NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
3888 | 1ed0 | 4587 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H LYS 1 1H LYS 1 0.856 -0.419 0.123 2 2H LYS 1 2H LYS 1 1.472 0.766 1.092 3 3H LYS 1 3H LYS 1 0.486 1.156 -0.165 4 HA LYS 1 HA LYS 1 3.109 -0.121 -0.384 5 1HB LYS 1 1HB LYS 1 3.012 0.232 -2.737 6 2HB LYS 1 2HB LYS 1 1.561 -0.634 -2.241 7 1HG LYS 1 1HG LYS 1 0.207 1.399 -2.447 8 2HG LYS 1 2HG LYS 1 1.647 2.376 -2.719 9 1HD LYS 1 1HD LYS 1 2.121 0.975 -4.803 10 2HD LYS 1 2HD LYS 1 0.537 0.231 -4.549 11 1HE LYS 1 1HE LYS 1 0.131 1.946 -6.123 12 2HE LYS 1 2HE LYS 1 -0.420 2.633 -4.589 13 1HZ LYS 1 1HZ LYS 1 2.105 3.195 -6.011 14 2HZ LYS 1 2HZ LYS 1 0.861 4.224 -5.738 15 3HZ LYS 1 3HZ LYS 1 1.808 3.713 -4.485 16 H SER 2 H SER 2 4.431 1.500 -2.027 17 HA SER 2 HA SER 2 4.877 3.931 -0.497 18 1HB SER 2 1HB SER 2 6.731 4.227 -2.204 19 2HB SER 2 2HB SER 2 6.818 2.742 -1.238 20 HG SER 2 HG SER 2 7.085 2.025 -3.232 21 H CYS 3 H CYS 3 4.699 6.006 -1.295 22 HA CYS 3 HA CYS 3 2.559 6.420 -3.330 23 1HB CYS 3 1HB CYS 3 2.801 7.261 -0.403 24 2HB CYS 3 2HB CYS 3 1.650 7.960 -1.511 25 H CYS 4 H CYS 4 3.587 7.595 -4.836 26 HA CYS 4 HA CYS 4 5.395 9.807 -3.996 27 1HB CYS 4 1HB CYS 4 5.396 8.065 -6.470 28 2HB CYS 4 2HB CYS 4 6.449 9.433 -6.230 29 HA PRO 5 HA PRO 5 2.535 12.576 -5.888 30 1HB PRO 5 1HB PRO 5 4.133 14.670 -6.604 31 2HB PRO 5 2HB PRO 5 3.734 14.267 -4.918 32 1HG PRO 5 1HG PRO 5 6.220 13.480 -6.461 33 2HG PRO 5 2HG PRO 5 6.127 14.213 -4.832 34 1HD PRO 5 1HD PRO 5 6.418 11.551 -5.141 35 2HD PRO 5 2HD PRO 5 5.325 12.189 -3.876 36 H ASN 6 H ASN 6 5.440 11.763 -7.823 37 HA ASN 6 HA ASN 6 3.839 11.958 -10.322 38 1HB ASN 6 1HB ASN 6 6.419 13.487 -9.770 39 2HB ASN 6 2HB ASN 6 5.699 13.281 -11.369 40 1HD2 ASN 6 1HD2 ASN 6 4.233 16.125 -8.868 41 2HD2 ASN 6 2HD2 ASN 6 5.599 15.110 -8.446 42 H THR 7 H THR 7 5.068 11.238 -12.182 43 HA THR 7 HA THR 7 6.157 8.630 -11.805 44 HB THR 7 HB THR 7 6.361 10.458 -14.239 45 HG1 THR 7 HG1 THR 7 4.451 9.349 -14.842 46 1HG2 THR 7 1HG2 THR 7 7.814 8.451 -14.390 47 2HG2 THR 7 2HG2 THR 7 6.438 7.415 -13.956 48 3HG2 THR 7 3HG2 THR 7 6.433 8.312 -15.489 49 H THR 8 H THR 8 7.647 11.854 -12.465 50 HA THR 8 HA THR 8 10.308 10.976 -12.658 51 HB THR 8 HB THR 8 9.515 13.664 -11.535 52 HG1 THR 8 HG1 THR 8 9.184 14.254 -13.724 53 1HG2 THR 8 1HG2 THR 8 11.943 13.111 -11.824 54 2HG2 THR 8 2HG2 THR 8 11.637 12.718 -13.530 55 3HG2 THR 8 3HG2 THR 8 11.423 14.382 -12.951 56 H GLY 9 H GLY 9 8.307 11.709 -9.837 57 1HA GLY 9 1HA GLY 9 10.431 11.656 -7.875 58 2HA GLY 9 2HA GLY 9 8.692 11.545 -7.583 59 H ARG 10 H ARG 10 7.974 9.283 -9.052 60 HA ARG 10 HA ARG 10 8.769 7.023 -7.529 61 1HB ARG 10 1HB ARG 10 6.672 7.239 -8.744 62 2HB ARG 10 2HB ARG 10 7.515 7.373 -10.282 63 1HG ARG 10 1HG ARG 10 6.531 5.149 -9.920 64 2HG ARG 10 2HG ARG 10 8.274 5.123 -10.204 65 1HD ARG 10 1HD ARG 10 7.671 3.594 -8.454 66 2HD ARG 10 2HD ARG 10 8.677 4.864 -7.762 67 HE ARG 10 HE ARG 10 6.024 5.668 -7.352 68 1HH1 ARG 10 1HH1 ARG 10 4.894 5.173 -5.380 69 2HH1 ARG 10 2HH1 ARG 10 5.435 3.835 -4.388 70 1HH2 ARG 10 1HH2 ARG 10 8.076 2.884 -6.491 71 2HH2 ARG 10 2HH2 ARG 10 7.177 2.539 -5.031 72 H ASN 11 H ASN 11 10.073 8.446 -10.539 73 HA ASN 11 HA ASN 11 11.842 6.246 -11.097 74 1HB ASN 11 1HB ASN 11 12.117 9.166 -11.915 75 2HB ASN 11 2HB ASN 11 12.992 7.799 -12.594 76 1HD2 ASN 11 1HD2 ASN 11 10.003 8.844 -14.709 77 2HD2 ASN 11 2HD2 ASN 11 11.334 9.714 -13.988 78 H ILE 12 H ILE 12 12.341 9.422 -9.371 79 HA ILE 12 HA ILE 12 15.108 8.846 -8.984 80 HB ILE 12 HB ILE 12 13.708 11.106 -8.834 81 1HG1 ILE 12 1HG1 ILE 12 16.071 11.075 -9.053 82 2HG1 ILE 12 2HG1 ILE 12 15.666 12.131 -7.700 83 1HG2 ILE 12 1HG2 ILE 12 14.017 10.426 -5.883 84 2HG2 ILE 12 2HG2 ILE 12 13.565 11.985 -6.587 85 3HG2 ILE 12 3HG2 ILE 12 12.498 10.596 -6.785 86 1HD1 ILE 12 1HD1 ILE 12 16.226 10.147 -6.144 87 2HD1 ILE 12 2HD1 ILE 12 16.868 9.330 -7.585 88 3HD1 ILE 12 3HD1 ILE 12 17.582 10.844 -7.044 89 H TYR 13 H TYR 13 12.216 8.485 -6.893 90 HA TYR 13 HA TYR 13 13.322 7.451 -4.589 91 1HB TYR 13 1HB TYR 13 10.957 8.036 -4.915 92 2HB TYR 13 2HB TYR 13 10.771 6.772 -6.117 93 HD1 TYR 13 HD1 TYR 13 9.717 4.806 -5.435 94 HD2 TYR 13 HD2 TYR 13 11.779 7.227 -2.539 95 HE1 TYR 13 HE1 TYR 13 8.849 3.376 -3.622 96 HE2 TYR 13 HE2 TYR 13 10.922 5.792 -0.719 97 HH TYR 13 HH TYR 13 9.878 3.803 -0.213 98 H ASN 14 H ASN 14 12.415 5.801 -7.626 99 HA ASN 14 HA ASN 14 13.187 3.254 -6.727 100 1HB ASN 14 1HB ASN 14 12.644 4.489 -9.461 101 2HB ASN 14 2HB ASN 14 13.165 2.831 -9.342 102 1HD2 ASN 14 1HD2 ASN 14 9.365 3.157 -9.391 103 2HD2 ASN 14 2HD2 ASN 14 10.582 4.059 -10.263 104 H ALA 15 H ALA 15 14.991 5.788 -8.367 105 HA ALA 15 HA ALA 15 17.227 4.091 -9.095 106 1HB ALA 15 1HB ALA 15 16.739 6.201 -10.279 107 2HB ALA 15 2HB ALA 15 17.063 7.122 -8.794 108 3HB ALA 15 3HB ALA 15 18.372 6.217 -9.582 109 H CYS 16 H CYS 16 16.429 6.193 -6.333 110 HA CYS 16 HA CYS 16 18.870 5.969 -4.892 111 1HB CYS 16 1HB CYS 16 17.021 7.572 -4.409 112 2HB CYS 16 2HB CYS 16 15.999 6.248 -3.948 113 H ARG 17 H ARG 17 15.775 4.071 -4.644 114 HA ARG 17 HA ARG 17 16.660 2.129 -2.881 115 1HB ARG 17 1HB ARG 17 14.679 1.985 -5.181 116 2HB ARG 17 2HB ARG 17 14.798 0.754 -3.925 117 1HG ARG 17 1HG ARG 17 14.463 3.618 -2.993 118 2HG ARG 17 2HG ARG 17 13.089 2.847 -3.797 119 1HD ARG 17 1HD ARG 17 13.046 2.595 -1.354 120 2HD ARG 17 2HD ARG 17 13.076 1.050 -2.241 121 HE ARG 17 HE ARG 17 15.625 2.178 -1.216 122 1HH1 ARG 17 1HH1 ARG 17 16.782 0.893 0.246 123 2HH1 ARG 17 2HH1 ARG 17 15.969 -0.430 1.058 124 1HH2 ARG 17 1HH2 ARG 17 12.923 -0.076 -0.608 125 2HH2 ARG 17 2HH2 ARG 17 13.837 -1.023 0.534 126 H LEU 18 H LEU 18 16.868 2.004 -6.501 127 HA LEU 18 HA LEU 18 17.846 -0.631 -6.529 128 1HB LEU 18 1HB LEU 18 17.913 -0.479 -8.776 129 2HB LEU 18 2HB LEU 18 16.732 0.728 -8.358 130 HG LEU 18 HG LEU 18 18.717 2.414 -8.673 131 1HD1 LEU 18 1HD1 LEU 18 20.350 1.663 -10.405 132 2HD1 LEU 18 2HD1 LEU 18 20.622 0.825 -8.885 133 3HD1 LEU 18 3HD1 LEU 18 19.783 -0.004 -10.207 134 1HD2 LEU 18 1HD2 LEU 18 17.594 0.860 -11.044 135 2HD2 LEU 18 2HD2 LEU 18 16.723 2.135 -10.177 136 3HD2 LEU 18 3HD2 LEU 18 18.200 2.529 -11.074 137 H THR 19 H THR 19 19.541 2.463 -6.295 138 HA THR 19 HA THR 19 22.190 1.191 -6.292 139 HB THR 19 HB THR 19 23.009 3.446 -5.730 140 HG1 THR 19 HG1 THR 19 20.275 4.183 -5.894 141 1HG2 THR 19 1HG2 THR 19 22.734 2.791 -8.081 142 2HG2 THR 19 2HG2 THR 19 21.068 3.402 -8.079 143 3HG2 THR 19 3HG2 THR 19 22.423 4.520 -7.842 144 H GLY 20 H GLY 20 20.089 0.294 -4.289 145 1HA GLY 20 1HA GLY 20 20.224 -0.699 -2.291 146 2HA GLY 20 2HA GLY 20 21.970 -0.435 -2.360 147 H ALA 21 H ALA 21 19.788 2.353 -2.358 148 HA ALA 21 HA ALA 21 20.847 3.115 0.300 149 1HB ALA 21 1HB ALA 21 21.064 4.735 -1.473 150 2HB ALA 21 2HB ALA 21 19.323 4.669 -1.783 151 3HB ALA 21 3HB ALA 21 19.920 5.344 -0.257 152 HA PRO 22 HA PRO 22 17.302 1.742 2.340 153 1HB PRO 22 1HB PRO 22 17.141 3.300 4.598 154 2HB PRO 22 2HB PRO 22 18.438 2.115 4.280 155 1HG PRO 22 1HG PRO 22 18.491 5.089 3.737 156 2HG PRO 22 2HG PRO 22 19.711 4.123 4.616 157 1HD PRO 22 1HD PRO 22 20.042 4.731 2.004 158 2HD PRO 22 2HD PRO 22 20.454 3.094 2.600 159 H ARG 23 H ARG 23 15.093 1.973 2.741 160 HA ARG 23 HA ARG 23 13.726 3.388 0.885 161 1HB ARG 23 1HB ARG 23 13.160 1.298 2.106 162 2HB ARG 23 2HB ARG 23 12.626 2.263 3.479 163 1HG ARG 23 1HG ARG 23 10.879 3.308 2.082 164 2HG ARG 23 2HG ARG 23 11.495 2.448 0.645 165 1HD ARG 23 1HD ARG 23 11.089 0.284 1.727 166 2HD ARG 23 2HD ARG 23 10.570 1.112 3.203 167 HE ARG 23 HE ARG 23 9.013 1.944 0.907 168 1HH1 ARG 23 1HH1 ARG 23 6.888 1.133 0.569 169 2HH1 ARG 23 2HH1 ARG 23 6.341 -0.279 1.434 170 1HH2 ARG 23 1HH2 ARG 23 9.375 -0.766 3.173 171 2HH2 ARG 23 2HH2 ARG 23 7.759 -1.366 2.914 172 HA PRO 24 HA PRO 24 12.003 6.567 4.039 173 1HB PRO 24 1HB PRO 24 13.505 7.289 6.239 174 2HB PRO 24 2HB PRO 24 12.245 6.024 6.241 175 1HG PRO 24 1HG PRO 24 15.231 5.642 5.893 176 2HG PRO 24 2HG PRO 24 14.135 4.775 7.010 177 1HD PRO 24 1HD PRO 24 14.800 3.673 4.682 178 2HD PRO 24 2HD PRO 24 13.099 3.607 5.218 179 H THR 25 H THR 25 15.619 6.473 3.867 180 HA THR 25 HA THR 25 15.990 9.254 3.526 181 HB THR 25 HB THR 25 17.668 6.955 2.431 182 HG1 THR 25 HG1 THR 25 17.723 8.317 4.921 183 1HG2 THR 25 1HG2 THR 25 18.397 9.836 3.125 184 2HG2 THR 25 2HG2 THR 25 19.546 8.556 2.684 185 3HG2 THR 25 3HG2 THR 25 18.364 9.128 1.495 186 H CYS 26 H CYS 26 15.444 6.639 1.148 187 HA CYS 26 HA CYS 26 15.620 8.304 -1.179 188 1HB CYS 26 1HB CYS 26 14.164 5.659 -0.778 189 2HB CYS 26 2HB CYS 26 14.528 6.417 -2.303 190 H ALA 27 H ALA 27 12.953 7.330 0.974 191 HA ALA 27 HA ALA 27 10.811 8.322 -0.569 192 1HB ALA 27 1HB ALA 27 10.983 8.193 2.462 193 2HB ALA 27 2HB ALA 27 9.519 8.278 1.471 194 3HB ALA 27 3HB ALA 27 10.545 6.837 1.403 195 H LYS 28 H LYS 28 13.062 10.001 1.661 196 HA LYS 28 HA LYS 28 11.533 12.536 1.320 197 1HB LYS 28 1HB LYS 28 13.953 11.949 3.005 198 2HB LYS 28 2HB LYS 28 12.982 13.431 3.015 199 1HG LYS 28 1HG LYS 28 12.001 10.642 3.792 200 2HG LYS 28 2HG LYS 28 12.462 11.951 4.873 201 1HD LYS 28 1HD LYS 28 10.199 12.044 4.955 202 2HD LYS 28 2HD LYS 28 10.545 13.322 3.785 203 1HE LYS 28 1HE LYS 28 9.652 11.999 1.979 204 2HE LYS 28 2HE LYS 28 9.886 10.483 2.865 205 1HZ LYS 28 1HZ LYS 28 8.102 11.139 4.286 206 2HZ LYS 28 2HZ LYS 28 7.932 12.574 3.483 207 3HZ LYS 28 3HZ LYS 28 7.643 11.150 2.698 208 H LEU 29 H LEU 29 14.503 11.079 0.091 209 HA LEU 29 HA LEU 29 15.508 13.430 -1.162 210 1HB LEU 29 1HB LEU 29 16.759 11.317 -1.019 211 2HB LEU 29 2HB LEU 29 15.553 10.516 -2.033 212 HG LEU 29 HG LEU 29 16.159 11.962 -3.947 213 1HD1 LEU 29 1HD1 LEU 29 18.273 13.083 -2.047 214 2HD1 LEU 29 2HD1 LEU 29 18.252 13.328 -3.806 215 3HD1 LEU 29 3HD1 LEU 29 16.952 13.994 -2.814 216 1HD2 LEU 29 1HD2 LEU 29 18.530 10.571 -2.635 217 2HD2 LEU 29 2HD2 LEU 29 17.261 9.790 -3.601 218 3HD2 LEU 29 3HD2 LEU 29 18.361 10.953 -4.363 219 H SER 30 H SER 30 12.999 11.038 -2.076 220 HA SER 30 HA SER 30 12.358 12.349 -4.591 221 1HB SER 30 1HB SER 30 10.713 10.550 -4.747 222 2HB SER 30 2HB SER 30 12.305 9.902 -4.298 223 HG SER 30 HG SER 30 11.597 9.840 -2.134 224 H GLY 31 H GLY 31 11.026 12.264 -1.256 225 1HA GLY 31 1HA GLY 31 9.378 13.600 -0.346 226 2HA GLY 31 2HA GLY 31 8.966 14.271 -1.927 227 H CYS 32 H CYS 32 9.312 10.765 -1.753 228 HA CYS 32 HA CYS 32 6.441 10.285 -2.005 229 1HB CYS 32 1HB CYS 32 8.667 8.311 -1.578 230 2HB CYS 32 2HB CYS 32 7.023 7.967 -2.081 231 H LYS 33 H LYS 33 5.525 8.569 -0.472 232 HA LYS 33 HA LYS 33 6.566 8.469 2.240 233 1HB LYS 33 1HB LYS 33 4.506 9.242 3.316 234 2HB LYS 33 2HB LYS 33 5.309 10.503 2.386 235 1HG LYS 33 1HG LYS 33 3.660 9.901 0.462 236 2HG LYS 33 2HG LYS 33 2.806 8.926 1.667 237 1HD LYS 33 1HD LYS 33 1.683 11.004 1.675 238 2HD LYS 33 2HD LYS 33 2.716 11.056 3.113 239 1HE LYS 33 1HE LYS 33 4.424 12.359 1.722 240 2HE LYS 33 2HE LYS 33 3.270 12.335 0.388 241 1HZ LYS 33 1HZ LYS 33 3.158 14.357 1.633 242 2HZ LYS 33 2HZ LYS 33 1.746 13.539 1.817 243 3HZ LYS 33 3HZ LYS 33 2.851 13.551 3.038 244 H ILE 34 H ILE 34 4.938 6.974 3.555 245 HA ILE 34 HA ILE 34 4.358 4.675 1.726 246 HB ILE 34 HB ILE 34 5.851 4.693 4.359 247 1HG1 ILE 34 1HG1 ILE 34 7.139 5.918 2.583 248 2HG1 ILE 34 2HG1 ILE 34 7.885 4.488 3.244 249 1HG2 ILE 34 1HG2 ILE 34 5.353 2.507 2.300 250 2HG2 ILE 34 2HG2 ILE 34 6.543 2.389 3.619 251 3HG2 ILE 34 3HG2 ILE 34 4.821 2.553 3.988 252 1HD1 ILE 34 1HD1 ILE 34 8.288 4.601 0.895 253 2HD1 ILE 34 2HD1 ILE 34 7.222 3.215 1.180 254 3HD1 ILE 34 3HD1 ILE 34 6.575 4.737 0.529 255 H ILE 35 H ILE 35 2.456 3.676 2.068 256 HA ILE 35 HA ILE 35 1.212 3.778 4.779 257 HB ILE 35 HB ILE 35 -0.930 3.799 3.785 258 1HG1 ILE 35 1HG1 ILE 35 0.463 3.975 1.090 259 2HG1 ILE 35 2HG1 ILE 35 -0.416 2.582 1.699 260 1HG2 ILE 35 1HG2 ILE 35 -1.022 6.104 3.096 261 2HG2 ILE 35 2HG2 ILE 35 0.280 5.957 4.276 262 3HG2 ILE 35 3HG2 ILE 35 0.666 6.077 2.546 263 1HD1 ILE 35 1HD1 ILE 35 -1.621 5.286 1.069 264 2HD1 ILE 35 2HD1 ILE 35 -1.835 3.742 0.219 265 3HD1 ILE 35 3HD1 ILE 35 -2.483 3.942 1.865 266 H SER 36 H SER 36 -0.315 1.939 5.092 267 HA SER 36 HA SER 36 0.711 -0.625 4.217 268 1HB SER 36 1HB SER 36 -1.735 0.282 5.803 269 2HB SER 36 2HB SER 36 -1.256 -1.397 5.536 270 HG SER 36 HG SER 36 0.339 0.583 6.797 271 H GLY 37 H GLY 37 -1.930 1.571 3.472 272 1HA GLY 37 1HA GLY 37 -3.776 -0.050 2.208 273 2HA GLY 37 2HA GLY 37 -3.540 1.650 1.818 274 H SER 38 H SER 38 -4.031 -1.025 0.311 275 HA SER 38 HA SER 38 -1.963 -1.710 -1.376 276 1HB SER 38 1HB SER 38 -4.954 -1.637 -1.982 277 2HB SER 38 2HB SER 38 -3.731 -2.666 -2.749 278 HG SER 38 HG SER 38 -3.351 -3.587 -0.680 279 H THR 39 H THR 39 -4.438 0.841 -1.791 280 HA THR 39 HA THR 39 -2.812 2.030 -3.990 281 HB THR 39 HB THR 39 -4.951 1.375 -4.806 282 HG1 THR 39 HG1 THR 39 -5.581 3.443 -5.540 283 1HG2 THR 39 1HG2 THR 39 -7.056 2.407 -4.019 284 2HG2 THR 39 2HG2 THR 39 -6.329 1.446 -2.724 285 3HG2 THR 39 3HG2 THR 39 -6.190 3.218 -2.703 286 H CYS 40 H CYS 40 -2.612 4.214 -4.008 287 HA CYS 40 HA CYS 40 -2.320 5.514 -1.356 288 1HB CYS 40 1HB CYS 40 -1.192 5.956 -4.143 289 2HB CYS 40 2HB CYS 40 -0.869 7.040 -2.807 290 HA PRO 41 HA PRO 41 -5.482 8.513 -2.382 291 1HB PRO 41 1HB PRO 41 -4.452 10.934 -1.601 292 2HB PRO 41 2HB PRO 41 -4.955 9.676 -0.447 293 1HG PRO 41 1HG PRO 41 -2.158 10.121 -1.547 294 2HG PRO 41 2HG PRO 41 -2.650 10.061 0.173 295 1HD PRO 41 1HD PRO 41 -1.667 7.886 -1.016 296 2HD PRO 41 2HD PRO 41 -3.128 7.702 -0.016 297 H SER 42 H SER 42 -5.931 10.409 -3.691 298 HA SER 42 HA SER 42 -5.003 10.081 -6.309 299 1HB SER 42 1HB SER 42 -6.489 12.453 -5.111 300 2HB SER 42 2HB SER 42 -6.446 11.985 -6.824 301 HG SER 42 HG SER 42 -8.312 11.206 -5.748 302 H ASP 43 H ASP 43 -3.644 12.110 -3.765 303 HA ASP 43 HA ASP 43 -2.286 13.872 -5.668 304 1HB ASP 43 1HB ASP 43 -1.577 15.091 -3.746 305 2HB ASP 43 2HB ASP 43 -3.325 14.852 -3.722 306 H TYR 44 H TYR 44 -1.563 10.899 -3.893 307 HA TYR 44 HA TYR 44 1.228 11.088 -4.935 308 1HB TYR 44 1HB TYR 44 0.452 9.691 -2.390 309 2HB TYR 44 2HB TYR 44 2.065 10.048 -2.997 310 HD1 TYR 44 HD1 TYR 44 -0.155 10.918 -0.505 311 HD2 TYR 44 HD2 TYR 44 2.394 12.752 -3.457 312 HE1 TYR 44 HE1 TYR 44 -0.237 13.038 0.749 313 HE2 TYR 44 HE2 TYR 44 2.306 14.884 -2.206 314 HH TYR 44 HH TYR 44 1.399 16.008 -0.397 315 HA PRO 45 HA PRO 45 -1.505 7.390 -5.981 316 1HB PRO 45 1HB PRO 45 -1.632 7.476 -8.713 317 2HB PRO 45 2HB PRO 45 -2.662 8.464 -7.638 318 1HG PRO 45 1HG PRO 45 -0.078 9.305 -8.975 319 2HG PRO 45 2HG PRO 45 -1.645 10.166 -8.986 320 1HD PRO 45 1HD PRO 45 0.297 10.838 -7.211 321 2HD PRO 45 2HD PRO 45 -1.421 10.775 -6.720 322 H LYS 46 H LYS 46 1.674 8.304 -7.346 323 HA LYS 46 HA LYS 46 1.972 5.804 -8.787 324 1HB LYS 46 1HB LYS 46 4.042 7.925 -8.138 325 2HB LYS 46 2HB LYS 46 4.184 6.664 -9.367 326 1HG LYS 46 1HG LYS 46 2.176 8.967 -9.356 327 2HG LYS 46 2HG LYS 46 3.691 8.906 -10.251 328 1HD LYS 46 1HD LYS 46 2.931 7.086 -11.645 329 2HD LYS 46 2HD LYS 46 1.461 6.878 -10.680 330 1HE LYS 46 1HE LYS 46 1.028 8.078 -12.796 331 2HE LYS 46 2HE LYS 46 0.583 9.017 -11.364 332 1HZ LYS 46 1HZ LYS 46 2.589 10.253 -11.591 333 2HZ LYS 46 2HZ LYS 46 3.074 9.362 -12.892 334 3HZ LYS 46 3HZ LYS 46 1.736 10.321 -12.996 Start of MODEL 2 1 1H LYS 1 1H LYS 1 1.460 -0.572 0.565 2 2H LYS 1 2H LYS 1 1.993 0.771 1.356 3 3H LYS 1 3H LYS 1 1.049 0.923 0.020 4 HA LYS 1 HA LYS 1 3.730 -0.249 0.124 5 1HB LYS 1 1HB LYS 1 3.689 -0.340 -2.278 6 2HB LYS 1 2HB LYS 1 2.269 -1.169 -1.648 7 1HG LYS 1 1HG LYS 1 0.842 0.771 -2.181 8 2HG LYS 1 2HG LYS 1 2.252 1.698 -2.696 9 1HD LYS 1 1HD LYS 1 2.690 -0.145 -4.436 10 2HD LYS 1 2HD LYS 1 1.105 -0.794 -3.994 11 1HE LYS 1 1HE LYS 1 0.725 0.583 -5.900 12 2HE LYS 1 2HE LYS 1 0.150 1.535 -4.523 13 1HZ LYS 1 1HZ LYS 1 2.723 1.812 -5.924 14 2HZ LYS 1 2HZ LYS 1 1.460 2.866 -5.970 15 3HZ LYS 1 3HZ LYS 1 2.321 2.668 -4.579 16 H SER 2 H SER 2 4.927 1.188 -1.881 17 HA SER 2 HA SER 2 5.331 3.813 -0.681 18 1HB SER 2 1HB SER 2 6.618 2.534 -3.129 19 2HB SER 2 2HB SER 2 7.192 3.963 -2.240 20 HG SER 2 HG SER 2 8.337 2.201 -1.545 21 H CYS 3 H CYS 3 4.993 5.777 -1.665 22 HA CYS 3 HA CYS 3 2.980 5.842 -3.876 23 1HB CYS 3 1HB CYS 3 2.857 6.479 -0.910 24 2HB CYS 3 2HB CYS 3 1.740 7.242 -2.032 25 H CYS 4 H CYS 4 3.624 7.367 -5.287 26 HA CYS 4 HA CYS 4 5.404 9.536 -4.283 27 1HB CYS 4 1HB CYS 4 5.441 7.983 -6.871 28 2HB CYS 4 2HB CYS 4 6.451 9.364 -6.542 29 HA PRO 5 HA PRO 5 2.629 12.452 -6.018 30 1HB PRO 5 1HB PRO 5 4.198 14.618 -6.429 31 2HB PRO 5 2HB PRO 5 3.861 13.980 -4.801 32 1HG PRO 5 1HG PRO 5 6.312 13.480 -6.514 33 2HG PRO 5 2HG PRO 5 6.252 13.949 -4.792 34 1HD PRO 5 1HD PRO 5 6.557 11.363 -5.590 35 2HD PRO 5 2HD PRO 5 5.635 11.792 -4.130 36 H ASN 6 H ASN 6 5.606 11.828 -7.906 37 HA ASN 6 HA ASN 6 4.176 12.425 -10.448 38 1HB ASN 6 1HB ASN 6 6.812 13.654 -9.539 39 2HB ASN 6 2HB ASN 6 6.211 13.687 -11.200 40 1HD2 ASN 6 1HD2 ASN 6 4.693 16.285 -8.452 41 2HD2 ASN 6 2HD2 ASN 6 5.927 15.106 -8.048 42 H THR 7 H THR 7 5.419 11.759 -12.298 43 HA THR 7 HA THR 7 6.321 9.049 -12.089 44 HB THR 7 HB THR 7 6.696 11.015 -14.393 45 HG1 THR 7 HG1 THR 7 4.715 10.066 -15.094 46 1HG2 THR 7 1HG2 THR 7 6.516 7.966 -14.313 47 2HG2 THR 7 2HG2 THR 7 6.629 8.960 -15.779 48 3HG2 THR 7 3HG2 THR 7 7.986 8.907 -14.643 49 H THR 8 H THR 8 7.990 12.213 -12.513 50 HA THR 8 HA THR 8 10.620 11.176 -12.692 51 HB THR 8 HB THR 8 9.929 13.890 -11.562 52 HG1 THR 8 HG1 THR 8 9.860 13.066 -14.275 53 1HG2 THR 8 1HG2 THR 8 12.092 12.850 -13.463 54 2HG2 THR 8 2HG2 THR 8 11.929 14.522 -12.893 55 3HG2 THR 8 3HG2 THR 8 12.334 13.228 -11.745 56 H GLY 9 H GLY 9 8.531 11.923 -9.954 57 1HA GLY 9 1HA GLY 9 10.541 11.747 -7.887 58 2HA GLY 9 2HA GLY 9 8.787 11.656 -7.693 59 H ARG 10 H ARG 10 8.102 9.454 -9.274 60 HA ARG 10 HA ARG 10 8.804 7.159 -7.771 61 1HB ARG 10 1HB ARG 10 6.756 7.403 -9.101 62 2HB ARG 10 2HB ARG 10 7.692 7.534 -10.586 63 1HG ARG 10 1HG ARG 10 6.719 5.312 -10.344 64 2HG ARG 10 2HG ARG 10 8.481 5.266 -10.401 65 1HD ARG 10 1HD ARG 10 7.677 3.756 -8.697 66 2HD ARG 10 2HD ARG 10 8.524 5.065 -7.889 67 HE ARG 10 HE ARG 10 5.678 5.585 -8.133 68 1HH1 ARG 10 1HH1 ARG 10 4.300 5.326 -6.351 69 2HH1 ARG 10 2HH1 ARG 10 4.768 4.322 -5.000 70 1HH2 ARG 10 1HH2 ARG 10 7.969 3.567 -6.331 71 2HH2 ARG 10 2HH2 ARG 10 6.887 3.331 -4.984 72 H ASN 11 H ASN 11 10.240 8.630 -10.682 73 HA ASN 11 HA ASN 11 11.992 6.414 -11.244 74 1HB ASN 11 1HB ASN 11 12.328 9.349 -11.981 75 2HB ASN 11 2HB ASN 11 13.201 7.986 -12.674 76 1HD2 ASN 11 1HD2 ASN 11 10.288 9.125 -14.841 77 2HD2 ASN 11 2HD2 ASN 11 11.624 9.950 -14.076 78 H ILE 12 H ILE 12 12.478 9.537 -9.424 79 HA ILE 12 HA ILE 12 15.226 8.921 -8.958 80 HB ILE 12 HB ILE 12 13.843 11.191 -8.803 81 1HG1 ILE 12 1HG1 ILE 12 16.213 11.140 -8.925 82 2HG1 ILE 12 2HG1 ILE 12 15.758 12.173 -7.569 83 1HG2 ILE 12 1HG2 ILE 12 14.018 10.435 -5.861 84 2HG2 ILE 12 2HG2 ILE 12 13.611 12.015 -6.545 85 3HG2 ILE 12 3HG2 ILE 12 12.543 10.642 -6.824 86 1HD1 ILE 12 1HD1 ILE 12 17.633 10.857 -6.858 87 2HD1 ILE 12 2HD1 ILE 12 16.233 10.156 -6.031 88 3HD1 ILE 12 3HD1 ILE 12 16.931 9.361 -7.458 89 H TYR 13 H TYR 13 12.251 8.544 -6.992 90 HA TYR 13 HA TYR 13 13.258 7.439 -4.678 91 1HB TYR 13 1HB TYR 13 10.908 8.058 -5.081 92 2HB TYR 13 2HB TYR 13 10.749 6.806 -6.302 93 HD1 TYR 13 HD1 TYR 13 9.931 4.673 -5.684 94 HD2 TYR 13 HD2 TYR 13 11.445 7.361 -2.693 95 HE1 TYR 13 HE1 TYR 13 9.218 3.111 -3.918 96 HE2 TYR 13 HE2 TYR 13 10.758 5.794 -0.919 97 HH TYR 13 HH TYR 13 10.251 3.570 -0.490 98 H ASN 14 H ASN 14 12.457 5.877 -7.789 99 HA ASN 14 HA ASN 14 13.179 3.301 -6.910 100 1HB ASN 14 1HB ASN 14 12.699 4.591 -9.626 101 2HB ASN 14 2HB ASN 14 13.231 2.933 -9.535 102 1HD2 ASN 14 1HD2 ASN 14 9.417 3.259 -9.596 103 2HD2 ASN 14 2HD2 ASN 14 10.635 4.186 -10.443 104 H ALA 15 H ALA 15 15.032 5.860 -8.462 105 HA ALA 15 HA ALA 15 17.300 4.242 -9.196 106 1HB ALA 15 1HB ALA 15 16.875 6.457 -10.180 107 2HB ALA 15 2HB ALA 15 17.154 7.224 -8.602 108 3HB ALA 15 3HB ALA 15 18.479 6.377 -9.422 109 H CYS 16 H CYS 16 16.422 6.155 -6.328 110 HA CYS 16 HA CYS 16 18.765 5.820 -4.775 111 1HB CYS 16 1HB CYS 16 16.926 7.437 -4.334 112 2HB CYS 16 2HB CYS 16 15.851 6.123 -3.985 113 H ARG 17 H ARG 17 15.638 3.960 -4.753 114 HA ARG 17 HA ARG 17 16.406 1.983 -2.971 115 1HB ARG 17 1HB ARG 17 14.531 1.914 -5.365 116 2HB ARG 17 2HB ARG 17 14.567 0.648 -4.140 117 1HG ARG 17 1HG ARG 17 14.258 3.487 -3.139 118 2HG ARG 17 2HG ARG 17 12.901 2.790 -4.032 119 1HD ARG 17 1HD ARG 17 12.831 2.478 -1.548 120 2HD ARG 17 2HD ARG 17 12.673 1.012 -2.534 121 HE ARG 17 HE ARG 17 15.269 1.881 -1.311 122 1HH1 ARG 17 1HH1 ARG 17 16.361 0.383 -0.050 123 2HH1 ARG 17 2HH1 ARG 17 15.559 -1.107 0.409 124 1HH2 ARG 17 1HH2 ARG 17 12.675 -0.597 -1.476 125 2HH2 ARG 17 2HH2 ARG 17 13.565 -1.709 -0.476 126 H LEU 18 H LEU 18 16.782 1.937 -6.542 127 HA LEU 18 HA LEU 18 17.854 -0.677 -6.742 128 1HB LEU 18 1HB LEU 18 18.116 1.811 -8.464 129 2HB LEU 18 2HB LEU 18 18.806 0.260 -8.941 130 HG LEU 18 HG LEU 18 15.873 0.536 -8.242 131 1HD1 LEU 18 1HD1 LEU 18 17.172 0.803 -10.990 132 2HD1 LEU 18 2HD1 LEU 18 15.425 0.734 -10.670 133 3HD1 LEU 18 3HD1 LEU 18 16.377 2.110 -10.089 134 1HD2 LEU 18 1HD2 LEU 18 17.418 -1.503 -9.907 135 2HD2 LEU 18 2HD2 LEU 18 16.726 -1.785 -8.296 136 3HD2 LEU 18 3HD2 LEU 18 15.659 -1.485 -9.671 137 H THR 19 H THR 19 19.425 2.456 -6.130 138 HA THR 19 HA THR 19 22.092 1.212 -5.987 139 HB THR 19 HB THR 19 22.842 3.474 -5.316 140 HG1 THR 19 HG1 THR 19 20.133 4.180 -5.770 141 1HG2 THR 19 1HG2 THR 19 22.816 2.818 -7.679 142 2HG2 THR 19 2HG2 THR 19 21.141 3.382 -7.843 143 3HG2 THR 19 3HG2 THR 19 22.435 4.539 -7.482 144 H GLY 20 H GLY 20 19.929 0.188 -4.197 145 1HA GLY 20 1HA GLY 20 19.990 -0.913 -2.254 146 2HA GLY 20 2HA GLY 20 21.714 -0.534 -2.177 147 H ALA 21 H ALA 21 19.400 2.131 -2.184 148 HA ALA 21 HA ALA 21 20.162 2.738 0.620 149 1HB ALA 21 1HB ALA 21 19.223 4.990 0.076 150 2HB ALA 21 2HB ALA 21 20.586 4.487 -0.948 151 3HB ALA 21 3HB ALA 21 18.935 4.391 -1.572 152 HA PRO 22 HA PRO 22 16.344 1.230 2.044 153 1HB PRO 22 1HB PRO 22 16.039 2.374 4.482 154 2HB PRO 22 2HB PRO 22 17.421 1.320 4.086 155 1HG PRO 22 1HG PRO 22 17.354 4.348 3.951 156 2HG PRO 22 2HG PRO 22 18.527 3.330 4.841 157 1HD PRO 22 1HD PRO 22 19.090 4.242 2.351 158 2HD PRO 22 2HD PRO 22 19.524 2.570 2.821 159 H ARG 23 H ARG 23 14.106 1.649 2.574 160 HA ARG 23 HA ARG 23 12.951 3.320 0.704 161 1HB ARG 23 1HB ARG 23 11.620 2.061 3.133 162 2HB ARG 23 2HB ARG 23 10.795 2.804 1.766 163 1HG ARG 23 1HG ARG 23 11.760 1.153 0.228 164 2HG ARG 23 2HG ARG 23 12.704 0.445 1.554 165 1HD ARG 23 1HD ARG 23 10.807 -0.950 1.224 166 2HD ARG 23 2HD ARG 23 10.585 -0.081 2.753 167 HE ARG 23 HE ARG 23 9.351 1.277 0.495 168 1HH1 ARG 23 1HH1 ARG 23 7.071 1.220 0.240 169 2HH1 ARG 23 2HH1 ARG 23 6.108 0.126 1.206 170 1HH2 ARG 23 1HH2 ARG 23 8.868 -1.358 2.830 171 2HH2 ARG 23 2HH2 ARG 23 7.133 -1.359 2.659 172 HA PRO 24 HA PRO 24 11.577 6.393 4.165 173 1HB PRO 24 1HB PRO 24 13.972 6.286 5.995 174 2HB PRO 24 2HB PRO 24 12.260 6.599 6.398 175 1HG PRO 24 1HG PRO 24 13.339 4.168 6.896 176 2HG PRO 24 2HG PRO 24 11.720 4.268 6.134 177 1HD PRO 24 1HD PRO 24 14.397 3.915 4.758 178 2HD PRO 24 2HD PRO 24 12.935 2.908 4.598 179 H THR 25 H THR 25 15.149 6.087 3.759 180 HA THR 25 HA THR 25 15.699 8.852 3.531 181 HB THR 25 HB THR 25 17.203 6.470 2.348 182 HG1 THR 25 HG1 THR 25 17.393 7.758 4.868 183 1HG2 THR 25 1HG2 THR 25 18.049 8.610 1.453 184 2HG2 THR 25 2HG2 THR 25 18.149 9.275 3.099 185 3HG2 THR 25 3HG2 THR 25 19.198 7.926 2.614 186 H CYS 26 H CYS 26 15.032 6.366 1.057 187 HA CYS 26 HA CYS 26 15.348 8.108 -1.200 188 1HB CYS 26 1HB CYS 26 13.792 5.504 -0.938 189 2HB CYS 26 2HB CYS 26 14.254 6.284 -2.426 190 H ALA 27 H ALA 27 12.608 7.174 0.856 191 HA ALA 27 HA ALA 27 10.519 8.261 -0.701 192 1HB ALA 27 1HB ALA 27 9.213 8.241 1.362 193 2HB ALA 27 2HB ALA 27 10.117 6.738 1.182 194 3HB ALA 27 3HB ALA 27 10.676 7.980 2.323 195 H LYS 28 H LYS 28 12.754 9.805 1.647 196 HA LYS 28 HA LYS 28 11.306 12.391 1.299 197 1HB LYS 28 1HB LYS 28 13.594 11.690 3.116 198 2HB LYS 28 2HB LYS 28 12.669 13.202 3.102 199 1HG LYS 28 1HG LYS 28 11.546 10.426 3.725 200 2HG LYS 28 2HG LYS 28 11.980 11.682 4.878 201 1HD LYS 28 1HD LYS 28 9.723 11.864 4.820 202 2HD LYS 28 2HD LYS 28 10.189 13.159 3.712 203 1HE LYS 28 1HE LYS 28 9.365 11.915 1.815 204 2HE LYS 28 2HE LYS 28 9.482 10.371 2.678 205 1HZ LYS 28 1HZ LYS 28 7.635 11.084 3.998 206 2HZ LYS 28 2HZ LYS 28 7.568 12.528 3.196 207 3HZ LYS 28 3HZ LYS 28 7.285 11.118 2.383 208 H LEU 29 H LEU 29 14.247 10.865 0.125 209 HA LEU 29 HA LEU 29 15.378 13.236 -0.995 210 1HB LEU 29 1HB LEU 29 16.561 11.082 -0.882 211 2HB LEU 29 2HB LEU 29 15.373 10.355 -1.971 212 HG LEU 29 HG LEU 29 16.091 11.852 -3.804 213 1HD1 LEU 29 1HD1 LEU 29 18.159 12.842 -1.784 214 2HD1 LEU 29 2HD1 LEU 29 18.216 13.150 -3.532 215 3HD1 LEU 29 3HD1 LEU 29 16.896 13.818 -2.568 216 1HD2 LEU 29 1HD2 LEU 29 18.370 10.346 -2.455 217 2HD2 LEU 29 2HD2 LEU 29 17.119 9.638 -3.499 218 3HD2 LEU 29 3HD2 LEU 29 18.281 10.795 -4.172 219 H SER 30 H SER 30 12.833 10.952 -2.076 220 HA SER 30 HA SER 30 12.339 12.353 -4.578 221 1HB SER 30 1HB SER 30 10.678 10.587 -4.871 222 2HB SER 30 2HB SER 30 12.234 9.897 -4.360 223 HG SER 30 HG SER 30 11.416 9.789 -2.239 224 H GLY 31 H GLY 31 10.826 12.141 -1.327 225 1HA GLY 31 1HA GLY 31 9.189 13.562 -0.469 226 2HA GLY 31 2HA GLY 31 8.755 14.132 -2.081 227 H CYS 32 H CYS 32 9.125 10.680 -2.082 228 HA CYS 32 HA CYS 32 6.293 10.154 -2.289 229 1HB CYS 32 1HB CYS 32 8.470 8.173 -1.805 230 2HB CYS 32 2HB CYS 32 6.865 7.863 -2.412 231 H LYS 33 H LYS 33 5.195 8.582 -0.794 232 HA LYS 33 HA LYS 33 6.041 8.732 2.036 233 1HB LYS 33 1HB LYS 33 3.755 8.938 2.759 234 2HB LYS 33 2HB LYS 33 4.226 10.295 1.719 235 1HG LYS 33 1HG LYS 33 3.072 9.227 -0.187 236 2HG LYS 33 2HG LYS 33 2.620 7.843 0.829 237 1HD LYS 33 1HD LYS 33 0.768 9.447 0.486 238 2HD LYS 33 2HD LYS 33 1.161 9.160 2.193 239 1HE LYS 33 1HE LYS 33 2.322 11.248 2.380 240 2HE LYS 33 2HE LYS 33 2.330 11.477 0.631 241 1HZ LYS 33 1HZ LYS 33 -0.082 11.765 0.745 242 2HZ LYS 33 2HZ LYS 33 -0.067 11.479 2.366 243 3HZ LYS 33 3HZ LYS 33 0.662 12.821 1.754 244 H ILE 34 H ILE 34 5.117 6.957 3.292 245 HA ILE 34 HA ILE 34 4.996 4.426 1.707 246 HB ILE 34 HB ILE 34 6.655 5.151 4.148 247 1HG1 ILE 34 1HG1 ILE 34 7.402 6.087 1.822 248 2HG1 ILE 34 2HG1 ILE 34 8.544 5.254 2.838 249 1HG2 ILE 34 1HG2 ILE 34 6.373 2.550 2.598 250 2HG2 ILE 34 2HG2 ILE 34 7.681 2.880 3.761 251 3HG2 ILE 34 3HG2 ILE 34 5.995 2.835 4.303 252 1HD1 ILE 34 1HD1 ILE 34 8.426 3.262 1.454 253 2HD1 ILE 34 2HD1 ILE 34 7.023 3.917 0.594 254 3HD1 ILE 34 3HD1 ILE 34 8.606 4.678 0.397 255 H ILE 35 H ILE 35 3.009 3.630 2.093 256 HA ILE 35 HA ILE 35 1.835 3.857 4.841 257 HB ILE 35 HB ILE 35 -0.313 3.953 3.761 258 1HG1 ILE 35 1HG1 ILE 35 1.155 4.299 1.114 259 2HG1 ILE 35 2HG1 ILE 35 0.394 2.781 1.619 260 1HG2 ILE 35 1HG2 ILE 35 -0.203 6.283 3.093 261 2HG2 ILE 35 2HG2 ILE 35 0.962 6.017 4.391 262 3HG2 ILE 35 3HG2 ILE 35 1.525 6.148 2.713 263 1HD1 ILE 35 1HD1 ILE 35 -1.780 3.972 1.870 264 2HD1 ILE 35 2HD1 ILE 35 -1.022 5.423 1.167 265 3HD1 ILE 35 3HD1 ILE 35 -1.135 3.931 0.214 266 H SER 36 H SER 36 0.118 2.189 5.222 267 HA SER 36 HA SER 36 1.002 -0.494 4.594 268 1HB SER 36 1HB SER 36 -1.434 0.680 6.013 269 2HB SER 36 2HB SER 36 -1.035 -1.038 5.916 270 HG SER 36 HG SER 36 0.625 0.968 7.045 271 H GLY 37 H GLY 37 -1.377 1.824 3.465 272 1HA GLY 37 1HA GLY 37 -3.303 0.152 2.357 273 2HA GLY 37 2HA GLY 37 -2.992 1.798 1.814 274 H SER 38 H SER 38 -3.525 -1.006 0.560 275 HA SER 38 HA SER 38 -1.427 -1.815 -1.073 276 1HB SER 38 1HB SER 38 -4.432 -1.896 -1.607 277 2HB SER 38 2HB SER 38 -3.189 -2.936 -2.328 278 HG SER 38 HG SER 38 -4.220 -3.924 -0.542 279 H THR 39 H THR 39 -3.992 0.612 -1.649 280 HA THR 39 HA THR 39 -2.502 1.620 -4.030 281 HB THR 39 HB THR 39 -4.749 0.959 -4.585 282 HG1 THR 39 HG1 THR 39 -5.377 2.975 -5.437 283 1HG2 THR 39 1HG2 THR 39 -6.720 2.150 -3.692 284 2HG2 THR 39 2HG2 THR 39 -5.903 1.271 -2.392 285 3HG2 THR 39 3HG2 THR 39 -5.698 3.031 -2.543 286 H CYS 40 H CYS 40 -2.484 3.891 -4.258 287 HA CYS 40 HA CYS 40 -1.733 5.283 -1.758 288 1HB CYS 40 1HB CYS 40 -1.202 5.801 -4.714 289 2HB CYS 40 2HB CYS 40 -0.526 6.722 -3.373 290 HA PRO 41 HA PRO 41 -5.225 7.974 -2.273 291 1HB PRO 41 1HB PRO 41 -4.539 10.272 -1.090 292 2HB PRO 41 2HB PRO 41 -4.535 8.758 -0.168 293 1HG PRO 41 1HG PRO 41 -2.144 10.053 -1.516 294 2HG PRO 41 2HG PRO 41 -2.274 9.549 0.194 295 1HD PRO 41 1HD PRO 41 -1.160 7.956 -1.699 296 2HD PRO 41 2HD PRO 41 -2.151 7.256 -0.391 297 H SER 42 H SER 42 -5.922 10.139 -3.170 298 HA SER 42 HA SER 42 -5.189 10.489 -5.832 299 1HB SER 42 1HB SER 42 -6.450 12.522 -3.942 300 2HB SER 42 2HB SER 42 -6.551 12.525 -5.715 301 HG SER 42 HG SER 42 -7.583 10.464 -5.543 302 H ASP 43 H ASP 43 -3.848 12.044 -2.920 303 HA ASP 43 HA ASP 43 -2.435 14.096 -4.360 304 1HB ASP 43 1HB ASP 43 -1.285 14.409 -2.109 305 2HB ASP 43 2HB ASP 43 -3.007 14.735 -2.251 306 H TYR 44 H TYR 44 -1.688 10.716 -3.875 307 HA TYR 44 HA TYR 44 0.986 11.230 -5.085 308 1HB TYR 44 1HB TYR 44 0.424 9.355 -2.771 309 2HB TYR 44 2HB TYR 44 1.867 9.355 -3.758 310 HD1 TYR 44 HD1 TYR 44 -0.140 11.536 -1.514 311 HD2 TYR 44 HD2 TYR 44 3.708 10.778 -3.217 312 HE1 TYR 44 HE1 TYR 44 0.669 13.731 -0.646 313 HE2 TYR 44 HE2 TYR 44 4.547 12.913 -2.315 314 HH TYR 44 HH TYR 44 4.042 14.832 -1.150 315 HA PRO 45 HA PRO 45 -1.706 8.196 -7.253 316 1HB PRO 45 1HB PRO 45 -2.050 9.365 -9.663 317 2HB PRO 45 2HB PRO 45 -2.811 10.025 -8.190 318 1HG PRO 45 1HG PRO 45 -0.217 10.934 -9.470 319 2HG PRO 45 2HG PRO 45 -1.620 11.942 -9.013 320 1HD PRO 45 1HD PRO 45 0.566 11.587 -7.374 321 2HD PRO 45 2HD PRO 45 -1.086 11.812 -6.739 322 H LYS 46 H LYS 46 1.574 8.626 -7.331 323 HA LYS 46 HA LYS 46 1.967 6.821 -9.684 324 1HB LYS 46 1HB LYS 46 3.820 8.993 -8.647 325 2HB LYS 46 2HB LYS 46 4.139 7.910 -10.003 326 1HG LYS 46 1HG LYS 46 1.850 9.931 -9.910 327 2HG LYS 46 2HG LYS 46 3.424 10.206 -10.636 328 1HD LYS 46 1HD LYS 46 3.084 8.400 -12.260 329 2HD LYS 46 2HD LYS 46 1.517 8.008 -11.527 330 1HE LYS 46 1HE LYS 46 1.201 9.334 -13.542 331 2HE LYS 46 2HE LYS 46 0.638 10.225 -12.117 332 1HZ LYS 46 1HZ LYS 46 3.251 10.600 -13.418 333 2HZ LYS 46 2HZ LYS 46 1.930 11.566 -13.641 334 3HZ LYS 46 3HZ LYS 46 2.645 11.482 -12.161 Start of MODEL 3 1 1H LYS 1 1H LYS 1 1.253 0.721 0.813 2 2H LYS 1 2H LYS 1 0.291 1.235 -0.417 3 3H LYS 1 3H LYS 1 0.547 -0.372 -0.201 4 HA LYS 1 HA LYS 1 2.820 -0.207 -0.708 5 1HB LYS 1 1HB LYS 1 2.731 0.245 -3.049 6 2HB LYS 1 2HB LYS 1 1.244 -0.568 -2.566 7 1HG LYS 1 1HG LYS 1 -0.005 1.548 -2.673 8 2HG LYS 1 2HG LYS 1 1.487 2.444 -2.954 9 1HD LYS 1 1HD LYS 1 1.819 1.063 -5.084 10 2HD LYS 1 2HD LYS 1 0.192 0.431 -4.810 11 1HE LYS 1 1HE LYS 1 -0.125 2.202 -6.333 12 2HE LYS 1 2HE LYS 1 -0.590 2.900 -4.777 13 1HZ LYS 1 1HZ LYS 1 0.803 4.402 -5.972 14 2HZ LYS 1 2HZ LYS 1 1.697 3.834 -4.707 15 3HZ LYS 1 3HZ LYS 1 1.955 3.257 -6.217 16 H SER 2 H SER 2 4.266 1.326 -2.256 17 HA SER 2 HA SER 2 4.862 3.727 -0.742 18 1HB SER 2 1HB SER 2 6.011 2.685 -3.354 19 2HB SER 2 2HB SER 2 6.690 3.990 -2.359 20 HG SER 2 HG SER 2 7.505 1.691 -2.170 21 H CYS 3 H CYS 3 4.582 5.801 -1.416 22 HA CYS 3 HA CYS 3 2.469 6.325 -3.462 23 1HB CYS 3 1HB CYS 3 2.759 7.098 -0.521 24 2HB CYS 3 2HB CYS 3 1.637 7.876 -1.608 25 H CYS 4 H CYS 4 3.419 7.596 -4.949 26 HA CYS 4 HA CYS 4 5.360 9.672 -4.039 27 1HB CYS 4 1HB CYS 4 5.249 8.133 -6.622 28 2HB CYS 4 2HB CYS 4 6.336 9.466 -6.295 29 HA PRO 5 HA PRO 5 2.601 12.825 -5.700 30 1HB PRO 5 1HB PRO 5 5.213 13.994 -6.673 31 2HB PRO 5 2HB PRO 5 3.839 14.817 -5.884 32 1HG PRO 5 1HG PRO 5 6.056 14.170 -4.462 33 2HG PRO 5 2HG PRO 5 4.437 13.878 -3.762 34 1HD PRO 5 1HD PRO 5 6.288 11.880 -5.081 35 2HD PRO 5 2HD PRO 5 5.298 11.741 -3.598 36 H ASN 6 H ASN 6 5.367 11.810 -7.746 37 HA ASN 6 HA ASN 6 3.640 11.638 -10.150 38 1HB ASN 6 1HB ASN 6 5.997 13.549 -9.842 39 2HB ASN 6 2HB ASN 6 5.305 13.084 -11.398 40 1HD2 ASN 6 1HD2 ASN 6 3.420 15.900 -9.152 41 2HD2 ASN 6 2HD2 ASN 6 4.895 15.120 -8.611 42 H THR 7 H THR 7 4.855 10.935 -12.024 43 HA THR 7 HA THR 7 6.151 8.477 -11.579 44 HB THR 7 HB THR 7 6.158 10.203 -14.091 45 HG1 THR 7 HG1 THR 7 4.288 8.282 -13.169 46 1HG2 THR 7 1HG2 THR 7 7.664 8.241 -14.253 47 2HG2 THR 7 2HG2 THR 7 6.357 7.180 -13.682 48 3HG2 THR 7 3HG2 THR 7 6.216 8.005 -15.248 49 H THR 8 H THR 8 7.456 11.758 -12.305 50 HA THR 8 HA THR 8 10.154 11.026 -12.627 51 HB THR 8 HB THR 8 9.247 13.623 -11.378 52 HG1 THR 8 HG1 THR 8 8.857 14.277 -13.539 53 1HG2 THR 8 1HG2 THR 8 11.395 12.872 -13.426 54 2HG2 THR 8 2HG2 THR 8 11.094 14.501 -12.788 55 3HG2 THR 8 3HG2 THR 8 11.698 13.223 -11.711 56 H GLY 9 H GLY 9 8.215 11.570 -9.718 57 1HA GLY 9 1HA GLY 9 10.402 11.520 -7.826 58 2HA GLY 9 2HA GLY 9 8.677 11.344 -7.487 59 H ARG 10 H ARG 10 8.002 9.099 -9.049 60 HA ARG 10 HA ARG 10 8.900 6.835 -7.604 61 1HB ARG 10 1HB ARG 10 6.804 6.959 -8.863 62 2HB ARG 10 2HB ARG 10 7.680 7.149 -10.376 63 1HG ARG 10 1HG ARG 10 6.845 4.870 -10.077 64 2HG ARG 10 2HG ARG 10 8.594 4.956 -10.283 65 1HD ARG 10 1HD ARG 10 7.992 3.372 -8.548 66 2HD ARG 10 2HD ARG 10 8.892 4.693 -7.811 67 HE ARG 10 HE ARG 10 6.198 5.402 -7.604 68 1HH1 ARG 10 1HH1 ARG 10 4.812 4.905 -5.969 69 2HH1 ARG 10 2HH1 ARG 10 5.059 3.542 -4.909 70 1HH2 ARG 10 1HH2 ARG 10 8.131 2.632 -6.512 71 2HH2 ARG 10 2HH2 ARG 10 7.006 2.198 -5.253 72 H ASN 11 H ASN 11 10.150 8.396 -10.570 73 HA ASN 11 HA ASN 11 11.990 6.273 -11.192 74 1HB ASN 11 1HB ASN 11 12.166 9.223 -11.928 75 2HB ASN 11 2HB ASN 11 13.063 7.901 -12.665 76 1HD2 ASN 11 1HD2 ASN 11 9.974 8.931 -14.665 77 2HD2 ASN 11 2HD2 ASN 11 11.292 9.825 -13.946 78 H ILE 12 H ILE 12 12.381 9.399 -9.366 79 HA ILE 12 HA ILE 12 15.172 8.899 -8.987 80 HB ILE 12 HB ILE 12 13.701 11.109 -8.796 81 1HG1 ILE 12 1HG1 ILE 12 16.067 11.152 -9.003 82 2HG1 ILE 12 2HG1 ILE 12 15.618 12.174 -7.637 83 1HG2 ILE 12 1HG2 ILE 12 14.013 10.374 -5.861 84 2HG2 ILE 12 2HG2 ILE 12 13.520 11.934 -6.536 85 3HG2 ILE 12 3HG2 ILE 12 12.497 10.518 -6.772 86 1HD1 ILE 12 1HD1 ILE 12 16.229 10.187 -6.107 87 2HD1 ILE 12 2HD1 ILE 12 16.906 9.411 -7.554 88 3HD1 ILE 12 3HD1 ILE 12 17.570 10.938 -6.986 89 H TYR 13 H TYR 13 12.284 8.397 -6.929 90 HA TYR 13 HA TYR 13 13.418 7.350 -4.641 91 1HB TYR 13 1HB TYR 13 11.029 7.883 -4.947 92 2HB TYR 13 2HB TYR 13 10.886 6.650 -6.187 93 HD1 TYR 13 HD1 TYR 13 9.500 4.937 -5.488 94 HD2 TYR 13 HD2 TYR 13 12.138 6.788 -2.640 95 HE1 TYR 13 HE1 TYR 13 8.585 3.502 -3.716 96 HE2 TYR 13 HE2 TYR 13 11.229 5.342 -0.852 97 HH TYR 13 HH TYR 13 8.680 2.905 -1.481 98 H ASN 14 H ASN 14 12.578 5.754 -7.723 99 HA ASN 14 HA ASN 14 13.424 3.205 -6.889 100 1HB ASN 14 1HB ASN 14 12.877 4.506 -9.589 101 2HB ASN 14 2HB ASN 14 13.479 2.871 -9.521 102 1HD2 ASN 14 1HD2 ASN 14 9.664 3.033 -9.598 103 2HD2 ASN 14 2HD2 ASN 14 10.841 4.041 -10.408 104 H ALA 15 H ALA 15 15.145 5.849 -8.477 105 HA ALA 15 HA ALA 15 17.445 4.310 -9.271 106 1HB ALA 15 1HB ALA 15 16.913 6.506 -10.246 107 2HB ALA 15 2HB ALA 15 17.210 7.288 -8.679 108 3HB ALA 15 3HB ALA 15 18.540 6.486 -9.537 109 H CYS 16 H CYS 16 16.589 6.203 -6.386 110 HA CYS 16 HA CYS 16 18.999 5.962 -4.916 111 1HB CYS 16 1HB CYS 16 17.123 7.527 -4.432 112 2HB CYS 16 2HB CYS 16 16.110 6.182 -4.019 113 H ARG 17 H ARG 17 15.936 4.008 -4.755 114 HA ARG 17 HA ARG 17 16.813 2.080 -2.955 115 1HB ARG 17 1HB ARG 17 14.884 1.894 -5.298 116 2HB ARG 17 2HB ARG 17 14.991 0.677 -4.027 117 1HG ARG 17 1HG ARG 17 14.610 3.536 -3.113 118 2HG ARG 17 2HG ARG 17 13.262 2.770 -3.964 119 1HD ARG 17 1HD ARG 17 13.163 2.527 -1.512 120 2HD ARG 17 2HD ARG 17 13.173 0.989 -2.410 121 HE ARG 17 HE ARG 17 15.728 2.049 -1.330 122 1HH1 ARG 17 1HH1 ARG 17 16.845 0.699 0.098 123 2HH1 ARG 17 2HH1 ARG 17 15.993 -0.616 0.883 124 1HH2 ARG 17 1HH2 ARG 17 12.955 -0.127 -0.768 125 2HH2 ARG 17 2HH2 ARG 17 13.837 -1.127 0.354 126 H LEU 18 H LEU 18 17.072 1.993 -6.538 127 HA LEU 18 HA LEU 18 18.209 -0.593 -6.742 128 1HB LEU 18 1HB LEU 18 18.327 1.872 -8.514 129 2HB LEU 18 2HB LEU 18 19.033 0.329 -8.996 130 HG LEU 18 HG LEU 18 16.127 0.552 -8.175 131 1HD1 LEU 18 1HD1 LEU 18 15.572 0.693 -10.583 132 2HD1 LEU 18 2HD1 LEU 18 16.522 2.098 -10.074 133 3HD1 LEU 18 3HD1 LEU 18 17.302 0.785 -10.981 134 1HD2 LEU 18 1HD2 LEU 18 15.899 -1.502 -9.554 135 2HD2 LEU 18 2HD2 LEU 18 17.646 -1.488 -9.860 136 3HD2 LEU 18 3HD2 LEU 18 17.025 -1.750 -8.217 137 H THR 19 H THR 19 19.716 2.595 -6.254 138 HA THR 19 HA THR 19 22.422 1.433 -6.228 139 HB THR 19 HB THR 19 23.134 3.725 -5.621 140 HG1 THR 19 HG1 THR 19 20.385 4.343 -5.945 141 1HG2 THR 19 1HG2 THR 19 23.014 3.042 -7.971 142 2HG2 THR 19 2HG2 THR 19 21.315 3.545 -8.059 143 3HG2 THR 19 3HG2 THR 19 22.583 4.751 -7.775 144 H GLY 20 H GLY 20 20.384 0.370 -4.317 145 1HA GLY 20 1HA GLY 20 20.537 -0.664 -2.341 146 2HA GLY 20 2HA GLY 20 22.263 -0.284 -2.371 147 H ALA 21 H ALA 21 19.889 2.340 -2.315 148 HA ALA 21 HA ALA 21 20.837 3.078 0.398 149 1HB ALA 21 1HB ALA 21 19.792 5.278 -0.154 150 2HB ALA 21 2HB ALA 21 21.074 4.772 -1.276 151 3HB ALA 21 3HB ALA 21 19.378 4.606 -1.744 152 HA PRO 22 HA PRO 22 17.226 1.510 2.207 153 1HB PRO 22 1HB PRO 22 16.997 2.854 4.562 154 2HB PRO 22 2HB PRO 22 18.381 1.801 4.172 155 1HG PRO 22 1HG PRO 22 18.222 4.803 3.812 156 2HG PRO 22 2HG PRO 22 19.481 3.883 4.691 157 1HD PRO 22 1HD PRO 22 19.858 4.628 2.118 158 2HD PRO 22 2HD PRO 22 20.361 2.999 2.663 159 H ARG 23 H ARG 23 14.970 1.781 2.683 160 HA ARG 23 HA ARG 23 13.702 3.282 0.785 161 1HB ARG 23 1HB ARG 23 13.062 1.144 1.946 162 2HB ARG 23 2HB ARG 23 12.402 2.114 3.262 163 1HG ARG 23 1HG ARG 23 10.810 3.175 1.727 164 2HG ARG 23 2HG ARG 23 11.532 2.309 0.345 165 1HD ARG 23 1HD ARG 23 11.024 0.148 1.384 166 2HD ARG 23 2HD ARG 23 10.411 0.973 2.826 167 HE ARG 23 HE ARG 23 9.012 1.846 0.456 168 1HH1 ARG 23 1HH1 ARG 23 6.919 1.015 -0.068 169 2HH1 ARG 23 2HH1 ARG 23 6.315 -0.403 0.753 170 1HH2 ARG 23 1HH2 ARG 23 9.222 -0.904 2.692 171 2HH2 ARG 23 2HH2 ARG 23 7.630 -1.506 2.311 172 HA PRO 24 HA PRO 24 12.087 6.325 4.193 173 1HB PRO 24 1HB PRO 24 14.507 6.464 5.985 174 2HB PRO 24 2HB PRO 24 12.781 6.636 6.409 175 1HG PRO 24 1HG PRO 24 14.082 4.324 6.949 176 2HG PRO 24 2HG PRO 24 12.446 4.261 6.221 177 1HD PRO 24 1HD PRO 24 15.115 4.106 4.795 178 2HD PRO 24 2HD PRO 24 13.747 2.968 4.696 179 H THR 25 H THR 25 15.680 6.297 3.795 180 HA THR 25 HA THR 25 16.004 9.071 3.449 181 HB THR 25 HB THR 25 17.689 6.790 2.322 182 HG1 THR 25 HG1 THR 25 18.815 7.104 4.301 183 1HG2 THR 25 1HG2 THR 25 18.340 8.971 1.358 184 2HG2 THR 25 2HG2 THR 25 18.400 9.684 2.986 185 3HG2 THR 25 3HG2 THR 25 19.556 8.418 2.520 186 H CYS 26 H CYS 26 15.471 6.474 1.052 187 HA CYS 26 HA CYS 26 15.628 8.171 -1.255 188 1HB CYS 26 1HB CYS 26 14.222 5.495 -0.892 189 2HB CYS 26 2HB CYS 26 14.601 6.270 -2.408 190 H ALA 27 H ALA 27 12.972 7.126 0.876 191 HA ALA 27 HA ALA 27 10.826 8.088 -0.695 192 1HB ALA 27 1HB ALA 27 9.518 8.004 1.366 193 2HB ALA 27 2HB ALA 27 10.502 6.548 1.180 194 3HB ALA 27 3HB ALA 27 10.993 7.812 2.328 195 H LYS 28 H LYS 28 13.010 9.761 1.615 196 HA LYS 28 HA LYS 28 11.422 12.266 1.332 197 1HB LYS 28 1HB LYS 28 13.871 11.709 2.986 198 2HB LYS 28 2HB LYS 28 12.856 13.159 3.039 199 1HG LYS 28 1HG LYS 28 11.979 10.327 3.770 200 2HG LYS 28 2HG LYS 28 12.400 11.633 4.870 201 1HD LYS 28 1HD LYS 28 10.132 11.629 4.969 202 2HD LYS 28 2HD LYS 28 10.420 12.946 3.828 203 1HE LYS 28 1HE LYS 28 9.570 11.636 1.998 204 2HE LYS 28 2HE LYS 28 9.883 10.107 2.836 205 1HZ LYS 28 1HZ LYS 28 7.834 12.078 3.536 206 2HZ LYS 28 2HZ LYS 28 7.610 10.671 2.700 207 3HZ LYS 28 3HZ LYS 28 8.080 10.625 4.284 208 H LEU 29 H LEU 29 14.451 10.922 0.099 209 HA LEU 29 HA LEU 29 15.400 13.315 -1.110 210 1HB LEU 29 1HB LEU 29 16.703 11.233 -0.987 211 2HB LEU 29 2HB LEU 29 15.526 10.415 -2.022 212 HG LEU 29 HG LEU 29 16.113 11.902 -3.912 213 1HD1 LEU 29 1HD1 LEU 29 18.185 13.044 -1.978 214 2HD1 LEU 29 2HD1 LEU 29 18.171 13.315 -3.733 215 3HD1 LEU 29 3HD1 LEU 29 16.848 13.935 -2.741 216 1HD2 LEU 29 1HD2 LEU 29 17.262 9.751 -3.587 217 2HD2 LEU 29 2HD2 LEU 29 18.342 10.949 -4.320 218 3HD2 LEU 29 3HD2 LEU 29 18.503 10.547 -2.596 219 H SER 30 H SER 30 12.961 10.876 -2.088 220 HA SER 30 HA SER 30 12.304 12.221 -4.581 221 1HB SER 30 1HB SER 30 10.704 10.395 -4.792 222 2HB SER 30 2HB SER 30 12.299 9.765 -4.328 223 HG SER 30 HG SER 30 11.554 9.648 -2.179 224 H GLY 31 H GLY 31 10.985 12.081 -1.249 225 1HA GLY 31 1HA GLY 31 9.296 13.335 -0.321 226 2HA GLY 31 2HA GLY 31 8.904 14.069 -1.880 227 H CYS 32 H CYS 32 9.282 10.559 -1.804 228 HA CYS 32 HA CYS 32 6.407 10.059 -2.043 229 1HB CYS 32 1HB CYS 32 8.658 8.085 -1.775 230 2HB CYS 32 2HB CYS 32 7.006 7.752 -2.254 231 H LYS 33 H LYS 33 5.540 8.270 -0.551 232 HA LYS 33 HA LYS 33 6.577 8.123 2.164 233 1HB LYS 33 1HB LYS 33 4.452 8.946 3.159 234 2HB LYS 33 2HB LYS 33 5.393 10.191 2.356 235 1HG LYS 33 1HG LYS 33 3.676 9.203 0.309 236 2HG LYS 33 2HG LYS 33 2.713 9.152 1.759 237 1HD LYS 33 1HD LYS 33 2.379 11.303 0.761 238 2HD LYS 33 2HD LYS 33 3.422 11.609 2.157 239 1HE LYS 33 1HE LYS 33 5.414 11.603 0.637 240 2HE LYS 33 2HE LYS 33 4.361 11.232 -0.741 241 1HZ LYS 33 1HZ LYS 33 4.934 13.510 -0.623 242 2HZ LYS 33 2HZ LYS 33 3.309 13.332 -0.406 243 3HZ LYS 33 3HZ LYS 33 4.278 13.673 0.884 244 H ILE 34 H ILE 34 4.927 6.648 3.439 245 HA ILE 34 HA ILE 34 4.274 4.409 1.558 246 HB ILE 34 HB ILE 34 5.775 4.317 4.184 247 1HG1 ILE 34 1HG1 ILE 34 7.087 5.589 2.463 248 2HG1 ILE 34 2HG1 ILE 34 7.805 4.115 3.057 249 1HG2 ILE 34 1HG2 ILE 34 5.246 2.217 2.044 250 2HG2 ILE 34 2HG2 ILE 34 6.428 2.032 3.360 251 3HG2 ILE 34 3HG2 ILE 34 4.707 2.212 3.730 252 1HD1 ILE 34 1HD1 ILE 34 7.095 2.957 0.940 253 2HD1 ILE 34 2HD1 ILE 34 6.523 4.529 0.349 254 3HD1 ILE 34 3HD1 ILE 34 8.224 4.304 0.733 255 H ILE 35 H ILE 35 2.324 3.485 1.880 256 HA ILE 35 HA ILE 35 1.100 3.583 4.603 257 HB ILE 35 HB ILE 35 -1.039 3.739 3.630 258 1HG1 ILE 35 1HG1 ILE 35 0.333 3.872 0.921 259 2HG1 ILE 35 2HG1 ILE 35 -0.612 2.521 1.526 260 1HG2 ILE 35 1HG2 ILE 35 -1.011 6.055 2.968 261 2HG2 ILE 35 2HG2 ILE 35 0.293 5.822 4.133 262 3HG2 ILE 35 3HG2 ILE 35 0.667 5.942 2.400 263 1HD1 ILE 35 1HD1 ILE 35 -1.987 3.770 0.078 264 2HD1 ILE 35 2HD1 ILE 35 -2.603 3.977 1.734 265 3HD1 ILE 35 3HD1 ILE 35 -1.686 5.289 0.945 266 H SER 36 H SER 36 -0.467 1.818 4.950 267 HA SER 36 HA SER 36 0.382 -0.777 4.041 268 1HB SER 36 1HB SER 36 -2.064 0.227 5.568 269 2HB SER 36 2HB SER 36 -1.570 -1.462 5.384 270 HG SER 36 HG SER 36 -0.827 -0.549 7.349 271 H GLY 37 H GLY 37 -2.147 1.547 3.290 272 1HA GLY 37 1HA GLY 37 -4.058 0.007 2.007 273 2HA GLY 37 2HA GLY 37 -3.758 1.703 1.642 274 H SER 38 H SER 38 -4.333 -0.939 0.098 275 HA SER 38 HA SER 38 -2.285 -1.673 -1.588 276 1HB SER 38 1HB SER 38 -5.268 -1.475 -2.212 277 2HB SER 38 2HB SER 38 -4.076 -2.532 -2.993 278 HG SER 38 HG SER 38 -5.242 -3.607 -1.347 279 H THR 39 H THR 39 -4.670 0.963 -1.991 280 HA THR 39 HA THR 39 -2.982 2.135 -4.155 281 HB THR 39 HB THR 39 -5.134 1.544 -5.004 282 HG1 THR 39 HG1 THR 39 -5.691 3.635 -5.730 283 1HG2 THR 39 1HG2 THR 39 -7.214 2.634 -4.234 284 2HG2 THR 39 2HG2 THR 39 -6.532 1.644 -2.935 285 3HG2 THR 39 3HG2 THR 39 -6.340 3.412 -2.903 286 H CYS 40 H CYS 40 -2.757 4.328 -4.154 287 HA CYS 40 HA CYS 40 -2.420 5.566 -1.481 288 1HB CYS 40 1HB CYS 40 -1.299 6.038 -4.264 289 2HB CYS 40 2HB CYS 40 -0.936 7.083 -2.906 290 HA PRO 41 HA PRO 41 -5.535 8.632 -2.381 291 1HB PRO 41 1HB PRO 41 -4.475 11.006 -1.503 292 2HB PRO 41 2HB PRO 41 -4.989 9.703 -0.407 293 1HG PRO 41 1HG PRO 41 -2.187 10.173 -1.478 294 2HG PRO 41 2HG PRO 41 -2.684 10.022 0.236 295 1HD PRO 41 1HD PRO 41 -1.712 7.918 -1.088 296 2HD PRO 41 2HD PRO 41 -3.160 7.684 -0.077 297 H SER 42 H SER 42 -5.950 10.647 -3.579 298 HA SER 42 HA SER 42 -5.035 10.377 -6.239 299 1HB SER 42 1HB SER 42 -6.477 12.391 -6.617 300 2HB SER 42 2HB SER 42 -7.278 11.091 -5.716 301 HG SER 42 HG SER 42 -6.068 13.396 -4.580 302 H ASP 43 H ASP 43 -3.678 12.274 -3.614 303 HA ASP 43 HA ASP 43 -2.344 14.147 -5.428 304 1HB ASP 43 1HB ASP 43 -1.550 15.201 -3.406 305 2HB ASP 43 2HB ASP 43 -3.309 15.070 -3.458 306 H TYR 44 H TYR 44 -1.596 11.107 -3.747 307 HA TYR 44 HA TYR 44 1.163 11.290 -4.879 308 1HB TYR 44 1HB TYR 44 0.491 9.821 -2.339 309 2HB TYR 44 2HB TYR 44 2.067 10.268 -2.974 310 HD1 TYR 44 HD1 TYR 44 -0.172 10.965 -0.428 311 HD2 TYR 44 HD2 TYR 44 2.222 13.018 -3.365 312 HE1 TYR 44 HE1 TYR 44 -0.353 13.042 0.884 313 HE2 TYR 44 HE2 TYR 44 1.979 15.124 -2.086 314 HH TYR 44 HH TYR 44 0.033 15.327 0.901 315 HA PRO 45 HA PRO 45 -1.540 7.569 -5.960 316 1HB PRO 45 1HB PRO 45 -1.811 7.784 -8.665 317 2HB PRO 45 2HB PRO 45 -2.811 8.698 -7.500 318 1HG PRO 45 1HG PRO 45 -0.309 9.662 -8.911 319 2HG PRO 45 2HG PRO 45 -1.897 10.480 -8.828 320 1HD PRO 45 1HD PRO 45 0.094 11.134 -7.102 321 2HD PRO 45 2HD PRO 45 -1.603 10.999 -6.553 322 H LYS 46 H LYS 46 1.537 8.711 -7.345 323 HA LYS 46 HA LYS 46 1.983 6.214 -8.819 324 1HB LYS 46 1HB LYS 46 3.817 8.613 -8.456 325 2HB LYS 46 2HB LYS 46 3.990 7.307 -9.632 326 1HG LYS 46 1HG LYS 46 1.870 9.469 -9.574 327 2HG LYS 46 2HG LYS 46 3.163 9.226 -10.751 328 1HD LYS 46 1HD LYS 46 2.117 6.972 -11.321 329 2HD LYS 46 2HD LYS 46 0.704 7.475 -10.374 330 1HE LYS 46 1HE LYS 46 1.862 8.885 -12.824 331 2HE LYS 46 2HE LYS 46 0.372 7.931 -12.763 332 1HZ LYS 46 1HZ LYS 46 -0.519 9.540 -11.236 333 2HZ LYS 46 2HZ LYS 46 0.867 10.433 -11.308 334 3HZ LYS 46 3HZ LYS 46 -0.069 10.257 -12.651 Start of MODEL 4 1 1H LYS 1 1H LYS 1 0.714 -0.387 0.188 2 2H LYS 1 2H LYS 1 1.507 0.718 1.123 3 3H LYS 1 3H LYS 1 0.511 1.217 -0.083 4 HA LYS 1 HA LYS 1 2.956 -0.343 -0.456 5 1HB LYS 1 1HB LYS 1 2.732 0.089 -2.815 6 2HB LYS 1 2HB LYS 1 1.260 -0.678 -2.222 7 1HG LYS 1 1HG LYS 1 0.029 1.406 -2.311 8 2HG LYS 1 2HG LYS 1 1.497 2.341 -2.576 9 1HD LYS 1 1HD LYS 1 1.832 1.044 -4.762 10 2HD LYS 1 2HD LYS 1 0.225 0.357 -4.487 11 1HE LYS 1 1HE LYS 1 -0.154 2.197 -5.934 12 2HE LYS 1 2HE LYS 1 -0.615 2.789 -4.331 13 1HZ LYS 1 1HZ LYS 1 1.685 3.729 -4.238 14 2HZ LYS 1 2HZ LYS 1 1.848 3.371 -5.834 15 3HZ LYS 1 3HZ LYS 1 0.688 4.417 -5.354 16 H SER 2 H SER 2 4.473 1.036 -2.020 17 HA SER 2 HA SER 2 5.249 3.480 -0.673 18 1HB SER 2 1HB SER 2 6.118 2.241 -3.309 19 2HB SER 2 2HB SER 2 6.875 3.650 -2.536 20 HG SER 2 HG SER 2 6.644 1.063 -1.380 21 H CYS 3 H CYS 3 5.059 5.565 -1.467 22 HA CYS 3 HA CYS 3 2.668 6.013 -3.194 23 1HB CYS 3 1HB CYS 3 2.605 5.459 -0.543 24 2HB CYS 3 2HB CYS 3 2.965 7.157 -0.401 25 H CYS 4 H CYS 4 3.540 7.340 -4.738 26 HA CYS 4 HA CYS 4 5.437 9.465 -3.877 27 1HB CYS 4 1HB CYS 4 5.355 7.841 -6.429 28 2HB CYS 4 2HB CYS 4 6.378 9.233 -6.180 29 HA PRO 5 HA PRO 5 2.632 12.433 -5.413 30 1HB PRO 5 1HB PRO 5 4.305 14.526 -6.044 31 2HB PRO 5 2HB PRO 5 3.963 14.009 -4.376 32 1HG PRO 5 1HG PRO 5 6.343 13.240 -6.083 33 2HG PRO 5 2HG PRO 5 6.341 13.836 -4.397 34 1HD PRO 5 1HD PRO 5 6.503 11.212 -4.953 35 2HD PRO 5 2HD PRO 5 5.483 11.776 -3.597 36 H ASN 6 H ASN 6 5.362 11.622 -7.562 37 HA ASN 6 HA ASN 6 3.663 11.829 -9.917 38 1HB ASN 6 1HB ASN 6 5.190 13.440 -11.097 39 2HB ASN 6 2HB ASN 6 4.173 14.138 -9.841 40 1HD2 ASN 6 1HD2 ASN 6 6.788 15.071 -7.675 41 2HD2 ASN 6 2HD2 ASN 6 5.070 14.963 -7.980 42 H THR 7 H THR 7 4.928 11.350 -11.904 43 HA THR 7 HA THR 7 6.200 8.852 -11.649 44 HB THR 7 HB THR 7 6.275 10.788 -13.998 45 HG1 THR 7 HG1 THR 7 4.376 9.675 -14.585 46 1HG2 THR 7 1HG2 THR 7 7.803 8.854 -14.282 47 2HG2 THR 7 2HG2 THR 7 6.487 7.741 -13.849 48 3HG2 THR 7 3HG2 THR 7 6.393 8.699 -15.342 49 H THR 8 H THR 8 7.566 12.166 -12.041 50 HA THR 8 HA THR 8 10.239 11.312 -12.460 51 HB THR 8 HB THR 8 9.511 13.938 -11.162 52 HG1 THR 8 HG1 THR 8 9.101 14.650 -13.289 53 1HG2 THR 8 1HG2 THR 8 11.566 13.089 -13.261 54 2HG2 THR 8 2HG2 THR 8 11.379 14.719 -12.584 55 3HG2 THR 8 3HG2 THR 8 11.918 13.384 -11.545 56 H GLY 9 H GLY 9 8.388 12.008 -9.529 57 1HA GLY 9 1HA GLY 9 10.529 11.731 -7.633 58 2HA GLY 9 2HA GLY 9 8.792 11.623 -7.313 59 H ARG 10 H ARG 10 7.997 9.454 -8.877 60 HA ARG 10 HA ARG 10 8.793 7.118 -7.511 61 1HB ARG 10 1HB ARG 10 6.701 7.416 -8.755 62 2HB ARG 10 2HB ARG 10 7.583 7.585 -10.266 63 1HG ARG 10 1HG ARG 10 6.591 5.364 -10.039 64 2HG ARG 10 2HG ARG 10 8.347 5.321 -10.214 65 1HD ARG 10 1HD ARG 10 7.622 3.752 -8.536 66 2HD ARG 10 2HD ARG 10 8.584 4.997 -7.749 67 HE ARG 10 HE ARG 10 5.909 5.823 -7.544 68 1HH1 ARG 10 1HH1 ARG 10 4.566 5.306 -5.739 69 2HH1 ARG 10 2HH1 ARG 10 4.945 3.940 -4.733 70 1HH2 ARG 10 1HH2 ARG 10 7.898 3.083 -6.495 71 2HH2 ARG 10 2HH2 ARG 10 6.870 2.675 -5.151 72 H ASN 11 H ASN 11 10.120 8.666 -10.452 73 HA ASN 11 HA ASN 11 11.843 6.448 -11.109 74 1HB ASN 11 1HB ASN 11 12.169 9.393 -11.823 75 2HB ASN 11 2HB ASN 11 13.004 8.033 -12.563 76 1HD2 ASN 11 1HD2 ASN 11 9.965 9.249 -14.549 77 2HD2 ASN 11 2HD2 ASN 11 11.295 10.084 -13.784 78 H ILE 12 H ILE 12 12.384 9.543 -9.265 79 HA ILE 12 HA ILE 12 15.155 8.931 -8.931 80 HB ILE 12 HB ILE 12 13.773 11.196 -8.688 81 1HG1 ILE 12 1HG1 ILE 12 16.132 11.156 -8.939 82 2HG1 ILE 12 2HG1 ILE 12 15.751 12.168 -7.544 83 1HG2 ILE 12 1HG2 ILE 12 14.106 10.405 -5.767 84 2HG2 ILE 12 2HG2 ILE 12 13.665 11.994 -6.407 85 3HG2 ILE 12 3HG2 ILE 12 12.582 10.625 -6.649 86 1HD1 ILE 12 1HD1 ILE 12 16.310 10.125 -6.068 87 2HD1 ILE 12 2HD1 ILE 12 16.933 9.356 -7.542 88 3HD1 ILE 12 3HD1 ILE 12 17.664 10.844 -6.956 89 H TYR 13 H TYR 13 12.272 8.504 -6.854 90 HA TYR 13 HA TYR 13 13.386 7.400 -4.581 91 1HB TYR 13 1HB TYR 13 11.015 7.997 -4.871 92 2HB TYR 13 2HB TYR 13 10.821 6.779 -6.118 93 HD1 TYR 13 HD1 TYR 13 9.841 4.736 -5.516 94 HD2 TYR 13 HD2 TYR 13 11.810 7.126 -2.529 95 HE1 TYR 13 HE1 TYR 13 8.946 3.264 -3.756 96 HE2 TYR 13 HE2 TYR 13 10.921 5.650 -0.753 97 HH TYR 13 HH TYR 13 8.832 2.826 -1.466 98 H ASN 14 H ASN 14 12.436 5.860 -7.659 99 HA ASN 14 HA ASN 14 13.205 3.281 -6.852 100 1HB ASN 14 1HB ASN 14 12.641 4.613 -9.536 101 2HB ASN 14 2HB ASN 14 13.159 2.949 -9.484 102 1HD2 ASN 14 1HD2 ASN 14 9.355 3.294 -9.451 103 2HD2 ASN 14 2HD2 ASN 14 10.561 4.216 -10.319 104 H ALA 15 H ALA 15 14.989 5.856 -8.464 105 HA ALA 15 HA ALA 15 17.219 4.237 -9.306 106 1HB ALA 15 1HB ALA 15 18.379 6.379 -9.597 107 2HB ALA 15 2HB ALA 15 16.742 6.443 -10.281 108 3HB ALA 15 3HB ALA 15 17.086 7.223 -8.722 109 H CYS 16 H CYS 16 16.485 6.171 -6.413 110 HA CYS 16 HA CYS 16 18.913 5.869 -4.989 111 1HB CYS 16 1HB CYS 16 17.089 7.486 -4.475 112 2HB CYS 16 2HB CYS 16 16.047 6.170 -4.040 113 H ARG 17 H ARG 17 15.798 3.998 -4.757 114 HA ARG 17 HA ARG 17 16.691 2.054 -2.988 115 1HB ARG 17 1HB ARG 17 14.658 1.940 -5.247 116 2HB ARG 17 2HB ARG 17 14.777 0.704 -3.994 117 1HG ARG 17 1HG ARG 17 14.526 3.571 -3.050 118 2HG ARG 17 2HG ARG 17 13.117 2.841 -3.829 119 1HD ARG 17 1HD ARG 17 13.160 2.590 -1.359 120 2HD ARG 17 2HD ARG 17 13.039 1.076 -2.279 121 HE ARG 17 HE ARG 17 15.674 2.053 -1.273 122 1HH1 ARG 17 1HH1 ARG 17 16.842 0.645 0.045 123 2HH1 ARG 17 2HH1 ARG 17 16.044 -0.757 0.730 124 1HH2 ARG 17 1HH2 ARG 17 12.992 -0.287 -0.891 125 2HH2 ARG 17 2HH2 ARG 17 13.939 -1.348 0.115 126 H LEU 18 H LEU 18 16.819 1.950 -6.578 127 HA LEU 18 HA LEU 18 17.870 -0.668 -6.810 128 1HB LEU 18 1HB LEU 18 18.016 1.792 -8.586 129 2HB LEU 18 2HB LEU 18 18.672 0.233 -9.084 130 HG LEU 18 HG LEU 18 15.794 0.523 -8.194 131 1HD1 LEU 18 1HD1 LEU 18 15.184 0.683 -10.589 132 2HD1 LEU 18 2HD1 LEU 18 16.181 2.063 -10.103 133 3HD1 LEU 18 3HD1 LEU 18 16.905 0.732 -11.029 134 1HD2 LEU 18 1HD2 LEU 18 15.484 -1.522 -9.571 135 2HD2 LEU 18 2HD2 LEU 18 17.223 -1.548 -9.920 136 3HD2 LEU 18 3HD2 LEU 18 16.636 -1.799 -8.263 137 H THR 19 H THR 19 19.493 2.468 -6.369 138 HA THR 19 HA THR 19 22.160 1.220 -6.411 139 HB THR 19 HB THR 19 22.964 3.484 -5.821 140 HG1 THR 19 HG1 THR 19 20.227 4.192 -6.051 141 1HG2 THR 19 1HG2 THR 19 22.752 2.819 -8.169 142 2HG2 THR 19 2HG2 THR 19 21.068 3.377 -8.205 143 3HG2 THR 19 3HG2 THR 19 22.383 4.540 -7.953 144 H GLY 20 H GLY 20 20.134 0.225 -4.446 145 1HA GLY 20 1HA GLY 20 20.298 -0.809 -2.470 146 2HA GLY 20 2HA GLY 20 22.035 -0.495 -2.546 147 H ALA 21 H ALA 21 19.760 2.216 -2.438 148 HA ALA 21 HA ALA 21 20.820 2.930 0.237 149 1HB ALA 21 1HB ALA 21 19.847 5.158 -0.271 150 2HB ALA 21 2HB ALA 21 21.033 4.606 -1.475 151 3HB ALA 21 3HB ALA 21 19.302 4.508 -1.830 152 HA PRO 22 HA PRO 22 17.200 1.470 2.163 153 1HB PRO 22 1HB PRO 22 17.104 2.839 4.524 154 2HB PRO 22 2HB PRO 22 18.394 1.686 4.104 155 1HG PRO 22 1HG PRO 22 18.442 4.697 3.756 156 2HG PRO 22 2HG PRO 22 19.658 3.684 4.591 157 1HD PRO 22 1HD PRO 22 20.005 4.429 2.012 158 2HD PRO 22 2HD PRO 22 20.420 2.767 2.530 159 H ARG 23 H ARG 23 14.944 1.846 2.650 160 HA ARG 23 HA ARG 23 13.857 3.502 0.785 161 1HB ARG 23 1HB ARG 23 11.793 2.602 1.493 162 2HB ARG 23 2HB ARG 23 13.032 1.363 1.444 163 1HG ARG 23 1HG ARG 23 13.246 1.616 3.986 164 2HG ARG 23 2HG ARG 23 11.812 2.674 3.893 165 1HD ARG 23 1HD ARG 23 11.057 0.502 4.454 166 2HD ARG 23 2HD ARG 23 10.592 0.810 2.764 167 HE ARG 23 HE ARG 23 13.140 -0.529 2.938 168 1HH1 ARG 23 1HH1 ARG 23 13.309 -2.780 2.497 169 2HH1 ARG 23 2HH1 ARG 23 11.876 -3.773 2.450 170 1HH2 ARG 23 1HH2 ARG 23 9.658 -1.146 3.266 171 2HH2 ARG 23 2HH2 ARG 23 9.795 -2.847 2.904 172 HA PRO 24 HA PRO 24 12.147 6.514 4.101 173 1HB PRO 24 1HB PRO 24 13.741 7.228 6.216 174 2HB PRO 24 2HB PRO 24 12.518 5.928 6.285 175 1HG PRO 24 1HG PRO 24 15.489 5.626 5.753 176 2HG PRO 24 2HG PRO 24 14.490 4.738 6.939 177 1HD PRO 24 1HD PRO 24 15.021 3.651 4.573 178 2HD PRO 24 2HD PRO 24 13.377 3.541 5.248 179 H THR 25 H THR 25 15.737 6.336 3.742 180 HA THR 25 HA THR 25 16.175 9.107 3.420 181 HB THR 25 HB THR 25 17.747 6.768 2.245 182 HG1 THR 25 HG1 THR 25 18.911 7.000 4.211 183 1HG2 THR 25 1HG2 THR 25 18.467 8.944 1.312 184 2HG2 THR 25 2HG2 THR 25 18.587 9.617 2.953 185 3HG2 THR 25 3HG2 THR 25 19.679 8.314 2.438 186 H CYS 26 H CYS 26 15.497 6.532 1.041 187 HA CYS 26 HA CYS 26 15.644 8.221 -1.276 188 1HB CYS 26 1HB CYS 26 14.171 5.586 -0.884 189 2HB CYS 26 2HB CYS 26 14.556 6.349 -2.404 190 H ALA 27 H ALA 27 13.033 7.225 0.932 191 HA ALA 27 HA ALA 27 10.847 8.204 -0.559 192 1HB ALA 27 1HB ALA 27 9.614 8.161 1.540 193 2HB ALA 27 2HB ALA 27 10.587 6.698 1.372 194 3HB ALA 27 3HB ALA 27 11.116 7.998 2.462 195 H LYS 28 H LYS 28 13.097 9.872 1.687 196 HA LYS 28 HA LYS 28 11.533 12.392 1.385 197 1HB LYS 28 1HB LYS 28 13.946 11.808 3.079 198 2HB LYS 28 2HB LYS 28 12.957 13.278 3.105 199 1HG LYS 28 1HG LYS 28 12.002 10.465 3.826 200 2HG LYS 28 2HG LYS 28 12.436 11.762 4.933 201 1HD LYS 28 1HD LYS 28 10.172 11.831 4.997 202 2HD LYS 28 2HD LYS 28 10.511 13.125 3.843 203 1HE LYS 28 1HE LYS 28 9.655 11.804 2.015 204 2HE LYS 28 2HE LYS 28 9.896 10.285 2.896 205 1HZ LYS 28 1HZ LYS 28 7.651 10.920 2.704 206 2HZ LYS 28 2HZ LYS 28 8.088 10.917 4.298 207 3HZ LYS 28 3HZ LYS 28 7.907 12.349 3.492 208 H LEU 29 H LEU 29 14.498 10.985 0.110 209 HA LEU 29 HA LEU 29 15.476 13.370 -1.108 210 1HB LEU 29 1HB LEU 29 16.742 11.268 -1.020 211 2HB LEU 29 2HB LEU 29 15.525 10.469 -2.022 212 HG LEU 29 HG LEU 29 16.092 11.928 -3.932 213 1HD1 LEU 29 1HD1 LEU 29 18.217 13.065 -2.055 214 2HD1 LEU 29 2HD1 LEU 29 18.168 13.320 -3.812 215 3HD1 LEU 29 3HD1 LEU 29 16.874 13.964 -2.798 216 1HD2 LEU 29 1HD2 LEU 29 17.228 9.765 -3.610 217 2HD2 LEU 29 2HD2 LEU 29 18.307 10.947 -4.373 218 3HD2 LEU 29 3HD2 LEU 29 18.494 10.559 -2.650 219 H SER 30 H SER 30 12.974 10.974 -2.036 220 HA SER 30 HA SER 30 12.293 12.333 -4.515 221 1HB SER 30 1HB SER 30 10.692 10.504 -4.711 222 2HB SER 30 2HB SER 30 12.297 9.880 -4.272 223 HG SER 30 HG SER 30 11.585 9.760 -2.111 224 H GLY 31 H GLY 31 10.963 12.162 -1.185 225 1HA GLY 31 1HA GLY 31 9.269 13.443 -0.265 226 2HA GLY 31 2HA GLY 31 8.818 14.089 -1.845 227 H CYS 32 H CYS 32 9.310 10.613 -1.740 228 HA CYS 32 HA CYS 32 6.448 10.021 -1.920 229 1HB CYS 32 1HB CYS 32 8.804 8.147 -1.685 230 2HB CYS 32 2HB CYS 32 7.161 7.724 -2.132 231 H LYS 33 H LYS 33 5.748 8.086 -0.442 232 HA LYS 33 HA LYS 33 7.053 7.863 2.144 233 1HB LYS 33 1HB LYS 33 5.119 8.411 3.498 234 2HB LYS 33 2HB LYS 33 5.537 9.790 2.478 235 1HG LYS 33 1HG LYS 33 3.769 8.938 0.826 236 2HG LYS 33 2HG LYS 33 3.286 7.766 2.062 237 1HD LYS 33 1HD LYS 33 1.784 9.587 2.208 238 2HD LYS 33 2HD LYS 33 2.838 9.698 3.632 239 1HE LYS 33 1HE LYS 33 4.140 11.495 2.563 240 2HE LYS 33 2HE LYS 33 3.310 11.214 1.029 241 1HZ LYS 33 1HZ LYS 33 2.407 13.097 2.118 242 2HZ LYS 33 2HZ LYS 33 1.270 11.912 2.115 243 3HZ LYS 33 3HZ LYS 33 2.096 12.248 3.502 244 H ILE 34 H ILE 34 5.606 6.198 3.483 245 HA ILE 34 HA ILE 34 4.650 4.051 1.638 246 HB ILE 34 HB ILE 34 5.781 3.822 4.446 247 1HG1 ILE 34 1HG1 ILE 34 7.563 4.648 2.971 248 2HG1 ILE 34 2HG1 ILE 34 7.832 3.024 3.569 249 1HG2 ILE 34 1HG2 ILE 34 5.080 1.745 2.332 250 2HG2 ILE 34 2HG2 ILE 34 6.004 1.402 3.812 251 3HG2 ILE 34 3HG2 ILE 34 4.334 1.972 3.922 252 1HD1 ILE 34 1HD1 ILE 34 8.519 3.161 1.267 253 2HD1 ILE 34 2HD1 ILE 34 7.099 2.109 1.337 254 3HD1 ILE 34 3HD1 ILE 34 6.944 3.791 0.766 255 H ILE 35 H ILE 35 2.535 3.421 1.925 256 HA ILE 35 HA ILE 35 1.142 4.176 4.457 257 HB ILE 35 HB ILE 35 -0.874 4.399 3.249 258 1HG1 ILE 35 1HG1 ILE 35 0.621 4.215 0.608 259 2HG1 ILE 35 2HG1 ILE 35 -0.228 2.839 1.321 260 1HG2 ILE 35 1HG2 ILE 35 -0.464 6.569 2.219 261 2HG2 ILE 35 2HG2 ILE 35 0.603 6.379 3.614 262 3HG2 ILE 35 3HG2 ILE 35 1.248 6.177 1.973 263 1HD1 ILE 35 1HD1 ILE 35 -1.709 3.856 -0.213 264 2HD1 ILE 35 2HD1 ILE 35 -2.325 4.145 1.425 265 3HD1 ILE 35 3HD1 ILE 35 -1.520 5.458 0.536 266 H SER 36 H SER 36 -0.560 2.712 5.091 267 HA SER 36 HA SER 36 0.011 -0.068 4.771 268 1HB SER 36 1HB SER 36 -2.400 1.429 5.899 269 2HB SER 36 2HB SER 36 -1.998 -0.274 6.166 270 HG SER 36 HG SER 36 -0.043 0.443 7.144 271 H GLY 37 H GLY 37 -2.176 2.244 3.284 272 1HA GLY 37 1HA GLY 37 -4.159 0.559 2.243 273 2HA GLY 37 2HA GLY 37 -3.707 2.121 1.564 274 H SER 38 H SER 38 -4.400 -0.667 0.460 275 HA SER 38 HA SER 38 -2.244 -1.804 -0.936 276 1HB SER 38 1HB SER 38 -4.121 -2.658 -2.386 277 2HB SER 38 2HB SER 38 -4.343 -2.950 -0.652 278 HG SER 38 HG SER 38 -6.231 -2.121 -1.652 279 H THR 39 H THR 39 -4.612 0.704 -1.872 280 HA THR 39 HA THR 39 -2.745 1.661 -3.995 281 HB THR 39 HB THR 39 -4.819 0.921 -4.941 282 HG1 THR 39 HG1 THR 39 -5.319 2.894 -5.971 283 1HG2 THR 39 1HG2 THR 39 -6.959 2.070 -4.489 284 2HG2 THR 39 2HG2 THR 39 -6.382 1.261 -3.024 285 3HG2 THR 39 3HG2 THR 39 -6.202 3.021 -3.199 286 H CYS 40 H CYS 40 -2.650 3.889 -4.273 287 HA CYS 40 HA CYS 40 -2.632 5.463 -1.752 288 1HB CYS 40 1HB CYS 40 -1.064 5.521 -4.341 289 2HB CYS 40 2HB CYS 40 -1.127 6.897 -3.250 290 HA PRO 41 HA PRO 41 -5.812 8.060 -3.449 291 1HB PRO 41 1HB PRO 41 -5.391 10.464 -2.298 292 2HB PRO 41 2HB PRO 41 -5.742 9.032 -1.308 293 1HG PRO 41 1HG PRO 41 -2.983 10.107 -1.997 294 2HG PRO 41 2HG PRO 41 -3.641 9.816 -0.362 295 1HD PRO 41 1HD PRO 41 -2.143 7.948 -1.592 296 2HD PRO 41 2HD PRO 41 -3.601 7.445 -0.694 297 H SER 42 H SER 42 -6.140 10.236 -4.575 298 HA SER 42 HA SER 42 -4.746 10.354 -6.985 299 1HB SER 42 1HB SER 42 -6.351 12.556 -5.621 300 2HB SER 42 2HB SER 42 -6.005 12.422 -7.358 301 HG SER 42 HG SER 42 -7.136 10.409 -7.309 302 H ASP 43 H ASP 43 -4.023 12.011 -3.920 303 HA ASP 43 HA ASP 43 -2.179 13.899 -5.139 304 1HB ASP 43 1HB ASP 43 -1.748 14.557 -2.792 305 2HB ASP 43 2HB ASP 43 -3.432 14.672 -3.304 306 H TYR 44 H TYR 44 -1.872 10.575 -4.220 307 HA TYR 44 HA TYR 44 1.010 10.853 -4.865 308 1HB TYR 44 1HB TYR 44 -0.128 9.062 -2.710 309 2HB TYR 44 2HB TYR 44 1.484 8.942 -3.390 310 HD1 TYR 44 HD1 TYR 44 -0.675 10.846 -1.109 311 HD2 TYR 44 HD2 TYR 44 3.192 10.699 -2.985 312 HE1 TYR 44 HE1 TYR 44 0.061 12.794 0.238 313 HE2 TYR 44 HE2 TYR 44 3.901 12.693 -1.713 314 HH TYR 44 HH TYR 44 3.264 14.325 -0.213 315 HA PRO 45 HA PRO 45 -1.788 8.243 -7.452 316 1HB PRO 45 1HB PRO 45 -1.263 9.203 -9.943 317 2HB PRO 45 2HB PRO 45 -2.231 10.110 -8.747 318 1HG PRO 45 1HG PRO 45 0.727 10.431 -9.333 319 2HG PRO 45 2HG PRO 45 -0.520 11.712 -9.280 320 1HD PRO 45 1HD PRO 45 1.072 11.109 -7.137 321 2HD PRO 45 2HD PRO 45 -0.616 11.627 -6.920 322 H LYS 46 H LYS 46 1.631 8.228 -7.164 323 HA LYS 46 HA LYS 46 1.886 5.929 -9.064 324 1HB LYS 46 1HB LYS 46 3.907 7.986 -8.120 325 2HB LYS 46 2HB LYS 46 4.322 6.565 -9.071 326 1HG LYS 46 1HG LYS 46 2.535 8.895 -9.889 327 2HG LYS 46 2HG LYS 46 4.168 8.566 -10.449 328 1HD LYS 46 1HD LYS 46 1.678 6.930 -11.114 329 2HD LYS 46 2HD LYS 46 2.575 8.030 -12.150 330 1HE LYS 46 1HE LYS 46 3.358 5.988 -12.872 331 2HE LYS 46 2HE LYS 46 4.635 6.494 -11.758 332 1HZ LYS 46 1HZ LYS 46 2.426 4.631 -11.176 333 2HZ LYS 46 2HZ LYS 46 3.990 4.208 -11.465 334 3HZ LYS 46 3HZ LYS 46 3.601 5.050 -10.106 Start of MODEL 5 1 1H LYS 1 1H LYS 1 -0.690 0.384 -0.661 2 2H LYS 1 2H LYS 1 0.330 1.239 0.308 3 3H LYS 1 3H LYS 1 -0.377 1.975 -0.979 4 HA LYS 1 HA LYS 1 1.570 -0.206 -1.058 5 1HB LYS 1 1HB LYS 1 1.577 0.025 -3.479 6 2HB LYS 1 2HB LYS 1 -0.051 -0.327 -2.903 7 1HG LYS 1 1HG LYS 1 -0.678 2.058 -3.117 8 2HG LYS 1 2HG LYS 1 0.983 2.433 -3.604 9 1HD LYS 1 1HD LYS 1 0.689 0.937 -5.607 10 2HD LYS 1 2HD LYS 1 -1.009 0.747 -5.136 11 1HE LYS 1 1HE LYS 1 -0.923 2.488 -6.798 12 2HE LYS 1 2HE LYS 1 -1.250 3.273 -5.247 13 1HZ LYS 1 1HZ LYS 1 1.341 3.122 -6.631 14 2HZ LYS 1 2HZ LYS 1 0.391 4.456 -6.478 15 3HZ LYS 1 3HZ LYS 1 1.133 3.810 -5.156 16 H SER 2 H SER 2 3.252 1.059 -2.998 17 HA SER 2 HA SER 2 4.525 3.120 -1.382 18 1HB SER 2 1HB SER 2 5.274 2.063 -4.137 19 2HB SER 2 2HB SER 2 6.297 3.020 -3.041 20 HG SER 2 HG SER 2 6.724 0.766 -2.927 21 H CYS 3 H CYS 3 4.723 5.288 -1.939 22 HA CYS 3 HA CYS 3 2.523 6.304 -3.684 23 1HB CYS 3 1HB CYS 3 3.242 6.815 -0.758 24 2HB CYS 3 2HB CYS 3 2.030 7.710 -1.651 25 H CYS 4 H CYS 4 3.567 7.477 -5.204 26 HA CYS 4 HA CYS 4 5.503 9.548 -4.271 27 1HB CYS 4 1HB CYS 4 5.398 8.014 -6.886 28 2HB CYS 4 2HB CYS 4 6.361 9.465 -6.642 29 HA PRO 5 HA PRO 5 2.625 12.548 -5.844 30 1HB PRO 5 1HB PRO 5 4.302 14.577 -6.616 31 2HB PRO 5 2HB PRO 5 3.952 14.179 -4.923 32 1HG PRO 5 1HG PRO 5 6.348 13.283 -6.535 33 2HG PRO 5 2HG PRO 5 6.323 13.996 -4.897 34 1HD PRO 5 1HD PRO 5 6.490 11.339 -5.274 35 2HD PRO 5 2HD PRO 5 5.466 11.985 -3.960 36 H ASN 6 H ASN 6 5.444 11.730 -7.913 37 HA ASN 6 HA ASN 6 3.750 11.661 -10.304 38 1HB ASN 6 1HB ASN 6 5.236 13.254 -11.532 39 2HB ASN 6 2HB ASN 6 4.208 13.988 -10.303 40 1HD2 ASN 6 1HD2 ASN 6 6.818 15.079 -8.213 41 2HD2 ASN 6 2HD2 ASN 6 5.103 14.973 -8.533 42 H THR 7 H THR 7 5.111 11.144 -12.236 43 HA THR 7 HA THR 7 6.405 8.672 -11.777 44 HB THR 7 HB THR 7 6.412 10.413 -14.277 45 HG1 THR 7 HG1 THR 7 4.324 9.942 -13.577 46 1HG2 THR 7 1HG2 THR 7 8.065 8.582 -14.432 47 2HG2 THR 7 2HG2 THR 7 6.844 7.413 -13.881 48 3HG2 THR 7 3HG2 THR 7 6.659 8.229 -15.448 49 H THR 8 H THR 8 7.700 11.981 -12.336 50 HA THR 8 HA THR 8 10.401 11.188 -12.696 51 HB THR 8 HB THR 8 9.592 13.823 -11.467 52 HG1 THR 8 HG1 THR 8 9.190 14.479 -13.614 53 1HG2 THR 8 1HG2 THR 8 11.692 12.983 -13.522 54 2HG2 THR 8 2HG2 THR 8 11.454 14.621 -12.882 55 3HG2 THR 8 3HG2 THR 8 12.014 13.322 -11.808 56 H GLY 9 H GLY 9 8.473 11.874 -9.815 57 1HA GLY 9 1HA GLY 9 10.580 11.686 -7.869 58 2HA GLY 9 2HA GLY 9 8.842 11.522 -7.587 59 H ARG 10 H ARG 10 8.173 9.308 -9.174 60 HA ARG 10 HA ARG 10 9.032 7.034 -7.721 61 1HB ARG 10 1HB ARG 10 6.938 7.203 -9.013 62 2HB ARG 10 2HB ARG 10 7.849 7.347 -10.513 63 1HG ARG 10 1HG ARG 10 6.943 5.100 -10.224 64 2HG ARG 10 2HG ARG 10 8.703 5.116 -10.339 65 1HD ARG 10 1HD ARG 10 7.985 3.588 -8.594 66 2HD ARG 10 2HD ARG 10 8.858 4.922 -7.855 67 HE ARG 10 HE ARG 10 5.961 5.326 -7.963 68 1HH1 ARG 10 1HH1 ARG 10 4.780 5.275 -6.013 69 2HH1 ARG 10 2HH1 ARG 10 5.503 4.598 -4.578 70 1HH2 ARG 10 1HH2 ARG 10 8.511 3.643 -6.162 71 2HH2 ARG 10 2HH2 ARG 10 7.617 3.629 -4.666 72 H ASN 11 H ASN 11 10.344 8.571 -10.651 73 HA ASN 11 HA ASN 11 12.166 6.417 -11.245 74 1HB ASN 11 1HB ASN 11 12.386 9.361 -11.993 75 2HB ASN 11 2HB ASN 11 13.284 8.025 -12.704 76 1HD2 ASN 11 1HD2 ASN 11 10.226 9.082 -14.751 77 2HD2 ASN 11 2HD2 ASN 11 11.515 9.982 -13.990 78 H ILE 12 H ILE 12 12.550 9.553 -9.434 79 HA ILE 12 HA ILE 12 15.331 9.052 -9.028 80 HB ILE 12 HB ILE 12 13.865 11.265 -8.874 81 1HG1 ILE 12 1HG1 ILE 12 16.230 11.310 -9.057 82 2HG1 ILE 12 2HG1 ILE 12 15.772 12.339 -7.699 83 1HG2 ILE 12 1HG2 ILE 12 14.147 10.568 -5.929 84 2HG2 ILE 12 2HG2 ILE 12 13.651 12.116 -6.626 85 3HG2 ILE 12 3HG2 ILE 12 12.639 10.692 -6.857 86 1HD1 ILE 12 1HD1 ILE 12 16.363 10.352 -6.158 87 2HD1 ILE 12 2HD1 ILE 12 17.056 9.575 -7.596 88 3HD1 ILE 12 3HD1 ILE 12 17.714 11.102 -7.024 89 H TYR 13 H TYR 13 12.432 8.598 -6.949 90 HA TYR 13 HA TYR 13 13.540 7.517 -4.675 91 1HB TYR 13 1HB TYR 13 11.159 8.031 -5.013 92 2HB TYR 13 2HB TYR 13 11.024 6.787 -6.245 93 HD1 TYR 13 HD1 TYR 13 10.618 4.491 -5.661 94 HD2 TYR 13 HD2 TYR 13 11.525 7.407 -2.640 95 HE1 TYR 13 HE1 TYR 13 9.815 2.933 -3.920 96 HE2 TYR 13 HE2 TYR 13 10.703 5.868 -0.888 97 HH TYR 13 HH TYR 13 9.991 3.723 -0.420 98 H ASN 14 H ASN 14 12.710 5.929 -7.773 99 HA ASN 14 HA ASN 14 13.531 3.384 -6.906 100 1HB ASN 14 1HB ASN 14 12.964 4.640 -9.621 101 2HB ASN 14 2HB ASN 14 13.556 3.003 -9.529 102 1HD2 ASN 14 1HD2 ASN 14 9.738 3.168 -9.547 103 2HD2 ASN 14 2HD2 ASN 14 10.913 4.118 -10.429 104 H ALA 15 H ALA 15 15.279 5.990 -8.496 105 HA ALA 15 HA ALA 15 17.584 4.444 -9.260 106 1HB ALA 15 1HB ALA 15 17.092 6.660 -10.213 107 2HB ALA 15 2HB ALA 15 17.375 7.415 -8.631 108 3HB ALA 15 3HB ALA 15 18.707 6.606 -9.478 109 H CYS 16 H CYS 16 16.715 6.345 -6.381 110 HA CYS 16 HA CYS 16 19.078 6.033 -4.855 111 1HB CYS 16 1HB CYS 16 17.249 7.640 -4.381 112 2HB CYS 16 2HB CYS 16 16.173 6.329 -4.037 113 H ARG 17 H ARG 17 15.982 4.138 -4.793 114 HA ARG 17 HA ARG 17 16.770 2.194 -2.978 115 1HB ARG 17 1HB ARG 17 14.884 2.070 -5.358 116 2HB ARG 17 2HB ARG 17 14.932 0.834 -4.103 117 1HG ARG 17 1HG ARG 17 14.627 3.685 -3.149 118 2HG ARG 17 2HG ARG 17 13.268 2.992 -4.041 119 1HD ARG 17 1HD ARG 17 13.204 2.731 -1.539 120 2HD ARG 17 2HD ARG 17 12.982 1.267 -2.513 121 HE ARG 17 HE ARG 17 15.623 2.036 -1.321 122 1HH1 ARG 17 1HH1 ARG 17 16.670 0.492 -0.081 123 2HH1 ARG 17 2HH1 ARG 17 15.808 -0.954 0.409 124 1HH2 ARG 17 1HH2 ARG 17 12.909 -0.306 -1.411 125 2HH2 ARG 17 2HH2 ARG 17 13.763 -1.457 -0.420 126 H LEU 18 H LEU 18 17.170 2.141 -6.548 127 HA LEU 18 HA LEU 18 18.267 -0.470 -6.726 128 1HB LEU 18 1HB LEU 18 18.507 2.008 -8.465 129 2HB LEU 18 2HB LEU 18 19.229 0.465 -8.921 130 HG LEU 18 HG LEU 18 16.289 0.691 -8.246 131 1HD1 LEU 18 1HD1 LEU 18 16.772 2.263 -10.101 132 2HD1 LEU 18 2HD1 LEU 18 17.598 0.966 -10.989 133 3HD1 LEU 18 3HD1 LEU 18 15.851 0.867 -10.679 134 1HD2 LEU 18 1HD2 LEU 18 16.121 -1.341 -9.666 135 2HD2 LEU 18 2HD2 LEU 18 17.880 -1.327 -9.891 136 3HD2 LEU 18 3HD2 LEU 18 17.184 -1.613 -8.283 137 H THR 19 H THR 19 19.793 2.686 -6.088 138 HA THR 19 HA THR 19 22.472 1.475 -5.912 139 HB THR 19 HB THR 19 23.152 3.748 -5.153 140 HG1 THR 19 HG1 THR 19 20.885 4.193 -4.391 141 1HG2 THR 19 1HG2 THR 19 22.811 4.836 -7.318 142 2HG2 THR 19 2HG2 THR 19 23.230 3.126 -7.533 143 3HG2 THR 19 3HG2 THR 19 21.550 3.663 -7.744 144 H GLY 20 H GLY 20 20.301 0.373 -4.184 145 1HA GLY 20 1HA GLY 20 20.309 -0.730 -2.240 146 2HA GLY 20 2HA GLY 20 22.034 -0.363 -2.136 147 H ALA 21 H ALA 21 19.696 2.291 -2.142 148 HA ALA 21 HA ALA 21 20.431 2.889 0.672 149 1HB ALA 21 1HB ALA 21 19.467 5.133 0.133 150 2HB ALA 21 2HB ALA 21 20.850 4.658 -0.877 151 3HB ALA 21 3HB ALA 21 19.209 4.545 -1.524 152 HA PRO 22 HA PRO 22 16.568 1.342 2.008 153 1HB PRO 22 1HB PRO 22 16.259 2.403 4.471 154 2HB PRO 22 2HB PRO 22 17.650 1.373 4.056 155 1HG PRO 22 1HG PRO 22 17.574 4.407 3.999 156 2HG PRO 22 2HG PRO 22 18.735 3.368 4.882 157 1HD PRO 22 1HD PRO 22 19.329 4.334 2.417 158 2HD PRO 22 2HD PRO 22 19.764 2.656 2.863 159 H ARG 23 H ARG 23 14.287 1.819 2.534 160 HA ARG 23 HA ARG 23 13.194 3.589 0.749 161 1HB ARG 23 1HB ARG 23 11.891 2.337 3.198 162 2HB ARG 23 2HB ARG 23 11.063 3.179 1.886 163 1HG ARG 23 1HG ARG 23 12.006 1.543 0.262 164 2HG ARG 23 2HG ARG 23 12.742 0.639 1.612 165 1HD ARG 23 1HD ARG 23 10.523 0.260 2.600 166 2HD ARG 23 2HD ARG 23 9.818 1.348 1.392 167 HE ARG 23 HE ARG 23 11.227 -0.940 0.254 168 1HH1 ARG 23 1HH1 ARG 23 9.997 -2.481 -0.919 169 2HH1 ARG 23 2HH1 ARG 23 8.261 -2.522 -0.760 170 1HH2 ARG 23 1HH2 ARG 23 8.091 0.161 1.528 171 2HH2 ARG 23 2HH2 ARG 23 7.175 -1.011 0.620 172 HA PRO 24 HA PRO 24 12.010 6.620 4.333 173 1HB PRO 24 1HB PRO 24 14.523 6.448 5.997 174 2HB PRO 24 2HB PRO 24 12.856 6.825 6.518 175 1HG PRO 24 1HG PRO 24 13.857 4.351 6.941 176 2HG PRO 24 2HG PRO 24 12.206 4.515 6.266 177 1HD PRO 24 1HD PRO 24 14.791 4.067 4.755 178 2HD PRO 24 2HD PRO 24 13.279 3.123 4.654 179 H THR 25 H THR 25 15.508 6.264 3.590 180 HA THR 25 HA THR 25 16.058 9.054 3.391 181 HB THR 25 HB THR 25 17.516 6.675 2.142 182 HG1 THR 25 HG1 THR 25 18.724 6.801 4.081 183 1HG2 THR 25 1HG2 THR 25 18.310 8.840 1.239 184 2HG2 THR 25 2HG2 THR 25 18.491 9.471 2.891 185 3HG2 THR 25 3HG2 THR 25 19.516 8.135 2.327 186 H CYS 26 H CYS 26 15.346 6.550 0.955 187 HA CYS 26 HA CYS 26 15.603 8.282 -1.319 188 1HB CYS 26 1HB CYS 26 14.118 5.638 -1.007 189 2HB CYS 26 2HB CYS 26 14.558 6.393 -2.513 190 H ALA 27 H ALA 27 12.946 7.298 0.763 191 HA ALA 27 HA ALA 27 10.732 8.295 -0.677 192 1HB ALA 27 1HB ALA 27 11.184 8.102 2.325 193 2HB ALA 27 2HB ALA 27 9.634 8.404 1.534 194 3HB ALA 27 3HB ALA 27 10.451 6.868 1.277 195 H LYS 28 H LYS 28 12.980 9.919 1.640 196 HA LYS 28 HA LYS 28 11.488 12.463 1.202 197 1HB LYS 28 1HB LYS 28 13.646 11.718 3.172 198 2HB LYS 28 2HB LYS 28 12.840 13.293 3.077 199 1HG LYS 28 1HG LYS 28 11.448 10.621 3.605 200 2HG LYS 28 2HG LYS 28 11.873 11.848 4.800 201 1HD LYS 28 1HD LYS 28 9.741 12.537 4.531 202 2HD LYS 28 2HD LYS 28 10.419 13.423 3.171 203 1HE LYS 28 1HE LYS 28 8.413 12.348 2.383 204 2HE LYS 28 2HE LYS 28 9.718 11.426 1.689 205 1HZ LYS 28 1HZ LYS 28 9.476 9.835 3.463 206 2HZ LYS 28 2HZ LYS 28 8.177 10.668 4.049 207 3HZ LYS 28 3HZ LYS 28 8.126 9.999 2.535 208 H LEU 29 H LEU 29 14.387 10.999 -0.016 209 HA LEU 29 HA LEU 29 15.482 13.436 -1.083 210 1HB LEU 29 1HB LEU 29 16.716 11.312 -1.052 211 2HB LEU 29 2HB LEU 29 15.503 10.569 -2.101 212 HG LEU 29 HG LEU 29 16.113 12.099 -3.944 213 1HD1 LEU 29 1HD1 LEU 29 18.228 13.130 -1.994 214 2HD1 LEU 29 2HD1 LEU 29 18.209 13.454 -3.740 215 3HD1 LEU 29 3HD1 LEU 29 16.909 14.077 -2.722 216 1HD2 LEU 29 1HD2 LEU 29 18.321 11.107 -4.399 217 2HD2 LEU 29 2HD2 LEU 29 18.479 10.644 -2.691 218 3HD2 LEU 29 3HD2 LEU 29 17.214 9.912 -3.699 219 H SER 30 H SER 30 12.997 11.080 -2.144 220 HA SER 30 HA SER 30 12.445 12.470 -4.624 221 1HB SER 30 1HB SER 30 10.943 10.604 -4.990 222 2HB SER 30 2HB SER 30 12.492 10.005 -4.361 223 HG SER 30 HG SER 30 11.433 10.072 -2.237 224 H GLY 31 H GLY 31 10.904 12.330 -1.405 225 1HA GLY 31 1HA GLY 31 9.112 13.619 -0.643 226 2HA GLY 31 2HA GLY 31 8.652 14.053 -2.291 227 H CYS 32 H CYS 32 9.362 10.693 -2.170 228 HA CYS 32 HA CYS 32 6.562 9.926 -2.300 229 1HB CYS 32 1HB CYS 32 9.026 8.203 -2.278 230 2HB CYS 32 2HB CYS 32 7.400 7.711 -2.716 231 H LYS 33 H LYS 33 6.086 7.744 -1.004 232 HA LYS 33 HA LYS 33 7.161 7.368 1.610 233 1HB LYS 33 1HB LYS 33 5.150 8.076 2.888 234 2HB LYS 33 2HB LYS 33 6.024 9.408 2.170 235 1HG LYS 33 1HG LYS 33 4.286 9.155 0.175 236 2HG LYS 33 2HG LYS 33 3.379 8.196 1.345 237 1HD LYS 33 1HD LYS 33 2.532 10.393 1.587 238 2HD LYS 33 2HD LYS 33 3.664 10.234 2.940 239 1HE LYS 33 1HE LYS 33 5.428 11.378 1.461 240 2HE LYS 33 2HE LYS 33 4.170 11.598 0.244 241 1HZ LYS 33 1HZ LYS 33 4.460 13.526 1.599 242 2HZ LYS 33 2HZ LYS 33 2.961 12.908 1.854 243 3HZ LYS 33 3HZ LYS 33 4.143 12.682 2.979 244 H ILE 34 H ILE 34 5.268 5.948 2.808 245 HA ILE 34 HA ILE 34 4.071 4.080 0.809 246 HB ILE 34 HB ILE 34 5.454 3.407 3.427 247 1HG1 ILE 34 1HG1 ILE 34 7.128 4.250 1.753 248 2HG1 ILE 34 2HG1 ILE 34 7.340 2.642 2.390 249 1HG2 ILE 34 1HG2 ILE 34 4.330 1.632 1.232 250 2HG2 ILE 34 2HG2 ILE 34 5.388 1.059 2.542 251 3HG2 ILE 34 3HG2 ILE 34 3.805 1.750 2.919 252 1HD1 ILE 34 1HD1 ILE 34 6.419 3.407 -0.384 253 2HD1 ILE 34 2HD1 ILE 34 7.896 2.572 0.087 254 3HD1 ILE 34 3HD1 ILE 34 6.354 1.728 0.216 255 H ILE 35 H ILE 35 1.925 3.465 1.360 256 HA ILE 35 HA ILE 35 1.196 3.713 4.215 257 HB ILE 35 HB ILE 35 -0.981 4.281 3.822 258 1HG1 ILE 35 1HG1 ILE 35 -0.657 4.836 0.882 259 2HG1 ILE 35 2HG1 ILE 35 -1.171 3.238 1.439 260 1HG2 ILE 35 1HG2 ILE 35 0.689 6.096 4.062 261 2HG2 ILE 35 2HG2 ILE 35 0.744 6.272 2.296 262 3HG2 ILE 35 3HG2 ILE 35 -0.743 6.634 3.186 263 1HD1 ILE 35 1HD1 ILE 35 -3.121 4.698 0.971 264 2HD1 ILE 35 2HD1 ILE 35 -3.052 4.181 2.662 265 3HD1 ILE 35 3HD1 ILE 35 -2.575 5.829 2.207 266 H SER 36 H SER 36 -0.417 2.223 4.908 267 HA SER 36 HA SER 36 0.205 -0.435 3.993 268 1HB SER 36 1HB SER 36 -0.167 0.296 6.375 269 2HB SER 36 2HB SER 36 -1.895 0.456 6.011 270 HG SER 36 HG SER 36 -1.765 -1.791 5.307 271 H GLY 37 H GLY 37 -2.179 1.831 3.068 272 1HA GLY 37 1HA GLY 37 -4.464 0.269 2.508 273 2HA GLY 37 2HA GLY 37 -3.983 1.750 1.671 274 H SER 38 H SER 38 -5.314 -0.352 0.361 275 HA SER 38 HA SER 38 -3.587 -1.984 -1.234 276 1HB SER 38 1HB SER 38 -5.642 -1.974 -2.707 277 2HB SER 38 2HB SER 38 -5.931 -2.488 -1.036 278 HG SER 38 HG SER 38 -7.486 -0.973 -1.775 279 H THR 39 H THR 39 -4.994 1.257 -1.519 280 HA THR 39 HA THR 39 -3.165 1.956 -3.787 281 HB THR 39 HB THR 39 -5.513 2.061 -4.405 282 HG1 THR 39 HG1 THR 39 -4.745 4.732 -4.062 283 1HG2 THR 39 1HG2 THR 39 -5.861 4.055 -2.117 284 2HG2 THR 39 2HG2 THR 39 -7.052 3.705 -3.382 285 3HG2 THR 39 3HG2 THR 39 -6.606 2.445 -2.225 286 H CYS 40 H CYS 40 -2.854 4.400 -3.736 287 HA CYS 40 HA CYS 40 -1.989 5.411 -1.081 288 1HB CYS 40 1HB CYS 40 -1.365 6.099 -3.979 289 2HB CYS 40 2HB CYS 40 -0.799 7.065 -2.631 290 HA PRO 41 HA PRO 41 -5.233 8.573 -1.507 291 1HB PRO 41 1HB PRO 41 -3.978 10.911 -0.828 292 2HB PRO 41 2HB PRO 41 -4.364 9.652 0.371 293 1HG PRO 41 1HG PRO 41 -1.747 9.972 -1.144 294 2HG PRO 41 2HG PRO 41 -1.967 9.933 0.631 295 1HD PRO 41 1HD PRO 41 -1.307 7.697 -0.658 296 2HD PRO 41 2HD PRO 41 -2.633 7.608 0.523 297 H SER 42 H SER 42 -5.714 10.524 -2.740 298 HA SER 42 HA SER 42 -5.088 10.219 -5.451 299 1HB SER 42 1HB SER 42 -6.284 12.640 -4.044 300 2HB SER 42 2HB SER 42 -6.446 12.227 -5.764 301 HG SER 42 HG SER 42 -8.241 11.532 -4.522 302 H ASP 43 H ASP 43 -3.405 12.148 -3.006 303 HA ASP 43 HA ASP 43 -2.186 13.908 -4.986 304 1HB ASP 43 1HB ASP 43 -1.265 15.066 -3.154 305 2HB ASP 43 2HB ASP 43 -2.974 14.770 -2.831 306 H TYR 44 H TYR 44 -1.383 10.802 -3.559 307 HA TYR 44 HA TYR 44 1.301 11.026 -4.849 308 1HB TYR 44 1HB TYR 44 0.678 9.426 -2.378 309 2HB TYR 44 2HB TYR 44 2.244 9.669 -3.145 310 HD1 TYR 44 HD1 TYR 44 0.431 10.565 -0.347 311 HD2 TYR 44 HD2 TYR 44 2.820 12.350 -3.458 312 HE1 TYR 44 HE1 TYR 44 0.761 12.568 1.057 313 HE2 TYR 44 HE2 TYR 44 3.144 14.361 -2.057 314 HH TYR 44 HH TYR 44 2.589 15.423 -0.078 315 HA PRO 45 HA PRO 45 -1.527 7.574 -6.289 316 1HB PRO 45 1HB PRO 45 -1.698 8.090 -8.962 317 2HB PRO 45 2HB PRO 45 -2.660 8.973 -7.742 318 1HG PRO 45 1HG PRO 45 -0.037 9.852 -8.989 319 2HG PRO 45 2HG PRO 45 -1.556 10.786 -8.867 320 1HD PRO 45 1HD PRO 45 0.439 11.083 -7.044 321 2HD PRO 45 2HD PRO 45 -1.276 11.099 -6.548 322 H LYS 46 H LYS 46 1.619 8.687 -7.522 323 HA LYS 46 HA LYS 46 1.971 6.341 -9.215 324 1HB LYS 46 1HB LYS 46 3.577 8.836 -8.616 325 2HB LYS 46 2HB LYS 46 4.333 7.519 -9.481 326 1HG LYS 46 1HG LYS 46 1.806 8.977 -10.340 327 2HG LYS 46 2HG LYS 46 3.425 9.209 -10.991 328 1HD LYS 46 1HD LYS 46 1.632 6.778 -11.364 329 2HD LYS 46 2HD LYS 46 2.227 7.928 -12.547 330 1HE LYS 46 1HE LYS 46 3.586 6.117 -12.958 331 2HE LYS 46 2HE LYS 46 4.619 7.099 -11.915 332 1HZ LYS 46 1HZ LYS 46 2.983 4.788 -11.098 333 2HZ LYS 46 2HZ LYS 46 4.613 4.784 -11.319 334 3HZ LYS 46 3HZ LYS 46 3.954 5.639 -10.080 Start of MODEL 6 1 1H LYS 1 1H LYS 1 0.594 1.258 -0.095 2 2H LYS 1 2H LYS 1 0.699 -0.366 -0.300 3 3H LYS 1 3H LYS 1 1.627 0.394 0.840 4 HA LYS 1 HA LYS 1 2.854 -0.255 -1.183 5 1HB LYS 1 1HB LYS 1 1.193 2.030 -2.306 6 2HB LYS 1 2HB LYS 1 2.547 1.237 -3.141 7 1HG LYS 1 1HG LYS 1 1.250 -0.901 -3.111 8 2HG LYS 1 2HG LYS 1 -0.144 0.021 -2.522 9 1HD LYS 1 1HD LYS 1 1.391 0.463 -5.143 10 2HD LYS 1 2HD LYS 1 -0.213 -0.240 -4.954 11 1HE LYS 1 1HE LYS 1 -0.791 1.895 -5.583 12 2HE LYS 1 2HE LYS 1 -0.815 2.085 -3.824 13 1HZ LYS 1 1HZ LYS 1 1.451 3.001 -4.037 14 2HZ LYS 1 2HZ LYS 1 1.341 2.897 -5.675 15 3HZ LYS 1 3HZ LYS 1 0.320 3.866 -4.852 16 H SER 2 H SER 2 4.532 1.211 -2.125 17 HA SER 2 HA SER 2 5.250 3.578 -0.558 18 1HB SER 2 1HB SER 2 6.249 2.543 -3.238 19 2HB SER 2 2HB SER 2 6.946 3.888 -2.305 20 HG SER 2 HG SER 2 7.234 2.305 -0.595 21 H CYS 3 H CYS 3 5.066 5.707 -1.418 22 HA CYS 3 HA CYS 3 2.639 6.106 -3.106 23 1HB CYS 3 1HB CYS 3 2.657 5.591 -0.413 24 2HB CYS 3 2HB CYS 3 2.901 7.314 -0.348 25 H CYS 4 H CYS 4 3.664 7.292 -4.675 26 HA CYS 4 HA CYS 4 5.480 9.490 -3.847 27 1HB CYS 4 1HB CYS 4 5.428 7.777 -6.342 28 2HB CYS 4 2HB CYS 4 6.487 9.147 -6.110 29 HA PRO 5 HA PRO 5 2.692 12.376 -5.492 30 1HB PRO 5 1HB PRO 5 4.356 14.453 -6.228 31 2HB PRO 5 2HB PRO 5 4.021 14.007 -4.539 32 1HG PRO 5 1HG PRO 5 6.394 13.171 -6.225 33 2HG PRO 5 2HG PRO 5 6.400 13.834 -4.563 34 1HD PRO 5 1HD PRO 5 6.566 11.192 -4.999 35 2HD PRO 5 2HD PRO 5 5.526 11.809 -3.680 36 H ASN 6 H ASN 6 5.344 11.467 -7.681 37 HA ASN 6 HA ASN 6 3.597 11.655 -9.994 38 1HB ASN 6 1HB ASN 6 5.083 13.238 -11.252 39 2HB ASN 6 2HB ASN 6 4.118 13.965 -9.973 40 1HD2 ASN 6 1HD2 ASN 6 6.819 14.919 -7.917 41 2HD2 ASN 6 2HD2 ASN 6 5.091 14.804 -8.146 42 H THR 7 H THR 7 4.887 11.190 -12.021 43 HA THR 7 HA THR 7 6.132 8.670 -11.754 44 HB THR 7 HB THR 7 6.315 10.601 -14.111 45 HG1 THR 7 HG1 THR 7 4.172 10.334 -13.563 46 1HG2 THR 7 1HG2 THR 7 6.402 7.552 -13.943 47 2HG2 THR 7 2HG2 THR 7 6.402 8.509 -15.439 48 3HG2 THR 7 3HG2 THR 7 7.775 8.611 -14.327 49 H THR 8 H THR 8 7.510 11.972 -12.112 50 HA THR 8 HA THR 8 10.189 11.071 -12.515 51 HB THR 8 HB THR 8 9.497 13.764 -11.338 52 HG1 THR 8 HG1 THR 8 8.112 13.512 -13.060 53 1HG2 THR 8 1HG2 THR 8 11.588 12.774 -13.334 54 2HG2 THR 8 2HG2 THR 8 11.410 14.439 -12.749 55 3HG2 THR 8 3HG2 THR 8 11.897 13.153 -11.626 56 H GLY 9 H GLY 9 8.310 11.849 -9.635 57 1HA GLY 9 1HA GLY 9 10.431 11.640 -7.706 58 2HA GLY 9 2HA GLY 9 8.691 11.524 -7.404 59 H ARG 10 H ARG 10 7.942 9.307 -8.945 60 HA ARG 10 HA ARG 10 8.762 7.021 -7.493 61 1HB ARG 10 1HB ARG 10 6.657 7.251 -8.716 62 2HB ARG 10 2HB ARG 10 7.514 7.404 -10.245 63 1HG ARG 10 1HG ARG 10 6.555 5.167 -9.932 64 2HG ARG 10 2HG ARG 10 8.304 5.155 -10.161 65 1HD ARG 10 1HD ARG 10 7.672 3.610 -8.443 66 2HD ARG 10 2HD ARG 10 8.627 4.885 -7.697 67 HE ARG 10 HE ARG 10 5.983 5.691 -7.381 68 1HH1 ARG 10 1HH1 ARG 10 4.642 5.112 -5.594 69 2HH1 ARG 10 2HH1 ARG 10 4.999 3.694 -4.656 70 1HH2 ARG 10 1HH2 ARG 10 7.928 2.867 -6.479 71 2HH2 ARG 10 2HH2 ARG 10 6.891 2.400 -5.162 72 H ASN 11 H ASN 11 10.048 8.514 -10.478 73 HA ASN 11 HA ASN 11 11.802 6.312 -11.098 74 1HB ASN 11 1HB ASN 11 12.077 9.245 -11.872 75 2HB ASN 11 2HB ASN 11 12.940 7.886 -12.582 76 1HD2 ASN 11 1HD2 ASN 11 9.899 8.989 -14.615 77 2HD2 ASN 11 2HD2 ASN 11 11.216 9.863 -13.872 78 H ILE 12 H ILE 12 12.313 9.446 -9.312 79 HA ILE 12 HA ILE 12 15.091 8.876 -8.976 80 HB ILE 12 HB ILE 12 13.681 11.126 -8.767 81 1HG1 ILE 12 1HG1 ILE 12 16.040 11.114 -9.017 82 2HG1 ILE 12 2HG1 ILE 12 15.646 12.143 -7.639 83 1HG2 ILE 12 1HG2 ILE 12 14.026 10.391 -5.833 84 2HG2 ILE 12 2HG2 ILE 12 13.559 11.961 -6.502 85 3HG2 ILE 12 3HG2 ILE 12 12.498 10.570 -6.717 86 1HD1 ILE 12 1HD1 ILE 12 16.865 9.347 -7.592 87 2HD1 ILE 12 2HD1 ILE 12 17.576 10.855 -7.030 88 3HD1 ILE 12 3HD1 ILE 12 16.233 10.132 -6.130 89 H TYR 13 H TYR 13 12.222 8.455 -6.872 90 HA TYR 13 HA TYR 13 13.364 7.393 -4.594 91 1HB TYR 13 1HB TYR 13 10.992 7.968 -4.871 92 2HB TYR 13 2HB TYR 13 10.793 6.732 -6.100 93 HD1 TYR 13 HD1 TYR 13 9.843 4.687 -5.470 94 HD2 TYR 13 HD2 TYR 13 11.779 7.148 -2.520 95 HE1 TYR 13 HE1 TYR 13 8.990 3.215 -3.691 96 HE2 TYR 13 HE2 TYR 13 10.944 5.664 -0.725 97 HH TYR 13 HH TYR 13 9.011 2.722 -1.431 98 H ASN 14 H ASN 14 12.423 5.797 -7.648 99 HA ASN 14 HA ASN 14 13.221 3.236 -6.807 100 1HB ASN 14 1HB ASN 14 12.645 4.522 -9.509 101 2HB ASN 14 2HB ASN 14 13.180 2.864 -9.429 102 1HD2 ASN 14 1HD2 ASN 14 9.372 3.179 -9.407 103 2HD2 ASN 14 2HD2 ASN 14 10.568 4.114 -10.276 104 H ALA 15 H ALA 15 14.970 5.811 -8.459 105 HA ALA 15 HA ALA 15 17.218 4.210 -9.287 106 1HB ALA 15 1HB ALA 15 18.348 6.362 -9.614 107 2HB ALA 15 2HB ALA 15 16.707 6.397 -10.290 108 3HB ALA 15 3HB ALA 15 17.050 7.202 -8.743 109 H CYS 16 H CYS 16 16.468 6.167 -6.415 110 HA CYS 16 HA CYS 16 18.903 5.911 -4.995 111 1HB CYS 16 1HB CYS 16 17.065 7.510 -4.487 112 2HB CYS 16 2HB CYS 16 16.035 6.187 -4.045 113 H ARG 17 H ARG 17 15.814 4.002 -4.742 114 HA ARG 17 HA ARG 17 16.733 2.089 -2.957 115 1HB ARG 17 1HB ARG 17 14.703 1.931 -5.216 116 2HB ARG 17 2HB ARG 17 14.840 0.696 -3.965 117 1HG ARG 17 1HG ARG 17 14.548 3.560 -3.026 118 2HG ARG 17 2HG ARG 17 13.147 2.806 -3.795 119 1HD ARG 17 1HD ARG 17 13.261 2.576 -1.303 120 2HD ARG 17 2HD ARG 17 13.065 1.077 -2.229 121 HE ARG 17 HE ARG 17 15.715 2.043 -1.210 122 1HH1 ARG 17 1HH1 ARG 17 16.922 0.615 0.030 123 2HH1 ARG 17 2HH1 ARG 17 16.203 -0.893 0.558 124 1HH2 ARG 17 1HH2 ARG 17 13.210 -0.529 -1.186 125 2HH2 ARG 17 2HH2 ARG 17 14.197 -1.591 -0.223 126 H LEU 18 H LEU 18 16.874 1.952 -6.543 127 HA LEU 18 HA LEU 18 17.972 -0.649 -6.748 128 1HB LEU 18 1HB LEU 18 18.091 1.801 -8.540 129 2HB LEU 18 2HB LEU 18 18.774 0.248 -9.023 130 HG LEU 18 HG LEU 18 15.885 0.502 -8.152 131 1HD1 LEU 18 1HD1 LEU 18 16.256 2.035 -10.066 132 2HD1 LEU 18 2HD1 LEU 18 17.011 0.714 -10.981 133 3HD1 LEU 18 3HD1 LEU 18 15.288 0.635 -10.552 134 1HD2 LEU 18 1HD2 LEU 18 15.614 -1.556 -9.517 135 2HD2 LEU 18 2HD2 LEU 18 17.356 -1.558 -9.857 136 3HD2 LEU 18 3HD2 LEU 18 16.765 -1.808 -8.202 137 H THR 19 H THR 19 19.535 2.519 -6.314 138 HA THR 19 HA THR 19 22.223 1.314 -6.312 139 HB THR 19 HB THR 19 22.982 3.600 -5.745 140 HG1 THR 19 HG1 THR 19 20.239 4.260 -6.033 141 1HG2 THR 19 1HG2 THR 19 21.121 3.426 -8.153 142 2HG2 THR 19 2HG2 THR 19 22.418 4.610 -7.903 143 3HG2 THR 19 3HG2 THR 19 22.812 2.891 -8.086 144 H GLY 20 H GLY 20 20.193 0.310 -4.360 145 1HA GLY 20 1HA GLY 20 20.378 -0.725 -2.388 146 2HA GLY 20 2HA GLY 20 22.103 -0.349 -2.441 147 H ALA 21 H ALA 21 19.768 2.303 -2.367 148 HA ALA 21 HA ALA 21 20.735 3.016 0.347 149 1HB ALA 21 1HB ALA 21 19.306 4.579 -1.789 150 2HB ALA 21 2HB ALA 21 19.727 5.235 -0.193 151 3HB ALA 21 3HB ALA 21 21.004 4.714 -1.314 152 HA PRO 22 HA PRO 22 17.071 1.488 2.117 153 1HB PRO 22 1HB PRO 22 16.924 2.730 4.526 154 2HB PRO 22 2HB PRO 22 18.286 1.674 4.074 155 1HG PRO 22 1HG PRO 22 18.174 4.694 3.825 156 2HG PRO 22 2HG PRO 22 19.421 3.721 4.663 157 1HD PRO 22 1HD PRO 22 19.790 4.540 2.108 158 2HD PRO 22 2HD PRO 22 20.272 2.888 2.604 159 H ARG 23 H ARG 23 14.847 1.888 2.773 160 HA ARG 23 HA ARG 23 13.573 3.471 0.921 161 1HB ARG 23 1HB ARG 23 12.389 2.288 3.467 162 2HB ARG 23 2HB ARG 23 11.499 2.919 2.083 163 1HG ARG 23 1HG ARG 23 12.434 1.212 0.641 164 2HG ARG 23 2HG ARG 23 13.486 0.602 1.944 165 1HD ARG 23 1HD ARG 23 11.504 0.034 3.314 166 2HD ARG 23 2HD ARG 23 10.471 0.768 2.093 167 HE ARG 23 HE ARG 23 10.613 -1.056 0.765 168 1HH1 ARG 23 1HH1 ARG 23 11.083 -3.253 0.291 169 2HH1 ARG 23 2HH1 ARG 23 12.309 -4.107 1.192 170 1HH2 ARG 23 1HH2 ARG 23 13.103 -1.366 3.280 171 2HH2 ARG 23 2HH2 ARG 23 13.455 -3.033 2.906 172 HA PRO 24 HA PRO 24 12.318 6.615 4.380 173 1HB PRO 24 1HB PRO 24 14.856 6.638 6.013 174 2HB PRO 24 2HB PRO 24 13.177 6.937 6.542 175 1HG PRO 24 1HG PRO 24 14.337 4.547 7.045 176 2HG PRO 24 2HG PRO 24 12.663 4.588 6.405 177 1HD PRO 24 1HD PRO 24 15.236 4.219 4.847 178 2HD PRO 24 2HD PRO 24 13.778 3.192 4.830 179 H THR 25 H THR 25 15.854 6.403 3.706 180 HA THR 25 HA THR 25 16.288 9.172 3.335 181 HB THR 25 HB THR 25 17.787 6.799 2.128 182 HG1 THR 25 HG1 THR 25 18.107 8.166 4.591 183 1HG2 THR 25 1HG2 THR 25 19.745 8.324 2.210 184 2HG2 THR 25 2HG2 THR 25 18.495 8.938 1.116 185 3HG2 THR 25 3HG2 THR 25 18.689 9.654 2.732 186 H CYS 26 H CYS 26 15.529 6.574 1.009 187 HA CYS 26 HA CYS 26 15.640 8.234 -1.328 188 1HB CYS 26 1HB CYS 26 14.179 5.602 -0.865 189 2HB CYS 26 2HB CYS 26 14.531 6.332 -2.408 190 H ALA 27 H ALA 27 13.076 7.294 0.934 191 HA ALA 27 HA ALA 27 10.857 8.242 -0.534 192 1HB ALA 27 1HB ALA 27 11.207 8.034 2.480 193 2HB ALA 27 2HB ALA 27 9.675 8.228 1.610 194 3HB ALA 27 3HB ALA 27 10.620 6.752 1.398 195 H LYS 28 H LYS 28 13.155 9.932 1.652 196 HA LYS 28 HA LYS 28 11.577 12.446 1.356 197 1HB LYS 28 1HB LYS 28 14.018 11.883 3.016 198 2HB LYS 28 2HB LYS 28 13.027 13.352 3.042 199 1HG LYS 28 1HG LYS 28 12.088 10.544 3.804 200 2HG LYS 28 2HG LYS 28 12.536 11.851 4.893 201 1HD LYS 28 1HD LYS 28 10.274 11.916 4.990 202 2HD LYS 28 2HD LYS 28 10.592 13.202 3.822 203 1HE LYS 28 1HE LYS 28 9.704 11.872 2.020 204 2HE LYS 28 2HE LYS 28 9.973 10.356 2.899 205 1HZ LYS 28 1HZ LYS 28 8.189 10.978 4.335 206 2HZ LYS 28 2HZ LYS 28 7.981 12.406 3.529 207 3HZ LYS 28 3HZ LYS 28 7.719 10.972 2.751 208 H LEU 29 H LEU 29 14.523 11.029 0.047 209 HA LEU 29 HA LEU 29 15.480 13.402 -1.206 210 1HB LEU 29 1HB LEU 29 16.752 11.304 -1.107 211 2HB LEU 29 2HB LEU 29 15.528 10.492 -2.091 212 HG LEU 29 HG LEU 29 16.074 11.934 -4.020 213 1HD1 LEU 29 1HD1 LEU 29 16.857 13.985 -2.914 214 2HD1 LEU 29 2HD1 LEU 29 18.210 13.099 -2.171 215 3HD1 LEU 29 3HD1 LEU 29 18.147 13.335 -3.930 216 1HD2 LEU 29 1HD2 LEU 29 18.494 10.589 -2.746 217 2HD2 LEU 29 2HD2 LEU 29 17.222 9.780 -3.686 218 3HD2 LEU 29 3HD2 LEU 29 18.289 10.958 -4.471 219 H SER 30 H SER 30 12.973 10.990 -2.081 220 HA SER 30 HA SER 30 12.258 12.320 -4.566 221 1HB SER 30 1HB SER 30 10.651 10.487 -4.714 222 2HB SER 30 2HB SER 30 12.264 9.869 -4.295 223 HG SER 30 HG SER 30 11.593 9.773 -2.123 224 H GLY 31 H GLY 31 10.975 12.169 -1.215 225 1HA GLY 31 1HA GLY 31 9.290 13.439 -0.274 226 2HA GLY 31 2HA GLY 31 8.825 14.096 -1.845 227 H CYS 32 H CYS 32 9.315 10.603 -1.683 228 HA CYS 32 HA CYS 32 6.452 10.026 -1.880 229 1HB CYS 32 1HB CYS 32 8.757 8.118 -1.527 230 2HB CYS 32 2HB CYS 32 7.117 7.727 -2.007 231 H LYS 33 H LYS 33 5.641 8.238 -0.364 232 HA LYS 33 HA LYS 33 6.921 8.006 2.243 233 1HB LYS 33 1HB LYS 33 4.943 8.581 3.545 234 2HB LYS 33 2HB LYS 33 5.489 9.942 2.565 235 1HG LYS 33 1HG LYS 33 3.736 9.243 0.828 236 2HG LYS 33 2HG LYS 33 3.140 8.069 2.012 237 1HD LYS 33 1HD LYS 33 1.753 10.006 2.131 238 2HD LYS 33 2HD LYS 33 2.726 9.967 3.614 239 1HE LYS 33 1HE LYS 33 4.233 11.696 2.687 240 2HE LYS 33 2HE LYS 33 3.420 11.592 1.122 241 1HZ LYS 33 1HZ LYS 33 2.227 12.524 3.651 242 2HZ LYS 33 2HZ LYS 33 2.669 13.465 2.368 243 3HZ LYS 33 3HZ LYS 33 1.430 12.405 2.212 244 H ILE 34 H ILE 34 5.417 6.389 3.582 245 HA ILE 34 HA ILE 34 4.748 4.131 1.742 246 HB ILE 34 HB ILE 34 5.921 4.026 4.537 247 1HG1 ILE 34 1HG1 ILE 34 7.556 5.167 3.085 248 2HG1 ILE 34 2HG1 ILE 34 8.079 3.604 3.672 249 1HG2 ILE 34 1HG2 ILE 34 4.769 1.989 3.915 250 2HG2 ILE 34 2HG2 ILE 34 5.603 1.926 2.353 251 3HG2 ILE 34 3HG2 ILE 34 6.514 1.695 3.863 252 1HD1 ILE 34 1HD1 ILE 34 8.721 3.975 1.341 253 2HD1 ILE 34 2HD1 ILE 34 7.643 2.578 1.477 254 3HD1 ILE 34 3HD1 ILE 34 7.024 4.133 0.866 255 H ILE 35 H ILE 35 2.673 3.423 1.923 256 HA ILE 35 HA ILE 35 1.235 3.770 4.509 257 HB ILE 35 HB ILE 35 -0.786 4.017 3.360 258 1HG1 ILE 35 1HG1 ILE 35 0.644 4.111 0.677 259 2HG1 ILE 35 2HG1 ILE 35 -0.173 2.670 1.294 260 1HG2 ILE 35 1HG2 ILE 35 0.608 6.033 3.859 261 2HG2 ILE 35 2HG2 ILE 35 1.185 6.018 2.180 262 3HG2 ILE 35 3HG2 ILE 35 -0.532 6.287 2.534 263 1HD1 ILE 35 1HD1 ILE 35 -2.282 3.941 1.555 264 2HD1 ILE 35 2HD1 ILE 35 -1.516 5.317 0.729 265 3HD1 ILE 35 3HD1 ILE 35 -1.722 3.766 -0.118 266 H SER 36 H SER 36 -0.337 2.104 4.961 267 HA SER 36 HA SER 36 0.418 -0.567 4.238 268 1HB SER 36 1HB SER 36 -2.020 0.602 5.656 269 2HB SER 36 2HB SER 36 -1.541 -1.102 5.625 270 HG SER 36 HG SER 36 -0.807 -0.028 7.509 271 H GLY 37 H GLY 37 -1.989 1.780 3.221 272 1HA GLY 37 1HA GLY 37 -3.938 0.152 2.107 273 2HA GLY 37 2HA GLY 37 -3.626 1.816 1.610 274 H SER 38 H SER 38 -4.362 -0.765 0.162 275 HA SER 38 HA SER 38 -2.299 -1.515 -1.640 276 1HB SER 38 1HB SER 38 -4.293 -2.384 -2.914 277 2HB SER 38 2HB SER 38 -4.209 -2.928 -1.229 278 HG SER 38 HG SER 38 -6.302 -2.190 -1.826 279 H THR 39 H THR 39 -4.959 0.944 -1.782 280 HA THR 39 HA THR 39 -3.870 2.097 -4.266 281 HB THR 39 HB THR 39 -6.103 3.281 -4.045 282 HG1 THR 39 HG1 THR 39 -6.343 2.838 -1.806 283 1HG2 THR 39 1HG2 THR 39 -6.220 0.233 -4.200 284 2HG2 THR 39 2HG2 THR 39 -7.439 1.358 -4.832 285 3HG2 THR 39 3HG2 THR 39 -5.816 1.319 -5.548 286 H CYS 40 H CYS 40 -2.611 3.857 -4.056 287 HA CYS 40 HA CYS 40 -2.607 5.541 -1.650 288 1HB CYS 40 1HB CYS 40 -1.056 5.427 -4.248 289 2HB CYS 40 2HB CYS 40 -1.043 6.851 -3.216 290 HA PRO 41 HA PRO 41 -5.724 8.230 -3.313 291 1HB PRO 41 1HB PRO 41 -5.186 10.624 -2.122 292 2HB PRO 41 2HB PRO 41 -5.643 9.182 -1.173 293 1HG PRO 41 1HG PRO 41 -2.829 10.145 -1.786 294 2HG PRO 41 2HG PRO 41 -3.529 9.826 -0.170 295 1HD PRO 41 1HD PRO 41 -2.077 7.946 -1.450 296 2HD PRO 41 2HD PRO 41 -3.566 7.470 -0.583 297 H SER 42 H SER 42 -6.014 10.411 -4.451 298 HA SER 42 HA SER 42 -4.513 10.612 -6.811 299 1HB SER 42 1HB SER 42 -6.171 12.766 -5.433 300 2HB SER 42 2HB SER 42 -5.744 12.698 -7.155 301 HG SER 42 HG SER 42 -6.892 10.696 -7.240 302 H ASP 43 H ASP 43 -3.957 12.076 -3.647 303 HA ASP 43 HA ASP 43 -2.132 14.116 -4.354 304 1HB ASP 43 1HB ASP 43 -3.311 13.785 -2.164 305 2HB ASP 43 2HB ASP 43 -2.241 12.420 -1.824 306 H TYR 44 H TYR 44 -1.744 10.587 -3.989 307 HA TYR 44 HA TYR 44 1.075 10.797 -4.936 308 1HB TYR 44 1HB TYR 44 -0.020 8.944 -2.808 309 2HB TYR 44 2HB TYR 44 1.612 8.930 -3.464 310 HD1 TYR 44 HD1 TYR 44 -0.485 10.209 -0.863 311 HD2 TYR 44 HD2 TYR 44 2.951 11.206 -3.256 312 HE1 TYR 44 HE1 TYR 44 -0.061 12.184 0.560 313 HE2 TYR 44 HE2 TYR 44 3.336 13.221 -1.880 314 HH TYR 44 HH TYR 44 2.443 14.602 -0.253 315 HA PRO 45 HA PRO 45 -1.748 8.408 -7.724 316 1HB PRO 45 1HB PRO 45 0.390 9.272 -9.673 317 2HB PRO 45 2HB PRO 45 -1.378 9.189 -9.917 318 1HG PRO 45 1HG PRO 45 -0.195 11.577 -9.435 319 2HG PRO 45 2HG PRO 45 -1.705 11.151 -8.570 320 1HD PRO 45 1HD PRO 45 1.147 10.862 -7.577 321 2HD PRO 45 2HD PRO 45 -0.238 11.645 -6.766 322 H LYS 46 H LYS 46 1.790 8.132 -7.271 323 HA LYS 46 HA LYS 46 1.832 5.527 -8.733 324 1HB LYS 46 1HB LYS 46 4.011 7.490 -7.949 325 2HB LYS 46 2HB LYS 46 4.284 5.945 -8.769 326 1HG LYS 46 1HG LYS 46 2.757 8.358 -9.844 327 2HG LYS 46 2HG LYS 46 4.360 7.791 -10.326 328 1HD LYS 46 1HD LYS 46 3.256 5.589 -11.026 329 2HD LYS 46 2HD LYS 46 1.691 6.407 -10.801 330 1HE LYS 46 1HE LYS 46 2.421 8.172 -12.419 331 2HE LYS 46 2HE LYS 46 3.928 7.266 -12.680 332 1HZ LYS 46 1HZ LYS 46 1.223 6.274 -13.231 333 2HZ LYS 46 2HZ LYS 46 2.314 6.794 -14.352 334 3HZ LYS 46 3HZ LYS 46 2.623 5.437 -13.470 Start of MODEL 7 1 1H LYS 1 1H LYS 1 1.345 0.662 1.044 2 2H LYS 1 2H LYS 1 0.430 1.522 -0.012 3 3H LYS 1 3H LYS 1 0.261 -0.110 0.067 4 HA LYS 1 HA LYS 1 2.481 -0.432 -0.744 5 1HB LYS 1 1HB LYS 1 0.955 1.533 -2.489 6 2HB LYS 1 2HB LYS 1 2.170 0.356 -3.039 7 1HG LYS 1 1HG LYS 1 0.630 -1.472 -2.168 8 2HG LYS 1 2HG LYS 1 -0.608 -0.220 -1.978 9 1HD LYS 1 1HD LYS 1 0.762 -1.115 -4.557 10 2HD LYS 1 2HD LYS 1 -0.908 -1.353 -4.077 11 1HE LYS 1 1HE LYS 1 -1.132 0.401 -5.561 12 2HE LYS 1 2HE LYS 1 -1.065 1.276 -4.025 13 1HZ LYS 1 1HZ LYS 1 1.259 1.717 -4.486 14 2HZ LYS 1 2HZ LYS 1 1.170 0.865 -5.894 15 3HZ LYS 1 3HZ LYS 1 0.305 2.252 -5.710 16 H SER 2 H SER 2 4.064 0.856 -2.321 17 HA SER 2 HA SER 2 5.130 3.236 -0.969 18 1HB SER 2 1HB SER 2 5.914 2.032 -3.657 19 2HB SER 2 2HB SER 2 6.876 3.131 -2.648 20 HG SER 2 HG SER 2 6.844 1.375 -1.069 21 H CYS 3 H CYS 3 4.894 5.287 -1.675 22 HA CYS 3 HA CYS 3 2.807 5.819 -3.753 23 1HB CYS 3 1HB CYS 3 2.948 6.356 -0.774 24 2HB CYS 3 2HB CYS 3 1.847 7.233 -1.832 25 H CYS 4 H CYS 4 3.501 7.376 -5.098 26 HA CYS 4 HA CYS 4 5.443 9.387 -4.088 27 1HB CYS 4 1HB CYS 4 5.345 8.018 -6.764 28 2HB CYS 4 2HB CYS 4 6.384 9.381 -6.384 29 HA PRO 5 HA PRO 5 2.725 12.604 -5.643 30 1HB PRO 5 1HB PRO 5 5.290 13.938 -6.476 31 2HB PRO 5 2HB PRO 5 3.918 14.632 -5.578 32 1HG PRO 5 1HG PRO 5 6.202 13.918 -4.305 33 2HG PRO 5 2HG PRO 5 4.624 13.487 -3.581 34 1HD PRO 5 1HD PRO 5 6.454 11.727 -5.245 35 2HD PRO 5 2HD PRO 5 5.632 11.406 -3.692 36 H ASN 6 H ASN 6 5.533 11.759 -7.743 37 HA ASN 6 HA ASN 6 3.818 11.755 -10.130 38 1HB ASN 6 1HB ASN 6 5.093 13.398 -11.343 39 2HB ASN 6 2HB ASN 6 4.331 14.110 -9.921 40 1HD2 ASN 6 1HD2 ASN 6 7.355 14.919 -8.288 41 2HD2 ASN 6 2HD2 ASN 6 5.605 14.897 -8.249 42 H THR 7 H THR 7 5.112 11.296 -12.104 43 HA THR 7 HA THR 7 6.337 8.803 -11.821 44 HB THR 7 HB THR 7 6.494 10.714 -14.189 45 HG1 THR 7 HG1 THR 7 4.475 8.853 -13.483 46 1HG2 THR 7 1HG2 THR 7 6.465 7.663 -14.009 47 2HG2 THR 7 2HG2 THR 7 6.438 8.615 -15.508 48 3HG2 THR 7 3HG2 THR 7 7.866 8.664 -14.456 49 H THR 8 H THR 8 7.781 12.075 -12.204 50 HA THR 8 HA THR 8 10.455 11.125 -12.611 51 HB THR 8 HB THR 8 9.778 13.835 -11.470 52 HG1 THR 8 HG1 THR 8 9.556 12.953 -14.157 53 1HG2 THR 8 1HG2 THR 8 11.856 12.819 -13.467 54 2HG2 THR 8 2HG2 THR 8 11.684 14.491 -12.899 55 3HG2 THR 8 3HG2 THR 8 12.172 13.216 -11.764 56 H GLY 9 H GLY 9 8.524 11.900 -9.772 57 1HA GLY 9 1HA GLY 9 10.606 11.708 -7.794 58 2HA GLY 9 2HA GLY 9 8.862 11.568 -7.533 59 H ARG 10 H ARG 10 8.167 9.366 -9.092 60 HA ARG 10 HA ARG 10 8.983 7.066 -7.660 61 1HB ARG 10 1HB ARG 10 6.901 7.264 -8.913 62 2HB ARG 10 2HB ARG 10 7.776 7.464 -10.426 63 1HG ARG 10 1HG ARG 10 6.877 5.201 -10.183 64 2HG ARG 10 2HG ARG 10 8.632 5.229 -10.357 65 1HD ARG 10 1HD ARG 10 7.986 3.645 -8.658 66 2HD ARG 10 2HD ARG 10 8.865 4.948 -7.869 67 HE ARG 10 HE ARG 10 6.062 5.518 -7.797 68 1HH1 ARG 10 1HH1 ARG 10 4.726 4.939 -6.102 69 2HH1 ARG 10 2HH1 ARG 10 5.187 3.725 -4.935 70 1HH2 ARG 10 1HH2 ARG 10 8.352 3.154 -6.473 71 2HH2 ARG 10 2HH2 ARG 10 7.308 2.700 -5.152 72 H ASN 11 H ASN 11 10.301 8.599 -10.605 73 HA ASN 11 HA ASN 11 12.095 6.422 -11.204 74 1HB ASN 11 1HB ASN 11 12.327 9.361 -11.970 75 2HB ASN 11 2HB ASN 11 13.230 8.023 -12.668 76 1HD2 ASN 11 1HD2 ASN 11 10.176 9.043 -14.737 77 2HD2 ASN 11 2HD2 ASN 11 11.471 9.951 -13.994 78 H ILE 12 H ILE 12 12.541 9.542 -9.378 79 HA ILE 12 HA ILE 12 15.315 8.986 -8.978 80 HB ILE 12 HB ILE 12 13.882 11.223 -8.765 81 1HG1 ILE 12 1HG1 ILE 12 16.247 11.228 -8.965 82 2HG1 ILE 12 2HG1 ILE 12 15.813 12.236 -7.584 83 1HG2 ILE 12 1HG2 ILE 12 14.168 10.436 -5.838 84 2HG2 ILE 12 2HG2 ILE 12 13.711 12.017 -6.485 85 3HG2 ILE 12 3HG2 ILE 12 12.660 10.628 -6.752 86 1HD1 ILE 12 1HD1 ILE 12 16.381 10.213 -6.085 87 2HD1 ILE 12 2HD1 ILE 12 17.052 9.451 -7.542 88 3HD1 ILE 12 3HD1 ILE 12 17.739 10.956 -6.946 89 H TYR 13 H TYR 13 12.398 8.503 -6.957 90 HA TYR 13 HA TYR 13 13.487 7.413 -4.665 91 1HB TYR 13 1HB TYR 13 11.115 7.950 -4.984 92 2HB TYR 13 2HB TYR 13 10.964 6.744 -6.247 93 HD1 TYR 13 HD1 TYR 13 10.246 4.554 -5.720 94 HD2 TYR 13 HD2 TYR 13 11.691 7.162 -2.622 95 HE1 TYR 13 HE1 TYR 13 9.403 2.985 -4.011 96 HE2 TYR 13 HE2 TYR 13 10.850 5.596 -0.899 97 HH TYR 13 HH TYR 13 9.298 2.473 -1.766 98 H ASN 14 H ASN 14 12.656 5.861 -7.772 99 HA ASN 14 HA ASN 14 13.454 3.294 -6.949 100 1HB ASN 14 1HB ASN 14 12.942 4.619 -9.645 101 2HB ASN 14 2HB ASN 14 13.488 2.963 -9.575 102 1HD2 ASN 14 1HD2 ASN 14 9.676 3.262 -9.640 103 2HD2 ASN 14 2HD2 ASN 14 10.883 4.229 -10.456 104 H ALA 15 H ALA 15 15.218 5.916 -8.508 105 HA ALA 15 HA ALA 15 17.516 4.368 -9.286 106 1HB ALA 15 1HB ALA 15 18.631 6.535 -9.519 107 2HB ALA 15 2HB ALA 15 17.014 6.574 -10.250 108 3HB ALA 15 3HB ALA 15 17.297 7.341 -8.674 109 H CYS 16 H CYS 16 16.660 6.270 -6.403 110 HA CYS 16 HA CYS 16 19.035 6.007 -4.901 111 1HB CYS 16 1HB CYS 16 17.161 7.573 -4.425 112 2HB CYS 16 2HB CYS 16 16.131 6.230 -4.051 113 H ARG 17 H ARG 17 15.974 4.050 -4.803 114 HA ARG 17 HA ARG 17 16.841 2.113 -3.013 115 1HB ARG 17 1HB ARG 17 14.910 1.974 -5.358 116 2HB ARG 17 2HB ARG 17 15.010 0.720 -4.123 117 1HG ARG 17 1HG ARG 17 14.648 3.560 -3.141 118 2HG ARG 17 2HG ARG 17 13.289 2.818 -3.994 119 1HD ARG 17 1HD ARG 17 13.285 2.535 -1.505 120 2HD ARG 17 2HD ARG 17 13.138 1.056 -2.473 121 HE ARG 17 HE ARG 17 15.738 1.999 -1.316 122 1HH1 ARG 17 1HH1 ARG 17 16.885 0.547 -0.047 123 2HH1 ARG 17 2HH1 ARG 17 16.137 -0.965 0.429 124 1HH2 ARG 17 1HH2 ARG 17 13.218 -0.555 -1.428 125 2HH2 ARG 17 2HH2 ARG 17 14.158 -1.637 -0.439 126 H LEU 18 H LEU 18 17.158 2.078 -6.595 127 HA LEU 18 HA LEU 18 18.309 -0.503 -6.802 128 1HB LEU 18 1HB LEU 18 18.466 1.983 -8.539 129 2HB LEU 18 2HB LEU 18 19.204 0.453 -9.015 130 HG LEU 18 HG LEU 18 16.275 0.632 -8.275 131 1HD1 LEU 18 1HD1 LEU 18 16.690 2.213 -10.136 132 2HD1 LEU 18 2HD1 LEU 18 17.520 0.933 -11.045 133 3HD1 LEU 18 3HD1 LEU 18 15.782 0.801 -10.698 134 1HD2 LEU 18 1HD2 LEU 18 17.206 -1.659 -8.335 135 2HD2 LEU 18 2HD2 LEU 18 16.108 -1.402 -9.694 136 3HD2 LEU 18 3HD2 LEU 18 17.862 -1.359 -9.957 137 H THR 19 H THR 19 19.793 2.681 -6.195 138 HA THR 19 HA THR 19 22.496 1.522 -6.078 139 HB THR 19 HB THR 19 23.146 3.805 -5.322 140 HG1 THR 19 HG1 THR 19 20.887 4.194 -4.504 141 1HG2 THR 19 1HG2 THR 19 22.730 4.899 -7.471 142 2HG2 THR 19 2HG2 THR 19 23.184 3.201 -7.706 143 3HG2 THR 19 3HG2 THR 19 21.488 3.700 -7.877 144 H GLY 20 H GLY 20 20.367 0.388 -4.295 145 1HA GLY 20 1HA GLY 20 20.403 -0.686 -2.333 146 2HA GLY 20 2HA GLY 20 22.135 -0.338 -2.279 147 H ALA 21 H ALA 21 19.791 2.318 -2.255 148 HA ALA 21 HA ALA 21 20.637 2.978 0.513 149 1HB ALA 21 1HB ALA 21 19.648 5.204 -0.019 150 2HB ALA 21 2HB ALA 21 20.969 4.714 -1.103 151 3HB ALA 21 3HB ALA 21 19.290 4.586 -1.645 152 HA PRO 22 HA PRO 22 16.900 1.389 2.066 153 1HB PRO 22 1HB PRO 22 16.627 2.568 4.494 154 2HB PRO 22 2HB PRO 22 18.018 1.534 4.083 155 1HG PRO 22 1HG PRO 22 17.894 4.558 3.900 156 2HG PRO 22 2HG PRO 22 19.105 3.574 4.778 157 1HD PRO 22 1HD PRO 22 19.597 4.453 2.264 158 2HD PRO 22 2HD PRO 22 20.065 2.794 2.745 159 H ARG 23 H ARG 23 14.645 1.769 2.627 160 HA ARG 23 HA ARG 23 13.440 3.389 0.757 161 1HB ARG 23 1HB ARG 23 12.168 2.142 3.227 162 2HB ARG 23 2HB ARG 23 11.325 2.812 1.831 163 1HG ARG 23 1HG ARG 23 12.308 1.147 0.373 164 2HG ARG 23 2HG ARG 23 13.323 0.505 1.690 165 1HD ARG 23 1HD ARG 23 11.313 -0.121 2.980 166 2HD ARG 23 2HD ARG 23 10.305 0.656 1.766 167 HE ARG 23 HE ARG 23 10.482 -1.117 0.372 168 1HH1 ARG 23 1HH1 ARG 23 10.963 -3.295 -0.169 169 2HH1 ARG 23 2HH1 ARG 23 12.165 -4.182 0.730 170 1HH2 ARG 23 1HH2 ARG 23 12.910 -1.520 2.935 171 2HH2 ARG 23 2HH2 ARG 23 13.270 -3.173 2.510 172 HA PRO 24 HA PRO 24 12.047 6.459 4.229 173 1HB PRO 24 1HB PRO 24 14.516 6.448 5.964 174 2HB PRO 24 2HB PRO 24 12.816 6.738 6.430 175 1HG PRO 24 1HG PRO 24 13.952 4.336 6.931 176 2HG PRO 24 2HG PRO 24 12.307 4.392 6.221 177 1HD PRO 24 1HD PRO 24 14.944 4.057 4.766 178 2HD PRO 24 2HD PRO 24 13.490 3.028 4.666 179 H THR 25 H THR 25 15.607 6.268 3.686 180 HA THR 25 HA THR 25 16.044 9.047 3.402 181 HB THR 25 HB THR 25 17.601 6.710 2.199 182 HG1 THR 25 HG1 THR 25 18.784 6.920 4.150 183 1HG2 THR 25 1HG2 THR 25 19.545 8.246 2.380 184 2HG2 THR 25 2HG2 THR 25 18.327 8.883 1.264 185 3HG2 THR 25 3HG2 THR 25 18.462 9.553 2.905 186 H CYS 26 H CYS 26 15.392 6.504 0.987 187 HA CYS 26 HA CYS 26 15.587 8.222 -1.304 188 1HB CYS 26 1HB CYS 26 14.143 5.562 -0.966 189 2HB CYS 26 2HB CYS 26 14.551 6.329 -2.476 190 H ALA 27 H ALA 27 12.949 7.207 0.833 191 HA ALA 27 HA ALA 27 10.765 8.164 -0.681 192 1HB ALA 27 1HB ALA 27 11.036 7.914 2.337 193 2HB ALA 27 2HB ALA 27 9.528 8.107 1.430 194 3HB ALA 27 3HB ALA 27 10.489 6.644 1.223 195 H LYS 28 H LYS 28 12.968 9.832 1.624 196 HA LYS 28 HA LYS 28 11.379 12.335 1.298 197 1HB LYS 28 1HB LYS 28 13.737 11.766 3.070 198 2HB LYS 28 2HB LYS 28 12.729 13.223 3.074 199 1HG LYS 28 1HG LYS 28 11.783 10.390 3.725 200 2HG LYS 28 2HG LYS 28 12.159 11.677 4.864 201 1HD LYS 28 1HD LYS 28 9.896 11.723 4.847 202 2HD LYS 28 2HD LYS 28 10.259 13.032 3.719 203 1HE LYS 28 1HE LYS 28 9.480 11.722 1.851 204 2HE LYS 28 2HE LYS 28 9.720 10.196 2.720 205 1HZ LYS 28 1HZ LYS 28 7.857 10.778 4.072 206 2HZ LYS 28 2HZ LYS 28 7.671 12.212 3.272 207 3HZ LYS 28 3HZ LYS 28 7.471 10.784 2.465 208 H LEU 29 H LEU 29 14.382 10.971 0.081 209 HA LEU 29 HA LEU 29 15.367 13.385 -1.080 210 1HB LEU 29 1HB LEU 29 16.655 11.297 -0.988 211 2HB LEU 29 2HB LEU 29 15.470 10.495 -2.025 212 HG LEU 29 HG LEU 29 16.059 11.984 -3.906 213 1HD1 LEU 29 1HD1 LEU 29 18.130 13.124 -1.970 214 2HD1 LEU 29 2HD1 LEU 29 18.116 13.399 -3.724 215 3HD1 LEU 29 3HD1 LEU 29 16.792 14.015 -2.732 216 1HD2 LEU 29 1HD2 LEU 29 18.451 10.629 -2.590 217 2HD2 LEU 29 2HD2 LEU 29 17.214 9.832 -3.585 218 3HD2 LEU 29 3HD2 LEU 29 18.295 11.035 -4.313 219 H SER 30 H SER 30 12.938 10.956 -2.111 220 HA SER 30 HA SER 30 12.309 12.329 -4.591 221 1HB SER 30 1HB SER 30 10.757 10.473 -4.868 222 2HB SER 30 2HB SER 30 12.353 9.874 -4.368 223 HG SER 30 HG SER 30 11.545 9.730 -2.236 224 H GLY 31 H GLY 31 10.851 12.110 -1.315 225 1HA GLY 31 1HA GLY 31 9.072 13.340 -0.474 226 2HA GLY 31 2HA GLY 31 8.645 13.936 -2.080 227 H CYS 32 H CYS 32 9.301 10.497 -1.986 228 HA CYS 32 HA CYS 32 6.483 9.780 -2.187 229 1HB CYS 32 1HB CYS 32 8.877 7.981 -1.994 230 2HB CYS 32 2HB CYS 32 7.246 7.530 -2.452 231 H LYS 33 H LYS 33 5.852 7.779 -0.744 232 HA LYS 33 HA LYS 33 6.847 7.753 1.981 233 1HB LYS 33 1HB LYS 33 4.671 8.407 2.963 234 2HB LYS 33 2HB LYS 33 5.403 9.720 2.065 235 1HG LYS 33 1HG LYS 33 3.853 8.428 0.095 236 2HG LYS 33 2HG LYS 33 2.933 8.150 1.541 237 1HD LYS 33 1HD LYS 33 2.148 10.153 0.471 238 2HD LYS 33 2HD LYS 33 2.955 10.640 1.969 239 1HE LYS 33 1HE LYS 33 3.578 12.168 0.174 240 2HE LYS 33 2HE LYS 33 5.007 11.239 0.604 241 1HZ LYS 33 1HZ LYS 33 4.814 11.378 -1.697 242 2HZ LYS 33 2HZ LYS 33 4.516 9.806 -1.297 243 3HZ LYS 33 3HZ LYS 33 3.268 10.796 -1.709 244 H ILE 34 H ILE 34 5.349 6.198 3.245 245 HA ILE 34 HA ILE 34 4.532 3.928 1.481 246 HB ILE 34 HB ILE 34 6.291 4.043 3.948 247 1HG1 ILE 34 1HG1 ILE 34 7.149 4.501 1.467 248 2HG1 ILE 34 2HG1 ILE 34 8.071 3.553 2.608 249 1HG2 ILE 34 1HG2 ILE 34 4.897 2.114 4.260 250 2HG2 ILE 34 2HG2 ILE 34 5.081 1.612 2.573 251 3HG2 ILE 34 3HG2 ILE 34 6.470 1.548 3.687 252 1HD1 ILE 34 1HD1 ILE 34 7.465 1.502 1.520 253 2HD1 ILE 34 2HD1 ILE 34 6.132 2.284 0.652 254 3HD1 ILE 34 3HD1 ILE 34 7.811 2.665 0.226 255 H ILE 35 H ILE 35 2.516 3.257 1.898 256 HA ILE 35 HA ILE 35 1.330 3.759 4.602 257 HB ILE 35 HB ILE 35 -0.763 4.084 3.622 258 1HG1 ILE 35 1HG1 ILE 35 0.493 3.696 0.882 259 2HG1 ILE 35 2HG1 ILE 35 -0.555 2.535 1.694 260 1HG2 ILE 35 1HG2 ILE 35 0.844 6.017 3.800 261 2HG2 ILE 35 2HG2 ILE 35 1.182 5.835 2.066 262 3HG2 ILE 35 3HG2 ILE 35 -0.450 6.255 2.624 263 1HD1 ILE 35 1HD1 ILE 35 -1.380 5.293 0.786 264 2HD1 ILE 35 2HD1 ILE 35 -1.908 3.712 0.167 265 3HD1 ILE 35 3HD1 ILE 35 -2.368 4.217 1.808 266 H SER 36 H SER 36 -0.365 2.245 5.212 267 HA SER 36 HA SER 36 0.147 -0.523 4.621 268 1HB SER 36 1HB SER 36 -2.100 0.941 6.082 269 2HB SER 36 2HB SER 36 -1.786 -0.799 6.129 270 HG SER 36 HG SER 36 0.277 -0.302 7.025 271 H GLY 37 H GLY 37 -2.111 1.967 3.610 272 1HA GLY 37 1HA GLY 37 -4.261 0.519 2.654 273 2HA GLY 37 2HA GLY 37 -3.767 2.095 2.033 274 H SER 38 H SER 38 -4.899 -0.403 0.758 275 HA SER 38 HA SER 38 -3.012 -1.599 -0.979 276 1HB SER 38 1HB SER 38 -6.032 -1.191 -1.188 277 2HB SER 38 2HB SER 38 -5.063 -2.277 -2.195 278 HG SER 38 HG SER 38 -5.281 -2.411 0.630 279 H THR 39 H THR 39 -5.103 1.344 -1.292 280 HA THR 39 HA THR 39 -3.894 2.000 -3.907 281 HB THR 39 HB THR 39 -5.907 3.558 -3.821 282 HG1 THR 39 HG1 THR 39 -6.219 3.374 -1.565 283 1HG2 THR 39 1HG2 THR 39 -6.510 0.566 -3.715 284 2HG2 THR 39 2HG2 THR 39 -7.535 1.813 -4.453 285 3HG2 THR 39 3HG2 THR 39 -5.942 1.454 -5.147 286 H CYS 40 H CYS 40 -2.432 3.669 -3.924 287 HA CYS 40 HA CYS 40 -1.978 5.436 -1.684 288 1HB CYS 40 1HB CYS 40 -1.228 5.618 -4.630 289 2HB CYS 40 2HB CYS 40 -0.605 6.635 -3.335 290 HA PRO 41 HA PRO 41 -5.385 8.109 -2.633 291 1HB PRO 41 1HB PRO 41 -4.641 10.523 -1.600 292 2HB PRO 41 2HB PRO 41 -4.900 9.085 -0.572 293 1HG PRO 41 1HG PRO 41 -2.268 10.074 -1.706 294 2HG PRO 41 2HG PRO 41 -2.651 9.726 0.007 295 1HD PRO 41 1HD PRO 41 -1.436 7.877 -1.563 296 2HD PRO 41 2HD PRO 41 -2.712 7.373 -0.416 297 H SER 42 H SER 42 -6.011 10.143 -3.753 298 HA SER 42 HA SER 42 -4.883 10.382 -6.365 299 1HB SER 42 1HB SER 42 -6.490 12.296 -6.536 300 2HB SER 42 2HB SER 42 -7.229 10.788 -5.960 301 HG SER 42 HG SER 42 -7.829 12.625 -4.708 302 H ASP 43 H ASP 43 -4.132 11.929 -3.325 303 HA ASP 43 HA ASP 43 -2.809 14.267 -4.255 304 1HB ASP 43 1HB ASP 43 -3.609 13.757 -1.932 305 2HB ASP 43 2HB ASP 43 -2.298 12.585 -1.761 306 H TYR 44 H TYR 44 -1.729 10.878 -3.678 307 HA TYR 44 HA TYR 44 0.867 11.461 -5.039 308 1HB TYR 44 1HB TYR 44 0.482 9.628 -2.660 309 2HB TYR 44 2HB TYR 44 1.983 10.140 -3.412 310 HD1 TYR 44 HD1 TYR 44 -0.178 10.689 -0.673 311 HD2 TYR 44 HD2 TYR 44 2.286 12.848 -3.470 312 HE1 TYR 44 HE1 TYR 44 -0.007 12.570 0.923 313 HE2 TYR 44 HE2 TYR 44 2.441 14.734 -1.882 314 HH TYR 44 HH TYR 44 1.762 15.579 0.155 315 HA PRO 45 HA PRO 45 -1.645 7.957 -6.725 316 1HB PRO 45 1HB PRO 45 -2.107 8.729 -9.280 317 2HB PRO 45 2HB PRO 45 -2.913 9.511 -7.892 318 1HG PRO 45 1HG PRO 45 -0.418 10.468 -9.328 319 2HG PRO 45 2HG PRO 45 -1.907 11.399 -8.992 320 1HD PRO 45 1HD PRO 45 0.280 11.508 -7.348 321 2HD PRO 45 2HD PRO 45 -1.386 11.575 -6.720 322 H LYS 46 H LYS 46 1.590 8.716 -7.187 323 HA LYS 46 HA LYS 46 2.029 6.493 -9.153 324 1HB LYS 46 1HB LYS 46 3.616 9.003 -8.519 325 2HB LYS 46 2HB LYS 46 4.394 7.568 -9.178 326 1HG LYS 46 1HG LYS 46 3.929 8.945 -10.991 327 2HG LYS 46 2HG LYS 46 2.860 7.550 -11.110 328 1HD LYS 46 1HD LYS 46 0.956 8.841 -10.434 329 2HD LYS 46 2HD LYS 46 1.974 10.197 -9.889 330 1HE LYS 46 1HE LYS 46 2.697 10.587 -12.232 331 2HE LYS 46 2HE LYS 46 1.697 9.224 -12.772 332 1HZ LYS 46 1HZ LYS 46 0.722 11.673 -11.483 333 2HZ LYS 46 2HZ LYS 46 0.620 11.315 -13.090 334 3HZ LYS 46 3HZ LYS 46 -0.216 10.413 -11.991 Start of MODEL 8 1 1H LYS 1 1H LYS 1 2.076 0.148 0.960 2 2H LYS 1 2H LYS 1 0.551 0.586 0.545 3 3H LYS 1 3H LYS 1 1.030 -0.969 0.330 4 HA LYS 1 HA LYS 1 2.453 -0.459 -1.387 5 1HB LYS 1 1HB LYS 1 0.051 -0.640 -1.856 6 2HB LYS 1 2HB LYS 1 -0.141 1.105 -1.693 7 1HG LYS 1 1HG LYS 1 1.870 0.193 -3.722 8 2HG LYS 1 2HG LYS 1 0.193 -0.251 -4.049 9 1HD LYS 1 1HD LYS 1 -0.576 2.048 -3.853 10 2HD LYS 1 2HD LYS 1 1.044 2.554 -3.349 11 1HE LYS 1 1HE LYS 1 1.914 1.725 -5.596 12 2HE LYS 1 2HE LYS 1 0.224 1.493 -6.091 13 1HZ LYS 1 1HZ LYS 1 1.442 4.018 -5.213 14 2HZ LYS 1 2HZ LYS 1 1.190 3.615 -6.773 15 3HZ LYS 1 3HZ LYS 1 -0.105 3.849 -5.773 16 H SER 2 H SER 2 3.493 1.124 -2.809 17 HA SER 2 HA SER 2 4.577 3.341 -1.220 18 1HB SER 2 1HB SER 2 6.337 3.380 -2.926 19 2HB SER 2 2HB SER 2 6.137 1.764 -2.234 20 HG SER 2 HG SER 2 4.972 1.164 -4.071 21 H CYS 3 H CYS 3 4.645 5.428 -1.787 22 HA CYS 3 HA CYS 3 2.476 6.307 -3.651 23 1HB CYS 3 1HB CYS 3 2.973 6.699 -0.683 24 2HB CYS 3 2HB CYS 3 1.856 7.709 -1.597 25 H CYS 4 H CYS 4 3.560 7.468 -5.117 26 HA CYS 4 HA CYS 4 5.410 9.614 -4.201 27 1HB CYS 4 1HB CYS 4 5.326 8.008 -6.775 28 2HB CYS 4 2HB CYS 4 6.343 9.409 -6.531 29 HA PRO 5 HA PRO 5 2.540 12.547 -5.931 30 1HB PRO 5 1HB PRO 5 4.215 14.561 -6.734 31 2HB PRO 5 2HB PRO 5 3.843 14.208 -5.036 32 1HG PRO 5 1HG PRO 5 6.269 13.281 -6.586 33 2HG PRO 5 2HG PRO 5 6.214 14.042 -4.971 34 1HD PRO 5 1HD PRO 5 6.402 11.375 -5.261 35 2HD PRO 5 2HD PRO 5 5.349 12.056 -3.988 36 H ASN 6 H ASN 6 5.398 11.716 -7.949 37 HA ASN 6 HA ASN 6 3.737 11.638 -10.366 38 1HB ASN 6 1HB ASN 6 5.195 13.252 -11.572 39 2HB ASN 6 2HB ASN 6 4.167 13.970 -10.332 40 1HD2 ASN 6 1HD2 ASN 6 6.781 15.082 -8.264 41 2HD2 ASN 6 2HD2 ASN 6 5.066 14.977 -8.588 42 H THR 7 H THR 7 5.090 11.132 -12.280 43 HA THR 7 HA THR 7 6.400 8.684 -11.904 44 HB THR 7 HB THR 7 6.551 10.557 -14.302 45 HG1 THR 7 HG1 THR 7 4.622 8.588 -13.642 46 1HG2 THR 7 1HG2 THR 7 6.708 7.514 -14.063 47 2HG2 THR 7 2HG2 THR 7 6.675 8.434 -15.582 48 3HG2 THR 7 3HG2 THR 7 8.055 8.595 -14.482 49 H THR 8 H THR 8 7.718 12.011 -12.332 50 HA THR 8 HA THR 8 10.420 11.212 -12.660 51 HB THR 8 HB THR 8 9.606 13.847 -11.436 52 HG1 THR 8 HG1 THR 8 9.219 14.507 -13.585 53 1HG2 THR 8 1HG2 THR 8 11.715 13.005 -13.481 54 2HG2 THR 8 2HG2 THR 8 11.480 14.642 -12.838 55 3HG2 THR 8 3HG2 THR 8 12.030 13.338 -11.764 56 H GLY 9 H GLY 9 8.469 11.910 -9.796 57 1HA GLY 9 1HA GLY 9 10.570 11.723 -7.839 58 2HA GLY 9 2HA GLY 9 8.831 11.574 -7.560 59 H ARG 10 H ARG 10 8.147 9.356 -9.134 60 HA ARG 10 HA ARG 10 8.978 7.073 -7.689 61 1HB ARG 10 1HB ARG 10 6.905 7.265 -8.979 62 2HB ARG 10 2HB ARG 10 7.812 7.423 -10.479 63 1HG ARG 10 1HG ARG 10 6.891 5.170 -10.177 64 2HG ARG 10 2HG ARG 10 8.645 5.196 -10.359 65 1HD ARG 10 1HD ARG 10 7.978 3.646 -8.635 66 2HD ARG 10 2HD ARG 10 8.905 4.939 -7.885 67 HE ARG 10 HE ARG 10 6.251 5.739 -7.671 68 1HH1 ARG 10 1HH1 ARG 10 4.765 5.135 -5.994 69 2HH1 ARG 10 2HH1 ARG 10 5.097 3.708 -5.045 70 1HH2 ARG 10 1HH2 ARG 10 8.128 2.899 -6.608 71 2HH2 ARG 10 2HH2 ARG 10 6.963 2.476 -5.369 72 H ASN 11 H ASN 11 10.322 8.613 -10.613 73 HA ASN 11 HA ASN 11 12.122 6.443 -11.216 74 1HB ASN 11 1HB ASN 11 12.366 9.387 -11.957 75 2HB ASN 11 2HB ASN 11 13.266 8.049 -12.661 76 1HD2 ASN 11 1HD2 ASN 11 10.232 9.117 -14.737 77 2HD2 ASN 11 2HD2 ASN 11 11.518 10.011 -13.964 78 H ILE 12 H ILE 12 12.537 9.561 -9.380 79 HA ILE 12 HA ILE 12 15.313 9.017 -8.959 80 HB ILE 12 HB ILE 12 13.869 11.249 -8.767 81 1HG1 ILE 12 1HG1 ILE 12 16.239 11.257 -8.939 82 2HG1 ILE 12 2HG1 ILE 12 15.785 12.274 -7.571 83 1HG2 ILE 12 1HG2 ILE 12 14.131 10.474 -5.836 84 2HG2 ILE 12 2HG2 ILE 12 13.670 12.050 -6.495 85 3HG2 ILE 12 3HG2 ILE 12 12.630 10.653 -6.763 86 1HD1 ILE 12 1HD1 ILE 12 16.345 10.265 -6.049 87 2HD1 ILE 12 2HD1 ILE 12 17.030 9.490 -7.492 88 3HD1 ILE 12 3HD1 ILE 12 17.709 11.002 -6.904 89 H TYR 13 H TYR 13 12.377 8.536 -6.967 90 HA TYR 13 HA TYR 13 13.453 7.459 -4.670 91 1HB TYR 13 1HB TYR 13 11.073 8.013 -5.041 92 2HB TYR 13 2HB TYR 13 10.939 6.750 -6.254 93 HD1 TYR 13 HD1 TYR 13 9.565 5.014 -5.499 94 HD2 TYR 13 HD2 TYR 13 12.204 6.979 -2.730 95 HE1 TYR 13 HE1 TYR 13 8.734 3.566 -3.686 96 HE2 TYR 13 HE2 TYR 13 11.417 5.502 -0.917 97 HH TYR 13 HH TYR 13 10.043 3.759 -0.338 98 H ASN 14 H ASN 14 12.651 5.888 -7.771 99 HA ASN 14 HA ASN 14 13.453 3.324 -6.933 100 1HB ASN 14 1HB ASN 14 12.942 4.640 -9.633 101 2HB ASN 14 2HB ASN 14 13.513 2.993 -9.563 102 1HD2 ASN 14 1HD2 ASN 14 9.693 3.243 -9.637 103 2HD2 ASN 14 2HD2 ASN 14 10.889 4.228 -10.448 104 H ALA 15 H ALA 15 15.216 5.954 -8.483 105 HA ALA 15 HA ALA 15 17.522 4.417 -9.252 106 1HB ALA 15 1HB ALA 15 18.634 6.587 -9.467 107 2HB ALA 15 2HB ALA 15 17.020 6.629 -10.204 108 3HB ALA 15 3HB ALA 15 17.296 7.386 -8.622 109 H CYS 16 H CYS 16 16.636 6.288 -6.354 110 HA CYS 16 HA CYS 16 19.012 6.013 -4.850 111 1HB CYS 16 1HB CYS 16 17.126 7.574 -4.375 112 2HB CYS 16 2HB CYS 16 16.111 6.223 -3.986 113 H ARG 17 H ARG 17 15.947 4.058 -4.786 114 HA ARG 17 HA ARG 17 16.795 2.101 -3.011 115 1HB ARG 17 1HB ARG 17 14.894 1.984 -5.381 116 2HB ARG 17 2HB ARG 17 14.984 0.719 -4.158 117 1HG ARG 17 1HG ARG 17 14.606 3.543 -3.141 118 2HG ARG 17 2HG ARG 17 13.260 2.819 -4.031 119 1HD ARG 17 1HD ARG 17 13.187 2.478 -1.563 120 2HD ARG 17 2HD ARG 17 13.109 1.007 -2.554 121 HE ARG 17 HE ARG 17 15.666 1.979 -1.337 122 1HH1 ARG 17 1HH1 ARG 17 16.798 0.538 -0.040 123 2HH1 ARG 17 2HH1 ARG 17 16.034 -0.959 0.460 124 1HH2 ARG 17 1HH2 ARG 17 13.131 -0.555 -1.425 125 2HH2 ARG 17 2HH2 ARG 17 14.053 -1.627 -0.406 126 H LEU 18 H LEU 18 17.155 2.104 -6.588 127 HA LEU 18 HA LEU 18 18.310 -0.474 -6.810 128 1HB LEU 18 1HB LEU 18 18.483 2.031 -8.519 129 2HB LEU 18 2HB LEU 18 19.223 0.505 -9.005 130 HG LEU 18 HG LEU 18 16.288 0.679 -8.288 131 1HD1 LEU 18 1HD1 LEU 18 16.718 2.279 -10.128 132 2HD1 LEU 18 2HD1 LEU 18 17.557 1.010 -11.043 133 3HD1 LEU 18 3HD1 LEU 18 15.816 0.873 -10.714 134 1HD2 LEU 18 1HD2 LEU 18 17.887 -1.296 -9.978 135 2HD2 LEU 18 2HD2 LEU 18 17.217 -1.612 -8.365 136 3HD2 LEU 18 3HD2 LEU 18 16.131 -1.339 -9.730 137 H THR 19 H THR 19 19.786 2.705 -6.157 138 HA THR 19 HA THR 19 22.487 1.544 -6.020 139 HB THR 19 HB THR 19 23.128 3.818 -5.230 140 HG1 THR 19 HG1 THR 19 20.859 4.199 -4.436 141 1HG2 THR 19 1HG2 THR 19 22.739 4.936 -7.371 142 2HG2 THR 19 2HG2 THR 19 23.194 3.240 -7.620 143 3HG2 THR 19 3HG2 THR 19 21.500 3.743 -7.805 144 H GLY 20 H GLY 20 20.325 0.401 -4.269 145 1HA GLY 20 1HA GLY 20 20.343 -0.701 -2.324 146 2HA GLY 20 2HA GLY 20 22.072 -0.346 -2.236 147 H ALA 21 H ALA 21 19.744 2.318 -2.232 148 HA ALA 21 HA ALA 21 20.535 2.936 0.563 149 1HB ALA 21 1HB ALA 21 19.592 5.189 0.021 150 2HB ALA 21 2HB ALA 21 20.954 4.684 -1.002 151 3HB ALA 21 3HB ALA 21 19.304 4.592 -1.627 152 HA PRO 22 HA PRO 22 16.781 1.401 2.043 153 1HB PRO 22 1HB PRO 22 16.435 2.633 4.450 154 2HB PRO 22 2HB PRO 22 17.817 1.564 4.089 155 1HG PRO 22 1HG PRO 22 17.736 4.581 3.884 156 2HG PRO 22 2HG PRO 22 18.924 3.590 4.782 157 1HD PRO 22 1HD PRO 22 19.465 4.468 2.278 158 2HD PRO 22 2HD PRO 22 19.910 2.804 2.766 159 H ARG 23 H ARG 23 14.545 1.684 2.457 160 HA ARG 23 HA ARG 23 13.158 3.262 0.722 161 1HB ARG 23 1HB ARG 23 12.243 2.007 3.334 162 2HB ARG 23 2HB ARG 23 11.168 2.684 2.098 163 1HG ARG 23 1HG ARG 23 12.043 1.079 0.443 164 2HG ARG 23 2HG ARG 23 13.145 0.389 1.663 165 1HD ARG 23 1HD ARG 23 11.240 -0.242 3.076 166 2HD ARG 23 2HD ARG 23 10.138 0.541 1.928 167 HE ARG 23 HE ARG 23 11.691 -1.419 0.555 168 1HH1 ARG 23 1HH1 ARG 23 10.753 -3.435 -0.031 169 2HH1 ARG 23 2HH1 ARG 23 9.326 -4.008 0.789 170 1HH2 ARG 23 1HH2 ARG 23 9.059 -1.207 2.929 171 2HH2 ARG 23 2HH2 ARG 23 8.356 -2.738 2.476 172 HA PRO 24 HA PRO 24 11.776 6.430 4.047 173 1HB PRO 24 1HB PRO 24 13.447 6.950 6.207 174 2HB PRO 24 2HB PRO 24 12.045 5.845 6.223 175 1HG PRO 24 1HG PRO 24 14.951 5.123 5.756 176 2HG PRO 24 2HG PRO 24 13.793 4.354 6.884 177 1HD PRO 24 1HD PRO 24 14.224 3.235 4.515 178 2HD PRO 24 2HD PRO 24 12.543 3.418 5.077 179 H THR 25 H THR 25 15.378 6.137 3.792 180 HA THR 25 HA THR 25 15.865 8.924 3.592 181 HB THR 25 HB THR 25 17.471 6.593 2.452 182 HG1 THR 25 HG1 THR 25 17.554 7.907 4.966 183 1HG2 THR 25 1HG2 THR 25 19.410 8.115 2.759 184 2HG2 THR 25 2HG2 THR 25 18.270 8.751 1.563 185 3HG2 THR 25 3HG2 THR 25 18.304 9.432 3.205 186 H CYS 26 H CYS 26 15.333 6.433 1.092 187 HA CYS 26 HA CYS 26 15.633 8.187 -1.160 188 1HB CYS 26 1HB CYS 26 14.184 5.520 -0.877 189 2HB CYS 26 2HB CYS 26 14.567 6.303 -2.381 190 H ALA 27 H ALA 27 12.895 7.176 0.854 191 HA ALA 27 HA ALA 27 10.804 8.170 -0.763 192 1HB ALA 27 1HB ALA 27 10.901 7.850 2.259 193 2HB ALA 27 2HB ALA 27 9.448 8.066 1.273 194 3HB ALA 27 3HB ALA 27 10.420 6.606 1.082 195 H LYS 28 H LYS 28 12.916 9.774 1.662 196 HA LYS 28 HA LYS 28 11.377 12.307 1.335 197 1HB LYS 28 1HB LYS 28 13.700 11.675 3.136 198 2HB LYS 28 2HB LYS 28 12.718 13.151 3.142 199 1HG LYS 28 1HG LYS 28 11.714 10.331 3.755 200 2HG LYS 28 2HG LYS 28 12.095 11.603 4.909 201 1HD LYS 28 1HD LYS 28 9.833 11.684 4.857 202 2HD LYS 28 2HD LYS 28 10.234 12.996 3.744 203 1HE LYS 28 1HE LYS 28 9.465 11.713 1.854 204 2HE LYS 28 2HE LYS 28 9.669 10.175 2.712 205 1HZ LYS 28 1HZ LYS 28 7.645 12.220 3.256 206 2HZ LYS 28 2HZ LYS 28 7.434 10.806 2.428 207 3HZ LYS 28 3HZ LYS 28 7.794 10.774 4.041 208 H LEU 29 H LEU 29 14.390 10.910 0.164 209 HA LEU 29 HA LEU 29 15.417 13.326 -0.959 210 1HB LEU 29 1HB LEU 29 16.689 11.225 -0.868 211 2HB LEU 29 2HB LEU 29 15.518 10.448 -1.938 212 HG LEU 29 HG LEU 29 16.146 11.974 -3.782 213 1HD1 LEU 29 1HD1 LEU 29 16.897 13.966 -2.553 214 2HD1 LEU 29 2HD1 LEU 29 18.210 13.036 -1.796 215 3HD1 LEU 29 3HD1 LEU 29 18.222 13.351 -3.544 216 1HD2 LEU 29 1HD2 LEU 29 18.366 10.999 -4.187 217 2HD2 LEU 29 2HD2 LEU 29 18.498 10.549 -2.473 218 3HD2 LEU 29 3HD2 LEU 29 17.258 9.798 -3.500 219 H SER 30 H SER 30 12.970 10.939 -2.038 220 HA SER 30 HA SER 30 12.408 12.326 -4.527 221 1HB SER 30 1HB SER 30 10.830 10.496 -4.839 222 2HB SER 30 2HB SER 30 12.411 9.872 -4.324 223 HG SER 30 HG SER 30 11.585 9.703 -2.212 224 H GLY 31 H GLY 31 10.908 12.139 -1.272 225 1HA GLY 31 1HA GLY 31 9.144 13.389 -0.445 226 2HA GLY 31 2HA GLY 31 8.770 14.032 -2.047 227 H CYS 32 H CYS 32 9.317 10.569 -1.951 228 HA CYS 32 HA CYS 32 6.474 9.955 -2.238 229 1HB CYS 32 1HB CYS 32 8.842 8.095 -2.074 230 2HB CYS 32 2HB CYS 32 7.201 7.679 -2.540 231 H LYS 33 H LYS 33 5.816 7.877 -0.832 232 HA LYS 33 HA LYS 33 6.969 7.639 1.812 233 1HB LYS 33 1HB LYS 33 4.848 8.211 2.983 234 2HB LYS 33 2HB LYS 33 5.593 9.590 2.207 235 1HG LYS 33 1HG LYS 33 3.897 8.585 0.187 236 2HG LYS 33 2HG LYS 33 3.032 8.207 1.644 237 1HD LYS 33 1HD LYS 33 2.313 10.359 0.828 238 2HD LYS 33 2HD LYS 33 3.231 10.644 2.313 239 1HE LYS 33 1HE LYS 33 3.840 12.297 0.611 240 2HE LYS 33 2HE LYS 33 5.237 11.272 0.914 241 1HZ LYS 33 1HZ LYS 33 3.394 11.065 -1.346 242 2HZ LYS 33 2HZ LYS 33 4.950 11.616 -1.375 243 3HZ LYS 33 3HZ LYS 33 4.634 10.026 -1.073 244 H ILE 34 H ILE 34 5.504 6.005 3.052 245 HA ILE 34 HA ILE 34 4.427 3.930 1.188 246 HB ILE 34 HB ILE 34 6.361 3.768 3.522 247 1HG1 ILE 34 1HG1 ILE 34 7.073 4.301 1.021 248 2HG1 ILE 34 2HG1 ILE 34 7.995 3.220 2.037 249 1HG2 ILE 34 1HG2 ILE 34 4.894 1.486 2.146 250 2HG2 ILE 34 2HG2 ILE 34 6.351 1.288 3.153 251 3HG2 ILE 34 3HG2 ILE 34 4.866 1.925 3.862 252 1HD1 ILE 34 1HD1 ILE 34 7.138 1.283 0.893 253 2HD1 ILE 34 2HD1 ILE 34 5.834 2.226 0.147 254 3HD1 ILE 34 3HD1 ILE 34 7.510 2.472 -0.365 255 H ILE 35 H ILE 35 2.460 3.153 1.779 256 HA ILE 35 HA ILE 35 1.488 3.641 4.570 257 HB ILE 35 HB ILE 35 -0.708 3.876 3.702 258 1HG1 ILE 35 1HG1 ILE 35 0.478 3.809 0.902 259 2HG1 ILE 35 2HG1 ILE 35 -0.402 2.477 1.643 260 1HG2 ILE 35 1HG2 ILE 35 0.799 5.868 3.990 261 2HG2 ILE 35 2HG2 ILE 35 1.137 5.818 2.247 262 3HG2 ILE 35 3HG2 ILE 35 -0.509 6.127 2.835 263 1HD1 ILE 35 1HD1 ILE 35 -1.917 3.664 0.258 264 2HD1 ILE 35 2HD1 ILE 35 -2.379 3.949 1.952 265 3HD1 ILE 35 3HD1 ILE 35 -1.533 5.217 1.030 266 H SER 36 H SER 36 -0.190 2.082 5.245 267 HA SER 36 HA SER 36 0.412 -0.658 4.661 268 1HB SER 36 1HB SER 36 -1.907 0.707 6.104 269 2HB SER 36 2HB SER 36 -1.501 -1.015 6.165 270 HG SER 36 HG SER 36 -0.636 0.143 7.940 271 H GLY 37 H GLY 37 -1.941 1.727 3.614 272 1HA GLY 37 1HA GLY 37 -3.959 0.107 2.518 273 2HA GLY 37 2HA GLY 37 -3.600 1.769 2.043 274 H SER 38 H SER 38 -4.436 -0.643 0.471 275 HA SER 38 HA SER 38 -2.348 -1.486 -1.253 276 1HB SER 38 1HB SER 38 -5.365 -1.289 -1.690 277 2HB SER 38 2HB SER 38 -4.222 -2.285 -2.607 278 HG SER 38 HG SER 38 -3.743 -3.369 -0.634 279 H THR 39 H THR 39 -4.774 1.202 -1.412 280 HA THR 39 HA THR 39 -3.508 2.299 -3.848 281 HB THR 39 HB THR 39 -5.786 3.511 -3.758 282 HG1 THR 39 HG1 THR 39 -7.388 2.401 -2.611 283 1HG2 THR 39 1HG2 THR 39 -5.764 0.487 -4.186 284 2HG2 THR 39 2HG2 THR 39 -6.965 1.620 -4.840 285 3HG2 THR 39 3HG2 THR 39 -5.281 1.703 -5.389 286 H CYS 40 H CYS 40 -2.588 4.270 -3.754 287 HA CYS 40 HA CYS 40 -2.355 5.786 -1.277 288 1HB CYS 40 1HB CYS 40 -1.565 6.350 -4.159 289 2HB CYS 40 2HB CYS 40 -0.990 7.241 -2.757 290 HA PRO 41 HA PRO 41 -5.718 8.619 -2.412 291 1HB PRO 41 1HB PRO 41 -4.847 11.052 -1.528 292 2HB PRO 41 2HB PRO 41 -5.291 9.734 -0.407 293 1HG PRO 41 1HG PRO 41 -2.512 10.416 -1.422 294 2HG PRO 41 2HG PRO 41 -3.040 10.248 0.279 295 1HD PRO 41 1HD PRO 41 -1.878 8.188 -1.012 296 2HD PRO 41 2HD PRO 41 -3.282 7.878 0.041 297 H SER 42 H SER 42 -6.093 10.587 -3.749 298 HA SER 42 HA SER 42 -4.839 10.442 -6.281 299 1HB SER 42 1HB SER 42 -6.532 12.686 -5.107 300 2HB SER 42 2HB SER 42 -6.252 12.358 -6.829 301 HG SER 42 HG SER 42 -7.247 10.304 -6.480 302 H ASP 43 H ASP 43 -3.806 12.088 -3.424 303 HA ASP 43 HA ASP 43 -2.330 14.239 -4.593 304 1HB ASP 43 1HB ASP 43 -3.114 14.014 -2.216 305 2HB ASP 43 2HB ASP 43 -1.896 12.761 -1.961 306 H TYR 44 H TYR 44 -1.523 10.837 -3.666 307 HA TYR 44 HA TYR 44 1.107 11.103 -5.062 308 1HB TYR 44 1HB TYR 44 0.570 9.541 -2.544 309 2HB TYR 44 2HB TYR 44 2.121 9.897 -3.294 310 HD1 TYR 44 HD1 TYR 44 -0.020 10.798 -0.654 311 HD2 TYR 44 HD2 TYR 44 2.583 12.554 -3.608 312 HE1 TYR 44 HE1 TYR 44 0.320 12.765 0.808 313 HE2 TYR 44 HE2 TYR 44 2.902 14.529 -2.155 314 HH TYR 44 HH TYR 44 2.314 15.564 -0.176 315 HA PRO 45 HA PRO 45 -1.665 7.561 -6.351 316 1HB PRO 45 1HB PRO 45 -1.801 7.938 -9.068 317 2HB PRO 45 2HB PRO 45 -2.818 8.800 -7.879 318 1HG PRO 45 1HG PRO 45 -0.248 9.786 -9.143 319 2HG PRO 45 2HG PRO 45 -1.809 10.646 -9.018 320 1HD PRO 45 1HD PRO 45 0.183 11.084 -7.232 321 2HD PRO 45 2HD PRO 45 -1.523 10.984 -6.704 322 H LYS 46 H LYS 46 1.566 8.458 -7.595 323 HA LYS 46 HA LYS 46 1.869 6.049 -9.190 324 1HB LYS 46 1HB LYS 46 3.708 8.287 -8.322 325 2HB LYS 46 2HB LYS 46 4.367 6.793 -8.998 326 1HG LYS 46 1HG LYS 46 4.148 8.424 -10.733 327 2HG LYS 46 2HG LYS 46 3.048 7.075 -11.046 328 1HD LYS 46 1HD LYS 46 1.143 8.371 -10.290 329 2HD LYS 46 2HD LYS 46 2.201 9.689 -9.722 330 1HE LYS 46 1HE LYS 46 2.930 10.060 -12.089 331 2HE LYS 46 2HE LYS 46 1.824 8.777 -12.614 332 1HZ LYS 46 1HZ LYS 46 1.052 11.266 -11.257 333 2HZ LYS 46 2HZ LYS 46 0.878 10.946 -12.865 334 3HZ LYS 46 3HZ LYS 46 0.018 10.081 -11.756 Start of MODEL 9 1 1H LYS 1 1H LYS 1 1.812 0.123 1.013 2 2H LYS 1 2H LYS 1 0.770 1.360 0.779 3 3H LYS 1 3H LYS 1 0.324 -0.157 0.337 4 HA LYS 1 HA LYS 1 2.163 -0.174 -1.261 5 1HB LYS 1 1HB LYS 1 -0.169 0.220 -1.914 6 2HB LYS 1 2HB LYS 1 0.025 1.961 -1.647 7 1HG LYS 1 1HG LYS 1 1.695 2.056 -3.430 8 2HG LYS 1 2HG LYS 1 1.613 0.304 -3.671 9 1HD LYS 1 1HD LYS 1 -0.663 0.485 -4.497 10 2HD LYS 1 2HD LYS 1 -0.752 2.198 -4.058 11 1HE LYS 1 1HE LYS 1 1.242 1.061 -6.074 12 2HE LYS 1 2HE LYS 1 -0.328 1.750 -6.518 13 1HZ LYS 1 1HZ LYS 1 0.340 3.830 -5.658 14 2HZ LYS 1 2HZ LYS 1 1.776 3.242 -5.100 15 3HZ LYS 1 3HZ LYS 1 1.495 3.329 -6.710 16 H SER 2 H SER 2 3.689 1.111 -2.488 17 HA SER 2 HA SER 2 4.879 3.372 -1.042 18 1HB SER 2 1HB SER 2 5.686 2.206 -3.729 19 2HB SER 2 2HB SER 2 6.673 3.188 -2.630 20 HG SER 2 HG SER 2 6.323 1.343 -1.122 21 H CYS 3 H CYS 3 4.732 5.448 -1.617 22 HA CYS 3 HA CYS 3 2.652 6.148 -3.653 23 1HB CYS 3 1HB CYS 3 2.958 6.727 -0.691 24 2HB CYS 3 2HB CYS 3 1.839 7.605 -1.730 25 H CYS 4 H CYS 4 3.617 7.434 -5.089 26 HA CYS 4 HA CYS 4 5.468 9.570 -4.152 27 1HB CYS 4 1HB CYS 4 5.392 7.983 -6.734 28 2HB CYS 4 2HB CYS 4 6.398 9.390 -6.489 29 HA PRO 5 HA PRO 5 2.616 12.548 -5.793 30 1HB PRO 5 1HB PRO 5 4.292 14.560 -6.594 31 2HB PRO 5 2HB PRO 5 3.949 14.181 -4.896 32 1HG PRO 5 1HG PRO 5 6.337 13.257 -6.507 33 2HG PRO 5 2HG PRO 5 6.320 13.995 -4.879 34 1HD PRO 5 1HD PRO 5 6.476 11.332 -5.204 35 2HD PRO 5 2HD PRO 5 5.445 12.007 -3.909 36 H ASN 6 H ASN 6 5.430 11.719 -7.872 37 HA ASN 6 HA ASN 6 3.735 11.682 -10.262 38 1HB ASN 6 1HB ASN 6 5.168 13.317 -11.471 39 2HB ASN 6 2HB ASN 6 4.161 14.015 -10.205 40 1HD2 ASN 6 1HD2 ASN 6 6.809 15.108 -8.170 41 2HD2 ASN 6 2HD2 ASN 6 5.089 15.006 -8.464 42 H THR 7 H THR 7 5.080 11.213 -12.208 43 HA THR 7 HA THR 7 6.403 8.765 -11.878 44 HB THR 7 HB THR 7 6.522 10.678 -14.247 45 HG1 THR 7 HG1 THR 7 4.621 8.675 -13.607 46 1HG2 THR 7 1HG2 THR 7 6.721 7.633 -14.060 47 2HG2 THR 7 2HG2 THR 7 6.661 8.576 -15.564 48 3HG2 THR 7 3HG2 THR 7 8.049 8.739 -14.474 49 H THR 8 H THR 8 7.704 12.107 -12.244 50 HA THR 8 HA THR 8 10.410 11.312 -12.614 51 HB THR 8 HB THR 8 9.587 13.935 -11.368 52 HG1 THR 8 HG1 THR 8 9.428 13.156 -14.091 53 1HG2 THR 8 1HG2 THR 8 11.724 13.111 -13.393 54 2HG2 THR 8 2HG2 THR 8 11.463 14.748 -12.758 55 3HG2 THR 8 3HG2 THR 8 12.013 13.453 -11.673 56 H GLY 9 H GLY 9 8.473 11.973 -9.734 57 1HA GLY 9 1HA GLY 9 10.585 11.767 -7.790 58 2HA GLY 9 2HA GLY 9 8.848 11.614 -7.503 59 H ARG 10 H ARG 10 8.160 9.416 -9.106 60 HA ARG 10 HA ARG 10 8.997 7.113 -7.696 61 1HB ARG 10 1HB ARG 10 6.921 7.323 -8.978 62 2HB ARG 10 2HB ARG 10 7.824 7.504 -10.478 63 1HG ARG 10 1HG ARG 10 6.901 5.245 -10.198 64 2HG ARG 10 2HG ARG 10 8.653 5.276 -10.400 65 1HD ARG 10 1HD ARG 10 7.994 3.701 -8.686 66 2HD ARG 10 2HD ARG 10 8.947 4.978 -7.939 67 HE ARG 10 HE ARG 10 6.292 5.784 -7.679 68 1HH1 ARG 10 1HH1 ARG 10 4.871 5.206 -5.978 69 2HH1 ARG 10 2HH1 ARG 10 5.189 3.810 -5.004 70 1HH2 ARG 10 1HH2 ARG 10 8.214 2.978 -6.661 71 2HH2 ARG 10 2HH2 ARG 10 7.129 2.546 -5.367 72 H ASN 11 H ASN 11 10.329 8.696 -10.605 73 HA ASN 11 HA ASN 11 12.129 6.536 -11.242 74 1HB ASN 11 1HB ASN 11 12.371 9.491 -11.942 75 2HB ASN 11 2HB ASN 11 13.272 8.164 -12.664 76 1HD2 ASN 11 1HD2 ASN 11 10.236 9.256 -14.724 77 2HD2 ASN 11 2HD2 ASN 11 11.523 10.140 -13.939 78 H ILE 12 H ILE 12 12.545 9.624 -9.359 79 HA ILE 12 HA ILE 12 15.323 9.074 -8.953 80 HB ILE 12 HB ILE 12 13.880 11.304 -8.740 81 1HG1 ILE 12 1HG1 ILE 12 16.250 11.315 -8.923 82 2HG1 ILE 12 2HG1 ILE 12 15.801 12.321 -7.545 83 1HG2 ILE 12 1HG2 ILE 12 14.154 10.507 -5.817 84 2HG2 ILE 12 2HG2 ILE 12 13.691 12.087 -6.464 85 3HG2 ILE 12 3HG2 ILE 12 12.649 10.692 -6.739 86 1HD1 ILE 12 1HD1 ILE 12 16.367 10.302 -6.041 87 2HD1 ILE 12 2HD1 ILE 12 17.046 9.538 -7.493 88 3HD1 ILE 12 3HD1 ILE 12 17.728 11.045 -6.896 89 H TYR 13 H TYR 13 12.393 8.572 -6.954 90 HA TYR 13 HA TYR 13 13.474 7.459 -4.673 91 1HB TYR 13 1HB TYR 13 11.098 8.010 -5.028 92 2HB TYR 13 2HB TYR 13 10.958 6.769 -6.262 93 HD1 TYR 13 HD1 TYR 13 9.842 4.815 -5.599 94 HD2 TYR 13 HD2 TYR 13 12.012 7.115 -2.686 95 HE1 TYR 13 HE1 TYR 13 8.969 3.361 -3.809 96 HE2 TYR 13 HE2 TYR 13 11.182 5.639 -0.889 97 HH TYR 13 HH TYR 13 9.898 3.817 -0.364 98 H ASN 14 H ASN 14 12.672 5.941 -7.804 99 HA ASN 14 HA ASN 14 13.480 3.367 -7.009 100 1HB ASN 14 1HB ASN 14 12.960 4.719 -9.689 101 2HB ASN 14 2HB ASN 14 13.527 3.070 -9.640 102 1HD2 ASN 14 1HD2 ASN 14 9.709 3.323 -9.704 103 2HD2 ASN 14 2HD2 ASN 14 10.906 4.310 -10.510 104 H ALA 15 H ALA 15 15.237 6.022 -8.522 105 HA ALA 15 HA ALA 15 17.545 4.498 -9.315 106 1HB ALA 15 1HB ALA 15 18.657 6.671 -9.493 107 2HB ALA 15 2HB ALA 15 17.044 6.724 -10.231 108 3HB ALA 15 3HB ALA 15 17.318 7.455 -8.636 109 H CYS 16 H CYS 16 16.661 6.329 -6.394 110 HA CYS 16 HA CYS 16 19.027 6.022 -4.881 111 1HB CYS 16 1HB CYS 16 17.149 7.584 -4.400 112 2HB CYS 16 2HB CYS 16 16.121 6.234 -4.038 113 H ARG 17 H ARG 17 15.959 4.073 -4.868 114 HA ARG 17 HA ARG 17 16.787 2.082 -3.122 115 1HB ARG 17 1HB ARG 17 14.908 2.006 -5.511 116 2HB ARG 17 2HB ARG 17 14.984 0.724 -4.306 117 1HG ARG 17 1HG ARG 17 14.608 3.528 -3.242 118 2HG ARG 17 2HG ARG 17 13.267 2.834 -4.163 119 1HD ARG 17 1HD ARG 17 13.184 2.457 -1.696 120 2HD ARG 17 2HD ARG 17 13.066 1.009 -2.715 121 HE ARG 17 HE ARG 17 15.638 1.902 -1.463 122 1HH1 ARG 17 1HH1 ARG 17 16.747 0.408 -0.217 123 2HH1 ARG 17 2HH1 ARG 17 15.966 -1.099 0.226 124 1HH2 ARG 17 1HH2 ARG 17 13.074 -0.601 -1.654 125 2HH2 ARG 17 2HH2 ARG 17 13.976 -1.715 -0.666 126 H LEU 18 H LEU 18 17.182 2.150 -6.695 127 HA LEU 18 HA LEU 18 18.333 -0.429 -6.949 128 1HB LEU 18 1HB LEU 18 18.521 2.101 -8.619 129 2HB LEU 18 2HB LEU 18 19.265 0.583 -9.121 130 HG LEU 18 HG LEU 18 16.324 0.744 -8.424 131 1HD1 LEU 18 1HD1 LEU 18 16.765 2.375 -10.234 132 2HD1 LEU 18 2HD1 LEU 18 17.614 1.122 -11.164 133 3HD1 LEU 18 3HD1 LEU 18 15.870 0.977 -10.850 134 1HD2 LEU 18 1HD2 LEU 18 17.257 -1.544 -8.532 135 2HD2 LEU 18 2HD2 LEU 18 16.180 -1.250 -9.899 136 3HD2 LEU 18 3HD2 LEU 18 17.938 -1.201 -10.135 137 H THR 19 H THR 19 19.803 2.736 -6.227 138 HA THR 19 HA THR 19 22.502 1.570 -6.081 139 HB THR 19 HB THR 19 23.137 3.830 -5.249 140 HG1 THR 19 HG1 THR 19 20.863 4.205 -4.473 141 1HG2 THR 19 1HG2 THR 19 22.775 4.982 -7.377 142 2HG2 THR 19 2HG2 THR 19 23.227 3.288 -7.648 143 3HG2 THR 19 3HG2 THR 19 21.537 3.800 -7.842 144 H GLY 20 H GLY 20 20.326 0.395 -4.380 145 1HA GLY 20 1HA GLY 20 20.333 -0.752 -2.461 146 2HA GLY 20 2HA GLY 20 22.056 -0.379 -2.339 147 H ALA 21 H ALA 21 19.712 2.270 -2.310 148 HA ALA 21 HA ALA 21 20.450 2.821 0.511 149 1HB ALA 21 1HB ALA 21 19.511 5.080 0.013 150 2HB ALA 21 2HB ALA 21 20.878 4.606 -1.018 151 3HB ALA 21 3HB ALA 21 19.229 4.522 -1.650 152 HA PRO 22 HA PRO 22 16.634 1.266 1.881 153 1HB PRO 22 1HB PRO 22 16.274 2.431 4.317 154 2HB PRO 22 2HB PRO 22 17.645 1.351 3.950 155 1HG PRO 22 1HG PRO 22 17.616 4.375 3.830 156 2HG PRO 22 2HG PRO 22 18.770 3.339 4.722 157 1HD PRO 22 1HD PRO 22 19.369 4.279 2.253 158 2HD PRO 22 2HD PRO 22 19.786 2.597 2.705 159 H ARG 23 H ARG 23 14.381 1.596 2.200 160 HA ARG 23 HA ARG 23 13.130 3.336 0.527 161 1HB ARG 23 1HB ARG 23 12.112 1.863 2.982 162 2HB ARG 23 2HB ARG 23 11.061 2.768 1.874 163 1HG ARG 23 1HG ARG 23 11.833 1.410 -0.013 164 2HG ARG 23 2HG ARG 23 12.850 0.444 1.093 165 1HD ARG 23 1HD ARG 23 10.926 -0.281 2.348 166 2HD ARG 23 2HD ARG 23 9.879 0.875 1.540 167 HE ARG 23 HE ARG 23 10.856 -1.698 0.569 168 1HH1 ARG 23 1HH1 ARG 23 9.739 -2.616 -1.228 169 2HH1 ARG 23 2HH1 ARG 23 8.756 -1.608 -2.257 170 1HH2 ARG 23 1HH2 ARG 23 9.354 1.368 -0.460 171 2HH2 ARG 23 2HH2 ARG 23 8.461 0.637 -1.764 172 HA PRO 24 HA PRO 24 11.718 6.316 4.012 173 1HB PRO 24 1HB PRO 24 13.386 6.675 6.215 174 2HB PRO 24 2HB PRO 24 11.944 5.625 6.156 175 1HG PRO 24 1HG PRO 24 14.827 4.823 5.691 176 2HG PRO 24 2HG PRO 24 13.621 4.031 6.751 177 1HD PRO 24 1HD PRO 24 14.068 3.038 4.331 178 2HD PRO 24 2HD PRO 24 12.379 3.241 4.859 179 H THR 25 H THR 25 15.307 5.971 3.703 180 HA THR 25 HA THR 25 15.833 8.773 3.647 181 HB THR 25 HB THR 25 17.407 6.467 2.412 182 HG1 THR 25 HG1 THR 25 17.515 7.687 4.972 183 1HG2 THR 25 1HG2 THR 25 18.223 8.649 1.597 184 2HG2 THR 25 2HG2 THR 25 18.274 9.269 3.263 185 3HG2 THR 25 3HG2 THR 25 19.363 7.958 2.762 186 H CYS 26 H CYS 26 15.295 6.383 1.048 187 HA CYS 26 HA CYS 26 15.636 8.207 -1.133 188 1HB CYS 26 1HB CYS 26 14.118 5.569 -0.984 189 2HB CYS 26 2HB CYS 26 14.569 6.408 -2.443 190 H ALA 27 H ALA 27 12.872 7.203 0.835 191 HA ALA 27 HA ALA 27 10.786 8.248 -0.741 192 1HB ALA 27 1HB ALA 27 9.454 8.158 1.309 193 2HB ALA 27 2HB ALA 27 10.408 6.686 1.120 194 3HB ALA 27 3HB ALA 27 10.916 7.932 2.280 195 H LYS 28 H LYS 28 12.973 9.805 1.644 196 HA LYS 28 HA LYS 28 11.460 12.362 1.361 197 1HB LYS 28 1HB LYS 28 13.783 11.683 3.141 198 2HB LYS 28 2HB LYS 28 12.821 13.171 3.165 199 1HG LYS 28 1HG LYS 28 11.780 10.358 3.751 200 2HG LYS 28 2HG LYS 28 12.189 11.607 4.920 201 1HD LYS 28 1HD LYS 28 9.929 11.725 4.888 202 2HD LYS 28 2HD LYS 28 10.342 13.046 3.791 203 1HE LYS 28 1HE LYS 28 9.536 11.805 1.890 204 2HE LYS 28 2HE LYS 28 9.720 10.251 2.725 205 1HZ LYS 28 1HZ LYS 28 7.734 12.322 3.311 206 2HZ LYS 28 2HZ LYS 28 7.493 10.920 2.471 207 3HZ LYS 28 3HZ LYS 28 7.867 10.865 4.079 208 H LEU 29 H LEU 29 14.432 10.917 0.151 209 HA LEU 29 HA LEU 29 15.483 13.327 -0.971 210 1HB LEU 29 1HB LEU 29 16.728 11.207 -0.891 211 2HB LEU 29 2HB LEU 29 15.545 10.453 -1.966 212 HG LEU 29 HG LEU 29 16.188 11.984 -3.799 213 1HD1 LEU 29 1HD1 LEU 29 16.959 13.962 -2.563 214 2HD1 LEU 29 2HD1 LEU 29 18.263 13.015 -1.808 215 3HD1 LEU 29 3HD1 LEU 29 18.280 13.337 -3.554 216 1HD2 LEU 29 1HD2 LEU 29 18.399 10.990 -4.212 217 2HD2 LEU 29 2HD2 LEU 29 18.529 10.530 -2.501 218 3HD2 LEU 29 3HD2 LEU 29 17.281 9.796 -3.530 219 H SER 30 H SER 30 13.006 10.967 -2.041 220 HA SER 30 HA SER 30 12.442 12.361 -4.522 221 1HB SER 30 1HB SER 30 10.847 10.537 -4.825 222 2HB SER 30 2HB SER 30 12.426 9.902 -4.316 223 HG SER 30 HG SER 30 11.610 9.754 -2.198 224 H GLY 31 H GLY 31 10.941 12.181 -1.267 225 1HA GLY 31 1HA GLY 31 9.174 13.433 -0.447 226 2HA GLY 31 2HA GLY 31 8.802 14.072 -2.050 227 H CYS 32 H CYS 32 9.354 10.603 -1.921 228 HA CYS 32 HA CYS 32 6.516 9.982 -2.214 229 1HB CYS 32 1HB CYS 32 8.861 8.112 -1.990 230 2HB CYS 32 2HB CYS 32 7.222 7.708 -2.466 231 H LYS 33 H LYS 33 5.829 7.956 -0.751 232 HA LYS 33 HA LYS 33 6.871 7.872 1.954 233 1HB LYS 33 1HB LYS 33 4.716 8.536 2.988 234 2HB LYS 33 2HB LYS 33 5.470 9.856 2.120 235 1HG LYS 33 1HG LYS 33 3.866 8.659 0.136 236 2HG LYS 33 2HG LYS 33 2.953 8.371 1.584 237 1HD LYS 33 1HD LYS 33 2.219 10.418 0.547 238 2HD LYS 33 2HD LYS 33 3.028 10.847 2.062 239 1HE LYS 33 1HE LYS 33 3.673 12.394 0.268 240 2HE LYS 33 2HE LYS 33 5.089 11.466 0.751 241 1HZ LYS 33 1HZ LYS 33 4.668 10.031 -1.160 242 2HZ LYS 33 2HZ LYS 33 3.433 11.008 -1.617 243 3HZ LYS 33 3HZ LYS 33 4.973 11.601 -1.562 244 H ILE 34 H ILE 34 5.359 6.307 3.223 245 HA ILE 34 HA ILE 34 4.406 4.113 1.430 246 HB ILE 34 HB ILE 34 6.226 4.127 3.857 247 1HG1 ILE 34 1HG1 ILE 34 7.033 4.529 1.366 248 2HG1 ILE 34 2HG1 ILE 34 7.927 3.506 2.464 249 1HG2 ILE 34 1HG2 ILE 34 4.843 1.742 2.568 250 2HG2 ILE 34 2HG2 ILE 34 6.274 1.624 3.622 251 3HG2 ILE 34 3HG2 ILE 34 4.760 2.277 4.254 252 1HD1 ILE 34 1HD1 ILE 34 7.158 1.514 1.372 253 2HD1 ILE 34 2HD1 ILE 34 5.821 2.376 0.594 254 3HD1 ILE 34 3HD1 ILE 34 7.487 2.671 0.064 255 H ILE 35 H ILE 35 2.416 3.378 1.922 256 HA ILE 35 HA ILE 35 1.260 4.019 4.613 257 HB ILE 35 HB ILE 35 -0.849 4.280 3.618 258 1HG1 ILE 35 1HG1 ILE 35 0.431 3.802 0.902 259 2HG1 ILE 35 2HG1 ILE 35 -0.597 2.649 1.745 260 1HG2 ILE 35 1HG2 ILE 35 -0.533 6.413 2.541 261 2HG2 ILE 35 2HG2 ILE 35 0.749 6.223 3.738 262 3HG2 ILE 35 3HG2 ILE 35 1.106 5.978 2.016 263 1HD1 ILE 35 1HD1 ILE 35 -2.446 4.291 1.788 264 2HD1 ILE 35 2HD1 ILE 35 -1.465 5.373 0.766 265 3HD1 ILE 35 3HD1 ILE 35 -1.933 3.767 0.167 266 H SER 36 H SER 36 -0.552 2.601 5.190 267 HA SER 36 HA SER 36 0.077 -0.225 4.848 268 1HB SER 36 1HB SER 36 -0.663 0.806 7.015 269 2HB SER 36 2HB SER 36 -2.249 1.119 6.281 270 HG SER 36 HG SER 36 -2.317 -1.194 5.864 271 H GLY 37 H GLY 37 -2.062 2.125 3.435 272 1HA GLY 37 1HA GLY 37 -4.238 0.575 2.571 273 2HA GLY 37 2HA GLY 37 -3.649 2.055 1.803 274 H SER 38 H SER 38 -4.807 -0.079 0.352 275 HA SER 38 HA SER 38 -2.743 -1.738 -0.867 276 1HB SER 38 1HB SER 38 -4.736 -2.420 -2.239 277 2HB SER 38 2HB SER 38 -4.952 -2.663 -0.497 278 HG SER 38 HG SER 38 -6.012 -0.589 -2.116 279 H THR 39 H THR 39 -4.781 1.090 -1.494 280 HA THR 39 HA THR 39 -3.212 1.801 -3.927 281 HB THR 39 HB THR 39 -5.964 2.837 -3.230 282 HG1 THR 39 HG1 THR 39 -5.376 0.451 -4.659 283 1HG2 THR 39 1HG2 THR 39 -6.148 3.045 -5.668 284 2HG2 THR 39 2HG2 THR 39 -4.728 3.922 -5.060 285 3HG2 THR 39 3HG2 THR 39 -4.523 2.344 -5.861 286 H CYS 40 H CYS 40 -2.550 3.959 -4.082 287 HA CYS 40 HA CYS 40 -2.213 5.470 -1.582 288 1HB CYS 40 1HB CYS 40 -1.258 5.861 -4.442 289 2HB CYS 40 2HB CYS 40 -0.813 6.880 -3.080 290 HA PRO 41 HA PRO 41 -5.545 8.244 -2.687 291 1HB PRO 41 1HB PRO 41 -4.791 10.653 -1.660 292 2HB PRO 41 2HB PRO 41 -5.160 9.250 -0.618 293 1HG PRO 41 1HG PRO 41 -2.429 10.131 -1.602 294 2HG PRO 41 2HG PRO 41 -2.931 9.836 0.090 295 1HD PRO 41 1HD PRO 41 -1.678 7.922 -1.345 296 2HD PRO 41 2HD PRO 41 -3.042 7.477 -0.283 297 H SER 42 H SER 42 -6.002 10.288 -3.893 298 HA SER 42 HA SER 42 -4.736 10.316 -6.437 299 1HB SER 42 1HB SER 42 -7.112 10.938 -5.975 300 2HB SER 42 2HB SER 42 -6.542 12.429 -5.192 301 HG SER 42 HG SER 42 -5.465 12.868 -7.238 302 H ASP 43 H ASP 43 -3.867 11.906 -3.469 303 HA ASP 43 HA ASP 43 -2.422 14.135 -4.517 304 1HB ASP 43 1HB ASP 43 -2.102 12.568 -1.926 305 2HB ASP 43 2HB ASP 43 -1.416 14.164 -2.273 306 H TYR 44 H TYR 44 -1.537 10.719 -3.750 307 HA TYR 44 HA TYR 44 1.117 11.132 -5.042 308 1HB TYR 44 1HB TYR 44 0.651 9.549 -2.516 309 2HB TYR 44 2HB TYR 44 2.182 10.013 -3.246 310 HD1 TYR 44 HD1 TYR 44 -0.212 10.806 -0.733 311 HD2 TYR 44 HD2 TYR 44 2.580 12.649 -3.450 312 HE1 TYR 44 HE1 TYR 44 -0.242 12.860 0.635 313 HE2 TYR 44 HE2 TYR 44 2.544 14.713 -2.082 314 HH TYR 44 HH TYR 44 0.516 15.030 0.852 315 HA PRO 45 HA PRO 45 -1.569 7.485 -6.216 316 1HB PRO 45 1HB PRO 45 -1.816 7.801 -8.932 317 2HB PRO 45 2HB PRO 45 -2.804 8.666 -7.722 318 1HG PRO 45 1HG PRO 45 -0.306 9.677 -9.103 319 2HG PRO 45 2HG PRO 45 -1.880 10.507 -8.938 320 1HD PRO 45 1HD PRO 45 0.164 11.028 -7.232 321 2HD PRO 45 2HD PRO 45 -1.520 10.896 -6.645 322 H LYS 46 H LYS 46 1.611 8.406 -7.546 323 HA LYS 46 HA LYS 46 1.919 6.005 -9.149 324 1HB LYS 46 1HB LYS 46 3.752 8.245 -8.264 325 2HB LYS 46 2HB LYS 46 4.410 6.766 -8.972 326 1HG LYS 46 1HG LYS 46 4.172 8.435 -10.672 327 2HG LYS 46 2HG LYS 46 3.082 7.083 -11.006 328 1HD LYS 46 1HD LYS 46 1.170 8.346 -10.222 329 2HD LYS 46 2HD LYS 46 2.216 9.664 -9.629 330 1HE LYS 46 1HE LYS 46 2.936 10.091 -11.988 331 2HE LYS 46 2HE LYS 46 1.846 8.806 -12.539 332 1HZ LYS 46 1HZ LYS 46 0.023 10.070 -11.656 333 2HZ LYS 46 2HZ LYS 46 1.042 11.258 -11.134 334 3HZ LYS 46 3HZ LYS 46 0.872 10.967 -12.748 Start of MODEL 10 1 1H LYS 1 1H LYS 1 0.386 0.863 0.279 2 2H LYS 1 2H LYS 1 0.605 -0.726 -0.053 3 3H LYS 1 3H LYS 1 1.804 0.143 0.686 4 HA LYS 1 HA LYS 1 2.152 -0.336 -1.698 5 1HB LYS 1 1HB LYS 1 -0.180 -0.084 -2.339 6 2HB LYS 1 2HB LYS 1 -0.159 1.636 -1.903 7 1HG LYS 1 1HG LYS 1 1.437 2.084 -3.684 8 2HG LYS 1 2HG LYS 1 1.511 0.367 -4.123 9 1HD LYS 1 1HD LYS 1 -0.845 0.445 -4.810 10 2HD LYS 1 2HD LYS 1 -0.998 2.114 -4.234 11 1HE LYS 1 1HE LYS 1 0.947 1.245 -6.424 12 2HE LYS 1 2HE LYS 1 -0.669 1.898 -6.736 13 1HZ LYS 1 1HZ LYS 1 1.081 3.564 -6.872 14 2HZ LYS 1 2HZ LYS 1 -0.042 3.928 -5.730 15 3HZ LYS 1 3HZ LYS 1 1.440 3.354 -5.289 16 H SER 2 H SER 2 3.479 1.106 -2.958 17 HA SER 2 HA SER 2 4.709 3.293 -1.420 18 1HB SER 2 1HB SER 2 6.365 3.282 -3.248 19 2HB SER 2 2HB SER 2 6.203 1.697 -2.478 20 HG SER 2 HG SER 2 4.964 1.001 -4.203 21 H CYS 3 H CYS 3 4.679 5.363 -1.942 22 HA CYS 3 HA CYS 3 2.471 6.222 -3.772 23 1HB CYS 3 1HB CYS 3 3.010 6.652 -0.816 24 2HB CYS 3 2HB CYS 3 1.807 7.563 -1.726 25 H CYS 4 H CYS 4 3.511 7.434 -5.235 26 HA CYS 4 HA CYS 4 5.389 9.552 -4.309 27 1HB CYS 4 1HB CYS 4 5.267 7.952 -6.886 28 2HB CYS 4 2HB CYS 4 6.265 9.369 -6.674 29 HA PRO 5 HA PRO 5 2.582 12.567 -5.992 30 1HB PRO 5 1HB PRO 5 4.294 14.529 -6.838 31 2HB PRO 5 2HB PRO 5 3.950 14.193 -5.131 32 1HG PRO 5 1HG PRO 5 6.312 13.192 -6.732 33 2HG PRO 5 2HG PRO 5 6.318 13.961 -5.119 34 1HD PRO 5 1HD PRO 5 6.421 11.288 -5.393 35 2HD PRO 5 2HD PRO 5 5.416 12.008 -4.103 36 H ASN 6 H ASN 6 5.388 11.637 -8.043 37 HA ASN 6 HA ASN 6 3.687 11.470 -10.417 38 1HB ASN 6 1HB ASN 6 5.127 13.050 -11.716 39 2HB ASN 6 2HB ASN 6 4.099 13.805 -10.501 40 1HD2 ASN 6 1HD2 ASN 6 6.716 15.030 -8.495 41 2HD2 ASN 6 2HD2 ASN 6 4.998 14.887 -8.791 42 H THR 7 H THR 7 5.070 10.940 -12.351 43 HA THR 7 HA THR 7 6.452 8.524 -11.883 44 HB THR 7 HB THR 7 6.393 10.291 -14.358 45 HG1 THR 7 HG1 THR 7 4.345 9.626 -13.650 46 1HG2 THR 7 1HG2 THR 7 7.076 7.334 -13.998 47 2HG2 THR 7 2HG2 THR 7 6.811 8.143 -15.557 48 3HG2 THR 7 3HG2 THR 7 8.184 8.611 -14.544 49 H THR 8 H THR 8 7.658 11.887 -12.382 50 HA THR 8 HA THR 8 10.381 11.141 -12.735 51 HB THR 8 HB THR 8 9.511 13.781 -11.560 52 HG1 THR 8 HG1 THR 8 9.122 14.389 -13.722 53 1HG2 THR 8 1HG2 THR 8 11.372 14.594 -12.963 54 2HG2 THR 8 2HG2 THR 8 11.945 13.331 -11.855 55 3HG2 THR 8 3HG2 THR 8 11.658 12.950 -13.566 56 H GLY 9 H GLY 9 8.447 11.858 -9.866 57 1HA GLY 9 1HA GLY 9 10.570 11.729 -7.927 58 2HA GLY 9 2HA GLY 9 8.837 11.555 -7.626 59 H ARG 10 H ARG 10 8.165 9.316 -9.157 60 HA ARG 10 HA ARG 10 9.036 7.054 -7.715 61 1HB ARG 10 1HB ARG 10 6.965 7.209 -9.016 62 2HB ARG 10 2HB ARG 10 7.878 7.378 -10.510 63 1HG ARG 10 1HG ARG 10 7.013 5.116 -10.248 64 2HG ARG 10 2HG ARG 10 8.770 5.168 -10.365 65 1HD ARG 10 1HD ARG 10 8.071 3.611 -8.659 66 2HD ARG 10 2HD ARG 10 8.929 4.926 -7.871 67 HE ARG 10 HE ARG 10 6.264 5.686 -7.772 68 1HH1 ARG 10 1HH1 ARG 10 4.663 5.007 -6.247 69 2HH1 ARG 10 2HH1 ARG 10 4.939 3.565 -5.306 70 1HH2 ARG 10 1HH2 ARG 10 8.118 2.862 -6.634 71 2HH2 ARG 10 2HH2 ARG 10 6.867 2.379 -5.505 72 H ASN 11 H ASN 11 10.372 8.584 -10.650 73 HA ASN 11 HA ASN 11 12.194 6.422 -11.221 74 1HB ASN 11 1HB ASN 11 12.414 9.361 -11.992 75 2HB ASN 11 2HB ASN 11 13.333 8.025 -12.674 76 1HD2 ASN 11 1HD2 ASN 11 10.299 9.031 -14.782 77 2HD2 ASN 11 2HD2 ASN 11 11.558 9.956 -14.000 78 H ILE 12 H ILE 12 12.564 9.557 -9.409 79 HA ILE 12 HA ILE 12 15.344 9.041 -8.969 80 HB ILE 12 HB ILE 12 13.884 11.263 -8.806 81 1HG1 ILE 12 1HG1 ILE 12 16.255 11.282 -8.979 82 2HG1 ILE 12 2HG1 ILE 12 15.793 12.315 -7.626 83 1HG2 ILE 12 1HG2 ILE 12 14.149 10.521 -5.868 84 2HG2 ILE 12 2HG2 ILE 12 13.684 12.089 -6.543 85 3HG2 ILE 12 3HG2 ILE 12 12.648 10.687 -6.799 86 1HD1 ILE 12 1HD1 ILE 12 17.724 11.064 -6.939 87 2HD1 ILE 12 2HD1 ILE 12 16.364 10.333 -6.074 88 3HD1 ILE 12 3HD1 ILE 12 17.053 9.540 -7.505 89 H TYR 13 H TYR 13 12.413 8.577 -6.946 90 HA TYR 13 HA TYR 13 13.486 7.488 -4.667 91 1HB TYR 13 1HB TYR 13 11.098 8.018 -5.056 92 2HB TYR 13 2HB TYR 13 10.992 6.760 -6.275 93 HD1 TYR 13 HD1 TYR 13 9.539 5.087 -5.516 94 HD2 TYR 13 HD2 TYR 13 12.304 6.897 -2.765 95 HE1 TYR 13 HE1 TYR 13 8.717 3.611 -3.726 96 HE2 TYR 13 HE2 TYR 13 11.514 5.400 -0.970 97 HH TYR 13 HH TYR 13 10.106 3.682 -0.403 98 H ASN 14 H ASN 14 12.712 5.905 -7.771 99 HA ASN 14 HA ASN 14 13.531 3.355 -6.912 100 1HB ASN 14 1HB ASN 14 13.021 4.643 -9.625 101 2HB ASN 14 2HB ASN 14 13.611 3.004 -9.538 102 1HD2 ASN 14 1HD2 ASN 14 9.790 3.206 -9.633 103 2HD2 ASN 14 2HD2 ASN 14 10.978 4.202 -10.443 104 H ALA 15 H ALA 15 15.282 5.989 -8.462 105 HA ALA 15 HA ALA 15 17.601 4.462 -9.217 106 1HB ALA 15 1HB ALA 15 18.707 6.634 -9.428 107 2HB ALA 15 2HB ALA 15 17.096 6.673 -10.172 108 3HB ALA 15 3HB ALA 15 17.364 7.430 -8.587 109 H CYS 16 H CYS 16 16.690 6.330 -6.325 110 HA CYS 16 HA CYS 16 19.063 6.049 -4.810 111 1HB CYS 16 1HB CYS 16 17.187 7.623 -4.344 112 2HB CYS 16 2HB CYS 16 16.162 6.280 -3.956 113 H ARG 17 H ARG 17 15.987 4.110 -4.754 114 HA ARG 17 HA ARG 17 16.808 2.159 -2.964 115 1HB ARG 17 1HB ARG 17 14.932 2.038 -5.354 116 2HB ARG 17 2HB ARG 17 15.004 0.777 -4.126 117 1HG ARG 17 1HG ARG 17 14.632 3.602 -3.114 118 2HG ARG 17 2HG ARG 17 13.291 2.891 -4.022 119 1HD ARG 17 1HD ARG 17 13.187 2.546 -1.553 120 2HD ARG 17 2HD ARG 17 13.102 1.080 -2.551 121 HE ARG 17 HE ARG 17 15.660 2.014 -1.307 122 1HH1 ARG 17 1HH1 ARG 17 16.772 0.543 -0.029 123 2HH1 ARG 17 2HH1 ARG 17 15.987 -0.949 0.455 124 1HH2 ARG 17 1HH2 ARG 17 13.072 -0.468 -1.394 125 2HH2 ARG 17 2HH2 ARG 17 13.982 -1.572 -0.402 126 H LEU 18 H LEU 18 17.211 2.143 -6.536 127 HA LEU 18 HA LEU 18 18.355 -0.442 -6.736 128 1HB LEU 18 1HB LEU 18 18.560 2.057 -8.450 129 2HB LEU 18 2HB LEU 18 19.302 0.528 -8.921 130 HG LEU 18 HG LEU 18 16.358 0.712 -8.244 131 1HD1 LEU 18 1HD1 LEU 18 16.819 2.306 -10.083 132 2HD1 LEU 18 2HD1 LEU 18 17.664 1.030 -10.983 133 3HD1 LEU 18 3HD1 LEU 18 15.918 0.902 -10.676 134 1HD2 LEU 18 1HD2 LEU 18 16.214 -1.309 -9.681 135 2HD2 LEU 18 2HD2 LEU 18 17.974 -1.272 -9.907 136 3HD2 LEU 18 3HD2 LEU 18 17.281 -1.581 -8.301 137 H THR 19 H THR 19 19.836 2.733 -6.072 138 HA THR 19 HA THR 19 22.530 1.559 -5.899 139 HB THR 19 HB THR 19 23.174 3.833 -5.111 140 HG1 THR 19 HG1 THR 19 20.896 4.231 -4.351 141 1HG2 THR 19 1HG2 THR 19 21.579 3.754 -7.707 142 2HG2 THR 19 2HG2 THR 19 22.820 4.942 -7.264 143 3HG2 THR 19 3HG2 THR 19 23.267 3.241 -7.498 144 H GLY 20 H GLY 20 20.346 0.430 -4.173 145 1HA GLY 20 1HA GLY 20 20.348 -0.678 -2.232 146 2HA GLY 20 2HA GLY 20 22.073 -0.315 -2.121 147 H ALA 21 H ALA 21 19.746 2.347 -2.142 148 HA ALA 21 HA ALA 21 20.486 2.948 0.670 149 1HB ALA 21 1HB ALA 21 19.333 4.617 -1.551 150 2HB ALA 21 2HB ALA 21 19.553 5.210 0.109 151 3HB ALA 21 3HB ALA 21 20.954 4.704 -0.858 152 HA PRO 22 HA PRO 22 16.699 1.432 2.072 153 1HB PRO 22 1HB PRO 22 16.329 2.636 4.486 154 2HB PRO 22 2HB PRO 22 17.723 1.581 4.130 155 1HG PRO 22 1HG PRO 22 17.622 4.602 3.947 156 2HG PRO 22 2HG PRO 22 18.803 3.612 4.856 157 1HD PRO 22 1HD PRO 22 19.374 4.505 2.364 158 2HD PRO 22 2HD PRO 22 19.823 2.843 2.853 159 H ARG 23 H ARG 23 14.452 1.726 2.491 160 HA ARG 23 HA ARG 23 13.106 3.309 0.745 161 1HB ARG 23 1HB ARG 23 12.115 2.115 3.356 162 2HB ARG 23 2HB ARG 23 11.090 2.717 2.042 163 1HG ARG 23 1HG ARG 23 12.122 1.073 0.497 164 2HG ARG 23 2HG ARG 23 13.103 0.417 1.824 165 1HD ARG 23 1HD ARG 23 10.085 0.545 1.716 166 2HD ARG 23 2HD ARG 23 11.032 -0.914 1.418 167 HE ARG 23 HE ARG 23 10.312 0.296 3.967 168 1HH1 ARG 23 1HH1 ARG 23 10.928 -0.725 5.909 169 2HH1 ARG 23 2HH1 ARG 23 12.151 -1.968 5.904 170 1HH2 ARG 23 1HH2 ARG 23 12.701 -1.826 2.415 171 2HH2 ARG 23 2HH2 ARG 23 13.164 -2.598 3.910 172 HA PRO 24 HA PRO 24 11.656 6.483 4.032 173 1HB PRO 24 1HB PRO 24 13.281 7.033 6.215 174 2HB PRO 24 2HB PRO 24 11.899 5.902 6.216 175 1HG PRO 24 1HG PRO 24 14.825 5.230 5.791 176 2HG PRO 24 2HG PRO 24 13.669 4.449 6.912 177 1HD PRO 24 1HD PRO 24 14.147 3.322 4.552 178 2HD PRO 24 2HD PRO 24 12.457 3.477 5.101 179 H THR 25 H THR 25 15.247 6.187 3.801 180 HA THR 25 HA THR 25 15.747 8.976 3.605 181 HB THR 25 HB THR 25 17.374 6.633 2.518 182 HG1 THR 25 HG1 THR 25 17.395 7.947 5.033 183 1HG2 THR 25 1HG2 THR 25 19.308 8.149 2.870 184 2HG2 THR 25 2HG2 THR 25 18.198 8.791 1.648 185 3HG2 THR 25 3HG2 THR 25 18.197 9.470 3.291 186 H CYS 26 H CYS 26 15.316 6.459 1.107 187 HA CYS 26 HA CYS 26 15.659 8.207 -1.142 188 1HB CYS 26 1HB CYS 26 14.245 5.517 -0.864 189 2HB CYS 26 2HB CYS 26 14.624 6.288 -2.374 190 H ALA 27 H ALA 27 12.879 7.159 0.772 191 HA ALA 27 HA ALA 27 10.815 8.123 -0.904 192 1HB ALA 27 1HB ALA 27 10.372 6.579 0.934 193 2HB ALA 27 2HB ALA 27 10.872 7.804 2.122 194 3HB ALA 27 3HB ALA 27 9.428 8.053 1.134 195 H LYS 28 H LYS 28 12.803 9.720 1.638 196 HA LYS 28 HA LYS 28 11.299 12.258 1.235 197 1HB LYS 28 1HB LYS 28 13.461 11.480 3.193 198 2HB LYS 28 2HB LYS 28 12.648 13.053 3.135 199 1HG LYS 28 1HG LYS 28 11.267 10.366 3.605 200 2HG LYS 28 2HG LYS 28 11.693 11.566 4.828 201 1HD LYS 28 1HD LYS 28 9.552 12.250 4.573 202 2HD LYS 28 2HD LYS 28 10.231 13.170 3.235 203 1HE LYS 28 1HE LYS 28 8.256 12.106 2.386 204 2HE LYS 28 2HE LYS 28 9.572 11.172 1.721 205 1HZ LYS 28 1HZ LYS 28 7.939 9.765 2.526 206 2HZ LYS 28 2HZ LYS 28 9.275 9.575 3.472 207 3HZ LYS 28 3HZ LYS 28 7.977 10.420 4.045 208 H LEU 29 H LEU 29 14.294 10.865 0.093 209 HA LEU 29 HA LEU 29 15.354 13.332 -0.926 210 1HB LEU 29 1HB LEU 29 16.643 11.242 -0.875 211 2HB LEU 29 2HB LEU 29 15.489 10.480 -1.973 212 HG LEU 29 HG LEU 29 16.115 12.058 -3.774 213 1HD1 LEU 29 1HD1 LEU 29 18.178 13.443 -3.487 214 2HD1 LEU 29 2HD1 LEU 29 16.842 14.024 -2.490 215 3HD1 LEU 29 3HD1 LEU 29 18.158 13.084 -1.748 216 1HD2 LEU 29 1HD2 LEU 29 18.345 11.110 -4.188 217 2HD2 LEU 29 2HD2 LEU 29 18.468 10.617 -2.485 218 3HD2 LEU 29 3HD2 LEU 29 17.241 9.884 -3.540 219 H SER 30 H SER 30 12.927 10.959 -2.069 220 HA SER 30 HA SER 30 12.442 12.357 -4.563 221 1HB SER 30 1HB SER 30 10.948 10.498 -4.984 222 2HB SER 30 2HB SER 30 12.481 9.890 -4.323 223 HG SER 30 HG SER 30 11.334 9.959 -2.225 224 H GLY 31 H GLY 31 10.834 12.192 -1.380 225 1HA GLY 31 1HA GLY 31 9.029 13.435 -0.629 226 2HA GLY 31 2HA GLY 31 8.666 14.003 -2.261 227 H CYS 32 H CYS 32 9.286 10.564 -2.100 228 HA CYS 32 HA CYS 32 6.452 9.898 -2.367 229 1HB CYS 32 1HB CYS 32 8.843 8.070 -2.242 230 2HB CYS 32 2HB CYS 32 7.202 7.645 -2.697 231 H LYS 33 H LYS 33 5.816 7.820 -0.968 232 HA LYS 33 HA LYS 33 7.016 7.557 1.655 233 1HB LYS 33 1HB LYS 33 4.923 8.124 2.869 234 2HB LYS 33 2HB LYS 33 5.643 9.509 2.077 235 1HG LYS 33 1HG LYS 33 3.911 8.499 0.095 236 2HG LYS 33 2HG LYS 33 3.080 8.105 1.566 237 1HD LYS 33 1HD LYS 33 2.322 10.253 0.766 238 2HD LYS 33 2HD LYS 33 3.255 10.540 2.242 239 1HE LYS 33 1HE LYS 33 3.802 12.204 0.511 240 2HE LYS 33 2HE LYS 33 5.227 11.223 0.843 241 1HZ LYS 33 1HZ LYS 33 4.942 11.532 -1.456 242 2HZ LYS 33 2HZ LYS 33 4.687 9.936 -1.130 243 3HZ LYS 33 3HZ LYS 33 3.411 10.918 -1.430 244 H ILE 34 H ILE 34 5.620 5.895 2.905 245 HA ILE 34 HA ILE 34 4.506 3.835 1.047 246 HB ILE 34 HB ILE 34 6.529 3.676 3.302 247 1HG1 ILE 34 1HG1 ILE 34 7.112 4.225 0.770 248 2HG1 ILE 34 2HG1 ILE 34 8.097 3.153 1.735 249 1HG2 ILE 34 1HG2 ILE 34 5.021 1.384 1.989 250 2HG2 ILE 34 2HG2 ILE 34 6.532 1.196 2.913 251 3HG2 ILE 34 3HG2 ILE 34 5.080 1.813 3.706 252 1HD1 ILE 34 1HD1 ILE 34 5.848 2.118 -0.028 253 2HD1 ILE 34 2HD1 ILE 34 7.478 2.416 -0.651 254 3HD1 ILE 34 3HD1 ILE 34 7.223 1.211 0.624 255 H ILE 35 H ILE 35 2.542 3.099 1.652 256 HA ILE 35 HA ILE 35 1.652 3.468 4.483 257 HB ILE 35 HB ILE 35 -0.546 3.819 3.715 258 1HG1 ILE 35 1HG1 ILE 35 0.500 3.696 0.861 259 2HG1 ILE 35 2HG1 ILE 35 -0.453 2.442 1.644 260 1HG2 ILE 35 1HG2 ILE 35 -0.320 6.072 2.881 261 2HG2 ILE 35 2HG2 ILE 35 1.054 5.751 3.940 262 3HG2 ILE 35 3HG2 ILE 35 1.270 5.721 2.177 263 1HD1 ILE 35 1HD1 ILE 35 -2.282 4.084 2.043 264 2HD1 ILE 35 2HD1 ILE 35 -1.384 5.256 1.046 265 3HD1 ILE 35 3HD1 ILE 35 -1.942 3.725 0.335 266 H SER 36 H SER 36 -0.064 1.931 5.108 267 HA SER 36 HA SER 36 0.443 -0.809 4.347 268 1HB SER 36 1HB SER 36 -1.650 0.581 6.082 269 2HB SER 36 2HB SER 36 -1.446 -1.168 5.930 270 HG SER 36 HG SER 36 0.547 0.642 6.828 271 H GLY 37 H GLY 37 -1.863 1.729 3.604 272 1HA GLY 37 1HA GLY 37 -4.049 0.338 2.586 273 2HA GLY 37 2HA GLY 37 -3.554 1.951 2.073 274 H SER 38 H SER 38 -4.682 -0.466 0.639 275 HA SER 38 HA SER 38 -2.816 -1.569 -1.172 276 1HB SER 38 1HB SER 38 -4.919 -2.061 -2.446 277 2HB SER 38 2HB SER 38 -4.986 -2.558 -0.747 278 HG SER 38 HG SER 38 -6.873 -1.443 -1.395 279 H THR 39 H THR 39 -4.983 1.314 -1.355 280 HA THR 39 HA THR 39 -3.641 2.259 -3.824 281 HB THR 39 HB THR 39 -5.825 3.655 -3.746 282 HG1 THR 39 HG1 THR 39 -6.692 1.505 -2.142 283 1HG2 THR 39 1HG2 THR 39 -7.119 1.863 -4.875 284 2HG2 THR 39 2HG2 THR 39 -5.427 1.856 -5.408 285 3HG2 THR 39 3HG2 THR 39 -5.993 0.645 -4.236 286 H CYS 40 H CYS 40 -2.592 4.148 -3.770 287 HA CYS 40 HA CYS 40 -2.172 5.639 -1.311 288 1HB CYS 40 1HB CYS 40 -1.413 6.102 -4.223 289 2HB CYS 40 2HB CYS 40 -0.781 6.997 -2.846 290 HA PRO 41 HA PRO 41 -5.440 8.579 -2.122 291 1HB PRO 41 1HB PRO 41 -4.507 10.950 -1.151 292 2HB PRO 41 2HB PRO 41 -4.843 9.553 -0.089 293 1HG PRO 41 1HG PRO 41 -2.173 10.337 -1.296 294 2HG PRO 41 2HG PRO 41 -2.540 10.043 0.431 295 1HD PRO 41 1HD PRO 41 -1.489 8.102 -1.116 296 2HD PRO 41 2HD PRO 41 -2.774 7.695 0.052 297 H SER 42 H SER 42 -5.929 10.636 -3.257 298 HA SER 42 HA SER 42 -5.010 10.677 -5.919 299 1HB SER 42 1HB SER 42 -7.215 11.503 -5.095 300 2HB SER 42 2HB SER 42 -6.396 12.894 -4.351 301 HG SER 42 HG SER 42 -7.217 13.367 -6.430 302 H ASP 43 H ASP 43 -3.793 12.323 -3.050 303 HA ASP 43 HA ASP 43 -2.265 14.375 -4.227 304 1HB ASP 43 1HB ASP 43 -1.782 12.775 -1.682 305 2HB ASP 43 2HB ASP 43 -1.059 14.342 -2.082 306 H TYR 44 H TYR 44 -1.456 10.922 -3.539 307 HA TYR 44 HA TYR 44 1.114 11.242 -5.020 308 1HB TYR 44 1HB TYR 44 0.790 9.677 -2.460 309 2HB TYR 44 2HB TYR 44 2.267 10.106 -3.305 310 HD1 TYR 44 HD1 TYR 44 0.118 10.950 -0.607 311 HD2 TYR 44 HD2 TYR 44 2.717 12.722 -3.553 312 HE1 TYR 44 HE1 TYR 44 0.297 12.982 0.781 313 HE2 TYR 44 HE2 TYR 44 2.904 14.760 -2.157 314 HH TYR 44 HH TYR 44 1.164 15.116 0.954 315 HA PRO 45 HA PRO 45 -1.760 7.713 -6.065 316 1HB PRO 45 1HB PRO 45 -2.057 8.009 -8.761 317 2HB PRO 45 2HB PRO 45 -2.916 9.026 -7.569 318 1HG PRO 45 1HG PRO 45 -0.333 9.690 -9.018 319 2HG PRO 45 2HG PRO 45 -1.810 10.695 -8.899 320 1HD PRO 45 1HD PRO 45 0.283 11.064 -7.208 321 2HD PRO 45 2HD PRO 45 -1.398 11.173 -6.618 322 H LYS 46 H LYS 46 1.383 8.548 -7.545 323 HA LYS 46 HA LYS 46 1.463 6.217 -9.208 324 1HB LYS 46 1HB LYS 46 2.547 8.400 -9.734 325 2HB LYS 46 2HB LYS 46 3.656 8.159 -8.391 326 1HG LYS 46 1HG LYS 46 4.857 7.531 -10.310 327 2HG LYS 46 2HG LYS 46 4.408 5.996 -9.553 328 1HD LYS 46 1HD LYS 46 2.457 5.860 -11.191 329 2HD LYS 46 2HD LYS 46 3.013 7.385 -11.897 330 1HE LYS 46 1HE LYS 46 3.810 5.615 -13.295 331 2HE LYS 46 2HE LYS 46 5.214 6.265 -12.433 332 1HZ LYS 46 1HZ LYS 46 5.013 4.416 -10.903 333 2HZ LYS 46 2HZ LYS 46 3.711 3.836 -11.725 334 3HZ LYS 46 3HZ LYS 46 5.190 3.879 -12.452
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