 -10.539 Start of MODEL 18 1 HA LYS 1 HA LYS 1 -2.005 -0.740 -5.172 2 H1 LYS 1 H LYS 1 -4.334 -1.762 -3.874 3 HB2 LYS 1 2HB LYS 1 -0.751 -0.348 -2.998 4 HB3 LYS 1 3HB LYS 1 -1.919 0.886 -3.455 5 HG2 LYS 1 2HG LYS 1 -3.309 0.413 -1.724 6 HG3 LYS 1 3HG LYS 1 -2.867 -1.295 -1.690 7 HD2 LYS 1 2HD LYS 1 -1.085 -0.946 -0.318 8 HD3 LYS 1 3HD LYS 1 -0.757 0.659 -0.974 9 HE2 LYS 1 2HE LYS 1 -3.089 1.180 0.189 10 HE3 LYS 1 3HE LYS 1 -2.594 -0.174 1.204 11 HZ1 LYS 1 3HZ LYS 1 -1.419 1.312 2.340 12 HZ2 LYS 1 1HZ LYS 1 -1.623 2.511 1.165 13 HZ3 LYS 1 2HZ LYS 1 -0.364 1.391 1.021 14 H LYS 2 H LYS 2 -2.255 -2.977 -5.866 15 HA LYS 2 HA LYS 2 -1.964 -5.137 -4.039 16 HB2 LYS 2 2HB LYS 2 -1.518 -4.995 -7.026 17 HB3 LYS 2 3HB LYS 2 -1.520 -6.485 -6.091 18 HG2 LYS 2 2HG LYS 2 -3.765 -6.522 -5.898 19 HG3 LYS 2 3HG LYS 2 -3.895 -4.765 -5.786 20 HD2 LYS 2 2HD LYS 2 -4.903 -5.366 -7.839 21 HD3 LYS 2 3HD LYS 2 -3.322 -4.698 -8.251 22 HE2 LYS 2 2HE LYS 2 -3.187 -7.550 -7.784 23 HE3 LYS 2 3HE LYS 2 -4.360 -7.156 -9.038 24 HZ1 LYS 2 3HZ LYS 2 -2.218 -7.480 -10.028 25 HZ2 LYS 2 1HZ LYS 2 -1.500 -6.363 -8.980 26 HZ3 LYS 2 2HZ LYS 2 -2.614 -5.839 -10.140 27 H TRP 3 H TRP 3 0.293 -3.443 -6.190 28 HA TRP 3 HA TRP 3 2.565 -3.384 -6.280 29 HD1 TRP 3 HD1 TRP 3 2.972 -1.354 -6.136 30 HE1 TRP 3 HE1 TRP 3 2.664 1.038 -5.236 31 HE3 TRP 3 HE3 TRP 3 2.031 -2.448 -1.231 32 HZ2 TRP 3 HZ2 TRP 3 2.098 2.294 -2.772 33 HZ3 TRP 3 HZ3 TRP 3 1.617 -0.593 0.332 34 HH2 TRP 3 HH2 TRP 3 1.651 1.728 -0.424 35 HB2 TRP 3 2HB TRP 3 2.065 -3.828 -3.348 36 HB3 TRP 3 3HB TRP 3 3.705 -3.705 -3.980 37 H GLY 4 H GLY 4 1.665 -5.681 -7.308 38 HA2 GLY 4 2HA GLY 4 3.068 -7.907 -6.038 39 HA3 GLY 4 3HA GLY 4 1.988 -8.011 -7.420 40 H TRP 5 H TRP 5 4.343 -5.533 -7.555 41 HA TRP 5 HA TRP 5 5.614 -6.800 -9.806 42 HD1 TRP 5 HD1 TRP 5 3.667 -5.803 -10.592 43 HE1 TRP 5 HE1 TRP 5 1.997 -4.003 -11.363 44 HE3 TRP 5 HE3 TRP 5 6.212 -1.635 -9.080 45 HZ2 TRP 5 HZ2 TRP 5 1.787 -1.188 -11.335 46 HZ3 TRP 5 HZ3 TRP 5 5.208 0.573 -9.490 47 HH2 TRP 5 HH2 TRP 5 3.041 0.790 -10.595 48 HB2 TRP 5 2HB TRP 5 6.333 -4.195 -8.447 49 HB3 TRP 5 3HB TRP 5 6.835 -4.718 -10.052 50 H LEU 6 H LEU 6 6.863 -5.453 -6.744 51 HA LEU 6 HA LEU 6 9.427 -6.593 -6.996 52 HG LEU 6 HG LEU 6 9.267 -4.141 -6.554 53 HB2 LEU 6 2HB LEU 6 7.952 -5.739 -4.509 54 HB3 LEU 6 3HB LEU 6 9.681 -6.064 -4.612 55 HD11 LEU 6 1HD1 LEU 6 7.789 -2.557 -5.863 56 HD12 LEU 6 2HD1 LEU 6 7.927 -3.006 -4.164 57 HD13 LEU 6 3HD1 LEU 6 6.960 -3.992 -5.260 58 HD21 LEU 6 3HD2 LEU 6 11.144 -4.334 -4.968 59 HD22 LEU 6 1HD2 LEU 6 10.097 -3.725 -3.685 60 HD23 LEU 6 2HD2 LEU 6 10.499 -2.693 -5.058 61 H ALA 7 H ALA 7 6.409 -7.857 -5.860 62 HA ALA 7 HA ALA 7 7.386 -9.989 -4.285 63 HB1 ALA 7 1HB ALA 7 4.942 -10.761 -5.491 64 HB2 ALA 7 2HB ALA 7 5.219 -10.166 -3.854 65 HB3 ALA 7 3HB ALA 7 4.855 -9.032 -5.155 66 H TRP 8 H TRP 8 7.010 -9.558 -7.717 67 HA TRP 8 HA TRP 8 7.431 -12.386 -8.262 68 HD1 TRP 8 HD1 TRP 8 4.840 -11.240 -7.812 69 HE1 TRP 8 HE1 TRP 8 2.656 -12.354 -8.595 70 HE3 TRP 8 HE3 TRP 8 6.128 -12.232 -12.659 71 HZ2 TRP 8 HZ2 TRP 8 1.617 -13.502 -10.955 72 HZ3 TRP 8 HZ3 TRP 8 4.482 -13.341 -14.113 73 HH2 TRP 8 HH2 TRP 8 2.274 -13.963 -13.277 74 HB2 TRP 8 2HB TRP 8 6.815 -9.985 -9.960 75 HB3 TRP 8 3HB TRP 8 7.405 -11.472 -10.697 76 H VAL 9 H VAL 9 9.198 -9.397 -8.192 77 HA VAL 9 HA VAL 9 11.424 -10.300 -9.744 78 HB VAL 9 HB VAL 9 11.249 -8.012 -7.778 79 HG11 VAL 9 1HG1 VAL 9 13.191 -7.211 -9.331 80 HG12 VAL 9 2HG1 VAL 9 13.521 -8.322 -8.000 81 HG13 VAL 9 3HG1 VAL 9 13.384 -8.935 -9.649 82 HG21 VAL 9 3HG2 VAL 9 10.291 -8.366 -10.499 83 HG22 VAL 9 1HG2 VAL 9 9.937 -7.093 -9.331 84 HG23 VAL 9 2HG2 VAL 9 11.379 -6.988 -10.341 85 H ASP 10 H ASP 10 10.469 -10.563 -6.428 86 HA ASP 10 HA ASP 10 12.957 -10.967 -5.207 87 HB2 ASP 10 2HB ASP 10 10.161 -11.354 -4.520 88 HB3 ASP 10 3HB ASP 10 11.174 -12.630 -3.852 89 HA PRO 11 HA PRO 11 12.366 -15.699 -5.941 90 HB2 PRO 11 2HB PRO 11 10.343 -16.473 -7.577 91 HB3 PRO 11 3HB PRO 11 10.143 -16.267 -5.833 92 HG2 PRO 11 2HG PRO 11 9.422 -14.397 -8.056 93 HG3 PRO 11 3HG PRO 11 8.496 -14.818 -6.604 94 HD2 PRO 11 2HD PRO 11 9.922 -12.526 -6.808 95 HD3 PRO 11 3HD PRO 11 9.698 -13.377 -5.266 96 H ALA 12 H ALA 12 11.683 -13.471 -8.558 97 HA ALA 12 HA ALA 12 12.747 -15.114 -10.639 98 HB1 ALA 12 1HB ALA 12 12.642 -13.066 -12.002 99 HB2 ALA 12 2HB ALA 12 11.130 -13.388 -11.152 100 HB3 ALA 12 3HB ALA 12 12.230 -12.144 -10.556 101 H TYR 13 H TYR 13 13.988 -12.257 -8.907 102 HA TYR 13 HA TYR 13 16.491 -12.167 -10.158 103 HD1 TYR 13 HD1 TYR 13 18.606 -11.391 -7.184 104 HD2 TYR 13 HD2 TYR 13 16.525 -9.001 -10.022 105 HE1 TYR 13 HE1 TYR 13 20.652 -10.082 -7.572 106 HE2 TYR 13 HE2 TYR 13 18.566 -7.686 -10.420 107 HH TYR 13 HH TYR 13 21.515 -8.608 -9.713 108 HB2 TYR 13 2HB TYR 13 15.319 -10.466 -8.562 109 HB3 TYR 13 3HB TYR 13 16.139 -11.362 -7.288 110 H GLU 14 H GLU 14 15.496 -13.730 -7.124 111 HA GLU 14 HA GLU 14 18.012 -14.742 -6.413 112 HB2 GLU 14 2HB GLU 14 16.867 -16.134 -4.857 113 HB3 GLU 14 3HB GLU 14 15.964 -14.628 -4.950 114 HG2 GLU 14 2HG GLU 14 14.316 -15.661 -6.382 115 HG3 GLU 14 3HG GLU 14 15.245 -17.159 -6.410 116 H PHE 15 H PHE 15 15.674 -15.813 -8.736 117 HA PHE 15 HA PHE 15 16.620 -18.490 -8.986 118 HD1 PHE 15 HD1 PHE 15 13.441 -18.466 -8.456 119 HD2 PHE 15 HD2 PHE 15 15.418 -19.895 -11.945 120 HE1 PHE 15 HE1 PHE 15 12.317 -20.639 -8.199 121 HE2 PHE 15 HE2 PHE 15 14.296 -22.070 -11.694 122 HZ PHE 15 HZ PHE 15 12.743 -22.444 -9.820 123 HB2 PHE 15 2HB PHE 15 14.502 -16.938 -10.054 124 HB3 PHE 15 3HB PHE 15 15.418 -17.568 -11.419 125 H ILE 16 H ILE 16 17.169 -15.512 -10.838 126 HA ILE 16 HA ILE 16 18.890 -16.656 -12.759 127 HB ILE 16 HB ILE 16 18.875 -13.788 -11.817 128 HG12 ILE 16 2HG1 ILE 16 16.623 -14.455 -12.454 129 HG13 ILE 16 3HG1 ILE 16 17.300 -13.400 -13.689 130 HG21 ILE 16 1HG2 ILE 16 19.969 -15.181 -14.234 131 HG22 ILE 16 2HG2 ILE 16 19.562 -13.466 -14.273 132 HG23 ILE 16 3HG2 ILE 16 20.775 -14.059 -13.139 133 HD11 ILE 16 3HD1 ILE 16 16.333 -15.026 -14.969 134 HD12 ILE 16 1HD1 ILE 16 17.973 -15.656 -14.818 135 HD13 ILE 16 2HD1 ILE 16 16.683 -16.305 -13.806 136 H LYS 17 H LYS 17 19.390 -15.585 -9.504 137 HA LYS 17 HA LYS 17 22.137 -15.082 -9.524 138 HB2 LYS 17 2HB LYS 17 20.235 -16.044 -7.407 139 HB3 LYS 17 3HB LYS 17 21.955 -15.906 -7.067 140 HG2 LYS 17 2HG LYS 17 20.982 -13.508 -8.319 141 HG3 LYS 17 3HG LYS 17 20.022 -13.904 -6.892 142 HD2 LYS 17 2HD LYS 17 21.927 -13.886 -5.489 143 HD3 LYS 17 3HD LYS 17 23.031 -13.885 -6.866 144 HE2 LYS 17 2HE LYS 17 22.522 -11.650 -7.403 145 HE3 LYS 17 3HE LYS 17 21.090 -11.645 -6.375 146 HZ1 LYS 17 3HZ LYS 17 23.920 -11.429 -5.616 147 HZ2 LYS 17 1HZ LYS 17 22.824 -12.101 -4.515 148 HZ3 LYS 17 2HZ LYS 17 22.593 -10.525 -5.083 149 H GLY 18 H GLY 18 20.403 -18.039 -9.825 150 HA2 GLY 18 2HA GLY 18 22.950 -19.522 -9.591 151 HA3 GLY 18 3HA GLY 18 21.414 -20.193 -9.061 152 H PHE 19 H PHE 19 19.977 -19.055 -11.370 153 HA PHE 19 HA PHE 19 20.516 -21.217 -13.206 154 HD1 PHE 19 HD2 PHE 19 18.562 -18.197 -15.359 155 HD2 PHE 19 HD1 PHE 19 18.040 -22.357 -14.623 156 HE1 PHE 19 HE2 PHE 19 17.925 -18.530 -17.712 157 HE2 PHE 19 HE1 PHE 19 17.403 -22.696 -16.976 158 HZ PHE 19 HZ PHE 19 17.344 -20.781 -18.523 159 HB2 PHE 19 2HB PHE 19 18.213 -20.787 -12.804 160 HB3 PHE 19 3HB PHE 19 18.409 -19.063 -13.101 161 H GLY 20 H GLY 20 21.103 -17.797 -13.014 162 HA2 GLY 20 2HA GLY 20 22.693 -17.961 -15.456 163 HA3 GLY 20 3HA GLY 20 21.380 -16.792 -15.450 164 H LYS 21 H LYS 21 23.946 -17.787 -13.177 165 HA LYS 21 HA LYS 21 24.228 -15.253 -11.998 166 HB2 LYS 21 2HB LYS 21 26.243 -16.114 -10.990 167 HB3 LYS 21 3HB LYS 21 25.026 -17.384 -10.997 168 HG2 LYS 21 2HG LYS 21 26.608 -17.516 -13.389 169 HG3 LYS 21 3HG LYS 21 27.645 -17.521 -11.961 170 HD2 LYS 21 2HD LYS 21 25.231 -19.268 -11.983 171 HD3 LYS 21 3HD LYS 21 26.640 -19.758 -12.928 172 HE2 LYS 21 2HE LYS 21 28.021 -19.813 -11.004 173 HE3 LYS 21 3HE LYS 21 26.812 -18.981 -10.026 174 HZ1 LYS 21 3HZ LYS 21 25.376 -20.922 -10.231 175 HZ2 LYS 21 1HZ LYS 21 26.859 -21.336 -9.529 176 HZ3 LYS 21 2HZ LYS 21 26.553 -21.719 -11.148 177 H GLY 22 H GLY 22 25.295 -16.461 -15.012 178 HA2 GLY 22 2HA GLY 22 27.432 -14.489 -15.269 179 HA3 GLY 22 3HA GLY 22 27.016 -15.731 -16.441 180 H ALA 23 H ALA 23 25.288 -15.371 -17.888 181 HA ALA 23 HA ALA 23 24.189 -14.084 -19.419 182 HB1 ALA 23 1HB ALA 23 23.336 -12.922 -16.793 183 HB2 ALA 23 2HB ALA 23 22.723 -12.276 -18.316 184 HB3 ALA 23 3HB ALA 23 22.436 -13.964 -17.895 185 H ILE 24 H ILE 24 26.469 -13.392 -20.024 186 HA ILE 24 HA ILE 24 27.220 -10.697 -19.319 187 HB ILE 24 HB ILE 24 28.402 -12.503 -21.430 188 HG12 ILE 24 2HG1 ILE 24 28.526 -13.514 -19.197 189 HG13 ILE 24 3HG1 ILE 24 30.121 -13.021 -19.755 190 HG21 ILE 24 1HG2 ILE 24 28.978 -10.202 -21.825 191 HG22 ILE 24 2HG2 ILE 24 29.423 -9.982 -20.134 192 HG23 ILE 24 3HG2 ILE 24 30.386 -11.036 -21.169 193 HD11 ILE 24 3HD1 ILE 24 28.707 -12.264 -17.386 194 HD12 ILE 24 1HD1 ILE 24 30.378 -11.940 -17.846 195 HD13 ILE 24 2HD1 ILE 24 29.096 -10.835 -18.344 196 H LYS 25 H LYS 25 25.431 -12.263 -21.825 197 HA LYS 25 HA LYS 25 25.689 -10.346 -23.870 198 HB2 LYS 25 2HB LYS 25 23.508 -11.303 -24.689 199 HB3 LYS 25 3HB LYS 25 24.786 -12.482 -24.425 200 HG2 LYS 25 2HG LYS 25 23.425 -13.637 -23.124 201 HG3 LYS 25 3HG LYS 25 23.348 -12.272 -22.008 202 HD2 LYS 25 2HD LYS 25 21.112 -12.705 -22.569 203 HD3 LYS 25 3HD LYS 25 21.562 -11.323 -23.572 204 HE2 LYS 25 2HE LYS 25 21.218 -12.467 -25.457 205 HE3 LYS 25 3HE LYS 25 22.141 -13.850 -24.872 206 HZ1 LYS 25 3HZ LYS 25 19.845 -14.446 -25.312 207 HZ2 LYS 25 1HZ LYS 25 19.301 -13.269 -24.224 208 HZ3 LYS 25 2HZ LYS 25 20.186 -14.596 -23.662 209 H GLU 26 H GLU 26 23.680 -10.490 -21.013 210 HA GLU 26 HA GLU 26 21.803 -8.514 -21.727 211 HB2 GLU 26 2HB GLU 26 22.809 -9.294 -18.984 212 HB3 GLU 26 3HB GLU 26 21.371 -8.335 -19.303 213 HG2 GLU 26 2HG GLU 26 21.578 -11.001 -20.586 214 HG3 GLU 26 3HG GLU 26 21.252 -10.931 -18.855 215 H GLY 27 H GLY 27 25.058 -8.338 -20.471 216 HA2 GLY 27 2HA GLY 27 26.117 -6.144 -21.194 217 HA3 GLY 27 3HA GLY 27 24.805 -5.403 -20.289 218 H ASN 28 H ASN 28 27.978 -6.167 -20.141 219 HA ASN 28 HA ASN 28 28.081 -5.738 -17.299 220 HB2 ASN 28 2HB ASN 28 28.238 -8.428 -18.355 221 HB3 ASN 28 3HB ASN 28 29.737 -7.988 -17.542 222 HD21 ASN 28 1HD2 ASN 28 26.312 -8.472 -17.180 223 HD22 ASN 28 2HD2 ASN 28 26.303 -8.553 -15.455 224 H LYS 29 H LYS 29 29.213 -3.885 -18.044 225 HA LYS 29 HA LYS 29 31.648 -4.161 -19.544 226 HB2 LYS 29 2HB LYS 29 30.106 -1.926 -18.336 227 HB3 LYS 29 3HB LYS 29 31.826 -1.661 -18.595 228 HG2 LYS 29 2HG LYS 29 31.427 -1.192 -20.716 229 HG3 LYS 29 3HG LYS 29 30.784 -2.819 -20.955 230 HD2 LYS 29 2HD LYS 29 29.078 -1.316 -21.627 231 HD3 LYS 29 3HD LYS 29 28.590 -1.952 -20.053 232 HE2 LYS 29 2HE LYS 29 29.413 0.069 -18.970 233 HE3 LYS 29 3HE LYS 29 29.955 0.698 -20.525 234 HZ1 LYS 29 3HZ LYS 29 27.492 0.374 -21.179 235 HZ2 LYS 29 1HZ LYS 29 27.929 1.720 -20.251 236 HZ3 LYS 29 2HZ LYS 29 27.211 0.379 -19.511 237 H ASP 30 H ASP 30 31.002 -2.924 -16.257 238 HA ASP 30 HA ASP 30 33.766 -3.425 -15.516 239 HB2 ASP 30 2HB ASP 30 33.219 -2.282 -13.437 240 HB3 ASP 30 3HB ASP 30 32.643 -1.338 -14.807 241 H LYS 31 H LYS 31 32.712 -5.803 -16.096 242 HA LYS 31 HA LYS 31 31.574 -7.069 -13.766 243 HB2 LYS 31 2HB LYS 31 31.798 -9.153 -15.132 244 HB3 LYS 31 3HB LYS 31 30.858 -7.883 -15.904 245 HG2 LYS 31 2HG LYS 31 32.147 -8.095 -17.688 246 HG3 LYS 31 3HG LYS 31 33.498 -7.478 -16.735 247 HD2 LYS 31 2HD LYS 31 33.613 -9.980 -15.910 248 HD3 LYS 31 3HD LYS 31 32.785 -10.285 -17.438 249 HE2 LYS 31 2HE LYS 31 35.066 -8.466 -17.658 250 HE3 LYS 31 3HE LYS 31 35.494 -10.087 -17.113 251 HZ1 LYS 31 3HZ LYS 31 33.920 -10.730 -19.107 252 HZ2 LYS 31 1HZ LYS 31 35.564 -10.405 -19.343 253 HZ3 LYS 31 2HZ LYS 31 34.409 -9.216 -19.681 254 H TRP 32 H TRP 32 34.722 -6.627 -15.164 255 HA TRP 32 HA TRP 32 36.086 -8.735 -13.896 256 HD1 TRP 32 HD1 TRP 32 35.991 -5.582 -16.895 257 HE1 TRP 32 HE1 TRP 32 36.187 -3.029 -16.630 258 HE3 TRP 32 HE3 TRP 32 38.502 -5.419 -12.445 259 HZ2 TRP 32 HZ2 TRP 32 37.264 -1.190 -14.779 260 HZ3 TRP 32 HZ3 TRP 32 39.078 -3.223 -11.495 261 HH2 TRP 32 HH2 TRP 32 38.471 -1.154 -12.640 262 HB2 TRP 32 2HB TRP 32 38.121 -7.269 -14.245 263 HB3 TRP 32 3HB TRP 32 37.176 -7.613 -15.692 264 H LYS 33 H LYS 33 34.723 -5.880 -12.645 265 HA LYS 33 HA LYS 33 36.432 -5.275 -10.519 266 HB2 LYS 33 2HB LYS 33 33.418 -5.048 -10.540 267 HB3 LYS 33 3HB LYS 33 34.527 -4.160 -9.503 268 HG2 LYS 33 2HG LYS 33 34.687 -3.937 -12.485 269 HG3 LYS 33 3HG LYS 33 33.542 -2.971 -11.551 270 HD2 LYS 33 2HD LYS 33 36.472 -3.053 -10.886 271 HD3 LYS 33 3HD LYS 33 35.814 -1.924 -12.073 272 HE2 LYS 33 2HE LYS 33 35.364 -0.552 -10.380 273 HE3 LYS 33 3HE LYS 33 34.129 -1.702 -9.868 274 HZ1 LYS 33 3HZ LYS 33 36.525 -2.692 -8.926 275 HZ2 LYS 33 1HZ LYS 33 35.294 -1.969 -8.019 276 HZ3 LYS 33 2HZ LYS 33 36.574 -1.032 -8.604 277 H ASN 34 H ASN 34 34.203 -7.884 -10.965 278 HA ASN 34 HA ASN 34 34.286 -8.618 -8.142 279 HB2 ASN 34 2HB ASN 34 32.513 -9.157 -10.381 280 HB3 ASN 34 3HB ASN 34 32.950 -10.636 -9.531 281 HD21 ASN 34 1HD2 ASN 34 31.963 -7.301 -8.829 282 HD22 ASN 34 2HD2 ASN 34 30.900 -7.710 -7.530 283 H ILE 35 H ILE 35 36.434 -8.868 -10.457 284 HA ILE 35 HA ILE 35 37.424 -11.450 -9.492 285 HB ILE 35 HB ILE 35 37.208 -10.679 -12.401 286 HG12 ILE 35 2HG1 ILE 35 36.328 -13.299 -11.282 287 HG13 ILE 35 3HG1 ILE 35 35.331 -11.886 -10.950 288 HG21 ILE 35 1HG2 ILE 35 38.254 -13.203 -12.359 289 HG22 ILE 35 2HG2 ILE 35 39.172 -11.725 -12.638 290 HG23 ILE 35 3HG2 ILE 35 39.101 -12.425 -11.022 291 HD11 ILE 35 3HD1 ILE 35 35.171 -11.471 -13.369 292 HD12 ILE 35 1HD1 ILE 35 36.096 -12.943 -13.660 293 HD13 ILE 35 2HD1 ILE 35 34.509 -13.035 -12.895 Start of MODEL 19 1 HA LYS 1 HA LYS 1 -1.078 -0.628 -4.697 2 H1 LYS 1 H LYS 1 -3.122 -1.141 -3.472 3 HB2 LYS 1 2HB LYS 1 -0.196 0.603 -2.081 4 HB3 LYS 1 3HB LYS 1 0.718 0.563 -3.583 5 HG2 LYS 1 2HG LYS 1 -0.849 2.041 -4.641 6 HG3 LYS 1 3HG LYS 1 -1.915 1.981 -3.236 7 HD2 LYS 1 2HD LYS 1 0.896 2.846 -2.809 8 HD3 LYS 1 3HD LYS 1 -0.197 3.970 -3.621 9 HE2 LYS 1 2HE LYS 1 -0.860 4.588 -1.584 10 HE3 LYS 1 3HE LYS 1 -1.688 3.035 -1.493 11 HZ1 LYS 1 3HZ LYS 1 0.744 2.306 -0.752 12 HZ2 LYS 1 1HZ LYS 1 -0.425 2.842 0.348 13 HZ3 LYS 1 2HZ LYS 1 0.770 3.905 -0.202 14 H LYS 2 H LYS 2 -1.425 -2.961 -4.442 15 HA LYS 2 HA LYS 2 -0.564 -4.460 -2.254 16 HB2 LYS 2 2HB LYS 2 -0.326 -6.331 -3.906 17 HB3 LYS 2 3HB LYS 2 -1.880 -5.508 -3.956 18 HG2 LYS 2 2HG LYS 2 -0.233 -4.167 -5.787 19 HG3 LYS 2 3HG LYS 2 0.039 -5.892 -6.044 20 HD2 LYS 2 2HD LYS 2 -2.673 -5.791 -5.780 21 HD3 LYS 2 3HD LYS 2 -2.335 -4.253 -6.576 22 HE2 LYS 2 2HE LYS 2 -0.754 -6.155 -7.890 23 HE3 LYS 2 3HE LYS 2 -2.326 -6.920 -7.661 24 HZ1 LYS 2 3HZ LYS 2 -3.354 -4.954 -8.676 25 HZ2 LYS 2 1HZ LYS 2 -2.285 -5.729 -9.734 26 HZ3 LYS 2 2HZ LYS 2 -1.821 -4.298 -8.961 27 H TRP 3 H TRP 3 1.236 -2.884 -4.760 28 HA TRP 3 HA TRP 3 3.462 -2.659 -5.168 29 HD1 TRP 3 HD1 TRP 3 3.735 -0.622 -4.919 30 HE1 TRP 3 HE1 TRP 3 3.457 1.672 -3.785 31 HE3 TRP 3 HE3 TRP 3 3.729 -2.127 -0.033 32 HZ2 TRP 3 HZ2 TRP 3 3.262 2.706 -1.166 33 HZ3 TRP 3 HZ3 TRP 3 3.493 -0.423 1.726 34 HH2 TRP 3 HH2 TRP 3 3.265 1.944 1.169 35 HB2 TRP 3 2HB TRP 3 3.455 -3.347 -2.239 36 HB3 TRP 3 3HB TRP 3 4.963 -3.068 -3.105 37 H GLY 4 H GLY 4 2.527 -4.926 -6.229 38 HA2 GLY 4 2HA GLY 4 4.214 -7.149 -5.368 39 HA3 GLY 4 3HA GLY 4 2.939 -7.218 -6.576 40 H TRP 5 H TRP 5 5.130 -4.602 -6.858 41 HA TRP 5 HA TRP 5 6.096 -5.626 -9.371 42 HD1 TRP 5 HD1 TRP 5 4.004 -4.696 -9.776 43 HE1 TRP 5 HE1 TRP 5 2.149 -2.950 -10.141 44 HE3 TRP 5 HE3 TRP 5 6.543 -0.499 -8.333 45 HZ2 TRP 5 HZ2 TRP 5 1.807 -0.163 -9.855 46 HZ3 TRP 5 HZ3 TRP 5 5.379 1.667 -8.409 47 HH2 TRP 5 HH2 TRP 5 3.060 1.830 -9.155 48 HB2 TRP 5 2HB TRP 5 6.887 -3.085 -7.933 49 HB3 TRP 5 3HB TRP 5 7.160 -3.462 -9.632 50 H LEU 6 H LEU 6 7.732 -4.428 -6.432 51 HA LEU 6 HA LEU 6 10.260 -5.490 -7.185 52 HG LEU 6 HG LEU 6 9.416 -2.953 -6.554 53 HB2 LEU 6 2HB LEU 6 9.436 -4.816 -4.379 54 HB3 LEU 6 3HB LEU 6 11.044 -4.739 -5.097 55 HD11 LEU 6 1HD1 LEU 6 8.234 -1.693 -5.080 56 HD12 LEU 6 2HD1 LEU 6 9.283 -2.093 -3.720 57 HD13 LEU 6 3HD1 LEU 6 8.082 -3.257 -4.279 58 HD21 LEU 6 3HD2 LEU 6 11.626 -2.374 -6.398 59 HD22 LEU 6 1HD2 LEU 6 11.734 -2.805 -4.691 60 HD23 LEU 6 2HD2 LEU 6 10.935 -1.308 -5.173 61 H ALA 7 H ALA 7 7.518 -6.751 -5.478 62 HA ALA 7 HA ALA 7 8.819 -8.873 -4.123 63 HB1 ALA 7 1HB ALA 7 5.954 -8.877 -5.038 64 HB2 ALA 7 2HB ALA 7 6.659 -9.715 -3.655 65 HB3 ALA 7 3HB ALA 7 6.516 -7.957 -3.642 66 H TRP 8 H TRP 8 7.633 -8.467 -7.375 67 HA TRP 8 HA TRP 8 7.920 -11.299 -7.981 68 HD1 TRP 8 HD1 TRP 8 5.373 -9.901 -7.020 69 HE1 TRP 8 HE1 TRP 8 3.127 -11.140 -7.230 70 HE3 TRP 8 HE3 TRP 8 5.804 -11.552 -11.839 71 HZ2 TRP 8 HZ2 TRP 8 1.723 -12.621 -9.180 72 HZ3 TRP 8 HZ3 TRP 8 3.965 -12.874 -12.802 73 HH2 TRP 8 HH2 TRP 8 1.968 -13.397 -11.498 74 HB2 TRP 8 2HB TRP 8 6.907 -8.913 -9.496 75 HB3 TRP 8 3HB TRP 8 7.318 -10.398 -10.350 76 H VAL 9 H VAL 9 9.616 -8.287 -8.432 77 HA VAL 9 HA VAL 9 11.448 -9.303 -10.398 78 HB VAL 9 HB VAL 9 11.628 -6.821 -8.684 79 HG11 VAL 9 1HG1 VAL 9 13.397 -7.991 -10.739 80 HG12 VAL 9 2HG1 VAL 9 13.097 -6.256 -10.858 81 HG13 VAL 9 3HG1 VAL 9 13.777 -6.935 -9.379 82 HG21 VAL 9 3HG2 VAL 9 11.133 -6.320 -11.454 83 HG22 VAL 9 1HG2 VAL 9 9.922 -7.446 -10.840 84 HG23 VAL 9 2HG2 VAL 9 10.152 -5.883 -10.055 85 H ASP 10 H ASP 10 11.324 -9.112 -6.924 86 HA ASP 10 HA ASP 10 13.989 -9.339 -6.228 87 HB2 ASP 10 2HB ASP 10 11.421 -9.926 -4.972 88 HB3 ASP 10 3HB ASP 10 12.703 -11.001 -4.420 89 HA PRO 11 HA PRO 11 13.682 -14.145 -6.535 90 HB2 PRO 11 2HB PRO 11 11.452 -15.190 -7.677 91 HB3 PRO 11 3HB PRO 11 11.582 -14.864 -5.945 92 HG2 PRO 11 2HG PRO 11 10.277 -13.231 -8.087 93 HG3 PRO 11 3HG PRO 11 9.695 -13.604 -6.454 94 HD2 PRO 11 2HD PRO 11 10.847 -11.236 -7.083 95 HD3 PRO 11 3HD PRO 11 11.006 -11.979 -5.479 96 H ALA 12 H ALA 12 12.495 -12.066 -9.047 97 HA ALA 12 HA ALA 12 13.096 -13.788 -11.244 98 HB1 ALA 12 1HB ALA 12 12.854 -10.788 -11.320 99 HB2 ALA 12 2HB ALA 12 12.603 -11.929 -12.642 100 HB3 ALA 12 3HB ALA 12 11.468 -11.878 -11.293 101 H TYR 13 H TYR 13 14.723 -10.928 -9.876 102 HA TYR 13 HA TYR 13 16.942 -10.964 -11.586 103 HD1 TYR 13 HD2 TYR 13 19.706 -9.663 -9.687 104 HD2 TYR 13 HD1 TYR 13 16.327 -7.849 -11.530 105 HE1 TYR 13 HE2 TYR 13 21.197 -8.119 -10.888 106 HE2 TYR 13 HE1 TYR 13 17.809 -6.300 -12.737 107 HH TYR 13 HH TYR 13 20.344 -6.402 -13.504 108 HB2 TYR 13 2HB TYR 13 16.063 -9.305 -9.607 109 HB3 TYR 13 3HB TYR 13 17.459 -10.048 -8.834 110 H GLU 14 H GLU 14 16.557 -12.315 -8.315 111 HA GLU 14 HA GLU 14 19.114 -13.398 -8.056 112 HB2 GLU 14 2HB GLU 14 18.260 -14.678 -6.250 113 HB3 GLU 14 3HB GLU 14 17.352 -13.173 -6.257 114 HG2 GLU 14 2HG GLU 14 15.495 -14.292 -7.375 115 HG3 GLU 14 3HG GLU 14 16.406 -15.801 -7.379 116 H PHE 15 H PHE 15 16.347 -14.514 -9.833 117 HA PHE 15 HA PHE 15 17.180 -17.215 -10.147 118 HD1 PHE 15 HD2 PHE 15 14.928 -18.906 -10.350 119 HD2 PHE 15 HD1 PHE 15 15.621 -16.772 -13.967 120 HE1 PHE 15 HE2 PHE 15 14.537 -20.966 -11.636 121 HE2 PHE 15 HE1 PHE 15 15.230 -18.829 -15.260 122 HZ PHE 15 HZ PHE 15 14.689 -20.930 -14.094 123 HB2 PHE 15 2HB PHE 15 14.837 -16.427 -10.466 124 HB3 PHE 15 3HB PHE 15 15.349 -15.602 -11.934 125 H ILE 16 H ILE 16 17.518 -14.303 -12.135 126 HA ILE 16 HA ILE 16 18.777 -15.548 -14.331 127 HB ILE 16 HB ILE 16 19.078 -12.686 -13.414 128 HG12 ILE 16 2HG1 ILE 16 16.723 -13.287 -13.714 129 HG13 ILE 16 3HG1 ILE 16 17.253 -12.200 -14.993 130 HG21 ILE 16 1HG2 ILE 16 19.308 -12.513 -16.043 131 HG22 ILE 16 2HG2 ILE 16 20.696 -12.853 -15.011 132 HG23 ILE 16 3HG2 ILE 16 19.883 -14.170 -15.857 133 HD11 ILE 16 3HD1 ILE 16 17.554 -14.190 -16.456 134 HD12 ILE 16 1HD1 ILE 16 16.823 -15.168 -15.184 135 HD13 ILE 16 2HD1 ILE 16 15.888 -13.890 -15.961 136 H LYS 17 H LYS 17 19.944 -14.515 -11.237 137 HA LYS 17 HA LYS 17 22.680 -14.243 -11.825 138 HB2 LYS 17 2HB LYS 17 21.177 -14.922 -9.308 139 HB3 LYS 17 3HB LYS 17 22.934 -14.851 -9.335 140 HG2 LYS 17 2HG LYS 17 21.532 -12.519 -10.466 141 HG3 LYS 17 3HG LYS 17 21.367 -12.763 -8.726 142 HD2 LYS 17 2HD LYS 17 23.511 -12.216 -8.326 143 HD3 LYS 17 3HD LYS 17 24.098 -13.092 -9.742 144 HE2 LYS 17 2HE LYS 17 24.249 -11.210 -10.915 145 HE3 LYS 17 3HE LYS 17 22.576 -10.791 -10.549 146 HZ1 LYS 17 3HZ LYS 17 24.875 -9.567 -9.594 147 HZ2 LYS 17 1HZ LYS 17 24.182 -10.362 -8.271 148 HZ3 LYS 17 2HZ LYS 17 23.275 -9.240 -9.154 149 H GLY 18 H GLY 18 20.666 -17.041 -11.291 150 HA2 GLY 18 2HA GLY 18 22.960 -18.823 -11.066 151 HA3 GLY 18 3HA GLY 18 21.267 -19.285 -10.974 152 H PHE 19 H PHE 19 20.436 -18.028 -13.400 153 HA PHE 19 HA PHE 19 21.041 -20.104 -15.228 154 HD1 PHE 19 HD2 PHE 19 18.579 -20.512 -14.414 155 HD2 PHE 19 HD1 PHE 19 18.912 -18.902 -18.340 156 HE1 PHE 19 HE2 PHE 19 17.110 -22.292 -15.266 157 HE2 PHE 19 HE1 PHE 19 17.442 -20.679 -19.198 158 HZ PHE 19 HZ PHE 19 16.540 -22.378 -17.660 159 HB2 PHE 19 2HB PHE 19 19.190 -17.943 -15.057 160 HB3 PHE 19 3HB PHE 19 19.990 -17.850 -16.623 161 H GLY 20 H GLY 20 22.357 -16.916 -14.690 162 HA2 GLY 20 2HA GLY 20 24.375 -17.477 -16.760 163 HA3 GLY 20 3HA GLY 20 23.568 -15.916 -16.730 164 H LYS 21 H LYS 21 24.902 -17.972 -14.149 165 HA LYS 21 HA LYS 21 25.913 -15.818 -12.656 166 HB2 LYS 21 2HB LYS 21 27.009 -17.463 -11.296 167 HB3 LYS 21 3HB LYS 21 25.445 -18.111 -11.775 168 HG2 LYS 21 2HG LYS 21 27.389 -18.887 -13.708 169 HG3 LYS 21 3HG LYS 21 27.993 -19.272 -12.095 170 HD2 LYS 21 2HD LYS 21 25.167 -19.942 -12.592 171 HD3 LYS 21 3HD LYS 21 26.345 -20.874 -13.518 172 HE2 LYS 21 2HE LYS 21 27.510 -21.026 -11.133 173 HE3 LYS 21 3HE LYS 21 25.848 -20.796 -10.592 174 HZ1 LYS 21 3HZ LYS 21 25.527 -22.944 -10.947 175 HZ2 LYS 21 1HZ LYS 21 27.070 -23.127 -11.617 176 HZ3 LYS 21 2HZ LYS 21 25.766 -22.696 -12.604 177 H GLY 22 H GLY 22 27.107 -17.368 -15.459 178 HA2 GLY 22 2HA GLY 22 29.617 -15.846 -15.196 179 HA3 GLY 22 3HA GLY 22 29.655 -17.528 -15.705 180 H ALA 23 H ALA 23 26.979 -15.648 -16.756 181 HA ALA 23 HA ALA 23 27.716 -15.993 -19.501 182 HB1 ALA 23 1HB ALA 23 25.582 -15.290 -20.031 183 HB2 ALA 23 2HB ALA 23 25.354 -15.966 -18.417 184 HB3 ALA 23 3HB ALA 23 25.474 -14.220 -18.633 185 H ILE 24 H ILE 24 29.777 -14.769 -19.266 186 HA ILE 24 HA ILE 24 29.642 -11.914 -18.974 187 HB ILE 24 HB ILE 24 31.917 -13.628 -19.978 188 HG12 ILE 24 2HG1 ILE 24 31.258 -14.219 -17.694 189 HG13 ILE 24 3HG1 ILE 24 32.813 -13.396 -17.697 190 HG21 ILE 24 1HG2 ILE 24 31.769 -10.742 -19.144 191 HG22 ILE 24 2HG2 ILE 24 33.283 -11.636 -19.263 192 HG23 ILE 24 3HG2 ILE 24 32.284 -11.400 -20.697 193 HD11 ILE 24 3HD1 ILE 24 30.165 -12.137 -17.024 194 HD12 ILE 24 1HD1 ILE 24 31.393 -12.649 -15.867 195 HD13 ILE 24 2HD1 ILE 24 31.735 -11.336 -16.994 196 H LYS 25 H LYS 25 29.428 -14.172 -21.580 197 HA LYS 25 HA LYS 25 30.145 -12.407 -23.692 198 HB2 LYS 25 2HB LYS 25 29.100 -14.089 -25.161 199 HB3 LYS 25 3HB LYS 25 30.209 -14.817 -24.005 200 HG2 LYS 25 2HG LYS 25 28.560 -16.251 -23.584 201 HG3 LYS 25 3HG LYS 25 27.815 -14.931 -22.679 202 HD2 LYS 25 2HD LYS 25 26.135 -15.705 -24.131 203 HD3 LYS 25 3HD LYS 25 26.751 -14.233 -24.886 204 HE2 LYS 25 2HE LYS 25 28.375 -16.042 -26.025 205 HE3 LYS 25 3HE LYS 25 26.956 -17.052 -25.755 206 HZ1 LYS 25 3HZ LYS 25 27.073 -14.515 -27.291 207 HZ2 LYS 25 1HZ LYS 25 25.636 -15.324 -26.911 208 HZ3 LYS 25 2HZ LYS 25 26.787 -16.066 -27.903 209 H GLU 26 H GLU 26 27.132 -13.183 -22.057 210 HA GLU 26 HA GLU 26 25.343 -11.991 -23.849 211 HB2 GLU 26 2HB GLU 26 25.127 -12.202 -20.841 212 HB3 GLU 26 3HB GLU 26 23.798 -11.856 -21.937 213 HG2 GLU 26 2HG GLU 26 25.418 -14.363 -22.180 214 HG3 GLU 26 3HG GLU 26 24.053 -14.242 -21.072 215 H GLY 27 H GLY 27 27.330 -10.619 -21.296 216 HA2 GLY 27 2HA GLY 27 27.790 -8.162 -22.183 217 HA3 GLY 27 3HA GLY 27 26.126 -7.986 -21.648 218 H ASN 28 H ASN 28 25.892 -9.172 -19.334 219 HA ASN 28 HA ASN 28 26.216 -8.809 -17.106 220 HB2 ASN 28 2HB ASN 28 28.397 -10.187 -18.114 221 HB3 ASN 28 3HB ASN 28 29.135 -8.884 -17.187 222 HD21 ASN 28 1HD2 ASN 28 27.488 -8.550 -15.102 223 HD22 ASN 28 2HD2 ASN 28 27.404 -9.987 -14.148 224 H LYS 29 H LYS 29 25.547 -6.650 -17.021 225 HA LYS 29 HA LYS 29 27.403 -4.500 -17.470 226 HB2 LYS 29 2HB LYS 29 25.558 -3.068 -16.623 227 HB3 LYS 29 3HB LYS 29 25.065 -4.124 -17.940 228 HG2 LYS 29 2HG LYS 29 24.564 -5.553 -15.584 229 HG3 LYS 29 3HG LYS 29 24.004 -3.906 -15.288 230 HD2 LYS 29 2HD LYS 29 22.681 -3.989 -17.349 231 HD3 LYS 29 3HD LYS 29 23.241 -5.638 -17.641 232 HE2 LYS 29 2HE LYS 29 22.272 -6.138 -15.303 233 HE3 LYS 29 3HE LYS 29 21.404 -4.616 -15.502 234 HZ1 LYS 29 3HZ LYS 29 21.206 -7.044 -17.191 235 HZ2 LYS 29 1HZ LYS 29 20.562 -5.548 -17.651 236 HZ3 LYS 29 2HZ LYS 29 19.987 -6.325 -16.263 237 H ASP 30 H ASP 30 27.137 -6.684 -15.043 238 HA ASP 30 HA ASP 30 28.586 -4.961 -13.203 239 HB2 ASP 30 2HB ASP 30 27.084 -5.998 -11.315 240 HB3 ASP 30 3HB ASP 30 26.545 -4.565 -12.187 241 H LYS 31 H LYS 31 29.818 -6.824 -14.594 242 HA LYS 31 HA LYS 31 29.807 -9.390 -13.282 243 HB2 LYS 31 2HB LYS 31 31.745 -9.860 -14.796 244 HB3 LYS 31 3HB LYS 31 30.277 -9.370 -15.631 245 HG2 LYS 31 2HG LYS 31 31.470 -7.838 -16.689 246 HG3 LYS 31 3HG LYS 31 31.679 -7.003 -15.148 247 HD2 LYS 31 2HD LYS 31 33.591 -8.827 -14.862 248 HD3 LYS 31 3HD LYS 31 33.549 -8.776 -16.626 249 HE2 LYS 31 2HE LYS 31 33.506 -6.126 -15.435 250 HE3 LYS 31 3HE LYS 31 34.928 -7.051 -14.958 251 HZ1 LYS 31 3HZ LYS 31 34.401 -7.325 -17.740 252 HZ2 LYS 31 1HZ LYS 31 35.806 -6.792 -16.963 253 HZ3 LYS 31 2HZ LYS 31 34.568 -5.696 -17.317 254 H TRP 32 H TRP 32 31.675 -6.442 -13.144 255 HA TRP 32 HA TRP 32 33.973 -7.344 -11.863 256 HD1 TRP 32 HD1 TRP 32 31.603 -4.251 -13.715 257 HE1 TRP 32 HE1 TRP 32 29.720 -2.769 -12.775 258 HE3 TRP 32 HE3 TRP 32 32.820 -4.442 -8.753 259 HZ2 TRP 32 HZ2 TRP 32 28.865 -1.807 -10.262 260 HZ3 TRP 32 HZ3 TRP 32 31.419 -3.213 -7.147 261 HH2 TRP 32 HH2 TRP 32 29.483 -1.923 -7.888 262 HB2 TRP 32 2HB TRP 32 34.084 -5.004 -10.914 263 HB3 TRP 32 3HB TRP 32 33.907 -5.097 -12.664 264 H LYS 33 H LYS 33 30.752 -6.953 -10.658 265 HA LYS 33 HA LYS 33 31.351 -6.808 -7.894 266 HB2 LYS 33 2HB LYS 33 28.844 -8.014 -9.050 267 HB3 LYS 33 3HB LYS 33 29.039 -7.171 -7.519 268 HG2 LYS 33 2HG LYS 33 29.713 -5.166 -9.075 269 HG3 LYS 33 3HG LYS 33 28.787 -6.075 -10.272 270 HD2 LYS 33 2HD LYS 33 27.785 -5.191 -7.565 271 HD3 LYS 33 3HD LYS 33 27.391 -4.430 -9.109 272 HE2 LYS 33 2HE LYS 33 26.785 -7.086 -9.532 273 HE3 LYS 33 3HE LYS 33 26.288 -6.821 -7.862 274 HZ1 LYS 33 3HZ LYS 33 25.019 -5.983 -10.245 275 HZ2 LYS 33 1HZ LYS 33 25.398 -4.632 -9.299 276 HZ3 LYS 33 2HZ LYS 33 24.461 -5.881 -8.651 277 H ASN 34 H ASN 34 31.407 -9.381 -10.158 278 HA ASN 34 HA ASN 34 31.140 -11.469 -8.166 279 HB2 ASN 34 2HB ASN 34 31.169 -11.307 -11.086 280 HB3 ASN 34 3HB ASN 34 32.087 -12.676 -10.466 281 HD21 ASN 34 1HD2 ASN 34 29.068 -11.042 -9.558 282 HD22 ASN 34 2HD2 ASN 34 28.109 -12.478 -9.506 283 H ILE 35 H ILE 35 33.501 -9.368 -8.745 284 HA ILE 35 HA ILE 35 35.728 -11.254 -8.692 285 HB ILE 35 HB ILE 35 35.877 -8.242 -8.636 286 HG12 ILE 35 2HG1 ILE 35 35.937 -10.106 -11.019 287 HG13 ILE 35 3HG1 ILE 35 34.648 -8.973 -10.630 288 HG21 ILE 35 1HG2 ILE 35 38.127 -8.442 -8.988 289 HG22 ILE 35 2HG2 ILE 35 37.839 -9.892 -8.027 290 HG23 ILE 35 3HG2 ILE 35 37.975 -10.010 -9.782 291 HD11 ILE 35 3HD1 ILE 35 36.224 -7.115 -10.920 292 HD12 ILE 35 1HD1 ILE 35 37.478 -8.271 -11.370 293 HD13 ILE 35 2HD1 ILE 35 36.044 -8.086 -12.381 Start of MODEL 20 1 HA LYS 1 HA LYS 1 -5.541 -5.116 -3.473 2 H1 LYS 1 H LYS 1 -4.747 -2.342 -2.884 3 HB2 LYS 1 2HB LYS 1 -4.546 -3.214 -5.308 4 HB3 LYS 1 3HB LYS 1 -3.234 -4.344 -5.005 5 HG2 LYS 1 2HG LYS 1 -4.178 -5.858 -6.312 6 HG3 LYS 1 3HG LYS 1 -5.673 -5.791 -5.377 7 HD2 LYS 1 2HD LYS 1 -6.263 -5.219 -7.594 8 HD3 LYS 1 3HD LYS 1 -6.243 -3.703 -6.690 9 HE2 LYS 1 2HE LYS 1 -3.635 -4.213 -7.746 10 HE3 LYS 1 3HE LYS 1 -4.824 -4.354 -9.041 11 HZ1 LYS 1 3HZ LYS 1 -5.557 -2.113 -7.640 12 HZ2 LYS 1 1HZ LYS 1 -4.776 -2.152 -9.141 13 HZ3 LYS 1 2HZ LYS 1 -3.869 -2.021 -7.719 14 H LYS 2 H LYS 2 -4.027 -6.724 -2.986 15 HA LYS 2 HA LYS 2 -2.504 -6.370 -0.689 16 HB2 LYS 2 2HB LYS 2 -1.632 -8.580 -1.079 17 HB3 LYS 2 3HB LYS 2 -3.323 -8.554 -1.562 18 HG2 LYS 2 2HG LYS 2 -2.240 -7.999 -3.921 19 HG3 LYS 2 3HG LYS 2 -0.881 -8.869 -3.205 20 HD2 LYS 2 2HD LYS 2 -2.689 -10.627 -2.566 21 HD3 LYS 2 3HD LYS 2 -3.641 -9.843 -3.828 22 HE2 LYS 2 2HE LYS 2 -1.092 -10.223 -4.922 23 HE3 LYS 2 3HE LYS 2 -1.469 -11.718 -4.067 24 HZ1 LYS 2 3HZ LYS 2 -2.759 -12.285 -5.756 25 HZ2 LYS 2 1HZ LYS 2 -2.461 -10.815 -6.538 26 HZ3 LYS 2 2HZ LYS 2 -3.755 -10.951 -5.458 27 H TRP 3 H TRP 3 -1.696 -5.810 -4.012 28 HA TRP 3 HA TRP 3 0.150 -4.966 -5.036 29 HD1 TRP 3 HD1 TRP 3 -1.212 -3.179 -5.304 30 HE1 TRP 3 HE1 TRP 3 -2.718 -1.184 -4.688 31 HE3 TRP 3 HE3 TRP 3 0.665 -2.149 -0.662 32 HZ2 TRP 3 HZ2 TRP 3 -3.064 0.591 -2.520 33 HZ3 TRP 3 HZ3 TRP 3 -0.309 -0.286 0.617 34 HH2 TRP 3 HH2 TRP 3 -2.134 1.055 -0.295 35 HB2 TRP 3 2HB TRP 3 0.887 -4.110 -2.227 36 HB3 TRP 3 3HB TRP 3 1.617 -3.500 -3.710 37 H GLY 4 H GLY 4 0.323 -7.614 -4.729 38 HA2 GLY 4 2HA GLY 4 2.876 -8.264 -3.469 39 HA3 GLY 4 3HA GLY 4 1.730 -9.410 -4.148 40 H TRP 5 H TRP 5 2.458 -6.689 -6.094 41 HA TRP 5 HA TRP 5 3.687 -8.380 -8.075 42 HD1 TRP 5 HD1 TRP 5 1.388 -8.658 -8.278 43 HE1 TRP 5 HE1 TRP 5 -1.076 -8.193 -8.859 44 HE3 TRP 5 HE3 TRP 5 1.764 -3.710 -9.507 45 HZ2 TRP 5 HZ2 TRP 5 -2.651 -6.017 -9.725 46 HZ3 TRP 5 HZ3 TRP 5 -0.269 -2.510 -10.202 47 HH2 TRP 5 HH2 TRP 5 -2.430 -3.642 -10.308 48 HB2 TRP 5 2HB TRP 5 3.275 -5.384 -8.137 49 HB3 TRP 5 3HB TRP 5 3.624 -6.428 -9.513 50 H LEU 6 H LEU 6 4.702 -5.349 -6.483 51 HA LEU 6 HA LEU 6 7.408 -5.609 -7.332 52 HG LEU 6 HG LEU 6 5.414 -4.512 -4.503 53 HB2 LEU 6 2HB LEU 6 7.827 -3.746 -5.758 54 HB3 LEU 6 3HB LEU 6 6.528 -3.430 -6.906 55 HD11 LEU 6 1HD1 LEU 6 6.980 -3.763 -3.048 56 HD12 LEU 6 2HD1 LEU 6 6.082 -2.259 -3.247 57 HD13 LEU 6 3HD1 LEU 6 7.574 -2.521 -4.150 58 HD21 LEU 6 3HD2 LEU 6 4.103 -3.208 -5.979 59 HD22 LEU 6 1HD2 LEU 6 5.259 -1.876 -5.946 60 HD23 LEU 6 2HD2 LEU 6 4.298 -2.246 -4.513 61 H ALA 7 H ALA 7 5.603 -6.707 -4.581 62 HA ALA 7 HA ALA 7 7.755 -7.143 -2.801 63 HB1 ALA 7 1HB ALA 7 5.309 -7.094 -2.213 64 HB2 ALA 7 2HB ALA 7 5.195 -8.722 -2.883 65 HB3 ALA 7 3HB ALA 7 6.236 -8.412 -1.494 66 H TRP 8 H TRP 8 6.508 -8.941 -5.504 67 HA TRP 8 HA TRP 8 8.038 -11.319 -4.814 68 HD1 TRP 8 HD1 TRP 8 5.507 -10.945 -3.794 69 HE1 TRP 8 HE1 TRP 8 3.924 -12.810 -2.992 70 HE3 TRP 8 HE3 TRP 8 5.750 -14.025 -7.867 71 HZ2 TRP 8 HZ2 TRP 8 2.914 -15.262 -3.957 72 HZ3 TRP 8 HZ3 TRP 8 4.446 -16.111 -7.848 73 HH2 TRP 8 HH2 TRP 8 3.058 -16.716 -5.933 74 HB2 TRP 8 2HB TRP 8 6.050 -10.643 -6.960 75 HB3 TRP 8 3HB TRP 8 7.088 -12.056 -7.127 76 H VAL 9 H VAL 9 8.239 -8.534 -6.873 77 HA VAL 9 HA VAL 9 10.276 -9.591 -8.599 78 HB VAL 9 HB VAL 9 9.419 -6.729 -8.142 79 HG11 VAL 9 1HG1 VAL 9 10.442 -6.602 -10.552 80 HG12 VAL 9 2HG1 VAL 9 11.479 -6.473 -9.130 81 HG13 VAL 9 3HG1 VAL 9 11.369 -8.000 -10.007 82 HG21 VAL 9 3HG2 VAL 9 8.015 -8.814 -9.326 83 HG22 VAL 9 1HG2 VAL 9 7.693 -7.089 -9.503 84 HG23 VAL 9 2HG2 VAL 9 8.708 -7.922 -10.681 85 H ASP 10 H ASP 10 10.186 -7.932 -5.553 86 HA ASP 10 HA ASP 10 12.715 -6.791 -5.452 87 HB2 ASP 10 2HB ASP 10 10.646 -7.505 -3.566 88 HB3 ASP 10 3HB ASP 10 12.238 -7.826 -2.885 89 HA PRO 11 HA PRO 11 14.460 -10.918 -3.662 90 HB2 PRO 11 2HB PRO 11 12.848 -13.101 -3.740 91 HB3 PRO 11 3HB PRO 11 12.880 -11.979 -2.375 92 HG2 PRO 11 2HG PRO 11 10.943 -12.139 -4.652 93 HG3 PRO 11 3HG PRO 11 10.623 -11.883 -2.927 94 HD2 PRO 11 2HD PRO 11 10.646 -9.855 -4.720 95 HD3 PRO 11 3HD PRO 11 11.152 -9.642 -3.032 96 H ALA 12 H ALA 12 12.250 -11.134 -6.394 97 HA ALA 12 HA ALA 12 13.538 -13.236 -7.764 98 HB1 ALA 12 1HB ALA 12 12.390 -12.112 -9.796 99 HB2 ALA 12 2HB ALA 12 11.392 -12.807 -8.519 100 HB3 ALA 12 3HB ALA 12 11.652 -11.064 -8.584 101 H TYR 13 H TYR 13 13.750 -9.706 -8.216 102 HA TYR 13 HA TYR 13 15.645 -9.682 -10.242 103 HD1 TYR 13 HD1 TYR 13 17.787 -7.806 -10.243 104 HD2 TYR 13 HD2 TYR 13 13.835 -6.264 -10.570 105 HE1 TYR 13 HE1 TYR 13 18.464 -6.507 -12.218 106 HE2 TYR 13 HE2 TYR 13 14.501 -4.961 -12.547 107 HH TYR 13 HH TYR 13 16.615 -4.015 -13.501 108 HB2 TYR 13 2HB TYR 13 14.296 -7.763 -8.891 109 HB3 TYR 13 3HB TYR 13 15.903 -7.552 -8.204 110 H GLU 14 H GLU 14 16.114 -9.737 -6.730 111 HA GLU 14 HA GLU 14 18.912 -9.500 -6.736 112 HB2 GLU 14 2HB GLU 14 16.972 -10.701 -4.771 113 HB3 GLU 14 3HB GLU 14 18.704 -10.688 -4.472 114 HG2 GLU 14 2HG GLU 14 17.200 -8.176 -5.105 115 HG3 GLU 14 3HG GLU 14 17.300 -8.814 -3.465 116 H PHE 15 H PHE 15 16.794 -12.244 -7.197 117 HA PHE 15 HA PHE 15 18.800 -14.245 -6.895 118 HD1 PHE 15 HD2 PHE 15 18.439 -16.873 -8.166 119 HD2 PHE 15 HD1 PHE 15 15.645 -15.450 -5.288 120 HE1 PHE 15 HE2 PHE 15 18.726 -18.944 -6.869 121 HE2 PHE 15 HE1 PHE 15 15.929 -17.519 -3.985 122 HZ PHE 15 HZ PHE 15 17.470 -19.269 -4.776 123 HB2 PHE 15 2HB PHE 15 16.022 -14.211 -7.181 124 HB3 PHE 15 3HB PHE 15 16.607 -15.033 -8.624 125 H ILE 16 H ILE 16 17.224 -12.804 -9.743 126 HA ILE 16 HA ILE 16 18.766 -14.193 -11.654 127 HB ILE 16 HB ILE 16 17.481 -11.490 -12.032 128 HG12 ILE 16 2HG1 ILE 16 15.835 -13.020 -11.095 129 HG13 ILE 16 3HG1 ILE 16 15.490 -12.747 -12.800 130 HG21 ILE 16 1HG2 ILE 16 18.628 -11.797 -13.972 131 HG22 ILE 16 2HG2 ILE 16 18.618 -13.554 -13.829 132 HG23 ILE 16 3HG2 ILE 16 17.171 -12.706 -14.373 133 HD11 ILE 16 3HD1 ILE 16 16.651 -15.183 -11.498 134 HD12 ILE 16 1HD1 ILE 16 15.177 -15.038 -12.455 135 HD13 ILE 16 2HD1 ILE 16 16.753 -14.905 -13.236 136 H LYS 17 H LYS 17 19.384 -11.372 -9.745 137 HA LYS 17 HA LYS 17 21.300 -10.054 -11.263 138 HB2 LYS 17 2HB LYS 17 20.834 -10.329 -8.316 139 HB3 LYS 17 3HB LYS 17 22.271 -9.496 -8.894 140 HG2 LYS 17 2HG LYS 17 19.790 -8.626 -10.176 141 HG3 LYS 17 3HG LYS 17 19.858 -8.329 -8.437 142 HD2 LYS 17 2HD LYS 17 21.878 -7.072 -8.659 143 HD3 LYS 17 3HD LYS 17 22.047 -7.540 -10.353 144 HE2 LYS 17 2HE LYS 17 19.975 -6.320 -10.873 145 HE3 LYS 17 3HE LYS 17 19.855 -5.826 -9.185 146 HZ1 LYS 17 3HZ LYS 17 20.869 -4.165 -10.751 147 HZ2 LYS 17 1HZ LYS 17 22.207 -5.193 -10.872 148 HZ3 LYS 17 2HZ LYS 17 21.789 -4.521 -9.377 149 H GLY 18 H GLY 18 21.495 -13.070 -9.573 150 HA2 GLY 18 2HA GLY 18 24.365 -13.218 -10.268 151 HA3 GLY 18 3HA GLY 18 23.716 -13.918 -8.792 152 H PHE 19 H PHE 19 21.283 -14.872 -10.132 153 HA PHE 19 HA PHE 19 22.338 -17.385 -11.044 154 HD1 PHE 19 HD2 PHE 19 18.579 -16.935 -12.836 155 HD2 PHE 19 HD1 PHE 19 20.562 -19.808 -10.402 156 HE1 PHE 19 HE2 PHE 19 17.592 -18.746 -14.177 157 HE2 PHE 19 HE1 PHE 19 19.580 -21.624 -11.739 158 HZ PHE 19 HZ PHE 19 18.092 -21.095 -13.629 159 HB2 PHE 19 2HB PHE 19 20.376 -17.510 -9.705 160 HB3 PHE 19 3HB PHE 19 19.538 -16.320 -10.697 161 H GLY 20 H GLY 20 21.106 -14.492 -12.504 162 HA2 GLY 20 2HA GLY 20 21.844 -15.485 -15.124 163 HA3 GLY 20 3HA GLY 20 20.129 -15.159 -14.922 164 H LYS 21 H LYS 21 23.142 -13.503 -13.969 165 HA LYS 21 HA LYS 21 22.136 -10.914 -14.156 166 HB2 LYS 21 2HB LYS 21 24.297 -10.188 -13.808 167 HB3 LYS 21 3HB LYS 21 24.402 -11.840 -13.213 168 HG2 LYS 21 2HG LYS 21 25.324 -10.808 -15.885 169 HG3 LYS 21 3HG LYS 21 26.328 -11.381 -14.551 170 HD2 LYS 21 2HD LYS 21 24.821 -13.556 -14.894 171 HD3 LYS 21 3HD LYS 21 24.740 -12.910 -16.535 172 HE2 LYS 21 2HE LYS 21 26.632 -14.149 -16.749 173 HE3 LYS 21 3HE LYS 21 27.359 -12.662 -16.140 174 HZ1 LYS 21 3HZ LYS 21 27.101 -15.249 -14.866 175 HZ2 LYS 21 1HZ LYS 21 26.764 -13.928 -13.864 176 HZ3 LYS 21 2HZ LYS 21 28.262 -14.040 -14.640 177 H GLY 22 H GLY 22 23.427 -9.309 -15.770 178 HA2 GLY 22 2HA GLY 22 23.786 -10.200 -18.440 179 HA3 GLY 22 3HA GLY 22 22.173 -9.530 -18.241 180 H ALA 23 H ALA 23 24.928 -8.351 -16.442 181 HA ALA 23 HA ALA 23 24.496 -5.690 -17.433 182 HB1 ALA 23 1HB ALA 23 25.958 -4.972 -15.779 183 HB2 ALA 23 2HB ALA 23 25.232 -6.414 -15.068 184 HB3 ALA 23 3HB ALA 23 26.850 -6.494 -15.766 185 H ILE 24 H ILE 24 24.981 -6.794 -19.694 186 HA ILE 24 HA ILE 24 27.743 -7.088 -20.378 187 HB ILE 24 HB ILE 24 25.389 -6.685 -22.227 188 HG12 ILE 24 2HG1 ILE 24 25.044 -8.622 -20.769 189 HG13 ILE 24 3HG1 ILE 24 25.368 -9.139 -22.420 190 HG21 ILE 24 1HG2 ILE 24 27.333 -8.291 -23.423 191 HG22 ILE 24 2HG2 ILE 24 26.932 -6.621 -23.823 192 HG23 ILE 24 3HG2 ILE 24 28.220 -6.966 -22.669 193 HD11 ILE 24 3HD1 ILE 24 27.329 -9.137 -20.138 194 HD12 ILE 24 1HD1 ILE 24 26.533 -10.546 -20.840 195 HD13 ILE 24 2HD1 ILE 24 27.688 -9.617 -21.797 196 H LYS 25 H LYS 25 25.520 -4.448 -20.222 197 HA LYS 25 HA LYS 25 26.859 -2.695 -22.017 198 HB2 LYS 25 2HB LYS 25 25.533 -0.917 -20.841 199 HB3 LYS 25 3HB LYS 25 24.573 -2.239 -21.490 200 HG2 LYS 25 2HG LYS 25 25.387 -2.730 -18.753 201 HG3 LYS 25 3HG LYS 25 24.469 -1.232 -18.922 202 HD2 LYS 25 2HD LYS 25 23.534 -3.798 -20.171 203 HD3 LYS 25 3HD LYS 25 23.165 -3.400 -18.491 204 HE2 LYS 25 2HE LYS 25 22.487 -1.091 -19.765 205 HE3 LYS 25 3HE LYS 25 22.074 -2.298 -20.982 206 HZ1 LYS 25 3HZ LYS 25 20.177 -2.485 -19.850 207 HZ2 LYS 25 1HZ LYS 25 20.791 -1.710 -18.477 208 HZ3 LYS 25 2HZ LYS 25 21.069 -3.362 -18.711 209 H GLU 26 H GLU 26 27.207 -3.447 -18.616 210 HA GLU 26 HA GLU 26 28.864 -1.229 -17.961 211 HB2 GLU 26 2HB GLU 26 28.727 -3.907 -16.570 212 HB3 GLU 26 3HB GLU 26 29.313 -2.395 -15.891 213 HG2 GLU 26 2HG GLU 26 26.482 -3.001 -16.713 214 HG3 GLU 26 3HG GLU 26 27.099 -2.907 -15.064 215 H GLY 27 H GLY 27 29.436 -4.380 -19.333 216 HA2 GLY 27 2HA GLY 27 31.425 -4.658 -20.701 217 HA3 GLY 27 3HA GLY 27 32.302 -3.702 -19.515 218 H ASN 28 H ASN 28 30.273 -6.639 -19.528 219 HA ASN 28 HA ASN 28 31.771 -7.804 -17.378 220 HB2 ASN 28 2HB ASN 28 29.565 -8.812 -19.167 221 HB3 ASN 28 3HB ASN 28 30.358 -9.858 -17.993 222 HD21 ASN 28 1HD2 ASN 28 28.054 -9.938 -17.266 223 HD22 ASN 28 2HD2 ASN 28 27.554 -8.763 -16.102 224 H LYS 29 H LYS 29 33.877 -7.594 -18.491 225 HA LYS 29 HA LYS 29 34.437 -9.287 -20.738 226 HB2 LYS 29 2HB LYS 29 36.282 -7.821 -18.844 227 HB3 LYS 29 3HB LYS 29 36.803 -8.655 -20.301 228 HG2 LYS 29 2HG LYS 29 36.263 -6.929 -21.588 229 HG3 LYS 29 3HG LYS 29 34.667 -6.781 -20.847 230 HD2 LYS 29 2HD LYS 29 36.075 -5.771 -18.853 231 HD3 LYS 29 3HD LYS 29 37.228 -5.432 -20.146 232 HE2 LYS 29 2HE LYS 29 35.280 -4.379 -21.395 233 HE3 LYS 29 3HE LYS 29 34.391 -4.471 -19.875 234 HZ1 LYS 29 3HZ LYS 29 36.382 -2.603 -20.688 235 HZ2 LYS 29 1HZ LYS 29 36.795 -3.333 -19.219 236 HZ3 LYS 29 2HZ LYS 29 35.315 -2.531 -19.377 237 H ASP 30 H ASP 30 35.971 -9.295 -17.523 238 HA ASP 30 HA ASP 30 36.446 -12.151 -17.769 239 HB2 ASP 30 2HB ASP 30 37.185 -10.484 -15.379 240 HB3 ASP 30 3HB ASP 30 37.974 -11.930 -16.003 241 H LYS 31 H LYS 31 33.793 -11.809 -17.655 242 HA LYS 31 HA LYS 31 32.863 -12.015 -14.916 243 HB2 LYS 31 2HB LYS 31 30.644 -12.101 -15.855 244 HB3 LYS 31 3HB LYS 31 31.547 -10.822 -16.657 245 HG2 LYS 31 2HG LYS 31 30.605 -11.783 -18.478 246 HG3 LYS 31 3HG LYS 31 32.059 -12.779 -18.372 247 HD2 LYS 31 2HD LYS 31 30.299 -14.076 -16.702 248 HD3 LYS 31 3HD LYS 31 29.257 -13.506 -18.008 249 HE2 LYS 31 2HE LYS 31 31.840 -14.797 -18.722 250 HE3 LYS 31 3HE LYS 31 30.528 -15.823 -18.144 251 HZ1 LYS 31 3HZ LYS 31 29.634 -15.731 -20.151 252 HZ2 LYS 31 1HZ LYS 31 30.877 -14.721 -20.697 253 HZ3 LYS 31 2HZ LYS 31 29.474 -14.052 -20.030 254 H TRP 32 H TRP 32 33.826 -14.105 -17.471 255 HA TRP 32 HA TRP 32 32.368 -16.417 -16.744 256 HD1 TRP 32 HD1 TRP 32 34.824 -14.249 -19.639 257 HE1 TRP 32 HE1 TRP 32 37.362 -13.820 -19.659 258 HE3 TRP 32 HE3 TRP 32 36.332 -18.161 -16.713 259 HZ2 TRP 32 HZ2 TRP 32 39.694 -14.986 -18.577 260 HZ3 TRP 32 HZ3 TRP 32 38.734 -18.434 -16.254 261 HH2 TRP 32 HH2 TRP 32 40.379 -16.879 -17.168 262 HB2 TRP 32 2HB TRP 32 34.152 -17.628 -18.045 263 HB3 TRP 32 3HB TRP 32 33.355 -16.324 -18.922 264 H LYS 33 H LYS 33 35.202 -14.913 -15.456 265 HA LYS 33 HA LYS 33 36.365 -17.140 -14.175 266 HB2 LYS 33 2HB LYS 33 36.472 -14.308 -13.146 267 HB3 LYS 33 3HB LYS 33 37.676 -15.576 -12.956 268 HG2 LYS 33 2HG LYS 33 37.368 -15.252 -15.713 269 HG3 LYS 33 3HG LYS 33 37.395 -13.621 -15.039 270 HD2 LYS 33 2HD LYS 33 39.441 -15.762 -14.462 271 HD3 LYS 33 3HD LYS 33 39.645 -14.462 -15.638 272 HE2 LYS 33 2HE LYS 33 38.825 -13.386 -13.105 273 HE3 LYS 33 3HE LYS 33 40.241 -14.415 -12.893 274 HZ1 LYS 33 3HZ LYS 33 41.358 -12.593 -13.502 275 HZ2 LYS 33 1HZ LYS 33 40.006 -11.854 -14.201 276 HZ3 LYS 33 2HZ LYS 33 40.894 -12.994 -15.079 277 H ASN 34 H ASN 34 33.554 -15.299 -13.485 278 HA ASN 34 HA ASN 34 33.463 -16.033 -10.683 279 HB2 ASN 34 2HB ASN 34 32.075 -14.163 -12.421 280 HB3 ASN 34 3HB ASN 34 30.951 -15.060 -11.405 281 HD21 ASN 34 1HD2 ASN 34 34.044 -13.341 -11.197 282 HD22 ASN 34 2HD2 ASN 34 33.730 -12.611 -9.662 283 H ILE 35 H ILE 35 33.072 -17.775 -13.352 284 HA ILE 35 HA ILE 35 30.624 -19.157 -12.566 285 HB ILE 35 HB ILE 35 32.429 -19.809 -14.894 286 HG12 ILE 35 2HG1 ILE 35 29.997 -18.009 -14.817 287 HG13 ILE 35 3HG1 ILE 35 31.658 -17.485 -15.067 288 HG21 ILE 35 1HG2 ILE 35 30.623 -21.066 -15.746 289 HG22 ILE 35 2HG2 ILE 35 30.755 -21.508 -14.044 290 HG23 ILE 35 3HG2 ILE 35 29.497 -20.389 -14.569 291 HD11 ILE 35 3HD1 ILE 35 31.748 -18.707 -17.158 292 HD12 ILE 35 1HD1 ILE 35 30.106 -19.297 -16.900 293 HD13 ILE 35 2HD1 ILE 35 30.396 -17.575 -17.152
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