NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
614233 | 1orl | 5767 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H LYS 1 1H LYS 1 -2.655 4.246 -9.525 2 2H LYS 1 2H LYS 1 -3.487 3.559 -8.274 3 3H LYS 1 3H LYS 1 -2.838 5.041 -8.084 4 HA LYS 1 HA LYS 1 -1.361 2.564 -8.502 5 1HB LYS 1 1HB LYS 1 0.672 3.785 -8.281 6 2HB LYS 1 2HB LYS 1 -0.319 4.645 -9.468 7 1HG LYS 1 1HG LYS 1 -1.055 6.173 -7.507 8 2HG LYS 1 2HG LYS 1 0.233 5.392 -6.572 9 1HD LYS 1 1HD LYS 1 1.858 6.086 -8.406 10 2HD LYS 1 2HD LYS 1 0.524 7.015 -9.121 11 1HE LYS 1 1HE LYS 1 0.296 8.111 -6.761 12 2HE LYS 1 2HE LYS 1 1.885 7.397 -6.420 13 1HZ LYS 1 1HZ LYS 1 2.688 8.620 -8.372 14 2HZ LYS 1 2HZ LYS 1 1.194 9.319 -8.524 15 3HZ LYS 1 3HZ LYS 1 2.111 9.605 -7.182 16 H SER 2 H SER 2 0.051 2.024 -6.610 17 HA SER 2 HA SER 2 -1.394 2.242 -4.070 18 1HB SER 2 1HB SER 2 1.251 0.900 -4.764 19 2HB SER 2 2HB SER 2 0.359 0.747 -3.237 20 HG SER 2 HG SER 2 -0.205 -0.970 -4.496 21 H CYS 3 H CYS 3 -0.631 3.342 -2.240 22 HA CYS 3 HA CYS 3 1.757 5.091 -2.471 23 1HB CYS 3 1HB CYS 3 -1.107 6.022 -2.078 24 2HB CYS 3 2HB CYS 3 0.303 7.001 -1.641 25 H CYS 4 H CYS 4 2.876 4.928 -0.670 26 HA CYS 4 HA CYS 4 1.622 3.847 1.796 27 1HB CYS 4 1HB CYS 4 4.341 3.437 0.520 28 2HB CYS 4 2HB CYS 4 3.989 2.940 2.159 29 HA PRO 5 HA PRO 5 3.293 7.358 4.038 30 1HB PRO 5 1HB PRO 5 3.909 6.232 6.458 31 2HB PRO 5 2HB PRO 5 2.246 6.555 5.908 32 1HG PRO 5 1HG PRO 5 3.746 3.931 5.740 33 2HG PRO 5 2HG PRO 5 2.094 4.220 6.359 34 1HD PRO 5 1HD PRO 5 2.481 3.352 3.847 35 2HD PRO 5 2HD PRO 5 1.253 4.605 4.171 36 H ASN 6 H ASN 6 5.168 4.290 3.974 37 HA ASN 6 HA ASN 6 7.701 5.706 3.639 38 1HB ASN 6 1HB ASN 6 8.647 4.770 5.769 39 2HB ASN 6 2HB ASN 6 7.435 6.024 5.999 40 1HD2 ASN 6 2HD2 ASN 6 5.975 5.592 7.580 41 2HD2 ASN 6 1HD2 ASN 6 5.411 4.000 8.034 42 H THR 7 H THR 7 9.534 4.086 3.889 43 HA THR 7 HA THR 7 9.287 2.172 1.871 44 HB THR 7 HB THR 7 11.425 2.354 4.030 45 HG1 THR 7 1HG THR 7 12.374 3.835 2.573 46 1HG2 THR 7 1HG2 THR 7 12.928 1.560 2.237 47 2HG2 THR 7 2HG2 THR 7 11.646 0.375 2.529 48 3HG2 THR 7 3HG2 THR 7 11.556 1.448 1.113 49 H THR 8 H THR 8 9.036 1.814 5.443 50 HA THR 8 HA THR 8 9.121 -1.038 5.445 51 HB THR 8 HB THR 8 7.675 0.705 7.469 52 HG1 THR 8 1HG THR 8 9.722 0.756 8.484 53 1HG2 THR 8 1HG2 THR 8 9.098 -1.995 7.640 54 2HG2 THR 8 2HG2 THR 8 8.379 -1.118 9.006 55 3HG2 THR 8 3HG2 THR 8 7.342 -1.737 7.709 56 H GLY 9 H GLY 9 6.479 1.354 5.085 57 1HA GLY 9 1HA GLY 9 4.253 -0.380 5.023 58 2HA GLY 9 2HA GLY 9 4.400 1.161 4.161 59 H ARG 10 H ARG 10 6.352 0.799 2.326 60 HA ARG 10 HA ARG 10 5.204 -0.785 0.282 61 1HB ARG 10 1HB ARG 10 8.010 0.332 0.654 62 2HB ARG 10 2HB ARG 10 7.541 -0.557 -0.793 63 1HG ARG 10 1HG ARG 10 6.055 1.912 0.174 64 2HG ARG 10 2HG ARG 10 7.417 1.963 -0.953 65 1HD ARG 10 1HD ARG 10 6.249 0.517 -2.540 66 2HD ARG 10 2HD ARG 10 4.839 0.409 -1.471 67 HE ARG 10 HE ARG 10 5.242 3.133 -1.840 68 1HH1 ARG 10 1HH2 ARG 10 4.419 0.306 -3.833 69 2HH1 ARG 10 2HH2 ARG 10 3.562 1.256 -5.023 70 1HH2 ARG 10 1HH1 ARG 10 4.158 4.344 -3.417 71 2HH2 ARG 10 2HH1 ARG 10 3.296 3.554 -4.711 72 H ASN 11 H ASN 11 7.924 -1.574 2.493 73 HA ASN 11 HA ASN 11 8.579 -4.068 1.382 74 1HB ASN 11 1HB ASN 11 10.019 -3.000 2.973 75 2HB ASN 11 2HB ASN 11 8.776 -3.003 4.221 76 1HD2 ASN 11 2HD2 ASN 11 8.254 -4.939 5.340 77 2HD2 ASN 11 1HD2 ASN 11 9.349 -6.303 5.314 78 H ILE 12 H ILE 12 6.204 -3.360 4.039 79 HA ILE 12 HA ILE 12 5.506 -6.111 4.395 80 HB ILE 12 HB ILE 12 4.030 -3.567 5.128 81 1HG1 ILE 12 1HG1 ILE 12 5.670 -5.467 6.866 82 2HG1 ILE 12 2HG1 ILE 12 6.334 -3.997 6.164 83 1HG2 ILE 12 1HG2 ILE 12 3.572 -6.441 6.072 84 2HG2 ILE 12 2HG2 ILE 12 2.720 -5.012 6.684 85 3HG2 ILE 12 3HG2 ILE 12 2.464 -5.535 5.028 86 1HD1 ILE 12 1HD1 ILE 12 4.078 -4.126 8.195 87 2HD1 ILE 12 2HD1 ILE 12 5.713 -3.497 8.413 88 3HD1 ILE 12 3HD1 ILE 12 4.582 -2.649 7.340 89 H TYR 13 H TYR 13 3.959 -3.457 2.530 90 HA TYR 13 HA TYR 13 1.756 -4.802 1.490 91 1HB TYR 13 1HB TYR 13 2.035 -2.427 1.221 92 2HB TYR 13 2HB TYR 13 3.546 -2.637 0.349 93 HD1 TYR 13 1HD TYR 13 3.449 -2.205 -1.942 94 HD2 TYR 13 2HD TYR 13 -0.029 -3.805 0.033 95 HE1 TYR 13 1HE TYR 13 2.218 -2.170 -4.083 96 HE2 TYR 13 2HE TYR 13 -1.251 -3.809 -2.121 97 HH TYR 13 HH TYR 13 0.290 -2.764 -5.186 98 H ASN 14 H ASN 14 5.034 -4.534 0.039 99 HA ASN 14 HA ASN 14 4.540 -6.174 -2.219 100 1HB ASN 14 1HB ASN 14 7.027 -5.211 -0.789 101 2HB ASN 14 2HB ASN 14 7.150 -6.436 -2.043 102 1HD2 ASN 14 2HD2 ASN 14 6.021 -3.085 -1.472 103 2HD2 ASN 14 1HD2 ASN 14 6.123 -2.618 -3.161 104 H THR 15 H THR 15 5.835 -7.036 1.046 105 HA THR 15 HA THR 15 6.416 -9.741 0.400 106 HB THR 15 HB THR 15 5.654 -8.508 3.082 107 HG1 THR 15 1HG THR 15 7.466 -7.556 2.117 108 1HG2 THR 15 1HG2 THR 15 6.961 -10.389 4.033 109 2HG2 THR 15 2HG2 THR 15 5.531 -10.982 3.175 110 3HG2 THR 15 3HG2 THR 15 7.134 -11.094 2.414 111 H CYS 16 H CYS 16 3.476 -8.219 1.757 112 HA CYS 16 HA CYS 16 1.916 -10.574 2.052 113 1HB CYS 16 1HB CYS 16 1.418 -8.554 3.207 114 2HB CYS 16 2HB CYS 16 1.242 -7.637 1.717 115 H ARG 17 H ARG 17 2.237 -8.257 -0.677 116 HA ARG 17 HA ARG 17 0.343 -9.489 -2.410 117 1HB ARG 17 1HB ARG 17 2.831 -7.817 -2.897 118 2HB ARG 17 2HB ARG 17 1.775 -8.327 -4.208 119 1HG ARG 17 1HG ARG 17 0.462 -6.938 -1.874 120 2HG ARG 17 2HG ARG 17 1.512 -5.973 -2.919 121 1HD ARG 17 1HD ARG 17 -0.798 -5.871 -3.661 122 2HD ARG 17 2HD ARG 17 0.269 -6.551 -4.883 123 HE ARG 17 HE ARG 17 -1.450 -8.223 -3.055 124 1HH1 ARG 17 1HH2 ARG 17 -0.326 -7.589 -6.398 125 2HH1 ARG 17 2HH2 ARG 17 -1.256 -8.908 -7.052 126 1HH2 ARG 17 1HH1 ARG 17 -2.624 -9.908 -3.968 127 2HH2 ARG 17 2HH1 ARG 17 -2.569 -10.218 -5.686 128 H PHE 18 H PHE 18 3.840 -10.059 -1.895 129 HA PHE 18 HA PHE 18 4.203 -11.915 -4.001 130 1HB PHE 18 1HB PHE 18 5.918 -10.629 -2.525 131 2HB PHE 18 2HB PHE 18 5.783 -11.984 -1.416 132 HD1 PHE 18 1HD PHE 18 7.321 -10.669 -4.396 133 HD2 PHE 18 2HD PHE 18 6.316 -14.363 -2.400 134 HE1 PHE 18 1HE PHE 18 9.002 -11.867 -5.760 135 HE2 PHE 18 2HE PHE 18 7.976 -15.559 -3.800 136 HZ PHE 18 HZ PHE 18 9.340 -14.311 -5.461 137 H ALA 19 H ALA 19 3.324 -12.352 -0.547 138 HA ALA 19 HA ALA 19 3.167 -15.192 -0.533 139 1HB ALA 19 1HB ALA 19 3.216 -13.899 1.523 140 2HB ALA 19 2HB ALA 19 1.675 -13.113 1.120 141 3HB ALA 19 3HB ALA 19 1.721 -14.855 1.456 142 H GLY 20 H GLY 20 0.707 -12.676 -1.235 143 1HA GLY 20 1HA GLY 20 -0.569 -13.153 -3.293 144 2HA GLY 20 2HA GLY 20 -0.977 -14.736 -2.630 145 H GLY 21 H GLY 21 -0.914 -11.764 -0.633 146 1HA GLY 21 1HA GLY 21 -3.768 -12.048 -0.053 147 2HA GLY 21 2HA GLY 21 -2.648 -10.867 0.632 148 H SER 22 H SER 22 -5.350 -10.393 -0.533 149 HA SER 22 HA SER 22 -5.244 -9.336 -3.141 150 1HB SER 22 1HB SER 22 -7.022 -8.361 -0.880 151 2HB SER 22 2HB SER 22 -7.375 -8.364 -2.615 152 HG SER 22 HG SER 22 -7.353 -10.646 -2.533 153 H ARG 23 H ARG 23 -5.164 -7.130 -3.880 154 HA ARG 23 HA ARG 23 -2.965 -5.719 -2.935 155 1HB ARG 23 1HB ARG 23 -5.305 -4.743 -4.626 156 2HB ARG 23 2HB ARG 23 -3.834 -3.824 -4.293 157 1HG ARG 23 1HG ARG 23 -2.481 -5.720 -5.287 158 2HG ARG 23 2HG ARG 23 -4.014 -6.437 -5.812 159 1HD ARG 23 1HD ARG 23 -3.085 -5.146 -7.629 160 2HD ARG 23 2HD ARG 23 -4.530 -4.308 -7.031 161 HE ARG 23 HE ARG 23 -2.208 -3.310 -5.684 162 1HH1 ARG 23 1HH2 ARG 23 -3.699 -3.264 -8.902 163 2HH1 ARG 23 2HH2 ARG 23 -3.042 -1.707 -9.329 164 1HH2 ARG 23 1HH1 ARG 23 -1.416 -1.208 -6.222 165 2HH2 ARG 23 2HH1 ARG 23 -1.713 -0.560 -7.812 166 H GLU 24 H GLU 24 -6.411 -4.721 -2.464 167 HA GLU 24 HA GLU 24 -5.701 -2.525 -0.794 168 1HB GLU 24 1HB GLU 24 -8.227 -3.873 -1.607 169 2HB GLU 24 2HB GLU 24 -8.289 -3.080 -0.031 170 1HG GLU 24 1HG GLU 24 -7.300 -1.699 -2.554 171 2HG GLU 24 2HG GLU 24 -8.958 -1.606 -1.940 172 HE2 GLU 24 HE GLU 24 -8.107 0.386 0.869 173 H ARG 25 H ARG 25 -6.422 -5.938 0.014 174 HA ARG 25 HA ARG 25 -6.623 -5.557 2.806 175 1HB ARG 25 1HB ARG 25 -7.252 -7.592 1.466 176 2HB ARG 25 2HB ARG 25 -5.541 -8.022 1.362 177 1HG ARG 25 1HG ARG 25 -5.375 -8.320 3.746 178 2HG ARG 25 2HG ARG 25 -6.909 -7.479 4.028 179 1HD ARG 25 1HD ARG 25 -7.250 -9.845 4.311 180 2HD ARG 25 2HD ARG 25 -8.162 -9.244 2.927 181 HE ARG 25 HE ARG 25 -5.478 -10.550 2.631 182 1HH1 ARG 25 1HH2 ARG 25 -8.961 -10.631 1.805 183 2HH1 ARG 25 2HH2 ARG 25 -8.755 -11.934 0.670 184 1HH2 ARG 25 1HH1 ARG 25 -5.302 -12.320 1.236 185 2HH2 ARG 25 2HH1 ARG 25 -6.682 -12.880 0.327 186 H CYS 26 H CYS 26 -3.832 -6.431 0.748 187 HA CYS 26 HA CYS 26 -1.838 -6.414 2.770 188 1HB CYS 26 1HB CYS 26 -1.688 -5.890 -0.231 189 2HB CYS 26 2HB CYS 26 -0.285 -6.084 0.819 190 H ALA 27 H ALA 27 -3.121 -3.786 0.700 191 HA ALA 27 HA ALA 27 -1.215 -1.826 1.469 192 1HB ALA 27 1HB ALA 27 -4.106 -1.398 0.611 193 2HB ALA 27 2HB ALA 27 -2.787 -0.214 0.560 194 3HB ALA 27 3HB ALA 27 -2.727 -1.641 -0.484 195 H LYS 28 H LYS 28 -4.567 -2.424 2.732 196 HA LYS 28 HA LYS 28 -4.573 -0.589 4.794 197 1HB LYS 28 1HB LYS 28 -6.427 -1.989 3.843 198 2HB LYS 28 2HB LYS 28 -5.823 -3.377 4.755 199 1HG LYS 28 1HG LYS 28 -6.150 -2.175 6.862 200 2HG LYS 28 2HG LYS 28 -6.636 -0.711 5.974 201 1HD LYS 28 1HD LYS 28 -8.595 -1.871 5.058 202 2HD LYS 28 2HD LYS 28 -8.101 -3.385 5.849 203 1HE LYS 28 1HE LYS 28 -8.335 -2.299 8.073 204 2HE LYS 28 2HE LYS 28 -8.827 -0.786 7.285 205 1HZ LYS 28 1HZ LYS 28 -10.263 -3.344 7.122 206 2HZ LYS 28 2HZ LYS 28 -10.695 -2.049 8.046 207 3HZ LYS 28 3HZ LYS 28 -10.724 -1.933 6.403 208 H LEU 29 H LEU 29 -3.629 -4.027 4.882 209 HA LEU 29 HA LEU 29 -2.916 -4.351 7.543 210 1HB LEU 29 1HB LEU 29 -3.093 -6.157 5.881 211 2HB LEU 29 2HB LEU 29 -1.692 -5.520 5.015 212 HG LEU 29 HG LEU 29 -0.254 -6.030 7.011 213 1HD1 LEU 29 1HD1 LEU 29 -1.971 -6.040 8.787 214 2HD1 LEU 29 2HD1 LEU 29 -2.793 -7.410 8.005 215 3HD1 LEU 29 3HD1 LEU 29 -1.170 -7.613 8.698 216 1HD2 LEU 29 1HD2 LEU 29 -0.354 -7.538 5.107 217 2HD2 LEU 29 2HD2 LEU 29 -0.275 -8.484 6.603 218 3HD2 LEU 29 3HD2 LEU 29 -1.822 -8.311 5.744 219 H SER 30 H SER 30 -0.906 -3.165 4.827 220 HA SER 30 HA SER 30 1.480 -2.873 6.479 221 1HB SER 30 1HB SER 30 2.467 -1.938 4.452 222 2HB SER 30 2HB SER 30 1.659 -3.487 4.132 223 HG SER 30 HG SER 30 -0.078 -2.347 3.273 224 H GLY 31 H GLY 31 -1.196 -0.821 5.530 225 1HA GLY 31 1HA GLY 31 -1.788 1.146 6.701 226 2HA GLY 31 2HA GLY 31 -0.098 1.461 7.105 227 H CYS 32 H CYS 32 -0.817 0.414 3.846 228 HA CYS 32 HA CYS 32 -0.365 3.118 2.715 229 1HB CYS 32 1HB CYS 32 -0.455 0.404 1.355 230 2HB CYS 32 2HB CYS 32 0.127 1.905 0.666 231 H LYS 33 H LYS 33 -1.761 3.678 0.816 232 HA LYS 33 HA LYS 33 -4.426 2.323 0.759 233 1HB LYS 33 1HB LYS 33 -5.397 4.367 0.026 234 2HB LYS 33 2HB LYS 33 -4.465 4.687 1.495 235 1HG LYS 33 1HG LYS 33 -2.597 5.595 0.052 236 2HG LYS 33 2HG LYS 33 -3.569 5.264 -1.390 237 1HD LYS 33 1HD LYS 33 -3.767 7.581 -0.883 238 2HD LYS 33 2HD LYS 33 -5.335 6.812 -0.557 239 1HE LYS 33 1HE LYS 33 -4.823 6.774 1.868 240 2HE LYS 33 2HE LYS 33 -3.199 7.384 1.523 241 1HZ LYS 33 1HZ LYS 33 -5.708 8.822 1.006 242 2HZ LYS 33 2HZ LYS 33 -4.685 9.102 2.267 243 3HZ LYS 33 3HZ LYS 33 -4.189 9.400 0.724 244 H ILE 34 H ILE 34 -5.413 2.474 -1.441 245 HA ILE 34 HA ILE 34 -3.558 2.825 -3.694 246 HB ILE 34 HB ILE 34 -5.516 0.495 -3.569 247 1HG1 ILE 34 1HG1 ILE 34 -2.512 0.524 -3.089 248 2HG1 ILE 34 2HG1 ILE 34 -3.781 0.005 -1.971 249 1HG2 ILE 34 1HG2 ILE 34 -4.960 1.500 -5.835 250 2HG2 ILE 34 2HG2 ILE 34 -3.261 1.087 -5.538 251 3HG2 ILE 34 3HG2 ILE 34 -4.496 -0.182 -5.673 252 1HD1 ILE 34 1HD1 ILE 34 -4.395 -1.812 -3.505 253 2HD1 ILE 34 2HD1 ILE 34 -3.004 -1.388 -4.544 254 3HD1 ILE 34 3HD1 ILE 34 -2.726 -1.936 -2.891 255 H ILE 35 H ILE 35 -4.518 4.023 -5.270 256 HA ILE 35 HA ILE 35 -7.444 4.439 -5.269 257 HB ILE 35 HB ILE 35 -7.210 6.862 -5.232 258 1HG1 ILE 35 1HG1 ILE 35 -4.242 6.390 -4.671 259 2HG1 ILE 35 2HG1 ILE 35 -4.951 7.141 -6.109 260 1HG2 ILE 35 1HG2 ILE 35 -7.604 5.596 -3.100 261 2HG2 ILE 35 2HG2 ILE 35 -5.865 5.737 -2.747 262 3HG2 ILE 35 3HG2 ILE 35 -6.879 7.184 -2.871 263 1HD1 ILE 35 1HD1 ILE 35 -4.890 8.259 -3.293 264 2HD1 ILE 35 2HD1 ILE 35 -4.199 8.929 -4.779 265 3HD1 ILE 35 3HD1 ILE 35 -5.958 8.905 -4.561 266 H SER 36 H SER 36 -8.238 5.296 -7.248 267 HA SER 36 HA SER 36 -6.463 4.878 -9.582 268 1HB SER 36 1HB SER 36 -8.613 4.968 -10.829 269 2HB SER 36 2HB SER 36 -8.605 3.733 -9.561 270 HG SER 36 HG SER 36 -9.754 6.324 -9.384 271 H ALA 37 H ALA 37 -6.539 7.368 -7.639 272 HA ALA 37 HA ALA 37 -7.367 9.534 -9.403 273 1HB ALA 37 1HB ALA 37 -7.608 9.608 -6.929 274 2HB ALA 37 2HB ALA 37 -5.836 9.599 -6.786 275 3HB ALA 37 3HB ALA 37 -6.655 10.959 -7.576 276 H SER 38 H SER 38 -4.455 7.702 -8.838 277 HA SER 38 HA SER 38 -2.454 7.642 -9.767 278 1HB SER 38 1HB SER 38 -3.585 8.312 -11.883 279 2HB SER 38 2HB SER 38 -3.199 10.005 -11.510 280 HG SER 38 HG SER 38 -1.347 7.881 -11.831 281 H THR 39 H THR 39 -3.554 10.841 -8.746 282 HA THR 39 HA THR 39 -0.852 11.536 -7.720 283 HB THR 39 HB THR 39 -3.388 13.193 -7.991 284 HG1 THR 39 1HG THR 39 -1.054 13.023 -9.594 285 1HG2 THR 39 1HG2 THR 39 -1.869 15.113 -7.669 286 2HG2 THR 39 2HG2 THR 39 -1.855 14.061 -6.244 287 3HG2 THR 39 3HG2 THR 39 -0.504 14.010 -7.400 288 H CYS 40 H CYS 40 -0.500 11.402 -5.588 289 HA CYS 40 HA CYS 40 -2.718 10.677 -3.734 290 1HB CYS 40 1HB CYS 40 0.203 9.881 -3.898 291 2HB CYS 40 2HB CYS 40 -0.758 9.616 -2.441 292 HA PRO 41 HA PRO 41 -1.822 14.433 -1.639 293 1HB PRO 41 1HB PRO 41 -2.525 13.910 0.958 294 2HB PRO 41 2HB PRO 41 -3.709 13.977 -0.378 295 1HG PRO 41 1HG PRO 41 -2.378 11.509 0.776 296 2HG PRO 41 2HG PRO 41 -4.126 11.786 0.509 297 1HD PRO 41 1HD PRO 41 -2.616 10.430 -1.292 298 2HD PRO 41 2HD PRO 41 -3.877 11.566 -1.847 299 H SER 42 H SER 42 -0.409 15.483 -0.102 300 HA SER 42 HA SER 42 2.210 14.288 0.125 301 1HB SER 42 1HB SER 42 1.114 16.919 1.199 302 2HB SER 42 2HB SER 42 2.826 16.457 1.082 303 HG SER 42 HG SER 42 2.472 16.232 -1.200 304 H ASP 43 H ASP 43 1.211 12.486 1.330 305 HA ASP 43 HA ASP 43 1.618 12.630 4.239 306 1HB ASP 43 1HB ASP 43 -1.046 11.911 2.931 307 2HB ASP 43 2HB ASP 43 -0.625 11.489 4.598 308 HD2 ASP 43 HD ASP 43 0.067 13.321 5.924 309 H TYR 44 H TYR 44 0.860 10.792 1.269 310 HA TYR 44 HA TYR 44 2.304 8.416 2.357 311 1HB TYR 44 1HB TYR 44 0.097 8.588 0.292 312 2HB TYR 44 2HB TYR 44 1.033 7.157 0.689 313 HD1 TYR 44 1HD TYR 44 -1.195 9.725 2.339 314 HD2 TYR 44 2HD TYR 44 0.162 5.642 2.243 315 HE1 TYR 44 1HE TYR 44 -2.710 9.175 4.214 316 HE2 TYR 44 2HE TYR 44 -1.566 5.041 3.901 317 HH TYR 44 HH TYR 44 -3.635 7.483 5.495 318 HA PRO 45 HA PRO 45 4.594 10.641 -1.020 319 1HB PRO 45 1HB PRO 45 7.065 10.898 0.097 320 2HB PRO 45 2HB PRO 45 5.679 11.931 0.550 321 1HG PRO 45 1HG PRO 45 6.639 9.429 1.975 322 2HG PRO 45 2HG PRO 45 6.328 11.041 2.683 323 1HD PRO 45 1HD PRO 45 4.444 9.101 2.762 324 2HD PRO 45 2HD PRO 45 4.017 10.810 2.439 325 H LYS 46 H LYS 46 5.006 7.440 0.273 326 HA LYS 46 HA LYS 46 7.047 6.749 -1.816 327 1HB LYS 46 1HB LYS 46 6.119 5.382 0.730 328 2HB LYS 46 2HB LYS 46 6.891 4.496 -0.586 329 1HG LYS 46 1HG LYS 46 8.540 5.043 1.035 330 2HG LYS 46 2HG LYS 46 8.881 5.890 -0.481 331 1HD LYS 46 1HD LYS 46 8.108 8.001 0.444 332 2HD LYS 46 2HD LYS 46 7.413 7.181 1.854 333 1HE LYS 46 1HE LYS 46 9.476 8.259 2.515 334 2HE LYS 46 2HE LYS 46 9.723 6.506 2.562 335 1HZ LYS 46 1HZ LYS 46 10.800 6.671 0.432 336 2HZ LYS 46 2HZ LYS 46 10.566 8.303 0.396 337 3HZ LYS 46 3HZ LYS 46 11.546 7.635 1.541 Start of MODEL 2 1 1H LYS 1 1H LYS 1 -2.795 6.997 -8.008 2 2H LYS 1 2H LYS 1 -2.825 5.663 -7.061 3 3H LYS 1 3H LYS 1 -2.176 7.072 -6.490 4 HA LYS 1 HA LYS 1 -1.193 5.417 -8.688 5 1HB LYS 1 1HB LYS 1 0.694 6.945 -8.936 6 2HB LYS 1 2HB LYS 1 -0.842 7.752 -9.214 7 1HG LYS 1 1HG LYS 1 -0.745 8.678 -6.882 8 2HG LYS 1 2HG LYS 1 0.863 7.940 -6.702 9 1HD LYS 1 1HD LYS 1 1.689 9.292 -8.613 10 2HD LYS 1 2HD LYS 1 0.061 9.943 -8.858 11 1HE LYS 1 1HE LYS 1 1.357 11.600 -7.691 12 2HE LYS 1 2HE LYS 1 0.123 10.971 -6.587 13 1HZ LYS 1 1HZ LYS 1 1.838 9.565 -5.632 14 2HZ LYS 1 2HZ LYS 1 2.965 10.211 -6.646 15 3HZ LYS 1 3HZ LYS 1 2.228 11.159 -5.518 16 H SER 2 H SER 2 -1.708 4.738 -5.782 17 HA SER 2 HA SER 2 -0.835 3.401 -4.248 18 1HB SER 2 1HB SER 2 1.219 2.695 -6.367 19 2HB SER 2 2HB SER 2 0.777 1.732 -4.948 20 HG SER 2 HG SER 2 -1.422 1.823 -5.810 21 H CYS 3 H CYS 3 -0.128 4.578 -2.527 22 HA CYS 3 HA CYS 3 2.699 5.580 -2.534 23 1HB CYS 3 1HB CYS 3 0.270 7.087 -1.527 24 2HB CYS 3 2HB CYS 3 1.965 7.582 -1.452 25 H CYS 4 H CYS 4 3.816 5.169 -0.707 26 HA CYS 4 HA CYS 4 2.395 3.885 1.582 27 1HB CYS 4 1HB CYS 4 5.095 3.372 0.329 28 2HB CYS 4 2HB CYS 4 4.673 2.747 1.911 29 HA PRO 5 HA PRO 5 4.144 7.007 4.174 30 1HB PRO 5 1HB PRO 5 4.638 5.677 6.522 31 2HB PRO 5 2HB PRO 5 3.007 6.080 5.941 32 1HG PRO 5 1HG PRO 5 4.449 3.437 5.620 33 2HG PRO 5 2HG PRO 5 2.781 3.723 6.195 34 1HD PRO 5 1HD PRO 5 3.260 3.047 3.631 35 2HD PRO 5 2HD PRO 5 2.026 4.252 4.022 36 H ASN 6 H ASN 6 5.935 3.875 4.092 37 HA ASN 6 HA ASN 6 8.509 5.192 3.806 38 1HB ASN 6 1HB ASN 6 9.401 4.434 5.982 39 2HB ASN 6 2HB ASN 6 8.106 5.604 6.184 40 1HD2 ASN 6 2HD2 ASN 6 6.467 5.064 7.585 41 2HD2 ASN 6 1HD2 ASN 6 6.117 3.442 8.137 42 H THR 7 H THR 7 10.282 3.473 4.267 43 HA THR 7 HA THR 7 10.082 1.544 2.279 44 HB THR 7 HB THR 7 12.020 1.586 4.626 45 HG1 THR 7 1HG THR 7 13.197 2.988 3.254 46 1HG2 THR 7 1HG2 THR 7 13.621 0.696 2.958 47 2HG2 THR 7 2HG2 THR 7 12.254 -0.409 3.159 48 3HG2 THR 7 3HG2 THR 7 12.337 0.651 1.733 49 H THR 8 H THR 8 9.483 1.246 5.802 50 HA THR 8 HA THR 8 9.377 -1.639 5.779 51 HB THR 8 HB THR 8 8.132 0.211 7.841 52 HG1 THR 8 1HG THR 8 10.324 0.710 7.541 53 1HG2 THR 8 1HG2 THR 8 9.214 -2.638 7.994 54 2HG2 THR 8 2HG2 THR 8 8.555 -1.690 9.342 55 3HG2 THR 8 3HG2 THR 8 7.497 -2.183 8.011 56 H GLY 9 H GLY 9 7.022 1.031 5.418 57 1HA GLY 9 1HA GLY 9 4.617 -0.457 5.247 58 2HA GLY 9 2HA GLY 9 4.960 1.078 4.435 59 H ARG 10 H ARG 10 6.895 0.579 2.631 60 HA ARG 10 HA ARG 10 5.661 -0.811 0.505 61 1HB ARG 10 1HB ARG 10 8.545 0.000 1.021 62 2HB ARG 10 2HB ARG 10 8.064 -0.811 -0.471 63 1HG ARG 10 1HG ARG 10 6.736 1.743 0.478 64 2HG ARG 10 2HG ARG 10 8.194 1.744 -0.521 65 1HD ARG 10 1HD ARG 10 7.084 0.542 -2.316 66 2HD ARG 10 2HD ARG 10 5.618 0.349 -1.347 67 HE ARG 10 HE ARG 10 6.498 3.124 -1.740 68 1HH1 ARG 10 1HH2 ARG 10 4.502 0.519 -3.120 69 2HH1 ARG 10 2HH2 ARG 10 3.417 1.632 -3.915 70 1HH2 ARG 10 1HH1 ARG 10 5.055 4.530 -2.733 71 2HH2 ARG 10 2HH1 ARG 10 3.759 3.924 -3.737 72 H ASN 11 H ASN 11 8.238 -1.938 2.750 73 HA ASN 11 HA ASN 11 8.631 -4.472 1.604 74 1HB ASN 11 1HB ASN 11 10.161 -3.644 3.239 75 2HB ASN 11 2HB ASN 11 8.893 -3.456 4.450 76 1HD2 ASN 11 2HD2 ASN 11 8.390 -5.139 5.799 77 2HD2 ASN 11 1HD2 ASN 11 9.115 -6.726 5.682 78 H ILE 12 H ILE 12 6.335 -3.568 4.266 79 HA ILE 12 HA ILE 12 5.222 -6.150 4.582 80 HB ILE 12 HB ILE 12 4.089 -3.379 5.103 81 1HG1 ILE 12 1HG1 ILE 12 5.069 -5.477 7.084 82 2HG1 ILE 12 2HG1 ILE 12 6.170 -4.302 6.382 83 1HG2 ILE 12 1HG2 ILE 12 2.182 -4.914 4.866 84 2HG2 ILE 12 2HG2 ILE 12 2.985 -6.116 5.896 85 3HG2 ILE 12 3HG2 ILE 12 2.421 -4.581 6.574 86 1HD1 ILE 12 1HD1 ILE 12 4.799 -2.435 7.262 87 2HD1 ILE 12 2HD1 ILE 12 3.735 -3.607 8.070 88 3HD1 ILE 12 3HD1 ILE 12 5.438 -3.497 8.531 89 H TYR 13 H TYR 13 4.230 -3.413 2.482 90 HA TYR 13 HA TYR 13 1.901 -4.558 1.428 91 1HB TYR 13 1HB TYR 13 2.577 -2.180 1.237 92 2HB TYR 13 2HB TYR 13 3.841 -2.621 0.097 93 HD1 TYR 13 1HD TYR 13 3.315 -2.975 -2.246 94 HD2 TYR 13 2HD TYR 13 0.162 -2.620 0.666 95 HE1 TYR 13 1HE TYR 13 1.638 -2.913 -4.070 96 HE2 TYR 13 2HE TYR 13 -1.510 -2.590 -1.146 97 HH TYR 13 HH TYR 13 -1.877 -2.692 -3.400 98 H ASN 14 H ASN 14 5.228 -4.600 0.079 99 HA ASN 14 HA ASN 14 4.664 -6.165 -2.217 100 1HB ASN 14 1HB ASN 14 7.172 -5.484 -0.652 101 2HB ASN 14 2HB ASN 14 7.227 -6.663 -1.958 102 1HD2 ASN 14 2HD2 ASN 14 6.361 -3.253 -1.264 103 2HD2 ASN 14 1HD2 ASN 14 6.613 -2.708 -2.913 104 H THR 15 H THR 15 5.784 -7.149 1.075 105 HA THR 15 HA THR 15 6.087 -9.905 0.478 106 HB THR 15 HB THR 15 5.391 -8.520 3.105 107 HG1 THR 15 1HG THR 15 7.844 -9.330 1.933 108 1HG2 THR 15 1HG2 THR 15 6.520 -11.303 2.559 109 2HG2 THR 15 2HG2 THR 15 6.438 -10.521 4.152 110 3HG2 THR 15 3HG2 THR 15 4.945 -10.937 3.300 111 H CYS 16 H CYS 16 3.286 -8.072 1.754 112 HA CYS 16 HA CYS 16 1.500 -10.248 2.034 113 1HB CYS 16 1HB CYS 16 1.152 -8.149 3.107 114 2HB CYS 16 2HB CYS 16 1.088 -7.272 1.582 115 H ARG 17 H ARG 17 2.020 -7.998 -0.714 116 HA ARG 17 HA ARG 17 0.056 -9.077 -2.443 117 1HB ARG 17 1HB ARG 17 2.674 -7.607 -2.917 118 2HB ARG 17 2HB ARG 17 1.595 -8.024 -4.243 119 1HG ARG 17 1HG ARG 17 0.377 -6.558 -1.903 120 2HG ARG 17 2HG ARG 17 1.493 -5.672 -2.946 121 1HD ARG 17 1HD ARG 17 -0.834 -5.416 -3.670 122 2HD ARG 17 2HD ARG 17 0.206 -6.125 -4.903 123 HE ARG 17 HE ARG 17 -1.566 -7.776 -3.112 124 1HH1 ARG 17 1HH2 ARG 17 -0.604 -6.951 -6.463 125 2HH1 ARG 17 2HH2 ARG 17 -1.515 -8.271 -7.140 126 1HH2 ARG 17 1HH1 ARG 17 -2.699 -9.471 -4.051 127 2HH2 ARG 17 2HH1 ARG 17 -2.719 -9.695 -5.783 128 H PHE 18 H PHE 18 3.519 -9.898 -2.040 129 HA PHE 18 HA PHE 18 3.645 -11.791 -4.159 130 1HB PHE 18 1HB PHE 18 5.637 -10.782 -3.238 131 2HB PHE 18 2HB PHE 18 5.290 -11.424 -1.634 132 HD1 PHE 18 1HD PHE 18 5.819 -12.621 -5.175 133 HD2 PHE 18 2HD PHE 18 6.331 -13.438 -0.969 134 HE1 PHE 18 1HE PHE 18 7.002 -14.729 -5.724 135 HE2 PHE 18 2HE PHE 18 7.531 -15.532 -1.527 136 HZ PHE 18 HZ PHE 18 7.862 -16.186 -3.902 137 H ALA 19 H ALA 19 3.002 -12.161 -0.644 138 HA ALA 19 HA ALA 19 2.739 -14.967 -0.551 139 1HB ALA 19 1HB ALA 19 2.875 -13.539 1.444 140 2HB ALA 19 2HB ALA 19 1.278 -12.849 1.083 141 3HB ALA 19 3HB ALA 19 1.432 -14.570 1.490 142 H GLY 20 H GLY 20 0.325 -12.418 -1.311 143 1HA GLY 20 1HA GLY 20 -0.902 -13.264 -3.405 144 2HA GLY 20 2HA GLY 20 -1.583 -14.486 -2.324 145 H GLY 21 H GLY 21 -1.232 -11.691 -0.454 146 1HA GLY 21 1HA GLY 21 -4.039 -11.414 -0.162 147 2HA GLY 21 2HA GLY 21 -2.799 -10.328 0.480 148 H SER 22 H SER 22 -5.497 -9.905 -0.974 149 HA SER 22 HA SER 22 -5.060 -8.766 -3.514 150 1HB SER 22 1HB SER 22 -7.168 -8.032 -1.446 151 2HB SER 22 2HB SER 22 -7.256 -7.747 -3.194 152 HG SER 22 HG SER 22 -8.354 -9.656 -2.576 153 H ARG 23 H ARG 23 -5.091 -6.530 -4.161 154 HA ARG 23 HA ARG 23 -3.012 -5.071 -3.068 155 1HB ARG 23 1HB ARG 23 -5.333 -4.076 -4.782 156 2HB ARG 23 2HB ARG 23 -3.868 -3.171 -4.401 157 1HG ARG 23 1HG ARG 23 -2.609 -5.292 -5.365 158 2HG ARG 23 2HG ARG 23 -4.175 -5.649 -6.110 159 1HD ARG 23 1HD ARG 23 -2.872 -4.381 -7.688 160 2HD ARG 23 2HD ARG 23 -4.141 -3.301 -7.062 161 HE ARG 23 HE ARG 23 -1.633 -3.198 -5.563 162 1HH1 ARG 23 1HH2 ARG 23 -3.331 -1.823 -8.374 163 2HH1 ARG 23 2HH2 ARG 23 -2.416 -0.338 -8.335 164 1HH2 ARG 23 1HH1 ARG 23 -0.448 -1.307 -5.555 165 2HH2 ARG 23 2HH1 ARG 23 -0.767 -0.026 -6.703 166 H GLU 24 H GLU 24 -6.507 -4.284 -2.648 167 HA GLU 24 HA GLU 24 -5.986 -2.064 -0.933 168 1HB GLU 24 1HB GLU 24 -8.499 -3.724 -1.367 169 2HB GLU 24 2HB GLU 24 -8.420 -2.227 -0.423 170 1HG GLU 24 1HG GLU 24 -7.518 -1.029 -2.434 171 2HG GLU 24 2HG GLU 24 -7.750 -2.502 -3.391 172 HE2 GLU 24 HE GLU 24 -11.321 -2.274 -3.202 173 H ARG 25 H ARG 25 -6.530 -5.513 -0.242 174 HA ARG 25 HA ARG 25 -6.887 -5.273 2.571 175 1HB ARG 25 1HB ARG 25 -7.233 -7.263 0.935 176 2HB ARG 25 2HB ARG 25 -5.536 -7.644 1.217 177 1HG ARG 25 1HG ARG 25 -7.696 -7.375 3.371 178 2HG ARG 25 2HG ARG 25 -7.189 -8.889 2.609 179 1HD ARG 25 1HD ARG 25 -4.848 -8.465 3.453 180 2HD ARG 25 2HD ARG 25 -5.504 -7.100 4.393 181 HE ARG 25 HE ARG 25 -7.091 -9.367 4.917 182 1HH1 ARG 25 1HH2 ARG 25 -3.787 -8.229 5.533 183 2HH1 ARG 25 2HH2 ARG 25 -3.600 -9.165 6.994 184 1HH2 ARG 25 1HH1 ARG 25 -6.839 -10.583 6.842 185 2HH2 ARG 25 2HH1 ARG 25 -5.348 -10.508 7.744 186 H CYS 26 H CYS 26 -3.985 -5.945 0.573 187 HA CYS 26 HA CYS 26 -2.053 -5.818 2.645 188 1HB CYS 26 1HB CYS 26 -1.782 -5.244 -0.327 189 2HB CYS 26 2HB CYS 26 -0.448 -5.477 0.799 190 H ALA 27 H ALA 27 -3.502 -3.262 0.619 191 HA ALA 27 HA ALA 27 -1.828 -1.099 1.265 192 1HB ALA 27 1HB ALA 27 -4.859 -0.937 0.964 193 2HB ALA 27 2HB ALA 27 -3.671 0.299 0.607 194 3HB ALA 27 3HB ALA 27 -3.759 -1.157 -0.402 195 H LYS 28 H LYS 28 -4.836 -2.214 2.906 196 HA LYS 28 HA LYS 28 -4.777 -0.413 5.046 197 1HB LYS 28 1HB LYS 28 -6.448 -2.370 4.110 198 2HB LYS 28 2HB LYS 28 -5.837 -3.178 5.546 199 1HG LYS 28 1HG LYS 28 -7.124 -0.403 5.430 200 2HG LYS 28 2HG LYS 28 -7.935 -1.913 5.863 201 1HD LYS 28 1HD LYS 28 -6.382 -2.186 7.803 202 2HD LYS 28 2HD LYS 28 -5.636 -0.623 7.405 203 1HE LYS 28 1HE LYS 28 -7.808 0.517 7.707 204 2HE LYS 28 2HE LYS 28 -8.583 -1.034 8.079 205 1HZ LYS 28 1HZ LYS 28 -6.426 0.205 9.641 206 2HZ LYS 28 2HZ LYS 28 -8.024 0.192 10.041 207 3HZ LYS 28 3HZ LYS 28 -7.178 -1.221 9.988 208 H LEU 29 H LEU 29 -3.560 -3.785 4.860 209 HA LEU 29 HA LEU 29 -2.563 -4.072 7.440 210 1HB LEU 29 1HB LEU 29 -2.843 -5.889 5.786 211 2HB LEU 29 2HB LEU 29 -1.529 -5.213 4.822 212 HG LEU 29 HG LEU 29 0.076 -5.665 6.673 213 1HD1 LEU 29 1HD1 LEU 29 -1.384 -5.646 8.631 214 2HD1 LEU 29 2HD1 LEU 29 -2.347 -6.991 7.974 215 3HD1 LEU 29 3HD1 LEU 29 -0.664 -7.253 8.476 216 1HD2 LEU 29 1HD2 LEU 29 -1.507 -8.101 5.775 217 2HD2 LEU 29 2HD2 LEU 29 -0.276 -7.251 4.816 218 3HD2 LEU 29 3HD2 LEU 29 0.183 -8.066 6.321 219 H SER 30 H SER 30 -0.957 -2.691 4.573 220 HA SER 30 HA SER 30 1.637 -2.401 5.872 221 1HB SER 30 1HB SER 30 2.257 -1.289 3.776 222 2HB SER 30 2HB SER 30 1.472 -2.852 3.472 223 HG SER 30 HG SER 30 -0.452 -1.703 3.040 224 H GLY 31 H GLY 31 -1.108 -0.307 5.069 225 1HA GLY 31 1HA GLY 31 -1.627 1.711 6.254 226 2HA GLY 31 2HA GLY 31 0.092 1.995 6.554 227 H CYS 32 H CYS 32 -0.082 0.782 3.397 228 HA CYS 32 HA CYS 32 0.326 3.408 2.237 229 1HB CYS 32 1HB CYS 32 -0.066 0.770 0.784 230 2HB CYS 32 2HB CYS 32 0.716 2.201 0.174 231 H LYS 33 H LYS 33 -0.930 4.316 0.523 232 HA LYS 33 HA LYS 33 -3.850 3.701 0.572 233 1HB LYS 33 1HB LYS 33 -2.431 6.139 -0.554 234 2HB LYS 33 2HB LYS 33 -4.167 5.905 -0.340 235 1HG LYS 33 1HG LYS 33 -2.052 6.260 1.813 236 2HG LYS 33 2HG LYS 33 -3.227 7.439 1.245 237 1HD LYS 33 1HD LYS 33 -4.188 6.807 3.200 238 2HD LYS 33 2HD LYS 33 -5.063 5.778 2.059 239 1HE LYS 33 1HE LYS 33 -4.081 3.840 2.896 240 2HE LYS 33 2HE LYS 33 -2.551 4.666 3.274 241 1HZ LYS 33 1HZ LYS 33 -3.548 5.635 5.153 242 2HZ LYS 33 2HZ LYS 33 -4.999 4.898 4.839 243 3HZ LYS 33 3HZ LYS 33 -3.670 3.994 5.213 244 H ILE 34 H ILE 34 -4.405 2.377 -1.061 245 HA ILE 34 HA ILE 34 -3.039 2.623 -3.714 246 HB ILE 34 HB ILE 34 -4.598 0.288 -2.571 247 1HG1 ILE 34 1HG1 ILE 34 -2.513 0.532 -1.320 248 2HG1 ILE 34 2HG1 ILE 34 -2.524 -0.885 -2.361 249 1HG2 ILE 34 1HG2 ILE 34 -2.999 0.647 -5.139 250 2HG2 ILE 34 2HG2 ILE 34 -3.613 -0.904 -4.535 251 3HG2 ILE 34 3HG2 ILE 34 -4.739 0.375 -4.997 252 1HD1 ILE 34 1HD1 ILE 34 -1.027 1.719 -2.798 253 2HD1 ILE 34 2HD1 ILE 34 -0.345 0.154 -2.361 254 3HD1 ILE 34 3HD1 ILE 34 -1.052 0.373 -3.968 255 H ILE 35 H ILE 35 -4.203 4.100 -4.796 256 HA ILE 35 HA ILE 35 -7.011 3.420 -5.381 257 HB ILE 35 HB ILE 35 -7.627 5.797 -5.426 258 1HG1 ILE 35 1HG1 ILE 35 -4.948 6.325 -4.047 259 2HG1 ILE 35 2HG1 ILE 35 -5.405 6.821 -5.686 260 1HG2 ILE 35 1HG2 ILE 35 -8.062 4.289 -3.453 261 2HG2 ILE 35 2HG2 ILE 35 -6.648 5.007 -2.653 262 3HG2 ILE 35 3HG2 ILE 35 -8.054 6.007 -3.069 263 1HD1 ILE 35 1HD1 ILE 35 -6.656 7.798 -3.095 264 2HD1 ILE 35 2HD1 ILE 35 -5.668 8.715 -4.234 265 3HD1 ILE 35 3HD1 ILE 35 -7.281 8.166 -4.723 266 H SER 36 H SER 36 -7.564 3.719 -7.501 267 HA SER 36 HA SER 36 -5.316 4.018 -9.392 268 1HB SER 36 1HB SER 36 -6.925 2.992 -10.968 269 2HB SER 36 2HB SER 36 -6.716 2.026 -9.499 270 HG SER 36 HG SER 36 -8.845 3.820 -10.049 271 H ALA 37 H ALA 37 -6.441 6.419 -8.006 272 HA ALA 37 HA ALA 37 -7.869 7.906 -10.108 273 1HB ALA 37 1HB ALA 37 -6.841 8.729 -7.365 274 2HB ALA 37 2HB ALA 37 -7.928 9.670 -8.408 275 3HB ALA 37 3HB ALA 37 -8.476 8.132 -7.725 276 H SER 38 H SER 38 -4.792 6.933 -10.064 277 HA SER 38 HA SER 38 -2.737 7.674 -10.469 278 1HB SER 38 1HB SER 38 -3.861 8.062 -12.638 279 2HB SER 38 2HB SER 38 -4.155 9.747 -12.168 280 HG SER 38 HG SER 38 -1.856 9.932 -11.928 281 H THR 39 H THR 39 -3.968 8.720 -8.069 282 HA THR 39 HA THR 39 -2.325 11.092 -7.498 283 HB THR 39 HB THR 39 -5.358 11.004 -7.092 284 HG1 THR 39 1HG THR 39 -4.951 11.320 -9.244 285 1HG2 THR 39 1HG2 THR 39 -5.024 13.490 -6.686 286 2HG2 THR 39 2HG2 THR 39 -4.415 12.445 -5.402 287 3HG2 THR 39 3HG2 THR 39 -3.283 13.175 -6.570 288 H CYS 40 H CYS 40 -2.419 11.502 -5.078 289 HA CYS 40 HA CYS 40 -3.478 9.346 -3.397 290 1HB CYS 40 1HB CYS 40 -0.567 10.241 -3.427 291 2HB CYS 40 2HB CYS 40 -1.292 9.312 -2.118 292 HA PRO 41 HA PRO 41 -3.930 13.082 -0.762 293 1HB PRO 41 1HB PRO 41 -4.015 11.949 1.726 294 2HB PRO 41 2HB PRO 41 -5.391 11.886 0.586 295 1HG PRO 41 1HG PRO 41 -3.294 9.772 1.076 296 2HG PRO 41 2HG PRO 41 -5.067 9.553 1.012 297 1HD PRO 41 1HD PRO 41 -3.464 9.025 -1.123 298 2HD PRO 41 2HD PRO 41 -5.081 9.751 -1.355 299 H SER 42 H SER 42 -2.291 14.382 0.002 300 HA SER 42 HA SER 42 0.401 13.411 -0.276 301 1HB SER 42 1HB SER 42 -0.418 15.620 -1.074 302 2HB SER 42 2HB SER 42 -0.546 16.160 0.612 303 HG SER 42 HG SER 42 1.457 16.705 -0.384 304 H ASP 43 H ASP 43 0.031 11.780 1.555 305 HA ASP 43 HA ASP 43 1.348 12.811 4.006 306 1HB ASP 43 1HB ASP 43 -1.195 11.121 4.004 307 2HB ASP 43 2HB ASP 43 -0.271 11.595 5.438 308 HD2 ASP 43 HD ASP 43 -1.459 14.906 5.431 309 H TYR 44 H TYR 44 1.933 11.025 1.529 310 HA TYR 44 HA TYR 44 2.956 8.631 2.963 311 1HB TYR 44 1HB TYR 44 1.076 8.601 0.582 312 2HB TYR 44 2HB TYR 44 1.979 7.213 1.174 313 HD1 TYR 44 1HD TYR 44 -0.939 9.351 1.744 314 HD2 TYR 44 2HD TYR 44 1.603 6.388 3.521 315 HE1 TYR 44 1HE TYR 44 -2.606 8.997 3.544 316 HE2 TYR 44 2HE TYR 44 -0.078 5.974 5.287 317 HH TYR 44 HH TYR 44 -3.098 7.882 5.504 318 HA PRO 45 HA PRO 45 5.704 10.574 -0.157 319 1HB PRO 45 1HB PRO 45 7.800 11.354 1.368 320 2HB PRO 45 2HB PRO 45 6.201 12.120 1.529 321 1HG PRO 45 1HG PRO 45 7.291 9.844 3.224 322 2HG PRO 45 2HG PRO 45 6.668 11.420 3.795 323 1HD PRO 45 1HD PRO 45 5.086 9.199 3.655 324 2HD PRO 45 2HD PRO 45 4.455 10.828 3.283 325 H LYS 46 H LYS 46 5.469 7.640 0.155 326 HA LYS 46 HA LYS 46 8.096 6.962 -0.929 327 1HB LYS 46 1HB LYS 46 7.445 6.261 1.748 328 2HB LYS 46 2HB LYS 46 7.009 4.844 0.833 329 1HG LYS 46 1HG LYS 46 9.282 4.534 1.489 330 2HG LYS 46 2HG LYS 46 9.245 4.830 -0.243 331 1HD LYS 46 1HD LYS 46 11.087 5.985 0.603 332 2HD LYS 46 2HD LYS 46 9.940 7.241 0.202 333 1HE LYS 46 1HE LYS 46 10.470 6.162 3.017 334 2HE LYS 46 2HE LYS 46 11.199 7.605 2.292 335 1HZ LYS 46 1HZ LYS 46 8.954 8.483 2.039 336 2HZ LYS 46 2HZ LYS 46 8.395 7.281 3.026 337 3HZ LYS 46 3HZ LYS 46 9.501 8.351 3.588 Start of MODEL 3 1 1H LYS 1 1H LYS 1 -3.297 3.294 -9.107 2 2H LYS 1 2H LYS 1 -3.362 2.199 -7.870 3 3H LYS 1 3H LYS 1 -3.763 3.773 -7.597 4 HA LYS 1 HA LYS 1 -1.131 2.767 -8.318 5 1HB LYS 1 1HB LYS 1 -1.604 4.962 -9.274 6 2HB LYS 1 2HB LYS 1 -2.017 5.609 -7.676 7 1HG LYS 1 1HG LYS 1 0.258 5.451 -6.923 8 2HG LYS 1 2HG LYS 1 0.690 4.334 -8.224 9 1HD LYS 1 1HD LYS 1 1.655 6.446 -8.775 10 2HD LYS 1 2HD LYS 1 0.329 6.139 -9.901 11 1HE LYS 1 1HE LYS 1 -1.136 7.639 -8.455 12 2HE LYS 1 2HE LYS 1 0.301 7.990 -7.474 13 1HZ LYS 1 1HZ LYS 1 -0.061 8.579 -10.329 14 2HZ LYS 1 2HZ LYS 1 -0.022 9.665 -9.101 15 3HZ LYS 1 3HZ LYS 1 1.340 8.826 -9.496 16 H SER 2 H SER 2 0.157 2.195 -6.647 17 HA SER 2 HA SER 2 -1.019 2.138 -3.954 18 1HB SER 2 1HB SER 2 1.511 0.858 -5.074 19 2HB SER 2 2HB SER 2 0.784 0.539 -3.486 20 HG SER 2 HG SER 2 -0.419 0.065 -6.020 21 H CYS 3 H CYS 3 -0.331 3.523 -2.360 22 HA CYS 3 HA CYS 3 2.281 4.962 -2.626 23 1HB CYS 3 1HB CYS 3 -0.468 6.168 -2.279 24 2HB CYS 3 2HB CYS 3 1.039 7.040 -1.962 25 H CYS 4 H CYS 4 3.376 5.019 -0.755 26 HA CYS 4 HA CYS 4 2.040 3.751 1.582 27 1HB CYS 4 1HB CYS 4 4.750 3.396 0.312 28 2HB CYS 4 2HB CYS 4 4.383 2.751 1.901 29 HA PRO 5 HA PRO 5 3.439 7.008 4.177 30 1HB PRO 5 1HB PRO 5 3.821 5.784 6.576 31 2HB PRO 5 2HB PRO 5 2.215 5.964 5.829 32 1HG PRO 5 1HG PRO 5 4.015 3.526 5.674 33 2HG PRO 5 2HG PRO 5 2.296 3.589 6.159 34 1HD PRO 5 1HD PRO 5 2.983 2.973 3.634 35 2HD PRO 5 2HD PRO 5 1.603 4.043 3.947 36 H ASN 6 H ASN 6 5.494 4.066 4.029 37 HA ASN 6 HA ASN 6 7.970 5.553 4.036 38 1HB ASN 6 1HB ASN 6 8.786 4.685 6.224 39 2HB ASN 6 2HB ASN 6 7.467 5.832 6.400 40 1HD2 ASN 6 2HD2 ASN 6 5.640 5.202 7.517 41 2HD2 ASN 6 1HD2 ASN 6 5.317 3.566 8.045 42 H THR 7 H THR 7 9.825 3.894 4.518 43 HA THR 7 HA THR 7 9.760 2.026 2.425 44 HB THR 7 HB THR 7 11.709 2.190 4.755 45 HG1 THR 7 1HG THR 7 12.777 3.661 3.398 46 1HG2 THR 7 1HG2 THR 7 12.029 1.229 1.872 47 2HG2 THR 7 2HG2 THR 7 13.344 1.394 3.054 48 3HG2 THR 7 3HG2 THR 7 12.066 0.201 3.321 49 H THR 8 H THR 8 9.251 1.580 5.967 50 HA THR 8 HA THR 8 9.295 -1.295 5.829 51 HB THR 8 HB THR 8 7.906 0.390 7.936 52 HG1 THR 8 1HG THR 8 10.623 -0.403 7.729 53 1HG2 THR 8 1HG2 THR 8 8.514 -1.530 9.378 54 2HG2 THR 8 2HG2 THR 8 7.487 -2.056 8.033 55 3HG2 THR 8 3HG2 THR 8 9.233 -2.365 7.986 56 H GLY 9 H GLY 9 6.770 1.221 5.555 57 1HA GLY 9 1HA GLY 9 4.462 -0.391 5.311 58 2HA GLY 9 2HA GLY 9 4.730 1.180 4.537 59 H ARG 10 H ARG 10 6.683 0.852 2.736 60 HA ARG 10 HA ARG 10 5.592 -0.570 0.575 61 1HB ARG 10 1HB ARG 10 8.404 0.394 1.204 62 2HB ARG 10 2HB ARG 10 8.074 -0.487 -0.286 63 1HG ARG 10 1HG ARG 10 6.544 2.007 0.507 64 2HG ARG 10 2HG ARG 10 8.051 2.034 -0.425 65 1HD ARG 10 1HD ARG 10 7.110 0.709 -2.210 66 2HD ARG 10 2HD ARG 10 5.608 0.458 -1.309 67 HE ARG 10 HE ARG 10 6.304 3.265 -1.817 68 1HH1 ARG 10 1HH2 ARG 10 4.599 0.423 -3.121 69 2HH1 ARG 10 2HH2 ARG 10 3.505 1.394 -4.074 70 1HH2 ARG 10 1HH1 ARG 10 4.854 4.477 -3.027 71 2HH2 ARG 10 2HH1 ARG 10 3.656 3.704 -4.045 72 H ASN 11 H ASN 11 8.181 -1.634 2.832 73 HA ASN 11 HA ASN 11 8.702 -4.107 1.606 74 1HB ASN 11 1HB ASN 11 10.179 -3.201 3.273 75 2HB ASN 11 2HB ASN 11 8.915 -3.210 4.504 76 1HD2 ASN 11 2HD2 ASN 11 8.559 -5.048 5.716 77 2HD2 ASN 11 1HD2 ASN 11 9.464 -6.530 5.499 78 H ILE 12 H ILE 12 6.359 -3.402 4.287 79 HA ILE 12 HA ILE 12 5.441 -6.080 4.534 80 HB ILE 12 HB ILE 12 4.128 -3.430 5.231 81 1HG1 ILE 12 1HG1 ILE 12 5.414 -5.498 7.064 82 2HG1 ILE 12 2HG1 ILE 12 6.346 -4.178 6.371 83 1HG2 ILE 12 1HG2 ILE 12 2.360 -5.136 5.028 84 2HG2 ILE 12 2HG2 ILE 12 3.323 -6.285 5.974 85 3HG2 ILE 12 3HG2 ILE 12 2.653 -4.832 6.732 86 1HD1 ILE 12 1HD1 ILE 12 3.946 -3.836 8.212 87 2HD1 ILE 12 2HD1 ILE 12 5.649 -3.549 8.586 88 3HD1 ILE 12 3HD1 ILE 12 4.822 -2.516 7.403 89 H TYR 13 H TYR 13 4.229 -3.320 2.582 90 HA TYR 13 HA TYR 13 1.930 -4.540 1.535 91 1HB TYR 13 1HB TYR 13 2.412 -2.152 1.370 92 2HB TYR 13 2HB TYR 13 3.792 -2.455 0.324 93 HD1 TYR 13 1HD TYR 13 3.461 -2.292 -2.024 94 HD2 TYR 13 2HD TYR 13 0.111 -3.175 0.540 95 HE1 TYR 13 1HE TYR 13 1.942 -2.208 -3.976 96 HE2 TYR 13 2HE TYR 13 -1.394 -3.171 -1.427 97 HH TYR 13 HH TYR 13 -0.281 -2.196 -4.661 98 H ASN 14 H ASN 14 5.238 -4.376 0.144 99 HA ASN 14 HA ASN 14 4.681 -5.939 -2.163 100 1HB ASN 14 1HB ASN 14 7.209 -5.079 -0.737 101 2HB ASN 14 2HB ASN 14 7.271 -6.216 -2.076 102 1HD2 ASN 14 2HD2 ASN 14 6.181 -2.906 -1.228 103 2HD2 ASN 14 1HD2 ASN 14 6.244 -2.312 -2.878 104 H THR 15 H THR 15 5.823 -6.881 1.113 105 HA THR 15 HA THR 15 6.353 -9.610 0.539 106 HB THR 15 HB THR 15 5.366 -8.281 3.106 107 HG1 THR 15 1HG THR 15 7.370 -7.537 2.363 108 1HG2 THR 15 1HG2 THR 15 6.593 -11.033 2.648 109 2HG2 THR 15 2HG2 THR 15 6.369 -10.261 4.231 110 3HG2 THR 15 3HG2 THR 15 4.957 -10.689 3.257 111 H CYS 16 H CYS 16 3.366 -7.989 1.677 112 HA CYS 16 HA CYS 16 1.744 -10.323 1.756 113 1HB CYS 16 1HB CYS 16 1.323 -8.319 3.012 114 2HB CYS 16 2HB CYS 16 1.088 -7.363 1.554 115 H ARG 17 H ARG 17 2.341 -7.924 -0.832 116 HA ARG 17 HA ARG 17 0.453 -8.966 -2.698 117 1HB ARG 17 1HB ARG 17 3.017 -7.377 -3.006 118 2HB ARG 17 2HB ARG 17 1.988 -7.764 -4.378 119 1HG ARG 17 1HG ARG 17 0.554 -6.552 -2.047 120 2HG ARG 17 2HG ARG 17 1.767 -5.516 -2.782 121 1HD ARG 17 1HD ARG 17 -0.592 -5.269 -3.691 122 2HD ARG 17 2HD ARG 17 0.715 -5.445 -4.862 123 HE ARG 17 HE ARG 17 -0.249 -7.321 -5.661 124 1HH1 ARG 17 1HH2 ARG 17 -1.466 -6.866 -2.356 125 2HH1 ARG 17 2HH2 ARG 17 -2.596 -8.195 -2.475 126 1HH2 ARG 17 1HH1 ARG 17 -1.864 -8.962 -5.825 127 2HH2 ARG 17 2HH1 ARG 17 -2.806 -9.378 -4.412 128 H PHE 18 H PHE 18 3.914 -9.748 -2.119 129 HA PHE 18 HA PHE 18 4.176 -11.620 -4.263 130 1HB PHE 18 1HB PHE 18 6.131 -10.696 -3.232 131 2HB PHE 18 2HB PHE 18 5.647 -11.256 -1.636 132 HD1 PHE 18 1HD PHE 18 6.064 -13.515 -0.890 133 HD2 PHE 18 2HD PHE 18 6.826 -12.410 -4.988 134 HE1 PHE 18 1HE PHE 18 7.172 -15.697 -1.274 135 HE2 PHE 18 2HE PHE 18 7.966 -14.582 -5.357 136 HZ PHE 18 HZ PHE 18 8.123 -16.235 -3.508 137 H ALA 19 H ALA 19 3.344 -12.038 -0.785 138 HA ALA 19 HA ALA 19 3.144 -14.869 -0.819 139 1HB ALA 19 1HB ALA 19 3.325 -13.504 1.235 140 2HB ALA 19 2HB ALA 19 1.693 -12.859 0.954 141 3HB ALA 19 3HB ALA 19 1.922 -14.590 1.282 142 H GLY 20 H GLY 20 0.804 -12.273 -1.502 143 1HA GLY 20 1HA GLY 20 -0.693 -12.497 -3.314 144 2HA GLY 20 2HA GLY 20 -0.902 -14.218 -2.983 145 H GLY 21 H GLY 21 -1.201 -11.112 -1.174 146 1HA GLY 21 1HA GLY 21 -3.913 -11.897 -0.192 147 2HA GLY 21 2HA GLY 21 -2.939 -10.537 0.369 148 H SER 22 H SER 22 -5.466 -9.850 -0.265 149 HA SER 22 HA SER 22 -5.735 -8.996 -3.029 150 1HB SER 22 1HB SER 22 -7.230 -7.893 -0.637 151 2HB SER 22 2HB SER 22 -7.755 -7.985 -2.325 152 HG SER 22 HG SER 22 -8.670 -9.628 -0.989 153 H ARG 23 H ARG 23 -5.475 -6.818 -3.791 154 HA ARG 23 HA ARG 23 -3.256 -5.328 -2.938 155 1HB ARG 23 1HB ARG 23 -5.744 -4.480 -4.460 156 2HB ARG 23 2HB ARG 23 -4.293 -3.483 -4.276 157 1HG ARG 23 1HG ARG 23 -2.909 -5.202 -5.354 158 2HG ARG 23 2HG ARG 23 -4.312 -6.271 -5.541 159 1HD ARG 23 1HD ARG 23 -4.078 -3.486 -6.736 160 2HD ARG 23 2HD ARG 23 -3.709 -4.966 -7.611 161 HE ARG 23 HE ARG 23 -6.353 -3.941 -6.763 162 1HH1 ARG 23 1HH2 ARG 23 -4.606 -6.694 -8.193 163 2HH1 ARG 23 2HH2 ARG 23 -6.032 -7.351 -8.954 164 1HH2 ARG 23 1HH1 ARG 23 -8.195 -4.816 -7.772 165 2HH2 ARG 23 2HH1 ARG 23 -8.080 -6.288 -8.703 166 H GLU 24 H GLU 24 -6.711 -4.585 -2.309 167 HA GLU 24 HA GLU 24 -6.235 -2.325 -0.673 168 1HB GLU 24 1HB GLU 24 -8.629 -4.188 -0.889 169 2HB GLU 24 2HB GLU 24 -8.616 -2.642 -0.027 170 1HG GLU 24 1HG GLU 24 -7.978 -1.463 -2.125 171 2HG GLU 24 2HG GLU 24 -8.030 -2.998 -3.006 172 HE2 GLU 24 HE GLU 24 -11.510 -1.303 -1.766 173 H ARG 25 H ARG 25 -6.667 -5.777 0.197 174 HA ARG 25 HA ARG 25 -6.764 -5.394 3.015 175 1HB ARG 25 1HB ARG 25 -7.492 -7.388 1.679 176 2HB ARG 25 2HB ARG 25 -5.791 -7.816 1.440 177 1HG ARG 25 1HG ARG 25 -5.493 -7.972 3.901 178 2HG ARG 25 2HG ARG 25 -7.200 -7.556 4.142 179 1HD ARG 25 1HD ARG 25 -6.206 -9.978 2.568 180 2HD ARG 25 2HD ARG 25 -6.690 -9.994 4.274 181 HE ARG 25 HE ARG 25 -8.787 -8.867 2.695 182 1HH1 ARG 25 1HH2 ARG 25 -7.270 -11.989 3.435 183 2HH1 ARG 25 2HH2 ARG 25 -8.729 -12.906 3.163 184 1HH2 ARG 25 1HH1 ARG 25 -10.699 -10.088 2.329 185 2HH2 ARG 25 2HH1 ARG 25 -10.681 -11.822 2.527 186 H CYS 26 H CYS 26 -4.072 -6.202 0.787 187 HA CYS 26 HA CYS 26 -1.983 -6.221 2.729 188 1HB CYS 26 1HB CYS 26 -1.967 -5.657 -0.264 189 2HB CYS 26 2HB CYS 26 -0.522 -5.827 0.724 190 H ALA 27 H ALA 27 -3.410 -3.592 0.776 191 HA ALA 27 HA ALA 27 -1.535 -1.575 1.458 192 1HB ALA 27 1HB ALA 27 -4.474 -1.296 0.733 193 2HB ALA 27 2HB ALA 27 -3.219 -0.047 0.632 194 3HB ALA 27 3HB ALA 27 -3.114 -1.482 -0.397 195 H LYS 28 H LYS 28 -4.685 -2.510 2.931 196 HA LYS 28 HA LYS 28 -4.682 -0.649 5.073 197 1HB LYS 28 1HB LYS 28 -5.905 -3.392 4.640 198 2HB LYS 28 2HB LYS 28 -6.116 -2.509 6.153 199 1HG LYS 28 1HG LYS 28 -7.147 -0.632 5.012 200 2HG LYS 28 2HG LYS 28 -6.737 -1.301 3.425 201 1HD LYS 28 1HD LYS 28 -8.231 -3.251 3.863 202 2HD LYS 28 2HD LYS 28 -8.620 -2.574 5.454 203 1HE LYS 28 1HE LYS 28 -10.418 -2.004 3.926 204 2HE LYS 28 2HE LYS 28 -9.532 -0.523 4.328 205 1HZ LYS 28 1HZ LYS 28 -9.221 -2.120 1.883 206 2HZ LYS 28 2HZ LYS 28 -9.993 -0.669 1.998 207 3HZ LYS 28 3HZ LYS 28 -8.366 -0.757 2.236 208 H LEU 29 H LEU 29 -3.505 -4.050 4.962 209 HA LEU 29 HA LEU 29 -2.579 -4.301 7.572 210 1HB LEU 29 1HB LEU 29 -2.650 -6.175 5.963 211 2HB LEU 29 2HB LEU 29 -1.387 -5.413 4.995 212 HG LEU 29 HG LEU 29 0.201 -5.626 6.957 213 1HD1 LEU 29 1HD1 LEU 29 -2.106 -7.252 8.107 214 2HD1 LEU 29 2HD1 LEU 29 -0.433 -7.310 8.703 215 3HD1 LEU 29 3HD1 LEU 29 -1.354 -5.806 8.820 216 1HD2 LEU 29 1HD2 LEU 29 0.286 -7.194 5.117 217 2HD2 LEU 29 2HD2 LEU 29 0.594 -8.018 6.653 218 3HD2 LEU 29 3HD2 LEU 29 -0.989 -8.191 5.861 219 H SER 30 H SER 30 -0.857 -3.047 4.716 220 HA SER 30 HA SER 30 1.645 -2.676 6.105 221 1HB SER 30 1HB SER 30 2.367 -1.700 3.994 222 2HB SER 30 2HB SER 30 1.502 -3.223 3.712 223 HG SER 30 HG SER 30 -0.336 -1.997 3.185 224 H GLY 31 H GLY 31 -1.091 -0.599 5.285 225 1HA GLY 31 1HA GLY 31 -1.447 1.450 6.607 226 2HA GLY 31 2HA GLY 31 0.278 1.805 6.439 227 H CYS 32 H CYS 32 0.012 0.569 3.545 228 HA CYS 32 HA CYS 32 0.017 3.108 2.285 229 1HB CYS 32 1HB CYS 32 -0.238 0.387 0.970 230 2HB CYS 32 2HB CYS 32 0.382 1.852 0.225 231 H LYS 33 H LYS 33 -1.235 3.668 0.319 232 HA LYS 33 HA LYS 33 -4.169 3.215 0.626 233 1HB LYS 33 1HB LYS 33 -2.745 5.441 -0.861 234 2HB LYS 33 2HB LYS 33 -4.457 5.349 -0.458 235 1HG LYS 33 1HG LYS 33 -2.155 5.806 1.489 236 2HG LYS 33 2HG LYS 33 -3.204 7.027 0.790 237 1HD LYS 33 1HD LYS 33 -4.045 6.769 2.906 238 2HD LYS 33 2HD LYS 33 -5.191 5.867 1.908 239 1HE LYS 33 1HE LYS 33 -4.427 3.783 2.741 240 2HE LYS 33 2HE LYS 33 -2.848 4.460 3.200 241 1HZ LYS 33 1HZ LYS 33 -5.355 5.081 4.561 242 2HZ LYS 33 2HZ LYS 33 -4.254 3.956 5.051 243 3HZ LYS 33 3HZ LYS 33 -3.826 5.544 5.000 244 H ILE 34 H ILE 34 -5.361 2.755 -1.201 245 HA ILE 34 HA ILE 34 -3.975 2.310 -3.808 246 HB ILE 34 HB ILE 34 -6.253 0.713 -2.547 247 1HG1 ILE 34 1HG1 ILE 34 -4.070 0.237 -1.520 248 2HG1 ILE 34 2HG1 ILE 34 -4.844 -1.133 -2.296 249 1HG2 ILE 34 1HG2 ILE 34 -4.871 0.390 -5.240 250 2HG2 ILE 34 2HG2 ILE 34 -5.953 -0.815 -4.506 251 3HG2 ILE 34 3HG2 ILE 34 -6.576 0.778 -4.945 252 1HD1 ILE 34 1HD1 ILE 34 -2.580 0.482 -3.538 253 2HD1 ILE 34 2HD1 ILE 34 -2.396 -1.048 -2.674 254 3HD1 ILE 34 3HD1 ILE 34 -3.298 -1.009 -4.193 255 H ILE 35 H ILE 35 -4.661 4.223 -4.849 256 HA ILE 35 HA ILE 35 -7.576 4.367 -5.303 257 HB ILE 35 HB ILE 35 -7.547 6.820 -5.313 258 1HG1 ILE 35 1HG1 ILE 35 -4.865 6.623 -3.872 259 2HG1 ILE 35 2HG1 ILE 35 -5.113 7.200 -5.530 260 1HG2 ILE 35 1HG2 ILE 35 -6.879 5.727 -2.560 261 2HG2 ILE 35 2HG2 ILE 35 -7.936 7.098 -2.969 262 3HG2 ILE 35 3HG2 ILE 35 -8.423 5.464 -3.408 263 1HD1 ILE 35 1HD1 ILE 35 -6.651 8.978 -4.643 264 2HD1 ILE 35 2HD1 ILE 35 -6.180 8.494 -2.992 265 3HD1 ILE 35 3HD1 ILE 35 -4.971 9.129 -4.108 266 H SER 36 H SER 36 -8.213 5.140 -7.267 267 HA SER 36 HA SER 36 -6.189 4.865 -9.418 268 1HB SER 36 1HB SER 36 -8.183 4.345 -10.790 269 2HB SER 36 2HB SER 36 -8.082 3.295 -9.368 270 HG SER 36 HG SER 36 -9.675 5.631 -9.626 271 H ALA 37 H ALA 37 -6.271 7.374 -7.972 272 HA ALA 37 HA ALA 37 -7.740 9.278 -9.676 273 1HB ALA 37 1HB ALA 37 -7.601 9.520 -7.197 274 2HB ALA 37 2HB ALA 37 -5.848 9.767 -7.350 275 3HB ALA 37 3HB ALA 37 -6.979 10.926 -8.081 276 H SER 38 H SER 38 -4.858 7.600 -10.044 277 HA SER 38 HA SER 38 -2.817 7.906 -10.859 278 1HB SER 38 1HB SER 38 -4.163 8.519 -12.884 279 2HB SER 38 2HB SER 38 -3.973 10.224 -12.436 280 HG SER 38 HG SER 38 -2.363 9.578 -13.894 281 H THR 39 H THR 39 -3.601 9.247 -8.375 282 HA THR 39 HA THR 39 -1.377 11.064 -7.950 283 HB THR 39 HB THR 39 -4.269 12.033 -7.658 284 HG1 THR 39 1HG THR 39 -2.339 12.445 -9.644 285 1HG2 THR 39 1HG2 THR 39 -3.178 14.256 -7.262 286 2HG2 THR 39 2HG2 THR 39 -2.841 13.093 -5.979 287 3HG2 THR 39 3HG2 THR 39 -1.600 13.446 -7.208 288 H CYS 40 H CYS 40 -1.226 11.512 -5.568 289 HA CYS 40 HA CYS 40 -2.855 9.743 -3.855 290 1HB CYS 40 1HB CYS 40 0.164 9.691 -4.156 291 2HB CYS 40 2HB CYS 40 -0.675 9.025 -2.756 292 HA PRO 41 HA PRO 41 -2.520 13.205 -1.078 293 1HB PRO 41 1HB PRO 41 -2.713 11.940 1.388 294 2HB PRO 41 2HB PRO 41 -4.085 12.255 0.288 295 1HG PRO 41 1HG PRO 41 -2.476 9.704 0.543 296 2HG PRO 41 2HG PRO 41 -4.253 9.880 0.503 297 1HD PRO 41 1HD PRO 41 -2.807 9.183 -1.663 298 2HD PRO 41 2HD PRO 41 -4.191 10.302 -1.835 299 H SER 42 H SER 42 -0.959 14.312 -0.001 300 HA SER 42 HA SER 42 1.707 13.716 -0.403 301 1HB SER 42 1HB SER 42 0.494 15.601 1.663 302 2HB SER 42 2HB SER 42 2.135 15.693 0.985 303 HG SER 42 HG SER 42 0.684 17.083 -0.094 304 H ASP 43 H ASP 43 -0.293 13.011 2.428 305 HA ASP 43 HA ASP 43 1.678 12.473 4.358 306 1HB ASP 43 1HB ASP 43 -1.081 11.246 3.980 307 2HB ASP 43 2HB ASP 43 -0.121 11.170 5.464 308 HD2 ASP 43 HD ASP 43 -1.038 14.337 6.518 309 H TYR 44 H TYR 44 1.056 10.690 1.465 310 HA TYR 44 HA TYR 44 2.527 8.309 2.517 311 1HB TYR 44 1HB TYR 44 0.401 8.455 0.367 312 2HB TYR 44 2HB TYR 44 1.357 7.046 0.807 313 HD1 TYR 44 1HD TYR 44 -1.113 9.511 2.195 314 HD2 TYR 44 2HD TYR 44 0.819 5.711 2.696 315 HE1 TYR 44 1HE TYR 44 -2.594 9.021 4.109 316 HE2 TYR 44 2HE TYR 44 -0.457 5.345 4.787 317 HH TYR 44 HH TYR 44 -3.018 7.596 5.874 318 HA PRO 45 HA PRO 45 4.914 10.799 -0.570 319 1HB PRO 45 1HB PRO 45 7.342 10.890 0.664 320 2HB PRO 45 2HB PRO 45 5.961 11.901 1.175 321 1HG PRO 45 1HG PRO 45 6.844 9.252 2.367 322 2HG PRO 45 2HG PRO 45 6.501 10.785 3.227 323 1HD PRO 45 1HD PRO 45 4.635 8.829 3.003 324 2HD PRO 45 2HD PRO 45 4.190 10.561 2.902 325 H LYS 46 H LYS 46 5.478 7.551 0.697 326 HA LYS 46 HA LYS 46 7.712 7.070 -1.143 327 1HB LYS 46 1HB LYS 46 7.654 6.520 1.391 328 2HB LYS 46 2HB LYS 46 6.508 5.255 0.974 329 1HG LYS 46 1HG LYS 46 8.673 4.246 1.113 330 2HG LYS 46 2HG LYS 46 8.192 4.255 -0.577 331 1HD LYS 46 1HD LYS 46 10.556 4.815 -0.289 332 2HD LYS 46 2HD LYS 46 9.679 6.104 -1.097 333 1HE LYS 46 1HE LYS 46 11.305 6.932 0.582 334 2HE LYS 46 2HE LYS 46 9.662 7.454 0.941 335 1HZ LYS 46 1HZ LYS 46 11.013 5.157 2.211 336 2HZ LYS 46 2HZ LYS 46 10.832 6.654 2.878 337 3HZ LYS 46 3HZ LYS 46 9.508 5.730 2.559 Start of MODEL 4 1 1H LYS 1 1H LYS 1 -2.361 6.661 -7.841 2 2H LYS 1 2H LYS 1 -2.839 5.415 -6.890 3 3H LYS 1 3H LYS 1 -1.688 6.476 -6.355 4 HA LYS 1 HA LYS 1 -1.467 4.612 -8.603 5 1HB LYS 1 1HB LYS 1 0.847 5.365 -8.860 6 2HB LYS 1 2HB LYS 1 -0.265 6.716 -9.053 7 1HG LYS 1 1HG LYS 1 0.210 7.546 -6.832 8 2HG LYS 1 2HG LYS 1 1.200 6.122 -6.455 9 1HD LYS 1 1HD LYS 1 2.783 6.767 -8.270 10 2HD LYS 1 2HD LYS 1 1.795 8.203 -8.588 11 1HE LYS 1 1HE LYS 1 3.687 8.846 -7.216 12 2HE LYS 1 2HE LYS 1 2.214 8.992 -6.249 13 1HZ LYS 1 1HZ LYS 1 2.779 6.859 -5.245 14 2HZ LYS 1 2HZ LYS 1 4.140 6.763 -6.157 15 3HZ LYS 1 3HZ LYS 1 3.979 7.942 -5.025 16 H SER 2 H SER 2 -2.111 4.113 -5.666 17 HA SER 2 HA SER 2 -1.541 2.805 -3.943 18 1HB SER 2 1HB SER 2 -0.605 1.126 -5.526 19 2HB SER 2 2HB SER 2 0.993 1.890 -5.372 20 HG SER 2 HG SER 2 0.785 1.523 -3.086 21 H CYS 3 H CYS 3 -0.749 3.600 -2.051 22 HA CYS 3 HA CYS 3 1.425 5.664 -2.157 23 1HB CYS 3 1HB CYS 3 -1.396 6.033 -1.091 24 2HB CYS 3 2HB CYS 3 -0.105 7.240 -1.133 25 H CYS 4 H CYS 4 2.862 4.863 -0.706 26 HA CYS 4 HA CYS 4 1.873 3.758 1.877 27 1HB CYS 4 1HB CYS 4 4.426 3.322 0.314 28 2HB CYS 4 2HB CYS 4 4.217 2.770 1.960 29 HA PRO 5 HA PRO 5 3.749 7.205 3.886 30 1HB PRO 5 1HB PRO 5 4.243 6.282 6.379 31 2HB PRO 5 2HB PRO 5 2.590 6.440 5.738 32 1HG PRO 5 1HG PRO 5 4.289 3.926 5.794 33 2HG PRO 5 2HG PRO 5 2.610 4.122 6.374 34 1HD PRO 5 1HD PRO 5 3.130 3.150 3.892 35 2HD PRO 5 2HD PRO 5 1.765 4.236 4.177 36 H ASN 6 H ASN 6 5.547 4.106 3.931 37 HA ASN 6 HA ASN 6 8.134 5.495 3.745 38 1HB ASN 6 1HB ASN 6 7.478 3.556 6.008 39 2HB ASN 6 2HB ASN 6 9.054 4.279 5.675 40 1HD2 ASN 6 2HD2 ASN 6 6.147 4.641 7.433 41 2HD2 ASN 6 1HD2 ASN 6 6.396 6.290 7.965 42 H THR 7 H THR 7 9.893 3.987 3.444 43 HA THR 7 HA THR 7 9.618 1.969 1.570 44 HB THR 7 HB THR 7 11.768 2.129 3.721 45 HG1 THR 7 1HG THR 7 12.740 3.624 2.294 46 1HG2 THR 7 1HG2 THR 7 13.242 1.365 1.886 47 2HG2 THR 7 2HG2 THR 7 11.946 0.191 2.168 48 3HG2 THR 7 3HG2 THR 7 11.855 1.299 0.780 49 H THR 8 H THR 8 9.526 1.733 5.171 50 HA THR 8 HA THR 8 9.495 -1.108 5.296 51 HB THR 8 HB THR 8 8.253 0.835 7.278 52 HG1 THR 8 1HG THR 8 10.338 0.844 8.181 53 1HG2 THR 8 1HG2 THR 8 9.503 -1.944 7.569 54 2HG2 THR 8 2HG2 THR 8 8.932 -0.931 8.910 55 3HG2 THR 8 3HG2 THR 8 7.776 -1.564 7.729 56 H GLY 9 H GLY 9 6.925 1.350 4.918 57 1HA GLY 9 1HA GLY 9 4.649 -0.368 5.133 58 2HA GLY 9 2HA GLY 9 4.742 1.181 4.278 59 H ARG 10 H ARG 10 6.606 0.785 2.333 60 HA ARG 10 HA ARG 10 5.299 -0.732 0.342 61 1HB ARG 10 1HB ARG 10 8.128 0.352 0.574 62 2HB ARG 10 2HB ARG 10 7.617 -0.568 -0.840 63 1HG ARG 10 1HG ARG 10 6.138 1.894 0.125 64 2HG ARG 10 2HG ARG 10 7.478 1.969 -1.024 65 1HD ARG 10 1HD ARG 10 6.333 0.594 -2.637 66 2HD ARG 10 2HD ARG 10 5.002 0.260 -1.518 67 HE ARG 10 HE ARG 10 5.256 3.084 -1.899 68 1HH1 ARG 10 1HH2 ARG 10 4.034 0.130 -3.456 69 2HH1 ARG 10 2HH2 ARG 10 2.829 0.979 -4.386 70 1HH2 ARG 10 1HH1 ARG 10 3.734 4.167 -3.129 71 2HH2 ARG 10 2HH1 ARG 10 2.691 3.332 -4.251 72 H ASN 11 H ASN 11 8.058 -1.641 2.454 73 HA ASN 11 HA ASN 11 8.579 -4.150 1.281 74 1HB ASN 11 1HB ASN 11 10.141 -3.197 2.803 75 2HB ASN 11 2HB ASN 11 8.949 -3.082 4.096 76 1HD2 ASN 11 2HD2 ASN 11 8.688 -4.767 5.505 77 2HD2 ASN 11 1HD2 ASN 11 9.531 -6.292 5.360 78 H ILE 12 H ILE 12 6.383 -3.398 4.084 79 HA ILE 12 HA ILE 12 5.524 -6.088 4.431 80 HB ILE 12 HB ILE 12 4.135 -3.468 5.097 81 1HG1 ILE 12 1HG1 ILE 12 5.624 -5.376 6.953 82 2HG1 ILE 12 2HG1 ILE 12 6.430 -4.024 6.170 83 1HG2 ILE 12 1HG2 ILE 12 3.529 -6.328 5.995 84 2HG2 ILE 12 2HG2 ILE 12 2.795 -4.882 6.707 85 3HG2 ILE 12 3HG2 ILE 12 2.465 -5.288 5.030 86 1HD1 ILE 12 1HD1 ILE 12 4.119 -3.794 8.126 87 2HD1 ILE 12 2HD1 ILE 12 5.803 -3.311 8.361 88 3HD1 ILE 12 3HD1 ILE 12 4.794 -2.440 7.190 89 H TYR 13 H TYR 13 4.100 -3.385 2.567 90 HA TYR 13 HA TYR 13 1.824 -4.639 1.569 91 1HB TYR 13 1HB TYR 13 2.180 -2.268 1.395 92 2HB TYR 13 2HB TYR 13 3.641 -2.489 0.445 93 HD1 TYR 13 1HD TYR 13 3.466 -1.999 -1.829 94 HD2 TYR 13 2HD TYR 13 0.006 -3.471 0.274 95 HE1 TYR 13 1HE TYR 13 2.115 -1.768 -3.889 96 HE2 TYR 13 2HE TYR 13 -1.337 -3.270 -1.799 97 HH TYR 13 HH TYR 13 0.044 -2.014 -4.851 98 H ASN 14 H ASN 14 5.079 -4.467 0.040 99 HA ASN 14 HA ASN 14 4.425 -5.989 -2.270 100 1HB ASN 14 1HB ASN 14 7.011 -5.144 -0.939 101 2HB ASN 14 2HB ASN 14 7.028 -6.314 -2.249 102 1HD2 ASN 14 2HD2 ASN 14 6.204 -2.936 -1.487 103 2HD2 ASN 14 1HD2 ASN 14 6.183 -2.414 -3.160 104 H THR 15 H THR 15 5.810 -6.990 0.916 105 HA THR 15 HA THR 15 6.283 -9.694 0.166 106 HB THR 15 HB THR 15 5.657 -8.501 2.901 107 HG1 THR 15 1HG THR 15 8.091 -9.043 1.546 108 1HG2 THR 15 1HG2 THR 15 6.906 -10.480 3.758 109 2HG2 THR 15 2HG2 THR 15 5.403 -10.956 2.955 110 3HG2 THR 15 3HG2 THR 15 6.958 -11.151 2.115 111 H CYS 16 H CYS 16 3.431 -8.107 1.652 112 HA CYS 16 HA CYS 16 1.823 -10.444 1.895 113 1HB CYS 16 1HB CYS 16 1.389 -8.485 3.164 114 2HB CYS 16 2HB CYS 16 1.213 -7.481 1.730 115 H ARG 17 H ARG 17 2.038 -7.974 -0.704 116 HA ARG 17 HA ARG 17 0.078 -9.006 -2.448 117 1HB ARG 17 1HB ARG 17 2.681 -7.510 -2.904 118 2HB ARG 17 2HB ARG 17 1.587 -7.887 -4.227 119 1HG ARG 17 1HG ARG 17 0.363 -6.511 -1.843 120 2HG ARG 17 2HG ARG 17 1.502 -5.577 -2.822 121 1HD ARG 17 1HD ARG 17 -0.769 -5.254 -3.622 122 2HD ARG 17 2HD ARG 17 0.262 -6.007 -4.835 123 HE ARG 17 HE ARG 17 -1.533 -7.649 -3.073 124 1HH1 ARG 17 1HH2 ARG 17 -0.681 -6.665 -6.406 125 2HH1 ARG 17 2HH2 ARG 17 -1.709 -7.875 -7.121 126 1HH2 ARG 17 1HH1 ARG 17 -2.808 -9.221 -4.063 127 2HH2 ARG 17 2HH1 ARG 17 -2.931 -9.314 -5.804 128 H PHE 18 H PHE 18 3.573 -9.753 -2.196 129 HA PHE 18 HA PHE 18 3.678 -11.624 -4.332 130 1HB PHE 18 1HB PHE 18 5.650 -10.529 -3.456 131 2HB PHE 18 2HB PHE 18 5.404 -11.235 -1.864 132 HD1 PHE 18 1HD PHE 18 6.440 -13.294 -1.311 133 HD2 PHE 18 2HD PHE 18 5.976 -12.197 -5.458 134 HE1 PHE 18 1HE PHE 18 7.766 -15.275 -1.987 135 HE2 PHE 18 2HE PHE 18 7.295 -14.188 -6.127 136 HZ PHE 18 HZ PHE 18 8.187 -15.733 -4.394 137 H ALA 19 H ALA 19 3.093 -12.041 -0.806 138 HA ALA 19 HA ALA 19 2.977 -14.858 -0.751 139 1HB ALA 19 1HB ALA 19 3.049 -13.422 1.262 140 2HB ALA 19 2HB ALA 19 1.386 -12.886 0.940 141 3HB ALA 19 3HB ALA 19 1.711 -14.586 1.313 142 H GLY 20 H GLY 20 0.421 -12.433 -1.417 143 1HA GLY 20 1HA GLY 20 -0.845 -13.219 -3.479 144 2HA GLY 20 2HA GLY 20 -1.377 -14.580 -2.485 145 H GLY 21 H GLY 21 -1.097 -11.678 -0.608 146 1HA GLY 21 1HA GLY 21 -3.957 -11.583 -0.211 147 2HA GLY 21 2HA GLY 21 -2.741 -10.509 0.483 148 H SER 22 H SER 22 -5.383 -9.889 -0.807 149 HA SER 22 HA SER 22 -5.034 -8.780 -3.399 150 1HB SER 22 1HB SER 22 -7.015 -7.995 -1.223 151 2HB SER 22 2HB SER 22 -7.156 -7.640 -2.953 152 HG SER 22 HG SER 22 -7.067 -10.232 -1.795 153 H ARG 23 H ARG 23 -5.055 -6.492 -3.998 154 HA ARG 23 HA ARG 23 -2.926 -5.019 -2.922 155 1HB ARG 23 1HB ARG 23 -5.327 -4.082 -4.550 156 2HB ARG 23 2HB ARG 23 -3.898 -3.098 -4.197 157 1HG ARG 23 1HG ARG 23 -2.454 -4.749 -5.359 158 2HG ARG 23 2HG ARG 23 -3.879 -5.748 -5.710 159 1HD ARG 23 1HD ARG 23 -3.382 -4.447 -7.686 160 2HD ARG 23 2HD ARG 23 -4.879 -3.855 -6.977 161 HE ARG 23 HE ARG 23 -3.899 -1.847 -6.412 162 1HH1 ARG 23 1HH2 ARG 23 -1.365 -4.043 -7.611 163 2HH1 ARG 23 2HH2 ARG 23 -0.171 -2.777 -7.740 164 1HH2 ARG 23 1HH1 ARG 23 -2.314 -0.227 -6.568 165 2HH2 ARG 23 2HH1 ARG 23 -0.714 -0.605 -7.158 166 H GLU 24 H GLU 24 -6.436 -4.421 -2.482 167 HA GLU 24 HA GLU 24 -6.226 -2.275 -0.673 168 1HB GLU 24 1HB GLU 24 -8.383 -4.409 -0.978 169 2HB GLU 24 2HB GLU 24 -8.553 -2.921 -0.027 170 1HG GLU 24 1HG GLU 24 -8.112 -1.565 -2.064 171 2HG GLU 24 2HG GLU 24 -8.011 -3.045 -3.032 172 HE2 GLU 24 HE GLU 24 -11.532 -1.439 -2.480 173 H ARG 25 H ARG 25 -6.494 -5.800 0.012 174 HA ARG 25 HA ARG 25 -6.669 -5.590 2.802 175 1HB ARG 25 1HB ARG 25 -7.180 -7.543 1.309 176 2HB ARG 25 2HB ARG 25 -5.451 -7.877 1.183 177 1HG ARG 25 1HG ARG 25 -5.293 -8.224 3.603 178 2HG ARG 25 2HG ARG 25 -6.979 -7.734 3.823 179 1HD ARG 25 1HD ARG 25 -6.031 -10.146 2.212 180 2HD ARG 25 2HD ARG 25 -6.670 -10.218 3.852 181 HE ARG 25 HE ARG 25 -8.147 -9.941 1.363 182 1HH1 ARG 25 1HH2 ARG 25 -8.324 -9.313 4.858 183 2HH1 ARG 25 2HH2 ARG 25 -10.068 -9.251 4.879 184 1HH2 ARG 25 1HH1 ARG 25 -10.429 -9.837 1.411 185 2HH2 ARG 25 2HH1 ARG 25 -11.266 -9.546 2.915 186 H CYS 26 H CYS 26 -3.821 -6.223 0.734 187 HA CYS 26 HA CYS 26 -1.867 -6.273 2.799 188 1HB CYS 26 1HB CYS 26 -1.685 -5.628 -0.174 189 2HB CYS 26 2HB CYS 26 -0.291 -5.868 0.881 190 H ALA 27 H ALA 27 -3.173 -3.587 0.831 191 HA ALA 27 HA ALA 27 -1.362 -1.601 1.740 192 1HB ALA 27 1HB ALA 27 -2.768 -1.347 -0.212 193 2HB ALA 27 2HB ALA 27 -4.237 -1.323 0.794 194 3HB ALA 27 3HB ALA 27 -3.040 -0.021 0.921 195 H LYS 28 H LYS 28 -4.568 -2.689 3.005 196 HA LYS 28 HA LYS 28 -4.730 -0.878 5.146 197 1HB LYS 28 1HB LYS 28 -6.297 -2.879 4.072 198 2HB LYS 28 2HB LYS 28 -5.826 -3.626 5.588 199 1HG LYS 28 1HG LYS 28 -7.101 -0.863 5.248 200 2HG LYS 28 2HG LYS 28 -7.951 -2.358 5.660 201 1HD LYS 28 1HD LYS 28 -6.558 -2.555 7.736 202 2HD LYS 28 2HD LYS 28 -5.797 -0.996 7.347 203 1HE LYS 28 1HE LYS 28 -7.982 0.132 7.447 204 2HE LYS 28 2HE LYS 28 -8.783 -1.413 7.798 205 1HZ LYS 28 1HZ LYS 28 -7.512 -1.549 9.809 206 2HZ LYS 28 2HZ LYS 28 -6.756 -0.120 9.486 207 3HZ LYS 28 3HZ LYS 28 -8.379 -0.149 9.771 208 H LEU 29 H LEU 29 -3.410 -4.196 4.998 209 HA LEU 29 HA LEU 29 -2.651 -4.563 7.656 210 1HB LEU 29 1HB LEU 29 -2.736 -6.292 5.862 211 2HB LEU 29 2HB LEU 29 -1.331 -5.551 5.097 212 HG LEU 29 HG LEU 29 0.026 -6.074 7.158 213 1HD1 LEU 29 1HD1 LEU 29 -1.778 -6.322 8.829 214 2HD1 LEU 29 2HD1 LEU 29 -2.468 -7.674 7.901 215 3HD1 LEU 29 3HD1 LEU 29 -0.877 -7.836 8.672 216 1HD2 LEU 29 1HD2 LEU 29 0.129 -7.468 5.162 217 2HD2 LEU 29 2HD2 LEU 29 0.207 -8.486 6.612 218 3HD2 LEU 29 3HD2 LEU 29 -1.305 -8.379 5.683 219 H SER 30 H SER 30 -0.812 -3.142 4.941 220 HA SER 30 HA SER 30 1.622 -2.756 6.473 221 1HB SER 30 1HB SER 30 2.361 -1.539 4.442 222 2HB SER 30 2HB SER 30 1.721 -3.156 4.080 223 HG SER 30 HG SER 30 -0.202 -2.210 3.434 224 H GLY 31 H GLY 31 -1.127 -0.734 5.542 225 1HA GLY 31 1HA GLY 31 -1.738 1.180 6.943 226 2HA GLY 31 2HA GLY 31 -0.027 1.613 7.050 227 H CYS 32 H CYS 32 -0.250 0.491 3.948 228 HA CYS 32 HA CYS 32 -0.189 3.135 2.804 229 1HB CYS 32 1HB CYS 32 -0.424 0.481 1.354 230 2HB CYS 32 2HB CYS 32 0.186 1.995 0.716 231 H LYS 33 H LYS 33 -1.573 3.694 0.879 232 HA LYS 33 HA LYS 33 -4.428 2.840 1.104 233 1HB LYS 33 1HB LYS 33 -3.355 5.373 -0.152 234 2HB LYS 33 2HB LYS 33 -5.026 5.007 0.246 235 1HG LYS 33 1HG LYS 33 -2.792 5.524 2.276 236 2HG LYS 33 2HG LYS 33 -3.894 6.731 1.627 237 1HD LYS 33 1HD LYS 33 -4.823 6.256 3.664 238 2HD LYS 33 2HD LYS 33 -5.839 5.347 2.539 239 1HE LYS 33 1HE LYS 33 -4.883 3.269 3.237 240 2HE LYS 33 2HE LYS 33 -3.482 4.073 3.988 241 1HZ LYS 33 1HZ LYS 33 -6.237 4.243 4.952 242 2HZ LYS 33 2HZ LYS 33 -5.047 3.284 5.575 243 3HZ LYS 33 3HZ LYS 33 -4.901 4.924 5.647 244 H ILE 34 H ILE 34 -5.534 2.520 -0.860 245 HA ILE 34 HA ILE 34 -3.930 2.367 -3.379 246 HB ILE 34 HB ILE 34 -6.289 0.674 -2.464 247 1HG1 ILE 34 1HG1 ILE 34 -4.196 0.055 -1.356 248 2HG1 ILE 34 2HG1 ILE 34 -4.829 -1.198 -2.409 249 1HG2 ILE 34 1HG2 ILE 34 -4.764 0.683 -5.100 250 2HG2 ILE 34 2HG2 ILE 34 -5.854 -0.620 -4.570 251 3HG2 ILE 34 3HG2 ILE 34 -6.487 1.006 -4.842 252 1HD1 ILE 34 1HD1 ILE 34 -2.500 0.655 -3.094 253 2HD1 ILE 34 2HD1 ILE 34 -2.385 -1.033 -2.589 254 3HD1 ILE 34 3HD1 ILE 34 -3.137 -0.635 -4.138 255 H ILE 35 H ILE 35 -4.456 4.077 -4.581 256 HA ILE 35 HA ILE 35 -7.312 4.515 -5.146 257 HB ILE 35 HB ILE 35 -7.037 6.902 -5.343 258 1HG1 ILE 35 1HG1 ILE 35 -4.225 6.547 -4.208 259 2HG1 ILE 35 2HG1 ILE 35 -4.655 7.113 -5.833 260 1HG2 ILE 35 1HG2 ILE 35 -7.794 5.832 -3.186 261 2HG2 ILE 35 2HG2 ILE 35 -6.152 6.089 -2.550 262 3HG2 ILE 35 3HG2 ILE 35 -7.167 7.471 -3.020 263 1HD1 ILE 35 1HD1 ILE 35 -5.163 8.549 -3.208 264 2HD1 ILE 35 2HD1 ILE 35 -4.145 9.062 -4.555 265 3HD1 ILE 35 3HD1 ILE 35 -5.904 9.033 -4.756 266 H SER 36 H SER 36 -7.725 4.883 -7.293 267 HA SER 36 HA SER 36 -5.513 4.226 -9.165 268 1HB SER 36 1HB SER 36 -8.531 4.182 -9.539 269 2HB SER 36 2HB SER 36 -7.309 3.554 -10.666 270 HG SER 36 HG SER 36 -8.172 1.914 -9.337 271 H ALA 37 H ALA 37 -5.845 6.960 -8.006 272 HA ALA 37 HA ALA 37 -6.922 8.611 -10.177 273 1HB ALA 37 1HB ALA 37 -5.582 9.353 -7.548 274 2HB ALA 37 2HB ALA 37 -6.491 10.441 -8.623 275 3HB ALA 37 3HB ALA 37 -7.329 9.122 -7.787 276 H SER 38 H SER 38 -4.029 6.999 -9.892 277 HA SER 38 HA SER 38 -1.900 7.272 -10.460 278 1HB SER 38 1HB SER 38 -3.022 7.653 -12.657 279 2HB SER 38 2HB SER 38 -2.866 9.397 -12.382 280 HG SER 38 HG SER 38 -1.110 8.583 -13.575 281 H THR 39 H THR 39 -2.774 8.700 -8.160 282 HA THR 39 HA THR 39 -0.721 10.794 -7.889 283 HB THR 39 HB THR 39 -3.699 11.261 -7.368 284 HG1 THR 39 1HG THR 39 -1.987 11.994 -9.470 285 1HG2 THR 39 1HG2 THR 39 -3.002 13.665 -7.149 286 2HG2 THR 39 2HG2 THR 39 -2.434 12.658 -5.826 287 3HG2 THR 39 3HG2 THR 39 -1.308 13.140 -7.124 288 H CYS 40 H CYS 40 -0.699 11.491 -5.496 289 HA CYS 40 HA CYS 40 -1.897 9.593 -3.620 290 1HB CYS 40 1HB CYS 40 1.083 10.235 -3.783 291 2HB CYS 40 2HB CYS 40 0.310 9.593 -2.339 292 HA PRO 41 HA PRO 41 -2.520 13.483 -1.568 293 1HB PRO 41 1HB PRO 41 -3.166 12.729 0.958 294 2HB PRO 41 2HB PRO 41 -4.205 12.309 -0.436 295 1HG PRO 41 1HG PRO 41 -2.066 10.589 0.844 296 2HG PRO 41 2HG PRO 41 -3.773 10.137 0.535 297 1HD PRO 41 1HD PRO 41 -1.787 9.464 -1.191 298 2HD PRO 41 2HD PRO 41 -3.384 9.985 -1.801 299 H SER 42 H SER 42 -1.575 14.889 0.035 300 HA SER 42 HA SER 42 1.268 14.525 0.468 301 1HB SER 42 1HB SER 42 0.232 16.693 -0.125 302 2HB SER 42 2HB SER 42 -0.613 16.717 1.435 303 HG SER 42 HG SER 42 1.372 17.871 1.461 304 H ASP 43 H ASP 43 0.897 12.490 1.644 305 HA ASP 43 HA ASP 43 1.127 12.718 4.505 306 1HB ASP 43 1HB ASP 43 -1.375 12.947 4.268 307 2HB ASP 43 2HB ASP 43 -1.402 11.408 3.398 308 HD2 ASP 43 HD ASP 43 -0.604 12.942 6.404 309 H TYR 44 H TYR 44 0.358 10.676 1.677 310 HA TYR 44 HA TYR 44 2.184 8.509 2.648 311 1HB TYR 44 1HB TYR 44 -0.214 8.407 0.800 312 2HB TYR 44 2HB TYR 44 0.891 7.082 1.148 313 HD1 TYR 44 1HD TYR 44 1.155 6.264 3.482 314 HD2 TYR 44 2HD TYR 44 -2.049 8.887 2.376 315 HE1 TYR 44 1HE TYR 44 -0.169 5.416 5.391 316 HE2 TYR 44 2HE TYR 44 -3.377 8.080 4.299 317 HH TYR 44 HH TYR 44 -2.229 5.386 6.382 318 HA PRO 45 HA PRO 45 3.847 10.947 -0.907 319 1HB PRO 45 1HB PRO 45 6.485 11.152 -0.218 320 2HB PRO 45 2HB PRO 45 5.188 12.124 0.533 321 1HG PRO 45 1HG PRO 45 6.319 9.512 1.577 322 2HG PRO 45 2HG PRO 45 6.200 11.068 2.456 323 1HD PRO 45 1HD PRO 45 4.311 9.190 2.742 324 2HD PRO 45 2HD PRO 45 3.825 10.901 2.519 325 H LYS 46 H LYS 46 4.946 7.708 0.133 326 HA LYS 46 HA LYS 46 6.363 7.348 -2.480 327 1HB LYS 46 1HB LYS 46 6.518 5.823 0.140 328 2HB LYS 46 2HB LYS 46 7.023 5.142 -1.395 329 1HG LYS 46 1HG LYS 46 8.993 5.960 -0.544 330 2HG LYS 46 2HG LYS 46 8.528 7.087 -1.811 331 1HD LYS 46 1HD LYS 46 9.426 8.273 0.074 332 2HD LYS 46 2HD LYS 46 7.717 8.683 -0.070 333 1HE LYS 46 1HE LYS 46 7.143 7.178 1.767 334 2HE LYS 46 2HE LYS 46 8.776 6.481 1.769 335 1HZ LYS 46 1HZ LYS 46 8.135 9.251 2.492 336 2HZ LYS 46 2HZ LYS 46 8.391 8.019 3.550 337 3HZ LYS 46 3HZ LYS 46 9.617 8.532 2.568 Start of MODEL 5 1 1H LYS 1 1H LYS 1 -2.636 6.888 -7.870 2 2H LYS 1 2H LYS 1 -2.787 5.563 -6.923 3 3H LYS 1 3H LYS 1 -1.850 6.833 -6.429 4 HA LYS 1 HA LYS 1 -1.386 5.015 -8.669 5 1HB LYS 1 1HB LYS 1 0.645 6.291 -9.204 6 2HB LYS 1 2HB LYS 1 -0.822 7.248 -9.376 7 1HG LYS 1 1HG LYS 1 -0.406 8.343 -7.201 8 2HG LYS 1 2HG LYS 1 1.077 7.385 -6.989 9 1HD LYS 1 1HD LYS 1 2.038 8.396 -9.013 10 2HD LYS 1 2HD LYS 1 0.530 9.287 -9.310 11 1HE LYS 1 1HE LYS 1 0.825 10.486 -7.141 12 2HE LYS 1 2HE LYS 1 2.357 9.626 -6.890 13 1HZ LYS 1 1HZ LYS 1 1.752 11.430 -9.129 14 2HZ LYS 1 2HZ LYS 1 2.686 11.794 -7.822 15 3HZ LYS 1 3HZ LYS 1 3.179 10.641 -8.889 16 H SER 2 H SER 2 -1.649 4.477 -5.752 17 HA SER 2 HA SER 2 -0.784 3.309 -4.133 18 1HB SER 2 1HB SER 2 0.750 1.609 -4.417 19 2HB SER 2 2HB SER 2 -0.014 1.778 -6.004 20 HG SER 2 HG SER 2 1.899 3.103 -6.512 21 H CYS 3 H CYS 3 0.010 4.228 -2.313 22 HA CYS 3 HA CYS 3 2.718 5.375 -2.332 23 1HB CYS 3 1HB CYS 3 0.318 7.083 -1.619 24 2HB CYS 3 2HB CYS 3 1.995 7.419 -1.179 25 H CYS 4 H CYS 4 3.753 5.000 -0.519 26 HA CYS 4 HA CYS 4 2.305 3.807 1.788 27 1HB CYS 4 1HB CYS 4 5.049 3.391 0.575 28 2HB CYS 4 2HB CYS 4 4.633 2.755 2.155 29 HA PRO 5 HA PRO 5 3.880 7.004 4.430 30 1HB PRO 5 1HB PRO 5 4.492 5.681 6.750 31 2HB PRO 5 2HB PRO 5 2.829 5.984 6.193 32 1HG PRO 5 1HG PRO 5 4.446 3.453 5.794 33 2HG PRO 5 2HG PRO 5 2.782 3.606 6.426 34 1HD PRO 5 1HD PRO 5 3.202 3.012 3.841 35 2HD PRO 5 2HD PRO 5 1.932 4.165 4.276 36 H ASN 6 H ASN 6 5.852 4.040 4.036 37 HA ASN 6 HA ASN 6 8.348 5.486 3.767 38 1HB ASN 6 1HB ASN 6 9.380 4.464 5.816 39 2HB ASN 6 2HB ASN 6 8.184 5.711 6.148 40 1HD2 ASN 6 2HD2 ASN 6 6.648 5.223 7.653 41 2HD2 ASN 6 1HD2 ASN 6 6.167 3.605 8.118 42 H THR 7 H THR 7 10.192 3.819 3.859 43 HA THR 7 HA THR 7 9.898 1.947 1.838 44 HB THR 7 HB THR 7 11.973 1.929 4.068 45 HG1 THR 7 1HG THR 7 13.052 3.416 2.764 46 1HG2 THR 7 1HG2 THR 7 13.479 1.116 2.270 47 2HG2 THR 7 2HG2 THR 7 12.137 -0.010 2.529 48 3HG2 THR 7 3HG2 THR 7 12.115 1.088 1.132 49 H THR 8 H THR 8 9.666 1.465 5.404 50 HA THR 8 HA THR 8 9.564 -1.381 5.284 51 HB THR 8 HB THR 8 8.312 0.330 7.454 52 HG1 THR 8 1HG THR 8 10.402 0.328 8.344 53 1HG2 THR 8 1HG2 THR 8 9.681 -2.399 7.431 54 2HG2 THR 8 2HG2 THR 8 9.070 -1.564 8.872 55 3HG2 THR 8 3HG2 THR 8 7.939 -2.108 7.620 56 H GLY 9 H GLY 9 7.090 1.179 5.043 57 1HA GLY 9 1HA GLY 9 4.727 -0.370 4.988 58 2HA GLY 9 2HA GLY 9 5.006 1.148 4.119 59 H ARG 10 H ARG 10 6.896 0.627 2.259 60 HA ARG 10 HA ARG 10 5.555 -0.870 0.253 61 1HB ARG 10 1HB ARG 10 8.435 0.078 0.491 62 2HB ARG 10 2HB ARG 10 7.847 -0.791 -0.927 63 1HG ARG 10 1HG ARG 10 6.539 1.748 0.088 64 2HG ARG 10 2HG ARG 10 7.870 1.747 -1.073 65 1HD ARG 10 1HD ARG 10 6.604 0.463 -2.690 66 2HD ARG 10 2HD ARG 10 5.247 0.268 -1.573 67 HE ARG 10 HE ARG 10 5.768 3.044 -1.860 68 1HH1 ARG 10 1HH2 ARG 10 4.382 0.338 -3.732 69 2HH1 ARG 10 2HH2 ARG 10 3.394 1.405 -4.709 70 1HH2 ARG 10 1HH1 ARG 10 4.526 4.354 -3.139 71 2HH2 ARG 10 2HH1 ARG 10 3.466 3.710 -4.376 72 H ASN 11 H ASN 11 8.276 -1.821 2.399 73 HA ASN 11 HA ASN 11 8.721 -4.369 1.284 74 1HB ASN 11 1HB ASN 11 10.269 -3.390 2.848 75 2HB ASN 11 2HB ASN 11 9.049 -3.335 4.122 76 1HD2 ASN 11 2HD2 ASN 11 8.683 -5.139 5.400 77 2HD2 ASN 11 1HD2 ASN 11 9.583 -6.630 5.220 78 H ILE 12 H ILE 12 6.508 -3.481 4.023 79 HA ILE 12 HA ILE 12 5.516 -6.109 4.440 80 HB ILE 12 HB ILE 12 4.314 -3.376 5.009 81 1HG1 ILE 12 1HG1 ILE 12 5.525 -5.391 6.948 82 2HG1 ILE 12 2HG1 ILE 12 6.522 -4.182 6.150 83 1HG2 ILE 12 1HG2 ILE 12 3.401 -6.159 5.879 84 2HG2 ILE 12 2HG2 ILE 12 2.826 -4.661 6.625 85 3HG2 ILE 12 3HG2 ILE 12 2.466 -4.984 4.935 86 1HD1 ILE 12 1HD1 ILE 12 4.185 -3.567 8.001 87 2HD1 ILE 12 2HD1 ILE 12 5.911 -3.357 8.325 88 3HD1 ILE 12 3HD1 ILE 12 5.122 -2.361 7.087 89 H TYR 13 H TYR 13 4.322 -3.418 2.392 90 HA TYR 13 HA TYR 13 1.968 -4.598 1.453 91 1HB TYR 13 1HB TYR 13 2.615 -2.232 1.156 92 2HB TYR 13 2HB TYR 13 3.858 -2.697 0.003 93 HD1 TYR 13 1HD TYR 13 0.245 -2.363 0.601 94 HD2 TYR 13 2HD TYR 13 3.253 -3.454 -2.281 95 HE1 TYR 13 1HE TYR 13 -1.482 -2.449 -1.169 96 HE2 TYR 13 2HE TYR 13 1.519 -3.570 -4.048 97 HH TYR 13 HH TYR 13 -1.949 -3.028 -3.315 98 H ASN 14 H ASN 14 5.221 -4.618 -0.091 99 HA ASN 14 HA ASN 14 4.579 -6.313 -2.267 100 1HB ASN 14 1HB ASN 14 7.151 -5.561 -0.838 101 2HB ASN 14 2HB ASN 14 7.148 -6.797 -2.090 102 1HD2 ASN 14 2HD2 ASN 14 6.163 -3.373 -1.540 103 2HD2 ASN 14 1HD2 ASN 14 6.398 -2.901 -3.213 104 H THR 15 H THR 15 5.939 -7.159 0.989 105 HA THR 15 HA THR 15 6.162 -9.920 0.531 106 HB THR 15 HB THR 15 5.503 -8.462 3.121 107 HG1 THR 15 1HG THR 15 7.747 -8.509 3.344 108 1HG2 THR 15 1HG2 THR 15 6.688 -11.229 2.602 109 2HG2 THR 15 2HG2 THR 15 6.621 -10.427 4.185 110 3HG2 THR 15 3HG2 THR 15 5.120 -10.890 3.369 111 H CYS 16 H CYS 16 3.321 -7.994 1.547 112 HA CYS 16 HA CYS 16 1.558 -10.216 1.887 113 1HB CYS 16 1HB CYS 16 1.184 -8.125 2.942 114 2HB CYS 16 2HB CYS 16 1.058 -7.267 1.418 115 H ARG 17 H ARG 17 2.398 -8.228 -0.997 116 HA ARG 17 HA ARG 17 0.456 -9.417 -2.735 117 1HB ARG 17 1HB ARG 17 3.230 -8.378 -3.463 118 2HB ARG 17 2HB ARG 17 1.934 -8.758 -4.574 119 1HG ARG 17 1HG ARG 17 2.042 -6.479 -2.586 120 2HG ARG 17 2HG ARG 17 2.016 -6.398 -4.337 121 1HD ARG 17 1HD ARG 17 -0.237 -7.225 -2.488 122 2HD ARG 17 2HD ARG 17 -0.151 -5.771 -3.464 123 HE ARG 17 HE ARG 17 -0.135 -7.226 -5.500 124 1HH1 ARG 17 1HH2 ARG 17 -1.754 -8.398 -2.534 125 2HH1 ARG 17 2HH2 ARG 17 -2.854 -9.407 -3.428 126 1HH2 ARG 17 1HH1 ARG 17 -1.671 -8.491 -6.606 127 2HH2 ARG 17 2HH1 ARG 17 -2.828 -9.446 -5.717 128 H PHE 18 H PHE 18 3.866 -10.327 -2.035 129 HA PHE 18 HA PHE 18 3.905 -12.673 -3.643 130 1HB PHE 18 1HB PHE 18 5.512 -11.705 -1.274 131 2HB PHE 18 2HB PHE 18 5.698 -13.352 -1.846 132 HD1 PHE 18 1HD PHE 18 6.362 -9.817 -2.682 133 HD2 PHE 18 2HD PHE 18 6.663 -13.907 -4.010 134 HE1 PHE 18 1HE PHE 18 7.934 -9.121 -4.453 135 HE2 PHE 18 2HE PHE 18 8.303 -13.215 -5.735 136 HZ PHE 18 HZ PHE 18 8.935 -10.821 -5.967 137 H ALA 19 H ALA 19 2.839 -12.180 -0.252 138 HA ALA 19 HA ALA 19 2.445 -14.929 0.377 139 1HB ALA 19 1HB ALA 19 2.561 -13.133 2.064 140 2HB ALA 19 2HB ALA 19 1.019 -12.475 1.473 141 3HB ALA 19 3HB ALA 19 1.070 -14.084 2.214 142 H GLY 20 H GLY 20 0.306 -12.443 -1.053 143 1HA GLY 20 1HA GLY 20 -1.090 -13.005 -2.879 144 2HA GLY 20 2HA GLY 20 -1.392 -14.607 -2.210 145 H GLY 21 H GLY 21 -1.577 -11.291 -0.788 146 1HA GLY 21 1HA GLY 21 -4.370 -11.696 0.095 147 2HA GLY 21 2HA GLY 21 -3.362 -10.255 0.297 148 H SER 22 H SER 22 -5.427 -9.162 -0.482 149 HA SER 22 HA SER 22 -5.382 -8.880 -3.457 150 1HB SER 22 1HB SER 22 -7.330 -7.453 -3.166 151 2HB SER 22 2HB SER 22 -7.629 -9.056 -2.487 152 HG SER 22 HG SER 22 -8.316 -7.410 -1.080 153 H ARG 23 H ARG 23 -5.077 -6.681 -4.244 154 HA ARG 23 HA ARG 23 -2.909 -5.276 -3.122 155 1HB ARG 23 1HB ARG 23 -5.131 -4.308 -4.981 156 2HB ARG 23 2HB ARG 23 -3.695 -3.379 -4.557 157 1HG ARG 23 1HG ARG 23 -2.374 -5.534 -5.353 158 2HG ARG 23 2HG ARG 23 -3.896 -5.938 -6.164 159 1HD ARG 23 1HD ARG 23 -2.538 -4.779 -7.739 160 2HD ARG 23 2HD ARG 23 -3.792 -3.623 -7.240 161 HE ARG 23 HE ARG 23 -1.520 -3.350 -5.531 162 1HH1 ARG 23 1HH2 ARG 23 -2.473 -2.646 -8.881 163 2HH1 ARG 23 2HH2 ARG 23 -1.281 -1.387 -9.082 164 1HH2 ARG 23 1HH1 ARG 23 0.038 -1.734 -5.813 165 2HH2 ARG 23 2HH1 ARG 23 0.165 -0.869 -7.326 166 H GLU 24 H GLU 24 -6.419 -4.713 -2.740 167 HA GLU 24 HA GLU 24 -6.210 -2.339 -1.192 168 1HB GLU 24 1HB GLU 24 -8.409 -4.445 -1.339 169 2HB GLU 24 2HB GLU 24 -8.555 -2.876 -0.527 170 1HG GLU 24 1HG GLU 24 -8.064 -1.716 -2.675 171 2HG GLU 24 2HG GLU 24 -7.964 -3.284 -3.494 172 HE2 GLU 24 HE GLU 24 -11.587 -1.914 -2.246 173 H ARG 25 H ARG 25 -6.681 -5.787 -0.126 174 HA ARG 25 HA ARG 25 -6.736 -5.252 2.635 175 1HB ARG 25 1HB ARG 25 -7.393 -7.347 1.491 176 2HB ARG 25 2HB ARG 25 -5.694 -7.729 1.184 177 1HG ARG 25 1HG ARG 25 -5.219 -7.920 3.538 178 2HG ARG 25 2HG ARG 25 -6.791 -7.237 3.991 179 1HD ARG 25 1HD ARG 25 -6.433 -9.867 2.486 180 2HD ARG 25 2HD ARG 25 -6.634 -9.712 4.243 181 HE ARG 25 HE ARG 25 -8.745 -8.318 2.943 182 1HH1 ARG 25 1HH2 ARG 25 -7.685 -11.649 3.577 183 2HH1 ARG 25 2HH2 ARG 25 -9.307 -12.288 3.607 184 1HH2 ARG 25 1HH1 ARG 25 -10.862 -9.172 2.982 185 2HH2 ARG 25 2HH1 ARG 25 -11.121 -10.875 3.262 186 H CYS 26 H CYS 26 -3.997 -6.031 0.479 187 HA CYS 26 HA CYS 26 -1.957 -5.940 2.460 188 1HB CYS 26 1HB CYS 26 -1.841 -5.396 -0.528 189 2HB CYS 26 2HB CYS 26 -0.441 -5.589 0.523 190 H ALA 27 H ALA 27 -3.432 -3.330 0.494 191 HA ALA 27 HA ALA 27 -1.693 -1.233 1.262 192 1HB ALA 27 1HB ALA 27 -3.581 -1.237 -0.493 193 2HB ALA 27 2HB ALA 27 -4.680 -0.862 0.839 194 3HB ALA 27 3HB ALA 27 -3.353 0.233 0.454 195 H LYS 28 H LYS 28 -4.816 -2.263 2.746 196 HA LYS 28 HA LYS 28 -4.758 -0.545 4.978 197 1HB LYS 28 1HB LYS 28 -6.052 -3.205 4.347 198 2HB LYS 28 2HB LYS 28 -6.035 -2.641 6.010 199 1HG LYS 28 1HG LYS 28 -8.084 -1.918 5.060 200 2HG LYS 28 2HG LYS 28 -7.081 -0.479 5.289 201 1HD LYS 28 1HD LYS 28 -6.514 -0.481 2.872 202 2HD LYS 28 2HD LYS 28 -7.437 -1.995 2.675 203 1HE LYS 28 1HE LYS 28 -9.500 -0.795 3.413 204 2HE LYS 28 2HE LYS 28 -8.569 0.715 3.473 205 1HZ LYS 28 1HZ LYS 28 -8.973 -0.963 1.092 206 2HZ LYS 28 2HZ LYS 28 -9.758 0.449 1.417 207 3HZ LYS 28 3HZ LYS 28 -8.134 0.455 1.136 208 H LEU 29 H LEU 29 -3.584 -3.931 4.758 209 HA LEU 29 HA LEU 29 -2.679 -4.263 7.354 210 1HB LEU 29 1HB LEU 29 -2.901 -6.060 5.695 211 2HB LEU 29 2HB LEU 29 -1.594 -5.360 4.736 212 HG LEU 29 HG LEU 29 0.021 -5.830 6.582 213 1HD1 LEU 29 1HD1 LEU 29 -1.503 -5.844 8.524 214 2HD1 LEU 29 2HD1 LEU 29 -2.358 -7.256 7.861 215 3HD1 LEU 29 3HD1 LEU 29 -0.666 -7.392 8.383 216 1HD2 LEU 29 1HD2 LEU 29 -1.594 -8.183 5.529 217 2HD2 LEU 29 2HD2 LEU 29 -0.227 -7.374 4.734 218 3HD2 LEU 29 3HD2 LEU 29 0.037 -8.287 6.229 219 H SER 30 H SER 30 -0.901 -2.970 4.539 220 HA SER 30 HA SER 30 1.616 -2.676 5.951 221 1HB SER 30 1HB SER 30 2.345 -1.570 3.893 222 2HB SER 30 2HB SER 30 1.505 -3.092 3.529 223 HG SER 30 HG SER 30 -0.360 -1.867 3.074 224 H GLY 31 H GLY 31 -1.134 -0.582 5.209 225 1HA GLY 31 1HA GLY 31 -1.642 1.395 6.464 226 2HA GLY 31 2HA GLY 31 0.081 1.702 6.714 227 H CYS 32 H CYS 32 -0.015 0.585 3.577 228 HA CYS 32 HA CYS 32 0.259 3.240 2.465 229 1HB CYS 32 1HB CYS 32 0.007 0.607 0.969 230 2HB CYS 32 2HB CYS 32 0.733 2.090 0.392 231 H LYS 33 H LYS 33 -0.981 4.008 0.613 232 HA LYS 33 HA LYS 33 -3.870 3.248 0.626 233 1HB LYS 33 1HB LYS 33 -2.520 5.673 -0.598 234 2HB LYS 33 2HB LYS 33 -4.254 5.381 -0.452 235 1HG LYS 33 1HG LYS 33 -2.294 5.882 1.826 236 2HG LYS 33 2HG LYS 33 -3.400 7.045 1.102 237 1HD LYS 33 1HD LYS 33 -4.567 6.523 2.960 238 2HD LYS 33 2HD LYS 33 -5.308 5.402 1.817 239 1HE LYS 33 1HE LYS 33 -4.337 3.538 2.859 240 2HE LYS 33 2HE LYS 33 -2.937 4.456 3.449 241 1HZ LYS 33 1HZ LYS 33 -5.643 4.700 4.521 242 2HZ LYS 33 2HZ LYS 33 -4.413 3.823 5.186 243 3HZ LYS 33 3HZ LYS 33 -4.278 5.459 5.069 244 H ILE 34 H ILE 34 -4.667 2.262 -1.151 245 HA ILE 34 HA ILE 34 -3.215 2.448 -3.754 246 HB ILE 34 HB ILE 34 -4.930 0.229 -2.570 247 1HG1 ILE 34 1HG1 ILE 34 -2.472 0.303 -1.953 248 2HG1 ILE 34 2HG1 ILE 34 -3.064 -1.171 -2.720 249 1HG2 ILE 34 1HG2 ILE 34 -3.995 0.601 -5.442 250 2HG2 ILE 34 2HG2 ILE 34 -4.539 -0.953 -4.766 251 3HG2 ILE 34 3HG2 ILE 34 -5.655 0.410 -4.852 252 1HD1 ILE 34 1HD1 ILE 34 -1.591 1.029 -4.215 253 2HD1 ILE 34 2HD1 ILE 34 -0.825 -0.418 -3.548 254 3HD1 ILE 34 3HD1 ILE 34 -2.035 -0.576 -4.832 255 H ILE 35 H ILE 35 -4.198 4.049 -4.800 256 HA ILE 35 HA ILE 35 -7.106 3.860 -5.212 257 HB ILE 35 HB ILE 35 -7.368 6.276 -5.147 258 1HG1 ILE 35 1HG1 ILE 35 -4.524 6.415 -4.038 259 2HG1 ILE 35 2HG1 ILE 35 -5.058 6.999 -5.622 260 1HG2 ILE 35 1HG2 ILE 35 -6.229 5.328 -2.488 261 2HG2 ILE 35 2HG2 ILE 35 -7.522 6.514 -2.758 262 3HG2 ILE 35 3HG2 ILE 35 -7.804 4.816 -3.133 263 1HD1 ILE 35 1HD1 ILE 35 -6.643 8.566 -4.486 264 2HD1 ILE 35 2HD1 ILE 35 -5.923 8.094 -2.926 265 3HD1 ILE 35 3HD1 ILE 35 -4.933 8.886 -4.153 266 H SER 36 H SER 36 -7.727 4.337 -7.282 267 HA SER 36 HA SER 36 -5.558 4.343 -9.299 268 1HB SER 36 1HB SER 36 -8.538 3.807 -9.575 269 2HB SER 36 2HB SER 36 -7.289 3.526 -10.803 270 HG SER 36 HG SER 36 -6.330 2.033 -9.356 271 H ALA 37 H ALA 37 -6.192 6.838 -7.857 272 HA ALA 37 HA ALA 37 -7.660 8.519 -9.779 273 1HB ALA 37 1HB ALA 37 -7.991 8.756 -7.342 274 2HB ALA 37 2HB ALA 37 -6.272 9.165 -7.150 275 3HB ALA 37 3HB ALA 37 -7.351 10.242 -8.066 276 H SER 38 H SER 38 -4.690 7.235 -10.044 277 HA SER 38 HA SER 38 -2.623 7.792 -10.682 278 1HB SER 38 1HB SER 38 -3.913 8.380 -12.705 279 2HB SER 38 2HB SER 38 -4.021 10.057 -12.136 280 HG SER 38 HG SER 38 -1.712 10.072 -12.147 281 H THR 39 H THR 39 -3.554 8.894 -8.128 282 HA THR 39 HA THR 39 -1.719 11.152 -7.671 283 HB THR 39 HB THR 39 -4.744 11.237 -7.203 284 HG1 THR 39 1HG THR 39 -4.316 11.625 -9.330 285 1HG2 THR 39 1HG2 THR 39 -4.304 13.667 -6.677 286 2HG2 THR 39 2HG2 THR 39 -3.723 12.551 -5.446 287 3HG2 THR 39 3HG2 THR 39 -2.572 13.288 -6.596 288 H CYS 40 H CYS 40 -1.653 11.619 -5.302 289 HA CYS 40 HA CYS 40 -2.758 9.597 -3.484 290 1HB CYS 40 1HB CYS 40 0.166 10.443 -3.553 291 2HB CYS 40 2HB CYS 40 -0.592 9.505 -2.267 292 HA PRO 41 HA PRO 41 -3.293 13.533 -1.335 293 1HB PRO 41 1HB PRO 41 -3.887 12.748 1.195 294 2HB PRO 41 2HB PRO 41 -4.988 12.426 -0.175 295 1HG PRO 41 1HG PRO 41 -2.939 10.540 1.021 296 2HG PRO 41 2HG PRO 41 -4.666 10.209 0.701 297 1HD PRO 41 1HD PRO 41 -2.692 9.490 -1.049 298 2HD PRO 41 2HD PRO 41 -4.288 10.048 -1.632 299 H SER 42 H SER 42 -2.176 14.876 0.227 300 HA SER 42 HA SER 42 0.657 14.303 0.441 301 1HB SER 42 1HB SER 42 -0.270 16.537 -0.101 302 2HB SER 42 2HB SER 42 -0.939 16.647 1.539 303 HG SER 42 HG SER 42 1.139 17.621 1.327 304 H ASP 43 H ASP 43 0.210 12.312 1.674 305 HA ASP 43 HA ASP 43 0.542 12.724 4.584 306 1HB ASP 43 1HB ASP 43 -1.615 10.970 3.328 307 2HB ASP 43 2HB ASP 43 -1.108 10.867 5.019 308 HD2 ASP 43 HD ASP 43 -2.576 13.962 5.918 309 H TYR 44 H TYR 44 0.529 10.544 1.749 310 HA TYR 44 HA TYR 44 2.539 8.770 3.054 311 1HB TYR 44 1HB TYR 44 0.578 8.201 0.820 312 2HB TYR 44 2HB TYR 44 1.730 7.077 1.525 313 HD1 TYR 44 1HD TYR 44 1.504 6.403 3.937 314 HD2 TYR 44 2HD TYR 44 -1.485 8.801 2.004 315 HE1 TYR 44 1HE TYR 44 -0.109 5.768 5.695 316 HE2 TYR 44 2HE TYR 44 -3.089 8.251 3.806 317 HH TYR 44 HH TYR 44 -2.264 6.015 6.486 318 HA PRO 45 HA PRO 45 4.781 11.065 -0.167 319 1HB PRO 45 1HB PRO 45 7.293 11.005 0.844 320 2HB PRO 45 2HB PRO 45 5.983 11.963 1.594 321 1HG PRO 45 1HG PRO 45 6.924 9.198 2.396 322 2HG PRO 45 2HG PRO 45 6.696 10.618 3.452 323 1HD PRO 45 1HD PRO 45 4.790 8.693 3.152 324 2HD PRO 45 2HD PRO 45 4.346 10.414 3.363 325 H LYS 46 H LYS 46 5.341 7.672 0.712 326 HA LYS 46 HA LYS 46 7.257 7.340 -1.545 327 1HB LYS 46 1HB LYS 46 6.545 5.342 0.621 328 2HB LYS 46 2HB LYS 46 7.867 5.266 -0.544 329 1HG LYS 46 1HG LYS 46 7.532 7.042 1.879 330 2HG LYS 46 2HG LYS 46 8.788 5.848 1.551 331 1HD LYS 46 1HD LYS 46 8.493 8.533 0.129 332 2HD LYS 46 2HD LYS 46 9.632 8.139 1.413 333 1HE LYS 46 1HE LYS 46 10.700 6.428 -0.011 334 2HE LYS 46 2HE LYS 46 9.572 6.801 -1.328 335 1HZ LYS 46 1HZ LYS 46 11.472 8.693 -0.139 336 2HZ LYS 46 2HZ LYS 46 11.646 7.930 -1.590 337 3HZ LYS 46 3HZ LYS 46 10.427 9.017 -1.372 Start of MODEL 6 1 1H LYS 1 1H LYS 1 -2.901 3.822 -9.569 2 2H LYS 1 2H LYS 1 -2.991 2.677 -8.382 3 3H LYS 1 3H LYS 1 -3.527 4.207 -8.089 4 HA LYS 1 HA LYS 1 -0.784 3.433 -8.644 5 1HB LYS 1 1HB LYS 1 -1.470 5.709 -9.439 6 2HB LYS 1 2HB LYS 1 -1.828 6.152 -7.760 7 1HG LYS 1 1HG LYS 1 0.567 5.751 -7.161 8 2HG LYS 1 2HG LYS 1 0.872 5.172 -8.804 9 1HD LYS 1 1HD LYS 1 1.687 7.379 -8.775 10 2HD LYS 1 2HD LYS 1 0.158 7.459 -9.662 11 1HE LYS 1 1HE LYS 1 -0.956 8.281 -7.548 12 2HE LYS 1 2HE LYS 1 0.619 8.201 -6.736 13 1HZ LYS 1 1HZ LYS 1 1.440 9.802 -8.309 14 2HZ LYS 1 2HZ LYS 1 -0.046 9.912 -9.024 15 3HZ LYS 1 3HZ LYS 1 0.154 10.388 -7.464 16 H SER 2 H SER 2 0.409 2.815 -6.927 17 HA SER 2 HA SER 2 -0.902 2.560 -4.298 18 1HB SER 2 1HB SER 2 0.072 0.573 -5.379 19 2HB SER 2 2HB SER 2 1.658 1.360 -5.421 20 HG SER 2 HG SER 2 1.542 1.437 -3.107 21 H CYS 3 H CYS 3 -0.193 3.625 -2.512 22 HA CYS 3 HA CYS 3 2.190 5.426 -2.633 23 1HB CYS 3 1HB CYS 3 -0.714 6.163 -2.129 24 2HB CYS 3 2HB CYS 3 0.647 7.208 -1.709 25 H CYS 4 H CYS 4 3.365 5.033 -0.844 26 HA CYS 4 HA CYS 4 2.036 3.830 1.539 27 1HB CYS 4 1HB CYS 4 4.731 3.391 0.229 28 2HB CYS 4 2HB CYS 4 4.384 2.821 1.850 29 HA PRO 5 HA PRO 5 3.716 7.104 4.031 30 1HB PRO 5 1HB PRO 5 4.257 5.837 6.403 31 2HB PRO 5 2HB PRO 5 2.613 6.203 5.838 32 1HG PRO 5 1HG PRO 5 4.101 3.584 5.572 33 2HG PRO 5 2HG PRO 5 2.426 3.849 6.135 34 1HD PRO 5 1HD PRO 5 2.939 3.105 3.593 35 2HD PRO 5 2HD PRO 5 1.669 4.295 3.933 36 H ASN 6 H ASN 6 5.592 4.047 3.854 37 HA ASN 6 HA ASN 6 8.108 5.464 3.568 38 1HB ASN 6 1HB ASN 6 9.083 4.544 5.684 39 2HB ASN 6 2HB ASN 6 7.873 5.795 5.933 40 1HD2 ASN 6 2HD2 ASN 6 6.273 5.352 7.404 41 2HD2 ASN 6 1HD2 ASN 6 5.803 3.748 7.921 42 H THR 7 H THR 7 9.950 3.812 3.786 43 HA THR 7 HA THR 7 9.641 1.835 1.842 44 HB THR 7 HB THR 7 11.826 2.076 3.945 45 HG1 THR 7 1HG THR 7 12.746 3.496 2.447 46 1HG2 THR 7 1HG2 THR 7 11.830 0.972 1.095 47 2HG2 THR 7 2HG2 THR 7 13.272 1.216 2.100 48 3HG2 THR 7 3HG2 THR 7 12.053 0.029 2.586 49 H THR 8 H THR 8 9.305 1.594 5.399 50 HA THR 8 HA THR 8 9.360 -1.297 5.434 51 HB THR 8 HB THR 8 8.139 0.550 7.514 52 HG1 THR 8 1HG THR 8 10.320 1.058 7.103 53 1HG2 THR 8 1HG2 THR 8 9.215 -2.303 7.623 54 2HG2 THR 8 2HG2 THR 8 8.708 -1.338 9.024 55 3HG2 THR 8 3HG2 THR 8 7.516 -1.811 7.802 56 H GLY 9 H GLY 9 6.839 1.223 5.101 57 1HA GLY 9 1HA GLY 9 4.525 -0.412 5.083 58 2HA GLY 9 2HA GLY 9 4.734 1.123 4.222 59 H ARG 10 H ARG 10 6.675 0.663 2.387 60 HA ARG 10 HA ARG 10 5.478 -0.836 0.312 61 1HB ARG 10 1HB ARG 10 8.358 0.038 0.762 62 2HB ARG 10 2HB ARG 10 7.829 -0.761 -0.715 63 1HG ARG 10 1HG ARG 10 6.514 1.784 0.296 64 2HG ARG 10 2HG ARG 10 7.947 1.795 -0.739 65 1HD ARG 10 1HD ARG 10 6.801 0.578 -2.501 66 2HD ARG 10 2HD ARG 10 5.354 0.386 -1.498 67 HE ARG 10 HE ARG 10 6.119 3.162 -1.797 68 1HH1 ARG 10 1HH2 ARG 10 4.514 0.513 -3.532 69 2HH1 ARG 10 2HH2 ARG 10 3.509 1.587 -4.470 70 1HH2 ARG 10 1HH1 ARG 10 4.692 4.526 -2.895 71 2HH2 ARG 10 2HH1 ARG 10 3.610 3.896 -4.115 72 H ASN 11 H ASN 11 8.092 -1.801 2.596 73 HA ASN 11 HA ASN 11 8.553 -4.358 1.501 74 1HB ASN 11 1HB ASN 11 10.099 -3.450 3.067 75 2HB ASN 11 2HB ASN 11 8.866 -3.261 4.311 76 1HD2 ASN 11 2HD2 ASN 11 8.353 -4.959 5.667 77 2HD2 ASN 11 1HD2 ASN 11 9.163 -6.510 5.597 78 H ILE 12 H ILE 12 6.281 -3.460 4.191 79 HA ILE 12 HA ILE 12 5.306 -6.084 4.617 80 HB ILE 12 HB ILE 12 4.010 -3.375 5.082 81 1HG1 ILE 12 1HG1 ILE 12 5.278 -5.284 7.092 82 2HG1 ILE 12 2HG1 ILE 12 6.204 -4.017 6.303 83 1HG2 ILE 12 1HG2 ILE 12 2.246 -5.125 4.990 84 2HG2 ILE 12 2HG2 ILE 12 3.188 -6.144 6.094 85 3HG2 ILE 12 3HG2 ILE 12 2.486 -4.615 6.651 86 1HD1 ILE 12 1HD1 ILE 12 4.650 -2.292 7.184 87 2HD1 ILE 12 2HD1 ILE 12 3.797 -3.555 8.101 88 3HD1 ILE 12 3HD1 ILE 12 5.495 -3.208 8.446 89 H TYR 13 H TYR 13 4.062 -3.442 2.536 90 HA TYR 13 HA TYR 13 1.803 -4.703 1.500 91 1HB TYR 13 1HB TYR 13 2.230 -2.347 1.192 92 2HB TYR 13 2HB TYR 13 3.719 -2.667 0.316 93 HD1 TYR 13 1HD TYR 13 3.644 -2.392 -2.008 94 HD2 TYR 13 2HD TYR 13 0.072 -3.572 0.089 95 HE1 TYR 13 1HE TYR 13 2.385 -2.350 -4.135 96 HE2 TYR 13 2HE TYR 13 -1.192 -3.536 -2.045 97 HH TYR 13 HH TYR 13 0.352 -2.687 -5.165 98 H ASN 14 H ASN 14 5.101 -4.602 0.052 99 HA ASN 14 HA ASN 14 4.545 -6.291 -2.144 100 1HB ASN 14 1HB ASN 14 7.082 -5.421 -0.737 101 2HB ASN 14 2HB ASN 14 7.133 -6.649 -1.991 102 1HD2 ASN 14 2HD2 ASN 14 6.243 -3.238 -1.407 103 2HD2 ASN 14 1HD2 ASN 14 6.333 -2.779 -3.097 104 H THR 15 H THR 15 5.773 -7.132 1.146 105 HA THR 15 HA THR 15 6.255 -9.875 0.568 106 HB THR 15 HB THR 15 5.560 -8.508 3.204 107 HG1 THR 15 1HG THR 15 8.021 -9.169 1.955 108 1HG2 THR 15 1HG2 THR 15 6.782 -10.442 4.215 109 2HG2 THR 15 2HG2 THR 15 5.264 -10.931 3.449 110 3HG2 THR 15 3HG2 THR 15 6.811 -11.233 2.626 111 H CYS 16 H CYS 16 3.362 -8.183 1.843 112 HA CYS 16 HA CYS 16 1.746 -10.507 2.186 113 1HB CYS 16 1HB CYS 16 1.269 -8.491 3.334 114 2HB CYS 16 2HB CYS 16 1.155 -7.556 1.851 115 H ARG 17 H ARG 17 2.077 -8.206 -0.557 116 HA ARG 17 HA ARG 17 0.177 -9.378 -2.293 117 1HB ARG 17 1HB ARG 17 2.774 -7.879 -2.783 118 2HB ARG 17 2HB ARG 17 1.704 -8.344 -4.098 119 1HG ARG 17 1HG ARG 17 0.449 -6.828 -1.816 120 2HG ARG 17 2HG ARG 17 1.581 -5.951 -2.852 121 1HD ARG 17 1HD ARG 17 -0.719 -5.718 -3.648 122 2HD ARG 17 2HD ARG 17 0.339 -6.475 -4.832 123 HE ARG 17 HE ARG 17 -1.492 -8.030 -3.014 124 1HH1 ARG 17 1HH2 ARG 17 -0.338 -7.459 -6.358 125 2HH1 ARG 17 2HH2 ARG 17 -1.185 -8.848 -6.977 126 1HH2 ARG 17 1HH1 ARG 17 -2.575 -9.791 -3.884 127 2HH2 ARG 17 2HH1 ARG 17 -2.489 -10.151 -5.592 128 H PHE 18 H PHE 18 3.663 -10.086 -1.839 129 HA PHE 18 HA PHE 18 3.897 -12.086 -3.836 130 1HB PHE 18 1HB PHE 18 5.831 -11.010 -2.886 131 2HB PHE 18 2HB PHE 18 5.432 -11.570 -1.268 132 HD1 PHE 18 1HD PHE 18 6.104 -13.741 -0.487 133 HD2 PHE 18 2HD PHE 18 6.486 -12.728 -4.662 134 HE1 PHE 18 1HE PHE 18 7.424 -15.804 -0.869 135 HE2 PHE 18 2HE PHE 18 7.799 -14.801 -5.040 136 HZ PHE 18 HZ PHE 18 8.273 -16.338 -3.145 137 H ALA 19 H ALA 19 3.117 -12.325 -0.329 138 HA ALA 19 HA ALA 19 2.902 -15.140 -0.172 139 1HB ALA 19 1HB ALA 19 2.987 -13.663 1.791 140 2HB ALA 19 2HB ALA 19 1.386 -13.007 1.392 141 3HB ALA 19 3HB ALA 19 1.559 -14.715 1.839 142 H GLY 20 H GLY 20 0.525 -12.649 -1.115 143 1HA GLY 20 1HA GLY 20 -0.798 -13.245 -3.080 144 2HA GLY 20 2HA GLY 20 -1.218 -14.778 -2.316 145 H GLY 21 H GLY 21 -1.069 -11.666 -0.565 146 1HA GLY 21 1HA GLY 21 -3.931 -11.833 0.083 147 2HA GLY 21 2HA GLY 21 -2.745 -10.694 0.730 148 H SER 22 H SER 22 -5.441 -10.184 -0.499 149 HA SER 22 HA SER 22 -5.249 -9.206 -3.118 150 1HB SER 22 1HB SER 22 -7.044 -8.149 -0.905 151 2HB SER 22 2HB SER 22 -7.347 -8.099 -2.649 152 HG SER 22 HG SER 22 -8.439 -9.839 -1.677 153 H ARG 23 H ARG 23 -5.115 -7.041 -3.932 154 HA ARG 23 HA ARG 23 -2.922 -5.558 -3.059 155 1HB ARG 23 1HB ARG 23 -5.325 -4.737 -4.726 156 2HB ARG 23 2HB ARG 23 -3.871 -3.746 -4.531 157 1HG ARG 23 1HG ARG 23 -2.468 -5.484 -5.510 158 2HG ARG 23 2HG ARG 23 -3.850 -6.584 -5.669 159 1HD ARG 23 1HD ARG 23 -3.635 -3.847 -6.982 160 2HD ARG 23 2HD ARG 23 -3.259 -5.361 -7.799 161 HE ARG 23 HE ARG 23 -5.890 -4.264 -7.111 162 1HH1 ARG 23 1HH2 ARG 23 -4.159 -7.235 -8.002 163 2HH1 ARG 23 2HH2 ARG 23 -5.587 -8.034 -8.606 164 1HH2 ARG 23 1HH1 ARG 23 -7.750 -5.316 -7.941 165 2HH2 ARG 23 2HH1 ARG 23 -7.632 -6.942 -8.565 166 H GLU 24 H GLU 24 -6.379 -4.723 -2.656 167 HA GLU 24 HA GLU 24 -6.055 -2.411 -1.089 168 1HB GLU 24 1HB GLU 24 -8.311 -4.466 -1.160 169 2HB GLU 24 2HB GLU 24 -8.402 -2.887 -0.360 170 1HG GLU 24 1HG GLU 24 -7.962 -1.756 -2.531 171 2HG GLU 24 2HG GLU 24 -7.880 -3.328 -3.339 172 HE2 GLU 24 HE GLU 24 -9.972 -1.455 -1.259 173 H ARG 25 H ARG 25 -6.473 -5.836 -0.048 174 HA ARG 25 HA ARG 25 -6.632 -5.319 2.698 175 1HB ARG 25 1HB ARG 25 -7.246 -7.393 1.408 176 2HB ARG 25 2HB ARG 25 -5.540 -7.847 1.375 177 1HG ARG 25 1HG ARG 25 -5.471 -8.059 3.786 178 2HG ARG 25 2HG ARG 25 -7.014 -7.207 3.962 179 1HD ARG 25 1HD ARG 25 -7.432 -9.536 4.304 180 2HD ARG 25 2HD ARG 25 -8.196 -9.015 2.794 181 HE ARG 25 HE ARG 25 -5.506 -10.155 2.503 182 1HH1 ARG 25 1HH2 ARG 25 -8.982 -10.914 2.586 183 2HH1 ARG 25 2HH2 ARG 25 -8.789 -12.450 1.784 184 1HH2 ARG 25 1HH1 ARG 25 -5.275 -12.222 1.539 185 2HH2 ARG 25 2HH1 ARG 25 -6.680 -13.182 1.164 186 H CYS 26 H CYS 26 -3.806 -6.268 0.717 187 HA CYS 26 HA CYS 26 -1.858 -6.227 2.790 188 1HB CYS 26 1HB CYS 26 -1.621 -5.742 -0.211 189 2HB CYS 26 2HB CYS 26 -0.259 -5.979 0.881 190 H ALA 27 H ALA 27 -3.043 -3.661 0.588 191 HA ALA 27 HA ALA 27 -1.188 -1.664 1.371 192 1HB ALA 27 1HB ALA 27 -4.034 -1.346 0.361 193 2HB ALA 27 2HB ALA 27 -2.743 -0.127 0.329 194 3HB ALA 27 3HB ALA 27 -2.582 -1.600 -0.633 195 H LYS 28 H LYS 28 -4.460 -2.521 2.635 196 HA LYS 28 HA LYS 28 -4.624 -0.551 4.628 197 1HB LYS 28 1HB LYS 28 -6.206 -2.584 3.670 198 2HB LYS 28 2HB LYS 28 -5.788 -3.241 5.242 199 1HG LYS 28 1HG LYS 28 -6.978 -0.475 4.699 200 2HG LYS 28 2HG LYS 28 -7.896 -1.923 5.123 201 1HD LYS 28 1HD LYS 28 -6.725 -2.061 7.302 202 2HD LYS 28 2HD LYS 28 -5.788 -0.606 6.898 203 1HE LYS 28 1HE LYS 28 -7.835 0.734 6.750 204 2HE LYS 28 2HE LYS 28 -8.834 -0.702 7.050 205 1HZ LYS 28 1HZ LYS 28 -6.888 0.434 8.933 206 2HZ LYS 28 2HZ LYS 28 -8.525 0.611 9.009 207 3HZ LYS 28 3HZ LYS 28 -7.849 -0.879 9.204 208 H LEU 29 H LEU 29 -3.387 -3.913 4.803 209 HA LEU 29 HA LEU 29 -2.713 -4.035 7.502 210 1HB LEU 29 1HB LEU 29 -2.782 -5.940 5.895 211 2HB LEU 29 2HB LEU 29 -1.326 -5.320 5.116 212 HG LEU 29 HG LEU 29 -0.055 -5.668 7.256 213 1HD1 LEU 29 1HD1 LEU 29 -2.661 -7.000 8.132 214 2HD1 LEU 29 2HD1 LEU 29 -1.096 -7.204 8.945 215 3HD1 LEU 29 3HD1 LEU 29 -1.865 -5.613 8.911 216 1HD2 LEU 29 1HD2 LEU 29 0.006 -7.310 5.444 217 2HD2 LEU 29 2HD2 LEU 29 0.035 -8.130 7.015 218 3HD2 LEU 29 3HD2 LEU 29 -1.467 -8.089 6.066 219 H SER 30 H SER 30 -0.785 -2.882 4.736 220 HA SER 30 HA SER 30 1.614 -2.357 6.301 221 1HB SER 30 1HB SER 30 2.405 -1.333 4.196 222 2HB SER 30 2HB SER 30 1.798 -2.987 3.968 223 HG SER 30 HG SER 30 -0.105 -2.144 3.156 224 H GLY 31 H GLY 31 -1.158 -0.482 5.181 225 1HA GLY 31 1HA GLY 31 -1.906 1.524 6.191 226 2HA GLY 31 2HA GLY 31 -0.257 1.945 6.666 227 H CYS 32 H CYS 32 -0.511 0.615 3.463 228 HA CYS 32 HA CYS 32 -0.043 3.232 2.208 229 1HB CYS 32 1HB CYS 32 -0.231 0.478 0.944 230 2HB CYS 32 2HB CYS 32 0.425 1.930 0.215 231 H LYS 33 H LYS 33 -1.327 3.870 0.351 232 HA LYS 33 HA LYS 33 -4.168 2.952 0.369 233 1HB LYS 33 1HB LYS 33 -3.073 5.622 -0.589 234 2HB LYS 33 2HB LYS 33 -4.766 5.158 -0.400 235 1HG LYS 33 1HG LYS 33 -2.721 5.629 1.800 236 2HG LYS 33 2HG LYS 33 -4.055 6.676 1.344 237 1HD LYS 33 1HD LYS 33 -5.365 5.684 2.847 238 2HD LYS 33 2HD LYS 33 -5.332 4.229 1.869 239 1HE LYS 33 1HE LYS 33 -4.344 3.165 3.587 240 2HE LYS 33 2HE LYS 33 -2.899 4.140 3.341 241 1HZ LYS 33 1HZ LYS 33 -5.133 4.870 5.077 242 2HZ LYS 33 2HZ LYS 33 -3.673 4.273 5.555 243 3HZ LYS 33 3HZ LYS 33 -3.757 5.753 4.847 244 H ILE 34 H ILE 34 -4.964 2.168 -1.496 245 HA ILE 34 HA ILE 34 -3.412 2.413 -4.037 246 HB ILE 34 HB ILE 34 -5.622 0.443 -3.330 247 1HG1 ILE 34 1HG1 ILE 34 -3.832 -0.077 -1.864 248 2HG1 ILE 34 2HG1 ILE 34 -3.951 -1.295 -3.121 249 1HG2 ILE 34 1HG2 ILE 34 -3.666 0.588 -5.663 250 2HG2 ILE 34 2HG2 ILE 34 -4.771 -0.766 -5.333 251 3HG2 ILE 34 3HG2 ILE 34 -5.421 0.835 -5.714 252 1HD1 ILE 34 1HD1 ILE 34 -1.869 0.927 -2.968 253 2HD1 ILE 34 2HD1 ILE 34 -1.604 -0.790 -2.669 254 3HD1 ILE 34 3HD1 ILE 34 -2.003 -0.245 -4.303 255 H ILE 35 H ILE 35 -4.248 4.115 -5.196 256 HA ILE 35 HA ILE 35 -7.180 4.339 -5.444 257 HB ILE 35 HB ILE 35 -7.045 6.809 -5.185 258 1HG1 ILE 35 1HG1 ILE 35 -4.297 6.210 -3.980 259 2HG1 ILE 35 2HG1 ILE 35 -4.640 7.186 -5.417 260 1HG2 ILE 35 1HG2 ILE 35 -6.302 5.363 -2.616 261 2HG2 ILE 35 2HG2 ILE 35 -7.342 6.789 -2.808 262 3HG2 ILE 35 3HG2 ILE 35 -7.895 5.231 -3.404 263 1HD1 ILE 35 1HD1 ILE 35 -5.919 8.786 -3.975 264 2HD1 ILE 35 2HD1 ILE 35 -5.419 7.844 -2.540 265 3HD1 ILE 35 3HD1 ILE 35 -4.205 8.616 -3.535 266 H SER 36 H SER 36 -7.854 4.871 -7.395 267 HA SER 36 HA SER 36 -5.843 4.680 -9.512 268 1HB SER 36 1HB SER 36 -7.928 3.236 -9.296 269 2HB SER 36 2HB SER 36 -8.871 4.665 -9.763 270 HG SER 36 HG SER 36 -6.784 3.423 -11.247 271 H ALA 37 H ALA 37 -6.771 7.325 -7.919 272 HA ALA 37 HA ALA 37 -7.628 9.101 -10.043 273 1HB ALA 37 1HB ALA 37 -8.197 9.449 -7.669 274 2HB ALA 37 2HB ALA 37 -6.474 9.651 -7.281 275 3HB ALA 37 3HB ALA 37 -7.297 10.831 -8.325 276 H SER 38 H SER 38 -4.676 7.581 -9.532 277 HA SER 38 HA SER 38 -2.522 7.946 -9.921 278 1HB SER 38 1HB SER 38 -3.399 8.068 -12.224 279 2HB SER 38 2HB SER 38 -3.552 9.827 -12.075 280 HG SER 38 HG SER 38 -1.295 9.889 -11.710 281 H THR 39 H THR 39 -3.764 9.542 -7.865 282 HA THR 39 HA THR 39 -1.802 11.702 -7.496 283 HB THR 39 HB THR 39 -4.830 12.096 -7.310 284 HG1 THR 39 1HG THR 39 -4.283 12.068 -9.450 285 1HG2 THR 39 1HG2 THR 39 -4.211 14.499 -7.056 286 2HG2 THR 39 2HG2 THR 39 -3.615 13.509 -5.715 287 3HG2 THR 39 3HG2 THR 39 -2.499 14.039 -6.996 288 H CYS 40 H CYS 40 -1.484 12.038 -5.212 289 HA CYS 40 HA CYS 40 -3.066 10.432 -3.324 290 1HB CYS 40 1HB CYS 40 -0.072 10.163 -3.789 291 2HB CYS 40 2HB CYS 40 -0.880 9.589 -2.329 292 HA PRO 41 HA PRO 41 -2.506 14.153 -1.071 293 1HB PRO 41 1HB PRO 41 -3.235 13.450 1.458 294 2HB PRO 41 2HB PRO 41 -4.382 13.403 0.091 295 1HG PRO 41 1HG PRO 41 -2.748 11.086 1.183 296 2HG PRO 41 2HG PRO 41 -4.521 11.146 0.937 297 1HD PRO 41 1HD PRO 41 -2.891 10.063 -0.944 298 2HD PRO 41 2HD PRO 41 -4.276 11.080 -1.425 299 H SER 42 H SER 42 -1.371 15.138 0.784 300 HA SER 42 HA SER 42 1.390 14.332 0.972 301 1HB SER 42 1HB SER 42 -0.203 16.531 2.347 302 2HB SER 42 2HB SER 42 1.568 16.374 2.362 303 HG SER 42 HG SER 42 0.816 17.779 0.712 304 H ASP 43 H ASP 43 0.540 12.178 1.830 305 HA ASP 43 HA ASP 43 1.008 12.029 4.756 306 1HB ASP 43 1HB ASP 43 -1.357 10.795 3.270 307 2HB ASP 43 2HB ASP 43 -0.785 10.243 4.850 308 HD2 ASP 43 HD ASP 43 -2.836 13.701 4.571 309 H TYR 44 H TYR 44 0.754 10.451 1.553 310 HA TYR 44 HA TYR 44 2.627 8.304 2.448 311 1HB TYR 44 1HB TYR 44 0.319 8.108 0.494 312 2HB TYR 44 2HB TYR 44 1.348 6.806 1.087 313 HD1 TYR 44 1HD TYR 44 1.429 6.640 3.769 314 HD2 TYR 44 2HD TYR 44 -1.768 8.446 1.538 315 HE1 TYR 44 1HE TYR 44 -0.055 6.356 5.714 316 HE2 TYR 44 2HE TYR 44 -3.270 8.172 3.485 317 HH TYR 44 HH TYR 44 -2.160 6.782 6.588 318 HA PRO 45 HA PRO 45 4.305 10.586 -1.239 319 1HB PRO 45 1HB PRO 45 6.710 11.409 -0.324 320 2HB PRO 45 2HB PRO 45 5.197 12.210 0.188 321 1HG PRO 45 1HG PRO 45 6.695 10.014 1.664 322 2HG PRO 45 2HG PRO 45 6.195 11.607 2.306 323 1HD PRO 45 1HD PRO 45 4.663 9.384 2.667 324 2HD PRO 45 2HD PRO 45 3.921 10.982 2.338 325 H LYS 46 H LYS 46 5.286 7.746 0.526 326 HA LYS 46 HA LYS 46 7.607 7.257 -1.205 327 1HB LYS 46 1HB LYS 46 7.561 7.188 1.407 328 2HB LYS 46 2HB LYS 46 6.743 5.638 1.203 329 1HG LYS 46 1HG LYS 46 9.127 5.332 1.557 330 2HG LYS 46 2HG LYS 46 8.716 4.774 -0.057 331 1HD LYS 46 1HD LYS 46 9.505 7.654 0.112 332 2HD LYS 46 2HD LYS 46 10.760 6.553 0.658 333 1HE LYS 46 1HE LYS 46 9.363 6.225 -2.040 334 2HE LYS 46 2HE LYS 46 10.827 7.180 -1.793 335 1HZ LYS 46 1HZ LYS 46 10.531 4.317 -1.198 336 2HZ LYS 46 2HZ LYS 46 11.305 4.958 -2.504 337 3HZ LYS 46 3HZ LYS 46 11.906 5.204 -0.990 Start of MODEL 7 1 1H LYS 1 1H LYS 1 -2.760 4.194 -9.714 2 2H LYS 1 2H LYS 1 -3.265 2.994 -8.700 3 3H LYS 1 3H LYS 1 -3.362 4.559 -8.215 4 HA LYS 1 HA LYS 1 -0.969 2.984 -8.676 5 1HB LYS 1 1HB LYS 1 0.379 4.907 -8.076 6 2HB LYS 1 2HB LYS 1 -0.591 5.217 -9.519 7 1HG LYS 1 1HG LYS 1 -2.254 6.419 -8.072 8 2HG LYS 1 2HG LYS 1 -1.159 6.287 -6.700 9 1HD LYS 1 1HD LYS 1 -0.211 7.505 -9.328 10 2HD LYS 1 2HD LYS 1 -1.249 8.428 -8.248 11 1HE LYS 1 1HE LYS 1 1.129 8.962 -7.955 12 2HE LYS 1 2HE LYS 1 0.329 8.439 -6.477 13 1HZ LYS 1 1HZ LYS 1 2.043 6.749 -8.161 14 2HZ LYS 1 2HZ LYS 1 2.503 7.482 -6.762 15 3HZ LYS 1 3HZ LYS 1 1.355 6.306 -6.726 16 H SER 2 H SER 2 0.316 2.645 -6.820 17 HA SER 2 HA SER 2 -1.176 2.525 -4.260 18 1HB SER 2 1HB SER 2 -0.166 0.431 -5.058 19 2HB SER 2 2HB SER 2 1.421 1.214 -5.142 20 HG SER 2 HG SER 2 1.030 0.015 -3.182 21 H CYS 3 H CYS 3 -0.342 3.522 -2.410 22 HA CYS 3 HA CYS 3 2.039 5.303 -2.602 23 1HB CYS 3 1HB CYS 3 -0.817 6.173 -2.021 24 2HB CYS 3 2HB CYS 3 0.613 7.159 -1.679 25 H CYS 4 H CYS 4 3.218 4.678 -0.882 26 HA CYS 4 HA CYS 4 1.862 3.672 1.564 27 1HB CYS 4 1HB CYS 4 4.571 3.113 0.319 28 2HB CYS 4 2HB CYS 4 4.138 2.556 1.911 29 HA PRO 5 HA PRO 5 3.606 6.926 3.997 30 1HB PRO 5 1HB PRO 5 4.362 5.669 6.317 31 2HB PRO 5 2HB PRO 5 2.675 5.998 5.859 32 1HG PRO 5 1HG PRO 5 4.202 3.418 5.444 33 2HG PRO 5 2HG PRO 5 2.579 3.633 6.168 34 1HD PRO 5 1HD PRO 5 2.787 2.944 3.592 35 2HD PRO 5 2HD PRO 5 1.620 4.187 4.059 36 H ASN 6 H ASN 6 5.622 3.956 3.650 37 HA ASN 6 HA ASN 6 8.014 5.465 3.058 38 1HB ASN 6 1HB ASN 6 9.258 4.790 5.137 39 2HB ASN 6 2HB ASN 6 7.986 5.956 5.436 40 1HD2 ASN 6 2HD2 ASN 6 6.533 5.488 7.038 41 2HD2 ASN 6 1HD2 ASN 6 6.270 3.898 7.724 42 H THR 7 H THR 7 9.970 3.862 3.455 43 HA THR 7 HA THR 7 9.793 1.802 1.585 44 HB THR 7 HB THR 7 11.824 2.174 3.826 45 HG1 THR 7 1HG THR 7 11.654 4.033 2.609 46 1HG2 THR 7 1HG2 THR 7 12.051 0.789 1.116 47 2HG2 THR 7 2HG2 THR 7 13.396 1.111 2.227 48 3HG2 THR 7 3HG2 THR 7 12.113 -0.007 2.705 49 H THR 8 H THR 8 9.341 1.680 5.148 50 HA THR 8 HA THR 8 9.425 -1.212 5.253 51 HB THR 8 HB THR 8 8.226 0.643 7.333 52 HG1 THR 8 1HG THR 8 10.370 1.242 6.823 53 1HG2 THR 8 1HG2 THR 8 9.480 -2.131 7.495 54 2HG2 THR 8 2HG2 THR 8 8.881 -1.172 8.863 55 3HG2 THR 8 3HG2 THR 8 7.746 -1.769 7.641 56 H GLY 9 H GLY 9 6.899 1.315 5.000 57 1HA GLY 9 1HA GLY 9 4.568 -0.282 5.057 58 2HA GLY 9 2HA GLY 9 4.785 1.215 4.136 59 H ARG 10 H ARG 10 6.670 0.659 2.272 60 HA ARG 10 HA ARG 10 5.391 -0.936 0.312 61 1HB ARG 10 1HB ARG 10 8.256 0.039 0.586 62 2HB ARG 10 2HB ARG 10 7.708 -0.882 -0.815 63 1HG ARG 10 1HG ARG 10 6.363 1.688 0.079 64 2HG ARG 10 2HG ARG 10 7.725 1.649 -1.048 65 1HD ARG 10 1HD ARG 10 6.522 0.362 -2.667 66 2HD ARG 10 2HD ARG 10 5.153 0.104 -1.573 67 HE ARG 10 HE ARG 10 5.484 2.888 -1.811 68 1HH1 ARG 10 1HH2 ARG 10 4.506 0.133 -3.832 69 2HH1 ARG 10 2HH2 ARG 10 3.496 1.112 -4.866 70 1HH2 ARG 10 1HH1 ARG 10 4.170 4.118 -3.122 71 2HH2 ARG 10 2HH1 ARG 10 3.233 3.408 -4.417 72 H ASN 11 H ASN 11 8.122 -1.789 2.522 73 HA ASN 11 HA ASN 11 8.585 -4.362 1.495 74 1HB ASN 11 1HB ASN 11 10.114 -3.342 3.053 75 2HB ASN 11 2HB ASN 11 8.886 -3.269 4.316 76 1HD2 ASN 11 2HD2 ASN 11 8.433 -5.072 5.581 77 2HD2 ASN 11 1HD2 ASN 11 9.368 -6.545 5.475 78 H ILE 12 H ILE 12 6.278 -3.411 4.124 79 HA ILE 12 HA ILE 12 5.348 -6.057 4.628 80 HB ILE 12 HB ILE 12 4.057 -3.343 5.074 81 1HG1 ILE 12 1HG1 ILE 12 5.358 -5.188 7.114 82 2HG1 ILE 12 2HG1 ILE 12 6.288 -3.967 6.257 83 1HG2 ILE 12 1HG2 ILE 12 3.282 -6.108 6.129 84 2HG2 ILE 12 2HG2 ILE 12 2.601 -4.587 6.729 85 3HG2 ILE 12 3HG2 ILE 12 2.294 -5.085 5.072 86 1HD1 ILE 12 1HD1 ILE 12 3.921 -3.393 8.077 87 2HD1 ILE 12 2HD1 ILE 12 5.631 -3.059 8.376 88 3HD1 ILE 12 3HD1 ILE 12 4.778 -2.184 7.094 89 H TYR 13 H TYR 13 4.082 -3.441 2.528 90 HA TYR 13 HA TYR 13 1.783 -4.713 1.567 91 1HB TYR 13 1HB TYR 13 2.169 -2.365 1.245 92 2HB TYR 13 2HB TYR 13 3.668 -2.656 0.376 93 HD1 TYR 13 1HD TYR 13 3.611 -2.389 -1.953 94 HD2 TYR 13 2HD TYR 13 0.037 -3.609 0.113 95 HE1 TYR 13 1HE TYR 13 2.382 -2.401 -4.097 96 HE2 TYR 13 2HE TYR 13 -1.198 -3.629 -2.040 97 HH TYR 13 HH TYR 13 0.372 -2.833 -5.158 98 H ASN 14 H ASN 14 5.055 -4.642 0.101 99 HA ASN 14 HA ASN 14 4.464 -6.308 -2.122 100 1HB ASN 14 1HB ASN 14 7.024 -5.443 -0.742 101 2HB ASN 14 2HB ASN 14 7.046 -6.633 -2.035 102 1HD2 ASN 14 2HD2 ASN 14 6.195 -3.247 -1.314 103 2HD2 ASN 14 1HD2 ASN 14 6.246 -2.721 -2.986 104 H THR 15 H THR 15 5.867 -7.089 1.116 105 HA THR 15 HA THR 15 6.337 -9.831 0.612 106 HB THR 15 HB THR 15 5.671 -8.383 3.210 107 HG1 THR 15 1HG THR 15 7.552 -7.692 2.167 108 1HG2 THR 15 1HG2 THR 15 6.869 -11.153 2.759 109 2HG2 THR 15 2HG2 THR 15 6.803 -10.299 4.313 110 3HG2 THR 15 3HG2 THR 15 5.304 -10.803 3.526 111 H CYS 16 H CYS 16 3.433 -8.177 1.917 112 HA CYS 16 HA CYS 16 1.848 -10.509 2.271 113 1HB CYS 16 1HB CYS 16 1.343 -8.482 3.393 114 2HB CYS 16 2HB CYS 16 1.209 -7.572 1.893 115 H ARG 17 H ARG 17 2.211 -8.284 -0.529 116 HA ARG 17 HA ARG 17 0.242 -9.486 -2.180 117 1HB ARG 17 1HB ARG 17 2.763 -7.902 -2.752 118 2HB ARG 17 2HB ARG 17 1.735 -8.483 -4.052 119 1HG ARG 17 1HG ARG 17 0.358 -6.973 -1.838 120 2HG ARG 17 2HG ARG 17 1.443 -6.059 -2.890 121 1HD ARG 17 1HD ARG 17 -0.794 -5.966 -3.791 122 2HD ARG 17 2HD ARG 17 0.288 -6.838 -4.878 123 HE ARG 17 HE ARG 17 -1.361 -8.404 -2.946 124 1HH1 ARG 17 1HH2 ARG 17 -0.997 -7.366 -6.339 125 2HH1 ARG 17 2HH2 ARG 17 -1.945 -8.695 -6.952 126 1HH2 ARG 17 1HH1 ARG 17 -2.529 -10.137 -3.784 127 2HH2 ARG 17 2HH1 ARG 17 -2.822 -10.278 -5.501 128 H PHE 18 H PHE 18 3.749 -10.210 -1.830 129 HA PHE 18 HA PHE 18 3.775 -12.328 -3.765 130 1HB PHE 18 1HB PHE 18 5.590 -11.489 -1.494 131 2HB PHE 18 2HB PHE 18 5.815 -13.049 -2.269 132 HD1 PHE 18 1HD PHE 18 6.757 -9.624 -2.489 133 HD2 PHE 18 2HD PHE 18 5.991 -13.157 -4.842 134 HE1 PHE 18 1HE PHE 18 8.037 -8.652 -4.367 135 HE2 PHE 18 2HE PHE 18 7.325 -12.200 -6.700 136 HZ PHE 18 HZ PHE 18 8.357 -9.951 -6.464 137 H ALA 19 H ALA 19 3.147 -12.274 -0.228 138 HA ALA 19 HA ALA 19 3.017 -15.062 0.173 139 1HB ALA 19 1HB ALA 19 3.085 -13.394 1.992 140 2HB ALA 19 2HB ALA 19 1.432 -12.886 1.594 141 3HB ALA 19 3HB ALA 19 1.736 -14.530 2.177 142 H GLY 20 H GLY 20 0.473 -12.727 -0.841 143 1HA GLY 20 1HA GLY 20 -0.713 -14.065 -2.794 144 2HA GLY 20 2HA GLY 20 -1.432 -14.923 -1.421 145 H GLY 21 H GLY 21 -1.309 -12.277 0.179 146 1HA GLY 21 1HA GLY 21 -4.046 -11.850 0.040 147 2HA GLY 21 2HA GLY 21 -2.891 -10.764 0.823 148 H SER 22 H SER 22 -5.381 -10.178 -0.699 149 HA SER 22 HA SER 22 -4.880 -9.182 -3.281 150 1HB SER 22 1HB SER 22 -6.953 -8.179 -1.295 151 2HB SER 22 2HB SER 22 -7.045 -8.140 -3.065 152 HG SER 22 HG SER 22 -6.971 -10.458 -2.989 153 H ARG 23 H ARG 23 -4.933 -6.936 -4.007 154 HA ARG 23 HA ARG 23 -2.829 -5.405 -3.011 155 1HB ARG 23 1HB ARG 23 -5.228 -4.560 -4.688 156 2HB ARG 23 2HB ARG 23 -3.780 -3.573 -4.431 157 1HG ARG 23 1HG ARG 23 -2.361 -5.236 -5.484 158 2HG ARG 23 2HG ARG 23 -3.714 -6.367 -5.675 159 1HD ARG 23 1HD ARG 23 -3.571 -3.599 -6.926 160 2HD ARG 23 2HD ARG 23 -3.119 -5.108 -7.750 161 HE ARG 23 HE ARG 23 -5.715 -5.489 -6.754 162 1HH1 ARG 23 1HH2 ARG 23 -4.103 -3.383 -9.113 163 2HH1 ARG 23 2HH2 ARG 23 -5.508 -3.242 -10.138 164 1HH2 ARG 23 1HH1 ARG 23 -7.549 -5.308 -8.119 165 2HH2 ARG 23 2HH1 ARG 23 -7.472 -4.342 -9.570 166 H GLU 24 H GLU 24 -6.341 -4.664 -2.650 167 HA GLU 24 HA GLU 24 -6.022 -2.424 -1.014 168 1HB GLU 24 1HB GLU 24 -8.070 -3.396 -2.289 169 2HB GLU 24 2HB GLU 24 -8.393 -4.315 -0.817 170 1HG GLU 24 1HG GLU 24 -8.158 -1.279 -1.094 171 2HG GLU 24 2HG GLU 24 -9.652 -2.206 -0.951 172 HE2 GLU 24 HE GLU 24 -7.744 -1.069 2.334 173 H ARG 25 H ARG 25 -6.465 -5.861 -0.123 174 HA ARG 25 HA ARG 25 -6.685 -5.566 2.658 175 1HB ARG 25 1HB ARG 25 -7.106 -7.562 1.106 176 2HB ARG 25 2HB ARG 25 -5.394 -7.942 1.236 177 1HG ARG 25 1HG ARG 25 -7.394 -7.756 3.543 178 2HG ARG 25 2HG ARG 25 -6.892 -9.234 2.715 179 1HD ARG 25 1HD ARG 25 -4.510 -8.752 3.442 180 2HD ARG 25 2HD ARG 25 -5.173 -7.469 4.485 181 HE ARG 25 HE ARG 25 -6.655 -9.810 4.955 182 1HH1 ARG 25 1HH2 ARG 25 -3.346 -8.638 5.491 183 2HH1 ARG 25 2HH2 ARG 25 -3.082 -9.653 6.887 184 1HH2 ARG 25 1HH1 ARG 25 -6.305 -11.112 6.789 185 2HH2 ARG 25 2HH1 ARG 25 -4.780 -11.064 7.635 186 H CYS 26 H CYS 26 -3.779 -6.355 0.699 187 HA CYS 26 HA CYS 26 -1.889 -6.290 2.820 188 1HB CYS 26 1HB CYS 26 -1.605 -5.807 -0.177 189 2HB CYS 26 2HB CYS 26 -0.252 -6.002 0.935 190 H ALA 27 H ALA 27 -3.074 -3.737 0.617 191 HA ALA 27 HA ALA 27 -1.284 -1.689 1.409 192 1HB ALA 27 1HB ALA 27 -4.150 -1.470 0.413 193 2HB ALA 27 2HB ALA 27 -2.943 -0.174 0.439 194 3HB ALA 27 3HB ALA 27 -2.687 -1.592 -0.588 195 H LYS 28 H LYS 28 -4.469 -2.751 2.733 196 HA LYS 28 HA LYS 28 -4.706 -0.782 4.726 197 1HB LYS 28 1HB LYS 28 -6.261 -2.751 3.771 198 2HB LYS 28 2HB LYS 28 -5.688 -3.596 5.202 199 1HG LYS 28 1HG LYS 28 -7.047 -0.855 5.148 200 2HG LYS 28 2HG LYS 28 -7.835 -2.407 5.465 201 1HD LYS 28 1HD LYS 28 -6.288 -2.738 7.431 202 2HD LYS 28 2HD LYS 28 -5.667 -1.094 7.166 203 1HE LYS 28 1HE LYS 28 -7.915 -0.157 7.508 204 2HE LYS 28 2HE LYS 28 -8.575 -1.787 7.743 205 1HZ LYS 28 1HZ LYS 28 -6.528 -0.530 9.432 206 2HZ LYS 28 2HZ LYS 28 -8.126 -0.689 9.812 207 3HZ LYS 28 3HZ LYS 28 -7.181 -2.028 9.649 208 H LEU 29 H LEU 29 -3.326 -4.099 4.850 209 HA LEU 29 HA LEU 29 -2.612 -4.232 7.525 210 1HB LEU 29 1HB LEU 29 -2.552 -6.095 5.827 211 2HB LEU 29 2HB LEU 29 -1.090 -5.377 5.145 212 HG LEU 29 HG LEU 29 0.072 -5.719 7.356 213 1HD1 LEU 29 1HD1 LEU 29 -2.482 -7.270 7.991 214 2HD1 LEU 29 2HD1 LEU 29 -0.967 -7.395 8.906 215 3HD1 LEU 29 3HD1 LEU 29 -1.855 -5.867 8.882 216 1HD2 LEU 29 1HD2 LEU 29 0.335 -7.289 5.475 217 2HD2 LEU 29 2HD2 LEU 29 0.376 -8.136 7.030 218 3HD2 LEU 29 3HD2 LEU 29 -1.087 -8.199 6.027 219 H SER 30 H SER 30 -0.746 -2.928 4.794 220 HA SER 30 HA SER 30 1.627 -2.302 6.375 221 1HB SER 30 1HB SER 30 2.328 -1.204 4.230 222 2HB SER 30 2HB SER 30 1.911 -2.924 4.074 223 HG SER 30 HG SER 30 -0.038 -2.372 3.197 224 H GLY 31 H GLY 31 -1.192 -0.559 5.139 225 1HA GLY 31 1HA GLY 31 -2.101 1.382 6.114 226 2HA GLY 31 2HA GLY 31 -0.509 1.891 6.694 227 H CYS 32 H CYS 32 -0.755 0.584 3.439 228 HA CYS 32 HA CYS 32 -0.212 3.205 2.217 229 1HB CYS 32 1HB CYS 32 -0.533 0.488 0.900 230 2HB CYS 32 2HB CYS 32 0.208 1.920 0.204 231 H LYS 33 H LYS 33 -1.477 3.841 0.305 232 HA LYS 33 HA LYS 33 -4.367 3.089 0.390 233 1HB LYS 33 1HB LYS 33 -3.102 5.451 -1.022 234 2HB LYS 33 2HB LYS 33 -4.811 5.180 -0.689 235 1HG LYS 33 1HG LYS 33 -2.656 5.824 1.378 236 2HG LYS 33 2HG LYS 33 -3.769 6.959 0.627 237 1HD LYS 33 1HD LYS 33 -4.770 6.623 2.639 238 2HD LYS 33 2HD LYS 33 -5.698 5.544 1.599 239 1HE LYS 33 1HE LYS 33 -4.737 3.616 2.589 240 2HE LYS 33 2HE LYS 33 -3.298 4.501 3.158 241 1HZ LYS 33 1HZ LYS 33 -4.647 5.596 4.744 242 2HZ LYS 33 2HZ LYS 33 -6.001 4.792 4.236 243 3HZ LYS 33 3HZ LYS 33 -4.751 3.963 4.926 244 H ILE 34 H ILE 34 -5.338 2.491 -1.542 245 HA ILE 34 HA ILE 34 -3.682 2.234 -4.018 246 HB ILE 34 HB ILE 34 -5.952 0.446 -3.040 247 1HG1 ILE 34 1HG1 ILE 34 -3.765 0.093 -1.845 248 2HG1 ILE 34 2HG1 ILE 34 -4.459 -1.293 -2.666 249 1HG2 ILE 34 1HG2 ILE 34 -4.302 0.404 -5.600 250 2HG2 ILE 34 2HG2 ILE 34 -5.310 -0.952 -5.043 251 3HG2 ILE 34 3HG2 ILE 34 -6.057 0.600 -5.442 252 1HD1 ILE 34 1HD1 ILE 34 -2.845 -1.110 -4.489 253 2HD1 ILE 34 2HD1 ILE 34 -2.235 0.427 -3.828 254 3HD1 ILE 34 3HD1 ILE 34 -1.981 -1.086 -2.945 255 H ILE 35 H ILE 35 -4.330 4.126 -5.026 256 HA ILE 35 HA ILE 35 -7.218 4.410 -5.599 257 HB ILE 35 HB ILE 35 -7.145 6.813 -5.222 258 1HG1 ILE 35 1HG1 ILE 35 -4.383 6.323 -4.006 259 2HG1 ILE 35 2HG1 ILE 35 -4.769 7.316 -5.422 260 1HG2 ILE 35 1HG2 ILE 35 -7.943 5.175 -3.470 261 2HG2 ILE 35 2HG2 ILE 35 -6.368 5.369 -2.663 262 3HG2 ILE 35 3HG2 ILE 35 -7.468 6.750 -2.845 263 1HD1 ILE 35 1HD1 ILE 35 -6.137 8.815 -3.975 264 2HD1 ILE 35 2HD1 ILE 35 -5.586 7.889 -2.548 265 3HD1 ILE 35 3HD1 ILE 35 -4.418 8.748 -3.542 266 H SER 36 H SER 36 -7.635 4.954 -7.640 267 HA SER 36 HA SER 36 -5.309 5.228 -9.486 268 1HB SER 36 1HB SER 36 -6.846 3.287 -9.741 269 2HB SER 36 2HB SER 36 -8.176 4.415 -10.080 270 HG SER 36 HG SER 36 -6.912 5.189 -11.836 271 H ALA 37 H ALA 37 -6.135 7.516 -7.956 272 HA ALA 37 HA ALA 37 -7.610 9.281 -9.788 273 1HB ALA 37 1HB ALA 37 -6.180 9.834 -7.163 274 2HB ALA 37 2HB ALA 37 -7.285 10.933 -8.018 275 3HB ALA 37 3HB ALA 37 -7.898 9.415 -7.334 276 H SER 38 H SER 38 -4.487 8.074 -9.820 277 HA SER 38 HA SER 38 -2.459 8.712 -10.486 278 1HB SER 38 1HB SER 38 -3.694 9.167 -12.576 279 2HB SER 38 2HB SER 38 -3.926 10.847 -12.065 280 HG SER 38 HG SER 38 -1.613 10.985 -11.974 281 H THR 39 H THR 39 -3.630 9.897 -8.028 282 HA THR 39 HA THR 39 -1.650 11.960 -7.434 283 HB THR 39 HB THR 39 -4.667 12.454 -7.314 284 HG1 THR 39 1HG THR 39 -4.181 14.112 -8.765 285 1HG2 THR 39 1HG2 THR 39 -4.036 14.739 -6.528 286 2HG2 THR 39 2HG2 THR 39 -3.621 13.488 -5.352 287 3HG2 THR 39 3HG2 THR 39 -2.351 14.202 -6.377 288 H CYS 40 H CYS 40 -1.348 12.062 -5.151 289 HA CYS 40 HA CYS 40 -3.099 10.468 -3.409 290 1HB CYS 40 1HB CYS 40 -0.104 10.076 -3.740 291 2HB CYS 40 2HB CYS 40 -0.961 9.587 -2.277 292 HA PRO 41 HA PRO 41 -2.615 14.125 -1.048 293 1HB PRO 41 1HB PRO 41 -3.363 13.356 1.464 294 2HB PRO 41 2HB PRO 41 -4.496 13.374 0.084 295 1HG PRO 41 1HG PRO 41 -2.924 11.002 1.134 296 2HG PRO 41 2HG PRO 41 -4.685 11.093 0.834 297 1HD PRO 41 1HD PRO 41 -3.010 10.042 -1.023 298 2HD PRO 41 2HD PRO 41 -4.372 11.081 -1.521 299 H SER 42 H SER 42 -1.425 15.129 0.740 300 HA SER 42 HA SER 42 1.326 14.283 0.805 301 1HB SER 42 1HB SER 42 -0.084 16.572 2.237 302 2HB SER 42 2HB SER 42 1.669 16.381 2.008 303 HG SER 42 HG SER 42 1.225 16.378 -0.275 304 H ASP 43 H ASP 43 0.579 12.195 1.793 305 HA ASP 43 HA ASP 43 1.085 12.143 4.715 306 1HB ASP 43 1HB ASP 43 -1.307 10.890 3.291 307 2HB ASP 43 2HB ASP 43 -0.761 10.418 4.904 308 HD2 ASP 43 HD ASP 43 -2.746 13.893 4.388 309 H TYR 44 H TYR 44 0.782 10.469 1.571 310 HA TYR 44 HA TYR 44 2.561 8.272 2.515 311 1HB TYR 44 1HB TYR 44 0.416 8.221 0.390 312 2HB TYR 44 2HB TYR 44 1.370 6.873 0.995 313 HD1 TYR 44 1HD TYR 44 -1.632 8.817 1.421 314 HD2 TYR 44 2HD TYR 44 1.188 6.398 3.582 315 HE1 TYR 44 1HE TYR 44 -3.311 8.439 3.198 316 HE2 TYR 44 2HE TYR 44 -0.495 5.974 5.339 317 HH TYR 44 HH TYR 44 -2.676 6.316 6.013 318 HA PRO 45 HA PRO 45 4.693 10.749 -0.786 319 1HB PRO 45 1HB PRO 45 7.225 10.778 0.218 320 2HB PRO 45 2HB PRO 45 5.926 11.821 0.863 321 1HG PRO 45 1HG PRO 45 6.802 9.118 1.933 322 2HG PRO 45 2HG PRO 45 6.653 10.650 2.845 323 1HD PRO 45 1HD PRO 45 4.653 8.846 2.838 324 2HD PRO 45 2HD PRO 45 4.277 10.589 2.711 325 H LYS 46 H LYS 46 5.216 7.460 0.376 326 HA LYS 46 HA LYS 46 7.180 6.878 -1.755 327 1HB LYS 46 1HB LYS 46 7.578 6.353 0.703 328 2HB LYS 46 2HB LYS 46 6.254 5.198 0.598 329 1HG LYS 46 1HG LYS 46 7.987 3.795 0.174 330 2HG LYS 46 2HG LYS 46 7.674 4.278 -1.493 331 1HD LYS 46 1HD LYS 46 9.790 5.369 0.418 332 2HD LYS 46 2HD LYS 46 10.037 4.300 -0.976 333 1HE LYS 46 1HE LYS 46 9.251 6.162 -2.480 334 2HE LYS 46 2HE LYS 46 9.225 7.228 -1.048 335 1HZ LYS 46 1HZ LYS 46 11.541 6.799 -0.762 336 2HZ LYS 46 2HZ LYS 46 11.573 5.845 -2.108 337 3HZ LYS 46 3HZ LYS 46 11.233 7.451 -2.243 Start of MODEL 8 1 1H LYS 1 1H LYS 1 -2.769 7.074 -7.656 2 2H LYS 1 2H LYS 1 -3.029 5.760 -6.714 3 3H LYS 1 3H LYS 1 -1.923 6.901 -6.262 4 HA LYS 1 HA LYS 1 -1.793 5.069 -8.522 5 1HB LYS 1 1HB LYS 1 0.333 6.088 -9.165 6 2HB LYS 1 2HB LYS 1 -1.006 7.234 -9.223 7 1HG LYS 1 1HG LYS 1 -0.297 8.289 -7.142 8 2HG LYS 1 2HG LYS 1 0.938 7.044 -6.884 9 1HD LYS 1 1HD LYS 1 1.992 9.049 -7.679 10 2HD LYS 1 2HD LYS 1 2.138 7.783 -8.911 11 1HE LYS 1 1HE LYS 1 0.272 8.823 -10.194 12 2HE LYS 1 2HE LYS 1 0.075 10.036 -8.910 13 1HZ LYS 1 1HZ LYS 1 2.285 10.797 -9.403 14 2HZ LYS 1 2HZ LYS 1 2.441 9.677 -10.603 15 3HZ LYS 1 3HZ LYS 1 1.317 10.874 -10.734 16 H SER 2 H SER 2 -1.996 4.523 -5.593 17 HA SER 2 HA SER 2 -1.245 3.033 -4.140 18 1HB SER 2 1HB SER 2 0.786 2.099 -6.186 19 2HB SER 2 2HB SER 2 0.193 1.231 -4.765 20 HG SER 2 HG SER 2 -1.385 2.081 -6.969 21 H CYS 3 H CYS 3 -0.394 4.057 -2.400 22 HA CYS 3 HA CYS 3 2.403 5.111 -2.497 23 1HB CYS 3 1HB CYS 3 -0.101 6.691 -1.888 24 2HB CYS 3 2HB CYS 3 1.540 7.214 -1.512 25 H CYS 4 H CYS 4 3.466 5.089 -0.598 26 HA CYS 4 HA CYS 4 2.093 3.837 1.733 27 1HB CYS 4 1HB CYS 4 4.830 3.412 0.504 28 2HB CYS 4 2HB CYS 4 4.420 2.824 2.104 29 HA PRO 5 HA PRO 5 3.840 7.154 4.140 30 1HB PRO 5 1HB PRO 5 4.012 6.059 6.627 31 2HB PRO 5 2HB PRO 5 2.457 6.413 5.837 32 1HG PRO 5 1HG PRO 5 3.898 3.748 5.949 33 2HG PRO 5 2HG PRO 5 2.182 4.087 6.313 34 1HD PRO 5 1HD PRO 5 2.972 3.152 3.879 35 2HD PRO 5 2HD PRO 5 1.649 4.316 4.038 36 H ASN 6 H ASN 6 5.445 3.947 4.189 37 HA ASN 6 HA ASN 6 8.101 5.210 4.386 38 1HB ASN 6 1HB ASN 6 7.017 3.220 6.426 39 2HB ASN 6 2HB ASN 6 8.711 3.709 6.290 40 1HD2 ASN 6 2HD2 ASN 6 5.716 4.468 7.759 41 2HD2 ASN 6 1HD2 ASN 6 6.152 6.046 8.376 42 H THR 7 H THR 7 9.838 3.649 4.172 43 HA THR 7 HA THR 7 9.534 1.800 2.054 44 HB THR 7 HB THR 7 11.744 1.899 4.145 45 HG1 THR 7 1HG THR 7 12.654 3.452 2.753 46 1HG2 THR 7 1HG2 THR 7 11.731 1.128 1.186 47 2HG2 THR 7 2HG2 THR 7 13.164 1.198 2.231 48 3HG2 THR 7 3HG2 THR 7 11.899 0.001 2.549 49 H THR 8 H THR 8 9.336 1.481 5.604 50 HA THR 8 HA THR 8 9.271 -1.373 5.728 51 HB THR 8 HB THR 8 7.939 0.652 7.575 52 HG1 THR 8 1HG THR 8 10.178 1.012 7.327 53 1HG2 THR 8 1HG2 THR 8 8.265 -1.155 9.264 54 2HG2 THR 8 2HG2 THR 8 7.179 -1.677 7.966 55 3HG2 THR 8 3HG2 THR 8 8.867 -2.235 7.990 56 H GLY 9 H GLY 9 6.790 1.143 5.110 57 1HA GLY 9 1HA GLY 9 4.479 -0.518 5.063 58 2HA GLY 9 2HA GLY 9 4.703 1.010 4.197 59 H ARG 10 H ARG 10 6.735 0.557 2.448 60 HA ARG 10 HA ARG 10 5.572 -0.963 0.360 61 1HB ARG 10 1HB ARG 10 8.429 -0.016 0.807 62 2HB ARG 10 2HB ARG 10 7.912 -0.820 -0.674 63 1HG ARG 10 1HG ARG 10 6.593 1.713 0.375 64 2HG ARG 10 2HG ARG 10 7.964 1.707 -0.742 65 1HD ARG 10 1HD ARG 10 6.694 0.441 -2.408 66 2HD ARG 10 2HD ARG 10 5.296 0.352 -1.327 67 HE ARG 10 HE ARG 10 6.195 3.074 -1.764 68 1HH1 ARG 10 1HH2 ARG 10 4.163 0.505 -3.160 69 2HH1 ARG 10 2HH2 ARG 10 3.200 1.634 -4.083 70 1HH2 ARG 10 1HH1 ARG 10 4.944 4.487 -2.927 71 2HH2 ARG 10 2HH1 ARG 10 3.636 3.922 -3.952 72 H ASN 11 H ASN 11 8.112 -1.892 2.711 73 HA ASN 11 HA ASN 11 8.705 -4.432 1.633 74 1HB ASN 11 1HB ASN 11 10.140 -3.484 3.279 75 2HB ASN 11 2HB ASN 11 8.830 -3.288 4.440 76 1HD2 ASN 11 2HD2 ASN 11 8.448 -4.876 5.916 77 2HD2 ASN 11 1HD2 ASN 11 9.223 -6.442 5.894 78 H ILE 12 H ILE 12 6.304 -3.584 4.226 79 HA ILE 12 HA ILE 12 5.372 -6.252 4.555 80 HB ILE 12 HB ILE 12 4.049 -3.580 5.134 81 1HG1 ILE 12 1HG1 ILE 12 5.356 -5.557 7.056 82 2HG1 ILE 12 2HG1 ILE 12 6.252 -4.233 6.325 83 1HG2 ILE 12 1HG2 ILE 12 3.265 -6.410 5.993 84 2HG2 ILE 12 2HG2 ILE 12 2.559 -4.932 6.669 85 3HG2 ILE 12 3HG2 ILE 12 2.301 -5.324 4.976 86 1HD1 ILE 12 1HD1 ILE 12 4.649 -2.590 7.282 87 2HD1 ILE 12 2HD1 ILE 12 3.851 -3.918 8.159 88 3HD1 ILE 12 3HD1 ILE 12 5.542 -3.528 8.496 89 H TYR 13 H TYR 13 4.183 -3.553 2.523 90 HA TYR 13 HA TYR 13 1.924 -4.782 1.429 91 1HB TYR 13 1HB TYR 13 2.426 -2.405 1.219 92 2HB TYR 13 2HB TYR 13 3.850 -2.750 0.244 93 HD1 TYR 13 1HD TYR 13 3.629 -2.538 -2.097 94 HD2 TYR 13 2HD TYR 13 0.157 -3.478 0.273 95 HE1 TYR 13 1HE TYR 13 2.204 -2.366 -4.117 96 HE2 TYR 13 2HE TYR 13 -1.262 -3.323 -1.749 97 HH TYR 13 HH TYR 13 -1.358 -2.765 -3.941 98 H ASN 14 H ASN 14 5.284 -4.716 0.130 99 HA ASN 14 HA ASN 14 4.776 -6.315 -2.158 100 1HB ASN 14 1HB ASN 14 7.262 -5.481 -0.651 101 2HB ASN 14 2HB ASN 14 7.363 -6.718 -1.895 102 1HD2 ASN 14 2HD2 ASN 14 6.153 -3.361 -1.409 103 2HD2 ASN 14 1HD2 ASN 14 6.419 -2.881 -3.076 104 H THR 15 H THR 15 5.881 -7.250 1.153 105 HA THR 15 HA THR 15 6.291 -9.996 0.564 106 HB THR 15 HB THR 15 5.460 -8.648 3.168 107 HG1 THR 15 1HG THR 15 7.697 -8.692 3.515 108 1HG2 THR 15 1HG2 THR 15 6.523 -10.634 4.237 109 2HG2 THR 15 2HG2 THR 15 5.089 -11.091 3.306 110 3HG2 THR 15 3HG2 THR 15 6.712 -11.386 2.639 111 H CYS 16 H CYS 16 3.386 -8.238 1.714 112 HA CYS 16 HA CYS 16 1.676 -10.513 1.883 113 1HB CYS 16 1HB CYS 16 1.313 -8.468 3.085 114 2HB CYS 16 2HB CYS 16 1.129 -7.545 1.599 115 H ARG 17 H ARG 17 2.390 -8.230 -0.777 116 HA ARG 17 HA ARG 17 0.452 -9.223 -2.626 117 1HB ARG 17 1HB ARG 17 3.116 -7.807 -2.980 118 2HB ARG 17 2HB ARG 17 2.075 -8.190 -4.338 119 1HG ARG 17 1HG ARG 17 0.705 -6.771 -2.093 120 2HG ARG 17 2HG ARG 17 2.000 -5.856 -2.855 121 1HD ARG 17 1HD ARG 17 -0.324 -5.490 -3.821 122 2HD ARG 17 2HD ARG 17 0.989 -5.812 -4.951 123 HE ARG 17 HE ARG 17 -0.096 -7.638 -5.697 124 1HH1 ARG 17 1HH2 ARG 17 -1.287 -7.027 -2.402 125 2HH1 ARG 17 2HH2 ARG 17 -2.445 -8.333 -2.470 126 1HH2 ARG 17 1HH1 ARG 17 -1.739 -9.245 -5.791 127 2HH2 ARG 17 2HH1 ARG 17 -2.691 -9.582 -4.363 128 H PHE 18 H PHE 18 3.855 -10.127 -1.981 129 HA PHE 18 HA PHE 18 4.042 -12.082 -4.046 130 1HB PHE 18 1HB PHE 18 5.974 -11.041 -2.946 131 2HB PHE 18 2HB PHE 18 5.560 -11.824 -1.424 132 HD1 PHE 18 1HD PHE 18 6.682 -12.428 -4.932 133 HD2 PHE 18 2HD PHE 18 6.131 -14.149 -1.016 134 HE1 PHE 18 1HE PHE 18 7.967 -14.431 -5.629 135 HE2 PHE 18 2HE PHE 18 7.405 -16.154 -1.722 136 HZ PHE 18 HZ PHE 18 8.329 -16.298 -4.026 137 H ALA 19 H ALA 19 3.117 -12.309 -0.578 138 HA ALA 19 HA ALA 19 2.755 -15.119 -0.447 139 1HB ALA 19 1HB ALA 19 1.322 -12.897 1.070 140 2HB ALA 19 2HB ALA 19 1.361 -14.615 1.516 141 3HB ALA 19 3HB ALA 19 2.859 -13.662 1.531 142 H GLY 20 H GLY 20 0.517 -12.463 -1.314 143 1HA GLY 20 1HA GLY 20 -0.812 -12.733 -3.280 144 2HA GLY 20 2HA GLY 20 -1.161 -14.407 -2.850 145 H GLY 21 H GLY 21 -1.271 -11.465 -0.762 146 1HA GLY 21 1HA GLY 21 -4.121 -11.883 -0.130 147 2HA GLY 21 2HA GLY 21 -3.065 -10.581 0.436 148 H SER 22 H SER 22 -5.529 -9.749 -0.409 149 HA SER 22 HA SER 22 -5.457 -8.936 -3.217 150 1HB SER 22 1HB SER 22 -7.202 -7.947 -0.938 151 2HB SER 22 2HB SER 22 -7.466 -7.688 -2.670 152 HG SER 22 HG SER 22 -8.682 -9.454 -1.859 153 H ARG 23 H ARG 23 -5.143 -6.763 -3.948 154 HA ARG 23 HA ARG 23 -2.916 -5.409 -2.921 155 1HB ARG 23 1HB ARG 23 -5.174 -4.308 -4.648 156 2HB ARG 23 2HB ARG 23 -3.629 -3.513 -4.319 157 1HG ARG 23 1HG ARG 23 -2.514 -5.671 -5.248 158 2HG ARG 23 2HG ARG 23 -4.125 -6.088 -5.857 159 1HD ARG 23 1HD ARG 23 -2.936 -4.971 -7.624 160 2HD ARG 23 2HD ARG 23 -4.169 -3.845 -7.020 161 HE ARG 23 HE ARG 23 -1.565 -3.602 -5.709 162 1HH1 ARG 23 1HH2 ARG 23 -3.379 -2.525 -8.574 163 2HH1 ARG 23 2HH2 ARG 23 -2.509 -1.018 -8.690 164 1HH2 ARG 23 1HH1 ARG 23 -0.482 -1.668 -5.855 165 2HH2 ARG 23 2HH1 ARG 23 -0.898 -0.473 -7.063 166 H GLU 24 H GLU 24 -6.358 -4.429 -2.582 167 HA GLU 24 HA GLU 24 -5.916 -2.184 -0.944 168 1HB GLU 24 1HB GLU 24 -8.317 -4.055 -1.090 169 2HB GLU 24 2HB GLU 24 -8.293 -2.478 -0.283 170 1HG GLU 24 1HG GLU 24 -7.678 -1.394 -2.458 171 2HG GLU 24 2HG GLU 24 -7.794 -2.969 -3.258 172 HE2 GLU 24 HE GLU 24 -9.556 -0.554 -1.524 173 H ARG 25 H ARG 25 -6.560 -5.593 0.007 174 HA ARG 25 HA ARG 25 -6.680 -5.152 2.788 175 1HB ARG 25 1HB ARG 25 -7.334 -7.172 1.323 176 2HB ARG 25 2HB ARG 25 -5.670 -7.723 1.493 177 1HG ARG 25 1HG ARG 25 -7.595 -7.115 3.797 178 2HG ARG 25 2HG ARG 25 -7.363 -8.704 3.060 179 1HD ARG 25 1HD ARG 25 -4.917 -8.571 3.674 180 2HD ARG 25 2HD ARG 25 -5.305 -7.120 4.634 181 HE ARG 25 HE ARG 25 -7.129 -9.103 5.384 182 1HH1 ARG 25 1HH2 ARG 25 -3.630 -8.560 5.554 183 2HH1 ARG 25 2HH2 ARG 25 -3.412 -9.533 6.987 184 1HH2 ARG 25 1HH1 ARG 25 -6.841 -10.374 7.273 185 2HH2 ARG 25 2HH1 ARG 25 -5.254 -10.571 7.971 186 H CYS 26 H CYS 26 -3.917 -6.240 0.765 187 HA CYS 26 HA CYS 26 -1.916 -6.261 2.764 188 1HB CYS 26 1HB CYS 26 -1.776 -5.700 -0.228 189 2HB CYS 26 2HB CYS 26 -0.371 -5.955 0.802 190 H ALA 27 H ALA 27 -3.112 -3.583 0.707 191 HA ALA 27 HA ALA 27 -1.161 -1.679 1.495 192 1HB ALA 27 1HB ALA 27 -3.994 -1.192 0.537 193 2HB ALA 27 2HB ALA 27 -2.641 -0.043 0.544 194 3HB ALA 27 3HB ALA 27 -2.562 -1.482 -0.480 195 H LYS 28 H LYS 28 -4.492 -2.324 2.789 196 HA LYS 28 HA LYS 28 -4.432 -0.434 4.888 197 1HB LYS 28 1HB LYS 28 -5.931 -2.989 4.313 198 2HB LYS 28 2HB LYS 28 -5.893 -2.419 5.974 199 1HG LYS 28 1HG LYS 28 -7.847 -1.511 5.028 200 2HG LYS 28 2HG LYS 28 -6.701 -0.176 5.222 201 1HD LYS 28 1HD LYS 28 -6.144 -0.399 2.752 202 2HD LYS 28 2HD LYS 28 -7.345 -1.707 2.667 203 1HE LYS 28 1HE LYS 28 -8.375 0.290 1.834 204 2HE LYS 28 2HE LYS 28 -9.121 -0.120 3.387 205 1HZ LYS 28 1HZ LYS 28 -7.037 1.905 2.948 206 2HZ LYS 28 2HZ LYS 28 -8.638 2.202 3.205 207 3HZ LYS 28 3HZ LYS 28 -7.723 1.541 4.405 208 H LEU 29 H LEU 29 -3.464 -3.893 4.917 209 HA LEU 29 HA LEU 29 -2.686 -4.136 7.574 210 1HB LEU 29 1HB LEU 29 -2.885 -6.017 6.002 211 2HB LEU 29 2HB LEU 29 -1.526 -5.396 5.063 212 HG LEU 29 HG LEU 29 -0.017 -5.764 7.044 213 1HD1 LEU 29 1HD1 LEU 29 -1.668 -5.753 8.872 214 2HD1 LEU 29 2HD1 LEU 29 -2.483 -7.171 8.173 215 3HD1 LEU 29 3HD1 LEU 29 -0.836 -7.312 8.821 216 1HD2 LEU 29 1HD2 LEU 29 -1.475 -8.225 6.030 217 2HD2 LEU 29 2HD2 LEU 29 -0.182 -7.361 5.176 218 3HD2 LEU 29 3HD2 LEU 29 0.159 -8.162 6.718 219 H SER 30 H SER 30 -0.786 -2.975 4.787 220 HA SER 30 HA SER 30 1.673 -2.655 6.302 221 1HB SER 30 1HB SER 30 2.522 -1.699 4.217 222 2HB SER 30 2HB SER 30 1.718 -3.257 3.942 223 HG SER 30 HG SER 30 -0.102 -2.131 3.236 224 H GLY 31 H GLY 31 -0.990 -0.545 5.329 225 1HA GLY 31 1HA GLY 31 -1.477 1.461 6.587 226 2HA GLY 31 2HA GLY 31 0.251 1.797 6.727 227 H CYS 32 H CYS 32 -0.259 0.562 3.618 228 HA CYS 32 HA CYS 32 0.061 3.203 2.421 229 1HB CYS 32 1HB CYS 32 -0.175 0.508 1.054 230 2HB CYS 32 2HB CYS 32 0.502 1.970 0.383 231 H LYS 33 H LYS 33 -1.222 3.839 0.539 232 HA LYS 33 HA LYS 33 -4.128 3.190 0.749 233 1HB LYS 33 1HB LYS 33 -2.805 5.557 -0.608 234 2HB LYS 33 2HB LYS 33 -4.518 5.344 -0.257 235 1HG LYS 33 1HG LYS 33 -2.274 5.861 1.748 236 2HG LYS 33 2HG LYS 33 -3.449 7.007 1.118 237 1HD LYS 33 1HD LYS 33 -4.386 6.596 3.125 238 2HD LYS 33 2HD LYS 33 -5.277 5.437 2.141 239 1HE LYS 33 1HE LYS 33 -4.240 3.614 3.165 240 2HE LYS 33 2HE LYS 33 -2.730 4.501 3.479 241 1HZ LYS 33 1HZ LYS 33 -5.224 4.908 4.945 242 2HZ LYS 33 2HZ LYS 33 -3.922 4.033 5.461 243 3HZ LYS 33 3HZ LYS 33 -3.775 5.654 5.220 244 H ILE 34 H ILE 34 -5.199 2.600 -1.151 245 HA ILE 34 HA ILE 34 -3.692 2.488 -3.730 246 HB ILE 34 HB ILE 34 -5.808 0.549 -2.712 247 1HG1 ILE 34 1HG1 ILE 34 -3.642 0.255 -1.577 248 2HG1 ILE 34 2HG1 ILE 34 -4.180 -1.129 -2.513 249 1HG2 ILE 34 1HG2 ILE 34 -4.235 0.620 -5.322 250 2HG2 ILE 34 2HG2 ILE 34 -5.214 -0.755 -4.764 251 3HG2 ILE 34 3HG2 ILE 34 -5.987 0.794 -5.119 252 1HD1 ILE 34 1HD1 ILE 34 -2.069 0.872 -3.440 253 2HD1 ILE 34 2HD1 ILE 34 -1.744 -0.708 -2.718 254 3HD1 ILE 34 3HD1 ILE 34 -2.556 -0.615 -4.288 255 H ILE 35 H ILE 35 -4.492 4.244 -4.771 256 HA ILE 35 HA ILE 35 -7.398 4.253 -5.281 257 HB ILE 35 HB ILE 35 -7.515 6.658 -5.281 258 1HG1 ILE 35 1HG1 ILE 35 -4.658 6.683 -4.201 259 2HG1 ILE 35 2HG1 ILE 35 -5.205 7.282 -5.778 260 1HG2 ILE 35 1HG2 ILE 35 -8.048 5.309 -3.226 261 2HG2 ILE 35 2HG2 ILE 35 -6.444 5.738 -2.585 262 3HG2 ILE 35 3HG2 ILE 35 -7.656 6.996 -2.901 263 1HD1 ILE 35 1HD1 ILE 35 -6.712 8.908 -4.590 264 2HD1 ILE 35 2HD1 ILE 35 -5.920 8.437 -3.064 265 3HD1 ILE 35 3HD1 ILE 35 -4.980 9.185 -4.355 266 H SER 36 H SER 36 -7.912 4.601 -7.384 267 HA SER 36 HA SER 36 -5.674 4.497 -9.329 268 1HB SER 36 1HB SER 36 -8.648 3.946 -9.656 269 2HB SER 36 2HB SER 36 -7.371 3.623 -10.849 270 HG SER 36 HG SER 36 -6.440 2.186 -9.325 271 H ALA 37 H ALA 37 -6.275 7.041 -8.035 272 HA ALA 37 HA ALA 37 -7.718 8.659 -10.032 273 1HB ALA 37 1HB ALA 37 -6.366 9.397 -7.410 274 2HB ALA 37 2HB ALA 37 -7.418 10.446 -8.384 275 3HB ALA 37 3HB ALA 37 -8.085 8.994 -7.614 276 H SER 38 H SER 38 -4.684 7.388 -10.075 277 HA SER 38 HA SER 38 -2.621 7.957 -10.711 278 1HB SER 38 1HB SER 38 -3.823 8.329 -12.821 279 2HB SER 38 2HB SER 38 -4.059 10.032 -12.394 280 HG SER 38 HG SER 38 -1.794 10.247 -12.359 281 H THR 39 H THR 39 -3.573 9.129 -8.258 282 HA THR 39 HA THR 39 -1.685 11.343 -7.864 283 HB THR 39 HB THR 39 -4.688 11.613 -7.350 284 HG1 THR 39 1HG THR 39 -2.999 12.750 -9.311 285 1HG2 THR 39 1HG2 THR 39 -4.098 14.023 -6.933 286 2HG2 THR 39 2HG2 THR 39 -3.492 12.930 -5.691 287 3HG2 THR 39 3HG2 THR 39 -2.383 13.569 -6.934 288 H CYS 40 H CYS 40 -1.501 11.806 -5.501 289 HA CYS 40 HA CYS 40 -2.810 9.981 -3.634 290 1HB CYS 40 1HB CYS 40 0.213 10.249 -3.883 291 2HB CYS 40 2HB CYS 40 -0.599 9.605 -2.457 292 HA PRO 41 HA PRO 41 -2.799 13.939 -1.538 293 1HB PRO 41 1HB PRO 41 -3.508 13.256 1.000 294 2HB PRO 41 2HB PRO 41 -4.622 13.057 -0.383 295 1HG PRO 41 1HG PRO 41 -2.815 10.951 0.833 296 2HG PRO 41 2HG PRO 41 -4.573 10.826 0.524 297 1HD PRO 41 1HD PRO 41 -2.757 9.847 -1.249 298 2HD PRO 41 2HD PRO 41 -4.237 10.674 -1.821 299 H SER 42 H SER 42 -1.714 15.118 0.218 300 HA SER 42 HA SER 42 1.105 14.499 0.379 301 1HB SER 42 1HB SER 42 0.257 16.773 0.029 302 2HB SER 42 2HB SER 42 -0.547 16.740 1.612 303 HG SER 42 HG SER 42 1.511 16.459 2.550 304 H ASP 43 H ASP 43 0.462 12.389 1.468 305 HA ASP 43 HA ASP 43 0.883 12.557 4.397 306 1HB ASP 43 1HB ASP 43 -1.458 11.161 3.041 307 2HB ASP 43 2HB ASP 43 -0.977 10.885 4.724 308 HD2 ASP 43 HD ASP 43 -2.073 14.084 5.802 309 H TYR 44 H TYR 44 0.929 10.717 1.349 310 HA TYR 44 HA TYR 44 2.596 8.592 2.638 311 1HB TYR 44 1HB TYR 44 0.560 8.346 0.405 312 2HB TYR 44 2HB TYR 44 1.536 7.053 1.094 313 HD1 TYR 44 1HD TYR 44 1.208 6.427 3.522 314 HD2 TYR 44 2HD TYR 44 -1.447 9.123 1.504 315 HE1 TYR 44 1HE TYR 44 -0.464 6.076 5.309 316 HE2 TYR 44 2HE TYR 44 -3.076 8.900 3.355 317 HH TYR 44 HH TYR 44 -3.513 7.962 5.422 318 HA PRO 45 HA PRO 45 4.825 10.741 -0.802 319 1HB PRO 45 1HB PRO 45 7.176 11.393 0.427 320 2HB PRO 45 2HB PRO 45 5.668 12.332 0.600 321 1HG PRO 45 1HG PRO 45 6.775 10.263 2.501 322 2HG PRO 45 2HG PRO 45 6.139 11.882 2.887 323 1HD PRO 45 1HD PRO 45 4.628 9.602 3.114 324 2HD PRO 45 2HD PRO 45 3.931 11.179 2.629 325 H LYS 46 H LYS 46 5.383 7.749 0.819 326 HA LYS 46 HA LYS 46 7.713 7.063 -0.927 327 1HB LYS 46 1HB LYS 46 6.625 5.822 1.625 328 2HB LYS 46 2HB LYS 46 7.760 5.005 0.557 329 1HG LYS 46 1HG LYS 46 8.960 5.993 2.361 330 2HG LYS 46 2HG LYS 46 9.427 6.773 0.849 331 1HD LYS 46 1HD LYS 46 8.281 8.757 1.349 332 2HD LYS 46 2HD LYS 46 7.258 7.992 2.580 333 1HE LYS 46 1HE LYS 46 10.267 8.426 2.880 334 2HE LYS 46 2HE LYS 46 9.027 9.555 3.453 335 1HZ LYS 46 1HZ LYS 46 9.436 6.813 4.375 336 2HZ LYS 46 2HZ LYS 46 9.615 8.203 5.236 337 3HZ LYS 46 3HZ LYS 46 8.113 7.711 4.760 Start of MODEL 9 1 1H LYS 1 1H LYS 1 -2.562 6.661 -8.169 2 2H LYS 1 2H LYS 1 -3.373 5.867 -6.976 3 3H LYS 1 3H LYS 1 -2.187 6.936 -6.583 4 HA LYS 1 HA LYS 1 -1.855 4.416 -8.042 5 1HB LYS 1 1HB LYS 1 0.340 6.216 -6.942 6 2HB LYS 1 2HB LYS 1 0.530 4.743 -7.888 7 1HG LYS 1 1HG LYS 1 0.818 6.149 -9.611 8 2HG LYS 1 2HG LYS 1 -0.935 6.087 -9.672 9 1HD LYS 1 1HD LYS 1 -0.391 8.392 -9.824 10 2HD LYS 1 2HD LYS 1 -0.922 8.179 -8.155 11 1HE LYS 1 1HE LYS 1 0.994 9.604 -8.153 12 2HE LYS 1 2HE LYS 1 1.499 8.065 -7.447 13 1HZ LYS 1 1HZ LYS 1 1.974 8.955 -10.210 14 2HZ LYS 1 2HZ LYS 1 3.087 8.897 -8.998 15 3HZ LYS 1 3HZ LYS 1 2.447 7.502 -9.590 16 H SER 2 H SER 2 -0.070 3.080 -6.702 17 HA SER 2 HA SER 2 -1.035 2.682 -3.976 18 1HB SER 2 1HB SER 2 0.685 0.933 -3.888 19 2HB SER 2 2HB SER 2 -0.345 0.759 -5.321 20 HG SER 2 HG SER 2 1.776 0.527 -5.947 21 H CYS 3 H CYS 3 -0.156 3.701 -2.208 22 HA CYS 3 HA CYS 3 2.514 4.991 -2.345 23 1HB CYS 3 1HB CYS 3 -0.134 6.430 -2.171 24 2HB CYS 3 2HB CYS 3 1.335 7.112 -1.472 25 H CYS 4 H CYS 4 3.534 4.864 -0.478 26 HA CYS 4 HA CYS 4 2.087 3.843 1.904 27 1HB CYS 4 1HB CYS 4 4.873 3.325 0.830 28 2HB CYS 4 2HB CYS 4 4.300 2.712 2.362 29 HA PRO 5 HA PRO 5 3.859 7.195 4.252 30 1HB PRO 5 1HB PRO 5 3.991 6.141 6.762 31 2HB PRO 5 2HB PRO 5 2.443 6.506 5.962 32 1HG PRO 5 1HG PRO 5 3.856 3.826 6.096 33 2HG PRO 5 2HG PRO 5 2.148 4.182 6.473 34 1HD PRO 5 1HD PRO 5 2.876 3.213 4.053 35 2HD PRO 5 2HD PRO 5 1.612 4.449 4.182 36 H ASN 6 H ASN 6 5.401 3.979 4.379 37 HA ASN 6 HA ASN 6 8.073 5.195 4.814 38 1HB ASN 6 1HB ASN 6 6.843 2.982 6.502 39 2HB ASN 6 2HB ASN 6 8.520 3.534 6.582 40 1HD2 ASN 6 2HD2 ASN 6 5.453 3.932 7.960 41 2HD2 ASN 6 1HD2 ASN 6 5.738 5.460 8.759 42 H THR 7 H THR 7 9.809 3.699 4.390 43 HA THR 7 HA THR 7 9.506 1.964 2.162 44 HB THR 7 HB THR 7 11.724 1.964 4.248 45 HG1 THR 7 1HG THR 7 12.645 3.545 2.877 46 1HG2 THR 7 1HG2 THR 7 13.138 1.312 2.326 47 2HG2 THR 7 2HG2 THR 7 11.854 0.120 2.581 48 3HG2 THR 7 3HG2 THR 7 11.715 1.305 1.262 49 H THR 8 H THR 8 9.357 1.463 5.692 50 HA THR 8 HA THR 8 9.268 -1.386 5.689 51 HB THR 8 HB THR 8 7.958 0.542 7.644 52 HG1 THR 8 1HG THR 8 10.173 0.972 7.396 53 1HG2 THR 8 1HG2 THR 8 8.958 -2.332 7.939 54 2HG2 THR 8 2HG2 THR 8 8.352 -1.311 9.257 55 3HG2 THR 8 3HG2 THR 8 7.256 -1.818 7.961 56 H GLY 9 H GLY 9 6.795 1.158 5.191 57 1HA GLY 9 1HA GLY 9 4.466 -0.469 5.133 58 2HA GLY 9 2HA GLY 9 4.703 1.071 4.292 59 H ARG 10 H ARG 10 6.680 0.633 2.491 60 HA ARG 10 HA ARG 10 5.465 -0.848 0.400 61 1HB ARG 10 1HB ARG 10 8.322 0.119 0.804 62 2HB ARG 10 2HB ARG 10 7.811 -0.722 -0.660 63 1HG ARG 10 1HG ARG 10 6.477 1.815 0.337 64 2HG ARG 10 2HG ARG 10 7.841 1.800 -0.784 65 1HD ARG 10 1HD ARG 10 6.592 0.513 -2.431 66 2HD ARG 10 2HD ARG 10 5.194 0.399 -1.355 67 HE ARG 10 HE ARG 10 5.853 3.146 -1.685 68 1HH1 ARG 10 1HH2 ARG 10 4.266 0.451 -3.372 69 2HH1 ARG 10 2HH2 ARG 10 3.395 1.504 -4.465 70 1HH2 ARG 10 1HH1 ARG 10 4.814 4.484 -3.218 71 2HH2 ARG 10 2HH1 ARG 10 3.684 3.791 -4.351 72 H ASN 11 H ASN 11 8.065 -1.806 2.680 73 HA ASN 11 HA ASN 11 8.614 -4.334 1.568 74 1HB ASN 11 1HB ASN 11 10.076 -3.415 3.212 75 2HB ASN 11 2HB ASN 11 8.784 -3.266 4.400 76 1HD2 ASN 11 2HD2 ASN 11 8.438 -4.904 5.828 77 2HD2 ASN 11 1HD2 ASN 11 9.205 -6.474 5.727 78 H ILE 12 H ILE 12 6.270 -3.557 4.246 79 HA ILE 12 HA ILE 12 5.363 -6.234 4.517 80 HB ILE 12 HB ILE 12 4.005 -3.603 5.181 81 1HG1 ILE 12 1HG1 ILE 12 5.405 -5.588 7.025 82 2HG1 ILE 12 2HG1 ILE 12 6.235 -4.208 6.321 83 1HG2 ILE 12 1HG2 ILE 12 2.319 -5.454 5.000 84 2HG2 ILE 12 2HG2 ILE 12 3.310 -6.443 6.084 85 3HG2 ILE 12 3HG2 ILE 12 2.532 -4.962 6.672 86 1HD1 ILE 12 1HD1 ILE 12 3.858 -4.044 8.207 87 2HD1 ILE 12 2HD1 ILE 12 5.540 -3.608 8.532 88 3HD1 ILE 12 3HD1 ILE 12 4.596 -2.659 7.367 89 H TYR 13 H TYR 13 4.019 -3.494 2.631 90 HA TYR 13 HA TYR 13 1.810 -4.709 1.478 91 1HB TYR 13 1HB TYR 13 2.253 -2.345 1.271 92 2HB TYR 13 2HB TYR 13 3.759 -2.640 0.415 93 HD1 TYR 13 1HD TYR 13 0.117 -3.550 0.050 94 HD2 TYR 13 2HD TYR 13 3.730 -2.218 -1.882 95 HE1 TYR 13 1HE TYR 13 -1.088 -3.417 -2.110 96 HE2 TYR 13 2HE TYR 13 2.525 -2.070 -4.035 97 HH TYR 13 HH TYR 13 0.532 -2.407 -5.145 98 H ASN 14 H ASN 14 5.158 -4.625 0.142 99 HA ASN 14 HA ASN 14 4.604 -6.219 -2.145 100 1HB ASN 14 1HB ASN 14 7.120 -5.369 -0.698 101 2HB ASN 14 2HB ASN 14 7.199 -6.609 -1.937 102 1HD2 ASN 14 2HD2 ASN 14 6.282 -3.196 -1.412 103 2HD2 ASN 14 1HD2 ASN 14 6.399 -2.760 -3.109 104 H THR 15 H THR 15 5.780 -7.162 1.136 105 HA THR 15 HA THR 15 6.254 -9.887 0.476 106 HB THR 15 HB THR 15 5.512 -8.625 3.150 107 HG1 THR 15 1HG THR 15 8.002 -9.175 1.903 108 1HG2 THR 15 1HG2 THR 15 6.843 -11.291 2.480 109 2HG2 THR 15 2HG2 THR 15 6.745 -10.575 4.102 110 3HG2 THR 15 3HG2 THR 15 5.263 -11.069 3.267 111 H CYS 16 H CYS 16 3.352 -8.219 1.745 112 HA CYS 16 HA CYS 16 1.701 -10.536 1.977 113 1HB CYS 16 1HB CYS 16 1.256 -8.542 3.198 114 2HB CYS 16 2HB CYS 16 1.149 -7.567 1.737 115 H ARG 17 H ARG 17 2.106 -8.126 -0.666 116 HA ARG 17 HA ARG 17 0.204 -9.207 -2.473 117 1HB ARG 17 1HB ARG 17 2.796 -7.664 -2.837 118 2HB ARG 17 2HB ARG 17 1.791 -8.114 -4.208 119 1HG ARG 17 1HG ARG 17 0.390 -6.695 -1.951 120 2HG ARG 17 2HG ARG 17 1.561 -5.763 -2.893 121 1HD ARG 17 1HD ARG 17 -0.650 -5.513 -3.855 122 2HD ARG 17 2HD ARG 17 0.461 -6.311 -4.968 123 HE ARG 17 HE ARG 17 -1.363 -7.951 -3.256 124 1HH1 ARG 17 1HH2 ARG 17 -0.606 -6.810 -6.557 125 2HH1 ARG 17 2HH2 ARG 17 -1.608 -8.022 -7.309 126 1HH2 ARG 17 1HH1 ARG 17 -2.630 -9.502 -4.277 127 2HH2 ARG 17 2HH1 ARG 17 -2.762 -9.558 -6.019 128 H PHE 18 H PHE 18 3.666 -9.951 -1.974 129 HA PHE 18 HA PHE 18 3.935 -11.821 -4.095 130 1HB PHE 18 1HB PHE 18 5.842 -10.746 -3.053 131 2HB PHE 18 2HB PHE 18 5.461 -11.466 -1.493 132 HD1 PHE 18 1HD PHE 18 6.279 -13.630 -0.904 133 HD2 PHE 18 2HD PHE 18 6.444 -12.318 -5.011 134 HE1 PHE 18 1HE PHE 18 7.586 -15.648 -1.501 135 HE2 PHE 18 2HE PHE 18 7.738 -14.350 -5.603 136 HZ PHE 18 HZ PHE 18 8.320 -16.012 -3.849 137 H ALA 19 H ALA 19 3.140 -12.249 -0.610 138 HA ALA 19 HA ALA 19 2.920 -15.068 -0.594 139 1HB ALA 19 1HB ALA 19 2.971 -13.687 1.441 140 2HB ALA 19 2HB ALA 19 1.376 -13.012 1.042 141 3HB ALA 19 3HB ALA 19 1.540 -14.740 1.409 142 H GLY 20 H GLY 20 0.500 -12.532 -1.322 143 1HA GLY 20 1HA GLY 20 -0.728 -13.001 -3.409 144 2HA GLY 20 2HA GLY 20 -1.196 -14.565 -2.738 145 H GLY 21 H GLY 21 -1.084 -11.411 -1.014 146 1HA GLY 21 1HA GLY 21 -3.977 -11.616 -0.413 147 2HA GLY 21 2HA GLY 21 -2.802 -10.538 0.341 148 H SER 22 H SER 22 -5.386 -9.808 -0.826 149 HA SER 22 HA SER 22 -5.122 -8.737 -3.449 150 1HB SER 22 1HB SER 22 -7.005 -7.890 -1.209 151 2HB SER 22 2HB SER 22 -7.206 -7.562 -2.937 152 HG SER 22 HG SER 22 -7.135 -10.128 -1.724 153 H ARG 23 H ARG 23 -5.014 -6.506 -4.097 154 HA ARG 23 HA ARG 23 -2.807 -5.129 -3.080 155 1HB ARG 23 1HB ARG 23 -5.149 -4.082 -4.731 156 2HB ARG 23 2HB ARG 23 -3.619 -3.228 -4.474 157 1HG ARG 23 1HG ARG 23 -2.370 -5.060 -5.534 158 2HG ARG 23 2HG ARG 23 -3.870 -5.961 -5.823 159 1HD ARG 23 1HD ARG 23 -3.233 -3.191 -6.910 160 2HD ARG 23 2HD ARG 23 -3.049 -4.711 -7.812 161 HE ARG 23 HE ARG 23 -5.684 -4.677 -6.870 162 1HH1 ARG 23 1HH2 ARG 23 -3.693 -2.749 -9.094 163 2HH1 ARG 23 2HH2 ARG 23 -5.043 -2.283 -10.095 164 1HH2 ARG 23 1HH1 ARG 23 -7.435 -4.078 -8.201 165 2HH2 ARG 23 2HH1 ARG 23 -7.181 -3.046 -9.586 166 H GLU 24 H GLU 24 -6.265 -4.271 -2.693 167 HA GLU 24 HA GLU 24 -5.943 -2.087 -0.949 168 1HB GLU 24 1HB GLU 24 -8.202 -4.116 -1.224 169 2HB GLU 24 2HB GLU 24 -8.309 -2.622 -0.274 170 1HG GLU 24 1HG GLU 24 -7.820 -1.282 -2.300 171 2HG GLU 24 2HG GLU 24 -7.782 -2.763 -3.277 172 HE2 GLU 24 HE GLU 24 -9.451 -0.686 -3.783 173 H ARG 25 H ARG 25 -6.390 -5.579 -0.163 174 HA ARG 25 HA ARG 25 -6.622 -5.199 2.609 175 1HB ARG 25 1HB ARG 25 -7.251 -7.210 1.215 176 2HB ARG 25 2HB ARG 25 -5.550 -7.694 1.207 177 1HG ARG 25 1HG ARG 25 -5.553 -7.890 3.655 178 2HG ARG 25 2HG ARG 25 -7.153 -7.133 3.744 179 1HD ARG 25 1HD ARG 25 -7.472 -9.466 4.051 180 2HD ARG 25 2HD ARG 25 -8.126 -9.022 2.466 181 HE ARG 25 HE ARG 25 -5.350 -9.986 2.459 182 1HH1 ARG 25 1HH2 ARG 25 -8.758 -10.986 2.249 183 2HH1 ARG 25 2HH2 ARG 25 -8.388 -12.519 1.507 184 1HH2 ARG 25 1HH1 ARG 25 -4.886 -12.028 1.542 185 2HH2 ARG 25 2HH1 ARG 25 -6.179 -13.110 1.098 186 H CYS 26 H CYS 26 -3.786 -6.178 0.657 187 HA CYS 26 HA CYS 26 -1.867 -6.235 2.744 188 1HB CYS 26 1HB CYS 26 -1.605 -5.656 -0.241 189 2HB CYS 26 2HB CYS 26 -0.248 -5.948 0.841 190 H ALA 27 H ALA 27 -2.947 -3.574 0.604 191 HA ALA 27 HA ALA 27 -1.000 -1.688 1.428 192 1HB ALA 27 1HB ALA 27 -3.808 -1.249 0.347 193 2HB ALA 27 2HB ALA 27 -2.514 -0.037 0.407 194 3HB ALA 27 3HB ALA 27 -2.316 -1.470 -0.602 195 H LYS 28 H LYS 28 -4.415 -2.183 2.591 196 HA LYS 28 HA LYS 28 -4.425 -0.251 4.596 197 1HB LYS 28 1HB LYS 28 -6.326 -1.513 3.656 198 2HB LYS 28 2HB LYS 28 -5.796 -2.980 4.488 199 1HG LYS 28 1HG LYS 28 -6.082 -1.886 6.664 200 2HG LYS 28 2HG LYS 28 -6.495 -0.357 5.855 201 1HD LYS 28 1HD LYS 28 -8.483 -1.443 4.834 202 2HD LYS 28 2HD LYS 28 -8.072 -2.964 5.660 203 1HE LYS 28 1HE LYS 28 -8.327 -1.829 7.856 204 2HE LYS 28 2HE LYS 28 -8.721 -0.308 7.030 205 1HZ LYS 28 1HZ LYS 28 -10.277 -2.791 6.845 206 2HZ LYS 28 2HZ LYS 28 -10.664 -1.481 7.766 207 3HZ LYS 28 3HZ LYS 28 -10.652 -1.356 6.123 208 H LEU 29 H LEU 29 -3.596 -3.732 4.786 209 HA LEU 29 HA LEU 29 -3.010 -3.939 7.497 210 1HB LEU 29 1HB LEU 29 -3.205 -5.833 5.896 211 2HB LEU 29 2HB LEU 29 -1.686 -5.339 5.144 212 HG LEU 29 HG LEU 29 -0.534 -5.771 7.379 213 1HD1 LEU 29 1HD1 LEU 29 -3.199 -7.118 8.020 214 2HD1 LEU 29 2HD1 LEU 29 -1.706 -7.248 8.971 215 3HD1 LEU 29 3HD1 LEU 29 -2.540 -5.695 8.856 216 1HD2 LEU 29 1HD2 LEU 29 -0.385 -7.337 5.525 217 2HD2 LEU 29 2HD2 LEU 29 -0.552 -8.231 7.046 218 3HD2 LEU 29 3HD2 LEU 29 -1.949 -8.059 5.960 219 H SER 30 H SER 30 -0.905 -2.859 4.825 220 HA SER 30 HA SER 30 1.469 -2.675 6.520 221 1HB SER 30 1HB SER 30 2.526 -1.775 4.498 222 2HB SER 30 2HB SER 30 1.709 -3.322 4.202 223 HG SER 30 HG SER 30 0.021 -2.219 3.254 224 H GLY 31 H GLY 31 -0.979 -0.460 5.257 225 1HA GLY 31 1HA GLY 31 -1.495 1.531 6.583 226 2HA GLY 31 2HA GLY 31 0.235 1.858 6.721 227 H CYS 32 H CYS 32 -0.310 0.613 3.625 228 HA CYS 32 HA CYS 32 0.033 3.238 2.394 229 1HB CYS 32 1HB CYS 32 -0.230 0.517 1.082 230 2HB CYS 32 2HB CYS 32 0.497 1.949 0.382 231 H LYS 33 H LYS 33 -1.292 3.950 0.597 232 HA LYS 33 HA LYS 33 -4.155 3.081 0.699 233 1HB LYS 33 1HB LYS 33 -3.045 5.602 -0.554 234 2HB LYS 33 2HB LYS 33 -4.727 5.216 -0.193 235 1HG LYS 33 1HG LYS 33 -2.522 5.818 1.821 236 2HG LYS 33 2HG LYS 33 -3.759 6.922 1.232 237 1HD LYS 33 1HD LYS 33 -4.678 6.383 3.208 238 2HD LYS 33 2HD LYS 33 -5.493 5.198 2.188 239 1HE LYS 33 1HE LYS 33 -4.332 3.415 3.162 240 2HE LYS 33 2HE LYS 33 -2.890 4.399 3.508 241 1HZ LYS 33 1HZ LYS 33 -4.065 5.458 5.247 242 2HZ LYS 33 2HZ LYS 33 -5.406 4.528 4.979 243 3HZ LYS 33 3HZ LYS 33 -3.995 3.830 5.480 244 H ILE 34 H ILE 34 -5.050 2.277 -1.152 245 HA ILE 34 HA ILE 34 -3.609 2.533 -3.763 246 HB ILE 34 HB ILE 34 -5.846 0.614 -2.994 247 1HG1 ILE 34 1HG1 ILE 34 -3.909 -0.085 -1.779 248 2HG1 ILE 34 2HG1 ILE 34 -4.287 -1.205 -3.074 249 1HG2 ILE 34 1HG2 ILE 34 -4.159 0.860 -5.516 250 2HG2 ILE 34 2HG2 ILE 34 -5.277 -0.475 -5.159 251 3HG2 ILE 34 3HG2 ILE 34 -5.894 1.167 -5.353 252 1HD1 ILE 34 1HD1 ILE 34 -2.033 0.839 -3.052 253 2HD1 ILE 34 2HD1 ILE 34 -1.883 -0.918 -2.944 254 3HD1 ILE 34 3HD1 ILE 34 -2.437 -0.183 -4.454 255 H ILE 35 H ILE 35 -4.488 4.251 -4.880 256 HA ILE 35 HA ILE 35 -7.436 4.368 -5.018 257 HB ILE 35 HB ILE 35 -7.450 6.796 -5.063 258 1HG1 ILE 35 1HG1 ILE 35 -4.519 6.651 -4.210 259 2HG1 ILE 35 2HG1 ILE 35 -5.160 7.306 -5.728 260 1HG2 ILE 35 1HG2 ILE 35 -6.237 5.793 -2.459 261 2HG2 ILE 35 2HG2 ILE 35 -7.399 7.118 -2.675 262 3HG2 ILE 35 3HG2 ILE 35 -7.903 5.461 -2.983 263 1HD1 ILE 35 1HD1 ILE 35 -5.601 8.439 -2.942 264 2HD1 ILE 35 2HD1 ILE 35 -4.692 9.159 -4.269 265 3HD1 ILE 35 3HD1 ILE 35 -6.451 9.005 -4.404 266 H SER 36 H SER 36 -8.234 4.666 -6.998 267 HA SER 36 HA SER 36 -6.335 4.407 -9.251 268 1HB SER 36 1HB SER 36 -9.353 4.044 -9.086 269 2HB SER 36 2HB SER 36 -8.325 3.665 -10.482 270 HG SER 36 HG SER 36 -8.172 2.490 -7.907 271 H ALA 37 H ALA 37 -6.575 7.005 -7.945 272 HA ALA 37 HA ALA 37 -7.999 8.699 -9.930 273 1HB ALA 37 1HB ALA 37 -8.412 9.058 -7.512 274 2HB ALA 37 2HB ALA 37 -6.680 9.375 -7.274 275 3HB ALA 37 3HB ALA 37 -7.658 10.466 -8.281 276 H SER 38 H SER 38 -5.133 7.196 -9.985 277 HA SER 38 HA SER 38 -2.988 7.587 -10.517 278 1HB SER 38 1HB SER 38 -4.141 7.887 -12.668 279 2HB SER 38 2HB SER 38 -4.263 9.631 -12.367 280 HG SER 38 HG SER 38 -1.968 9.660 -12.275 281 H THR 39 H THR 39 -3.793 8.939 -8.168 282 HA THR 39 HA THR 39 -1.830 11.142 -8.008 283 HB THR 39 HB THR 39 -4.767 11.309 -7.156 284 HG1 THR 39 1HG THR 39 -4.584 11.594 -9.350 285 1HG2 THR 39 1HG2 THR 39 -4.223 13.739 -6.778 286 2HG2 THR 39 2HG2 THR 39 -3.465 12.660 -5.609 287 3HG2 THR 39 3HG2 THR 39 -2.500 13.344 -6.947 288 H CYS 40 H CYS 40 -1.403 11.631 -5.673 289 HA CYS 40 HA CYS 40 -2.418 9.736 -3.695 290 1HB CYS 40 1HB CYS 40 0.554 10.190 -4.175 291 2HB CYS 40 2HB CYS 40 -0.137 9.466 -2.720 292 HA PRO 41 HA PRO 41 -2.477 13.742 -1.729 293 1HB PRO 41 1HB PRO 41 -3.296 13.141 0.773 294 2HB PRO 41 2HB PRO 41 -4.324 12.774 -0.640 295 1HG PRO 41 1HG PRO 41 -2.404 10.883 0.755 296 2HG PRO 41 2HG PRO 41 -4.143 10.612 0.438 297 1HD PRO 41 1HD PRO 41 -2.228 9.672 -1.261 298 2HD PRO 41 2HD PRO 41 -3.762 10.345 -1.887 299 H SER 42 H SER 42 -1.497 14.974 0.064 300 HA SER 42 HA SER 42 1.321 14.383 0.387 301 1HB SER 42 1HB SER 42 0.401 16.650 -0.059 302 2HB SER 42 2HB SER 42 -0.350 16.646 1.549 303 HG SER 42 HG SER 42 2.421 16.407 0.944 304 H ASP 43 H ASP 43 0.726 12.311 1.449 305 HA ASP 43 HA ASP 43 0.909 12.476 4.394 306 1HB ASP 43 1HB ASP 43 -1.293 10.977 2.909 307 2HB ASP 43 2HB ASP 43 -0.926 10.784 4.628 308 HD2 ASP 43 HD ASP 43 -2.180 14.011 5.481 309 H TYR 44 H TYR 44 0.938 10.567 1.374 310 HA TYR 44 HA TYR 44 2.657 8.490 2.661 311 1HB TYR 44 1HB TYR 44 0.561 8.201 0.492 312 2HB TYR 44 2HB TYR 44 1.542 6.923 1.206 313 HD1 TYR 44 1HD TYR 44 1.386 6.700 3.823 314 HD2 TYR 44 2HD TYR 44 -1.553 8.746 1.458 315 HE1 TYR 44 1HE TYR 44 -0.291 6.274 5.586 316 HE2 TYR 44 2HE TYR 44 -3.204 8.472 3.285 317 HH TYR 44 HH TYR 44 -2.438 6.697 6.298 318 HA PRO 45 HA PRO 45 4.777 10.685 -0.768 319 1HB PRO 45 1HB PRO 45 7.199 11.211 0.349 320 2HB PRO 45 2HB PRO 45 5.714 12.102 0.791 321 1HG PRO 45 1HG PRO 45 6.927 9.728 2.217 322 2HG PRO 45 2HG PRO 45 6.451 11.294 2.938 323 1HD PRO 45 1HD PRO 45 4.810 9.129 3.008 324 2HD PRO 45 2HD PRO 45 4.158 10.774 2.734 325 H LYS 46 H LYS 46 5.518 7.556 0.560 326 HA LYS 46 HA LYS 46 7.517 7.044 -1.621 327 1HB LYS 46 1HB LYS 46 6.984 5.614 1.000 328 2HB LYS 46 2HB LYS 46 7.723 4.816 -0.376 329 1HG LYS 46 1HG LYS 46 9.532 5.520 0.894 330 2HG LYS 46 2HG LYS 46 9.483 6.553 -0.529 331 1HD LYS 46 1HD LYS 46 10.050 7.801 1.485 332 2HD LYS 46 2HD LYS 46 8.525 8.401 0.823 333 1HE LYS 46 1HE LYS 46 7.232 7.256 2.502 334 2HE LYS 46 2HE LYS 46 8.615 6.240 2.961 335 1HZ LYS 46 1HZ LYS 46 9.650 8.121 3.922 336 2HZ LYS 46 2HZ LYS 46 8.435 9.125 3.437 337 3HZ LYS 46 3HZ LYS 46 8.127 7.939 4.540 Start of MODEL 10 1 1H LYS 1 1H LYS 1 -3.100 4.272 -8.946 2 2H LYS 1 2H LYS 1 -3.277 3.301 -7.625 3 3H LYS 1 3H LYS 1 -3.335 4.932 -7.453 4 HA LYS 1 HA LYS 1 -1.042 3.345 -8.297 5 1HB LYS 1 1HB LYS 1 -1.319 5.725 -9.251 6 2HB LYS 1 2HB LYS 1 -0.991 6.301 -7.609 7 1HG LYS 1 1HG LYS 1 1.210 5.040 -7.688 8 2HG LYS 1 2HG LYS 1 0.789 4.488 -9.311 9 1HD LYS 1 1HD LYS 1 2.232 6.311 -9.700 10 2HD LYS 1 2HD LYS 1 0.612 6.916 -10.033 11 1HE LYS 1 1HE LYS 1 1.886 8.572 -8.782 12 2HE LYS 1 2HE LYS 1 0.555 7.997 -7.776 13 1HZ LYS 1 1HZ LYS 1 3.337 7.050 -7.620 14 2HZ LYS 1 2HZ LYS 1 2.647 8.146 -6.601 15 3HZ LYS 1 3HZ LYS 1 2.105 6.594 -6.626 16 H SER 2 H SER 2 0.427 2.771 -6.692 17 HA SER 2 HA SER 2 -0.635 2.778 -3.985 18 1HB SER 2 1HB SER 2 1.250 1.205 -3.581 19 2HB SER 2 2HB SER 2 0.292 0.718 -4.991 20 HG SER 2 HG SER 2 2.478 2.411 -5.406 21 H CYS 3 H CYS 3 0.150 3.881 -2.236 22 HA CYS 3 HA CYS 3 2.769 5.251 -2.337 23 1HB CYS 3 1HB CYS 3 0.087 6.614 -2.228 24 2HB CYS 3 2HB CYS 3 1.510 7.308 -1.467 25 H CYS 4 H CYS 4 3.764 5.119 -0.448 26 HA CYS 4 HA CYS 4 2.265 4.032 1.882 27 1HB CYS 4 1HB CYS 4 5.041 3.506 0.780 28 2HB CYS 4 2HB CYS 4 4.593 3.042 2.409 29 HA PRO 5 HA PRO 5 3.996 7.363 4.326 30 1HB PRO 5 1HB PRO 5 4.187 6.181 6.797 31 2HB PRO 5 2HB PRO 5 2.628 6.610 6.052 32 1HG PRO 5 1HG PRO 5 3.975 3.895 6.030 33 2HG PRO 5 2HG PRO 5 2.285 4.287 6.455 34 1HD PRO 5 1HD PRO 5 2.957 3.411 3.991 35 2HD PRO 5 2HD PRO 5 1.734 4.681 4.194 36 H ASN 6 H ASN 6 5.544 4.109 4.405 37 HA ASN 6 HA ASN 6 8.218 5.266 4.399 38 1HB ASN 6 1HB ASN 6 8.890 4.186 6.533 39 2HB ASN 6 2HB ASN 6 7.737 5.496 6.755 40 1HD2 ASN 6 2HD2 ASN 6 5.852 5.079 7.852 41 2HD2 ASN 6 1HD2 ASN 6 5.289 3.487 8.304 42 H THR 7 H THR 7 9.881 3.555 4.603 43 HA THR 7 HA THR 7 9.563 1.718 2.526 44 HB THR 7 HB THR 7 11.721 1.743 4.673 45 HG1 THR 7 1HG THR 7 12.708 3.242 3.240 46 1HG2 THR 7 1HG2 THR 7 13.164 1.001 2.780 47 2HG2 THR 7 2HG2 THR 7 11.879 -0.172 3.104 48 3HG2 THR 7 3HG2 THR 7 11.738 0.938 1.723 49 H THR 8 H THR 8 9.244 1.251 6.074 50 HA THR 8 HA THR 8 9.272 -1.625 5.943 51 HB THR 8 HB THR 8 7.961 0.115 8.065 52 HG1 THR 8 1HG THR 8 10.135 0.657 7.812 53 1HG2 THR 8 1HG2 THR 8 8.483 -1.864 9.499 54 2HG2 THR 8 2HG2 THR 8 7.329 -2.259 8.216 55 3HG2 THR 8 3HG2 THR 8 9.028 -2.749 8.063 56 H GLY 9 H GLY 9 6.761 0.898 5.666 57 1HA GLY 9 1HA GLY 9 4.449 -0.692 5.408 58 2HA GLY 9 2HA GLY 9 4.740 0.864 4.612 59 H ARG 10 H ARG 10 6.730 0.465 2.828 60 HA ARG 10 HA ARG 10 5.574 -0.983 0.700 61 1HB ARG 10 1HB ARG 10 8.440 -0.094 1.191 62 2HB ARG 10 2HB ARG 10 7.946 -0.894 -0.298 63 1HG ARG 10 1HG ARG 10 6.621 1.644 0.712 64 2HG ARG 10 2HG ARG 10 8.024 1.632 -0.360 65 1HD ARG 10 1HD ARG 10 6.830 0.412 -2.083 66 2HD ARG 10 2HD ARG 10 5.390 0.256 -1.061 67 HE ARG 10 HE ARG 10 6.189 2.999 -1.329 68 1HH1 ARG 10 1HH2 ARG 10 4.517 0.429 -3.130 69 2HH1 ARG 10 2HH2 ARG 10 3.636 1.548 -4.139 70 1HH2 ARG 10 1HH1 ARG 10 5.010 4.425 -2.558 71 2HH2 ARG 10 2HH1 ARG 10 3.913 3.870 -3.804 72 H ASN 11 H ASN 11 8.118 -2.050 3.006 73 HA ASN 11 HA ASN 11 8.624 -4.553 1.807 74 1HB ASN 11 1HB ASN 11 10.095 -3.713 3.489 75 2HB ASN 11 2HB ASN 11 8.803 -3.598 4.683 76 1HD2 ASN 11 2HD2 ASN 11 8.294 -5.355 5.950 77 2HD2 ASN 11 1HD2 ASN 11 9.094 -6.905 5.811 78 H ILE 12 H ILE 12 6.246 -3.758 4.433 79 HA ILE 12 HA ILE 12 5.231 -6.400 4.674 80 HB ILE 12 HB ILE 12 3.973 -3.703 5.284 81 1HG1 ILE 12 1HG1 ILE 12 5.138 -5.745 7.219 82 2HG1 ILE 12 2HG1 ILE 12 6.139 -4.489 6.506 83 1HG2 ILE 12 1HG2 ILE 12 2.185 -5.410 5.049 84 2HG2 ILE 12 2HG2 ILE 12 3.086 -6.514 6.102 85 3HG2 ILE 12 3HG2 ILE 12 2.401 -5.014 6.748 86 1HD1 ILE 12 1HD1 ILE 12 4.674 -2.730 7.425 87 2HD1 ILE 12 2HD1 ILE 12 3.689 -3.972 8.233 88 3HD1 ILE 12 3HD1 ILE 12 5.388 -3.761 8.680 89 H TYR 13 H TYR 13 4.123 -3.615 2.720 90 HA TYR 13 HA TYR 13 1.857 -4.726 1.540 91 1HB TYR 13 1HB TYR 13 2.414 -2.364 1.419 92 2HB TYR 13 2HB TYR 13 3.883 -2.707 0.520 93 HD1 TYR 13 1HD TYR 13 0.201 -3.431 0.236 94 HD2 TYR 13 2HD TYR 13 3.810 -2.198 -1.765 95 HE1 TYR 13 1HE TYR 13 -1.073 -3.104 -1.861 96 HE2 TYR 13 2HE TYR 13 2.521 -1.797 -3.841 97 HH TYR 13 HH TYR 13 -1.020 -2.342 -4.010 98 H ASN 14 H ASN 14 5.229 -4.723 0.291 99 HA ASN 14 HA ASN 14 4.679 -6.185 -2.086 100 1HB ASN 14 1HB ASN 14 7.189 -5.494 -0.537 101 2HB ASN 14 2HB ASN 14 7.253 -6.658 -1.851 102 1HD2 ASN 14 2HD2 ASN 14 6.245 -3.283 -1.147 103 2HD2 ASN 14 1HD2 ASN 14 6.500 -2.723 -2.791 104 H THR 15 H THR 15 5.810 -7.288 1.164 105 HA THR 15 HA THR 15 6.165 -10.007 0.417 106 HB THR 15 HB THR 15 5.478 -8.785 3.124 107 HG1 THR 15 1HG THR 15 7.938 -9.463 1.883 108 1HG2 THR 15 1HG2 THR 15 6.605 -10.836 4.020 109 2HG2 THR 15 2HG2 THR 15 5.081 -11.202 3.199 110 3HG2 THR 15 3HG2 THR 15 6.629 -11.515 2.379 111 H CYS 16 H CYS 16 3.333 -8.267 1.756 112 HA CYS 16 HA CYS 16 1.585 -10.500 1.934 113 1HB CYS 16 1HB CYS 16 1.200 -8.495 3.150 114 2HB CYS 16 2HB CYS 16 1.150 -7.510 1.692 115 H ARG 17 H ARG 17 2.073 -8.083 -0.683 116 HA ARG 17 HA ARG 17 0.153 -9.072 -2.503 117 1HB ARG 17 1HB ARG 17 2.807 -7.633 -2.849 118 2HB ARG 17 2HB ARG 17 1.783 -8.017 -4.227 119 1HG ARG 17 1HG ARG 17 0.463 -6.574 -1.934 120 2HG ARG 17 2HG ARG 17 1.651 -5.676 -2.889 121 1HD ARG 17 1HD ARG 17 -0.589 -5.362 -3.784 122 2HD ARG 17 2HD ARG 17 0.489 -6.126 -4.940 123 HE ARG 17 HE ARG 17 -1.459 -7.677 -3.238 124 1HH1 ARG 17 1HH2 ARG 17 -0.111 -7.085 -6.501 125 2HH1 ARG 17 2HH2 ARG 17 -1.017 -8.394 -7.206 126 1HH2 ARG 17 1HH1 ARG 17 -2.583 -9.361 -4.209 127 2HH2 ARG 17 2HH1 ARG 17 -2.439 -9.672 -5.921 128 H PHE 18 H PHE 18 3.607 -9.916 -2.092 129 HA PHE 18 HA PHE 18 3.780 -11.766 -4.232 130 1HB PHE 18 1HB PHE 18 5.720 -10.736 -3.175 131 2HB PHE 18 2HB PHE 18 5.354 -11.521 -1.643 132 HD1 PHE 18 1HD PHE 18 6.254 -13.677 -1.157 133 HD2 PHE 18 2HD PHE 18 6.181 -12.262 -5.232 134 HE1 PHE 18 1HE PHE 18 7.607 -15.629 -1.864 135 HE2 PHE 18 2HE PHE 18 7.524 -14.228 -5.933 136 HZ PHE 18 HZ PHE 18 8.245 -15.908 -4.250 137 H ALA 19 H ALA 19 2.992 -12.220 -0.751 138 HA ALA 19 HA ALA 19 2.752 -15.037 -0.773 139 1HB ALA 19 1HB ALA 19 2.838 -13.682 1.280 140 2HB ALA 19 2HB ALA 19 1.235 -13.006 0.917 141 3HB ALA 19 3HB ALA 19 1.412 -14.739 1.251 142 H GLY 20 H GLY 20 0.356 -12.461 -1.508 143 1HA GLY 20 1HA GLY 20 -0.879 -13.333 -3.623 144 2HA GLY 20 2HA GLY 20 -1.594 -14.491 -2.494 145 H GLY 21 H GLY 21 -1.241 -11.812 -0.575 146 1HA GLY 21 1HA GLY 21 -4.030 -11.418 -0.421 147 2HA GLY 21 2HA GLY 21 -2.790 -10.408 0.327 148 H SER 22 H SER 22 -5.385 -9.720 -1.080 149 HA SER 22 HA SER 22 -4.944 -8.603 -3.620 150 1HB SER 22 1HB SER 22 -6.903 -7.656 -1.493 151 2HB SER 22 2HB SER 22 -7.052 -7.461 -3.250 152 HG SER 22 HG SER 22 -8.261 -9.237 -2.478 153 H ARG 23 H ARG 23 -4.825 -6.341 -4.258 154 HA ARG 23 HA ARG 23 -2.678 -4.977 -3.097 155 1HB ARG 23 1HB ARG 23 -4.881 -3.747 -4.809 156 2HB ARG 23 2HB ARG 23 -3.270 -3.092 -4.497 157 1HG ARG 23 1HG ARG 23 -2.400 -5.347 -5.533 158 2HG ARG 23 2HG ARG 23 -4.060 -5.527 -6.126 159 1HD ARG 23 1HD ARG 23 -2.977 -4.433 -7.910 160 2HD ARG 23 2HD ARG 23 -3.779 -3.122 -7.063 161 HE ARG 23 HE ARG 23 -1.742 -2.311 -6.252 162 1HH1 ARG 23 1HH2 ARG 23 -1.182 -5.260 -8.177 163 2HH1 ARG 23 2HH2 ARG 23 0.540 -5.003 -8.263 164 1HH2 ARG 23 1HH1 ARG 23 0.520 -2.088 -6.277 165 2HH2 ARG 23 2HH1 ARG 23 1.508 -3.184 -7.212 166 H GLU 24 H GLU 24 -6.170 -4.101 -2.846 167 HA GLU 24 HA GLU 24 -5.885 -1.953 -1.097 168 1HB GLU 24 1HB GLU 24 -7.894 -2.652 -2.399 169 2HB GLU 24 2HB GLU 24 -8.192 -3.955 -1.248 170 1HG GLU 24 1HG GLU 24 -8.014 -0.986 -0.553 171 2HG GLU 24 2HG GLU 24 -9.519 -1.838 -0.923 172 HE2 GLU 24 HE GLU 24 -8.063 -0.616 1.540 173 H ARG 25 H ARG 25 -6.481 -5.416 -0.329 174 HA ARG 25 HA ARG 25 -6.701 -5.175 2.435 175 1HB ARG 25 1HB ARG 25 -7.284 -7.119 0.993 176 2HB ARG 25 2HB ARG 25 -5.575 -7.537 0.856 177 1HG ARG 25 1HG ARG 25 -5.402 -7.906 3.258 178 2HG ARG 25 2HG ARG 25 -7.052 -7.312 3.521 179 1HD ARG 25 1HD ARG 25 -6.324 -9.774 1.871 180 2HD ARG 25 2HD ARG 25 -6.879 -9.785 3.559 181 HE ARG 25 HE ARG 25 -8.752 -8.328 2.001 182 1HH1 ARG 25 1HH2 ARG 25 -7.662 -11.675 2.472 183 2HH1 ARG 25 2HH2 ARG 25 -9.206 -12.368 2.050 184 1HH2 ARG 25 1HH1 ARG 25 -10.768 -9.252 1.440 185 2HH2 ARG 25 2HH1 ARG 25 -10.977 -10.984 1.460 186 H CYS 26 H CYS 26 -3.801 -5.984 0.503 187 HA CYS 26 HA CYS 26 -1.948 -6.102 2.654 188 1HB CYS 26 1HB CYS 26 -1.570 -5.479 -0.302 189 2HB CYS 26 2HB CYS 26 -0.260 -5.790 0.836 190 H ALA 27 H ALA 27 -3.021 -3.366 0.592 191 HA ALA 27 HA ALA 27 -1.113 -1.479 1.521 192 1HB ALA 27 1HB ALA 27 -3.943 -0.971 0.537 193 2HB ALA 27 2HB ALA 27 -2.603 0.190 0.608 194 3HB ALA 27 3HB ALA 27 -2.497 -1.207 -0.472 195 H LYS 28 H LYS 28 -4.460 -2.235 2.677 196 HA LYS 28 HA LYS 28 -4.555 -0.453 4.823 197 1HB LYS 28 1HB LYS 28 -6.270 -2.112 3.691 198 2HB LYS 28 2HB LYS 28 -5.790 -3.227 4.963 199 1HG LYS 28 1HG LYS 28 -6.870 -0.394 5.356 200 2HG LYS 28 2HG LYS 28 -7.820 -1.883 5.426 201 1HD LYS 28 1HD LYS 28 -6.474 -2.674 7.364 202 2HD LYS 28 2HD LYS 28 -5.529 -1.166 7.313 203 1HE LYS 28 1HE LYS 28 -7.580 0.156 7.694 204 2HE LYS 28 2HE LYS 28 -8.520 -1.347 7.811 205 1HZ LYS 28 1HZ LYS 28 -6.311 -0.540 9.574 206 2HZ LYS 28 2HZ LYS 28 -7.915 -0.531 9.953 207 3HZ LYS 28 3HZ LYS 28 -7.140 -1.960 9.680 208 H LEU 29 H LEU 29 -3.602 -3.911 4.814 209 HA LEU 29 HA LEU 29 -2.874 -4.247 7.461 210 1HB LEU 29 1HB LEU 29 -3.112 -6.048 5.810 211 2HB LEU 29 2HB LEU 29 -1.698 -5.458 4.935 212 HG LEU 29 HG LEU 29 -0.254 -5.999 6.899 213 1HD1 LEU 29 1HD1 LEU 29 -2.846 -7.171 8.015 214 2HD1 LEU 29 2HD1 LEU 29 -1.224 -7.518 8.649 215 3HD1 LEU 29 3HD1 LEU 29 -1.867 -5.875 8.739 216 1HD2 LEU 29 1HD2 LEU 29 -0.566 -7.572 5.018 217 2HD2 LEU 29 2HD2 LEU 29 -0.290 -8.410 6.554 218 3HD2 LEU 29 3HD2 LEU 29 -1.930 -8.323 5.876 219 H SER 30 H SER 30 -0.871 -2.991 4.777 220 HA SER 30 HA SER 30 1.546 -2.810 6.406 221 1HB SER 30 1HB SER 30 2.493 -1.759 4.419 222 2HB SER 30 2HB SER 30 1.700 -3.298 4.026 223 HG SER 30 HG SER 30 -0.076 -2.117 3.283 224 H GLY 31 H GLY 31 -1.079 -0.656 5.486 225 1HA GLY 31 1HA GLY 31 -1.657 1.332 6.582 226 2HA GLY 31 2HA GLY 31 -0.005 1.537 7.178 227 H CYS 32 H CYS 32 -0.523 0.605 3.822 228 HA CYS 32 HA CYS 32 0.227 3.305 2.828 229 1HB CYS 32 1HB CYS 32 0.095 0.656 1.351 230 2HB CYS 32 2HB CYS 32 0.766 2.165 0.769 231 H LYS 33 H LYS 33 -0.926 3.986 0.854 232 HA LYS 33 HA LYS 33 -3.814 3.217 0.809 233 1HB LYS 33 1HB LYS 33 -2.743 5.952 0.089 234 2HB LYS 33 2HB LYS 33 -4.399 5.482 0.492 235 1HG LYS 33 1HG LYS 33 -2.015 5.702 2.366 236 2HG LYS 33 2HG LYS 33 -3.365 6.818 2.285 237 1HD LYS 33 1HD LYS 33 -4.779 5.493 3.511 238 2HD LYS 33 2HD LYS 33 -4.203 4.011 2.783 239 1HE LYS 33 1HE LYS 33 -3.383 3.647 4.841 240 2HE LYS 33 2HE LYS 33 -1.991 4.474 4.164 241 1HZ LYS 33 1HZ LYS 33 -2.780 6.508 5.180 242 2HZ LYS 33 2HZ LYS 33 -4.089 5.721 5.804 243 3HZ LYS 33 3HZ LYS 33 -2.569 5.327 6.301 244 H ILE 34 H ILE 34 -4.641 2.602 -1.056 245 HA ILE 34 HA ILE 34 -3.229 3.177 -3.621 246 HB ILE 34 HB ILE 34 -5.373 1.075 -3.192 247 1HG1 ILE 34 1HG1 ILE 34 -3.700 0.390 -1.647 248 2HG1 ILE 34 2HG1 ILE 34 -3.762 -0.688 -3.029 249 1HG2 ILE 34 1HG2 ILE 34 -3.231 1.421 -5.327 250 2HG2 ILE 34 2HG2 ILE 34 -4.417 0.102 -5.241 251 3HG2 ILE 34 3HG2 ILE 34 -4.958 1.768 -5.494 252 1HD1 ILE 34 1HD1 ILE 34 -1.730 0.412 -3.976 253 2HD1 ILE 34 2HD1 ILE 34 -1.640 1.431 -2.512 254 3HD1 ILE 34 3HD1 ILE 34 -1.443 -0.317 -2.393 255 H ILE 35 H ILE 35 -4.351 4.715 -4.847 256 HA ILE 35 HA ILE 35 -7.306 4.642 -4.736 257 HB ILE 35 HB ILE 35 -7.488 7.062 -4.882 258 1HG1 ILE 35 1HG1 ILE 35 -4.546 7.209 -4.082 259 2HG1 ILE 35 2HG1 ILE 35 -5.187 7.571 -5.693 260 1HG2 ILE 35 1HG2 ILE 35 -7.734 5.802 -2.724 261 2HG2 ILE 35 2HG2 ILE 35 -6.062 6.257 -2.318 262 3HG2 ILE 35 3HG2 ILE 35 -7.312 7.501 -2.522 263 1HD1 ILE 35 1HD1 ILE 35 -5.829 9.092 -3.145 264 2HD1 ILE 35 2HD1 ILE 35 -4.904 9.653 -4.547 265 3HD1 ILE 35 3HD1 ILE 35 -6.643 9.342 -4.705 266 H SER 36 H SER 36 -8.334 5.030 -6.626 267 HA SER 36 HA SER 36 -6.671 4.683 -9.041 268 1HB SER 36 1HB SER 36 -8.576 3.138 -8.457 269 2HB SER 36 2HB SER 36 -9.689 4.496 -8.708 270 HG SER 36 HG SER 36 -7.880 3.381 -10.602 271 H ALA 37 H ALA 37 -6.459 7.235 -7.900 272 HA ALA 37 HA ALA 37 -8.067 9.043 -9.648 273 1HB ALA 37 1HB ALA 37 -6.305 9.595 -7.235 274 2HB ALA 37 2HB ALA 37 -7.285 10.792 -8.111 275 3HB ALA 37 3HB ALA 37 -8.077 9.478 -7.220 276 H SER 38 H SER 38 -5.363 7.280 -10.078 277 HA SER 38 HA SER 38 -3.274 7.477 -10.858 278 1HB SER 38 1HB SER 38 -4.570 8.000 -12.892 279 2HB SER 38 2HB SER 38 -4.489 9.729 -12.500 280 HG SER 38 HG SER 38 -2.207 9.538 -12.622 281 H THR 39 H THR 39 -3.733 8.726 -8.408 282 HA THR 39 HA THR 39 -1.670 10.784 -8.161 283 HB THR 39 HB THR 39 -4.609 11.294 -7.451 284 HG1 THR 39 1HG THR 39 -4.294 11.544 -9.638 285 1HG2 THR 39 1HG2 THR 39 -3.792 13.674 -7.120 286 2HG2 THR 39 2HG2 THR 39 -3.322 12.550 -5.857 287 3HG2 THR 39 3HG2 THR 39 -2.138 13.039 -7.103 288 H CYS 40 H CYS 40 -1.687 11.340 -5.628 289 HA CYS 40 HA CYS 40 -2.489 8.985 -4.021 290 1HB CYS 40 1HB CYS 40 0.269 10.235 -4.247 291 2HB CYS 40 2HB CYS 40 -0.230 9.301 -2.843 292 HA PRO 41 HA PRO 41 -3.979 12.042 -1.292 293 1HB PRO 41 1HB PRO 41 -3.909 10.808 1.170 294 2HB PRO 41 2HB PRO 41 -4.993 10.321 -0.161 295 1HG PRO 41 1HG PRO 41 -2.307 9.124 0.560 296 2HG PRO 41 2HG PRO 41 -3.849 8.266 0.275 297 1HD PRO 41 1HD PRO 41 -1.970 8.504 -1.657 298 2HD PRO 41 2HD PRO 41 -3.706 8.636 -2.054 299 H SER 42 H SER 42 -3.581 13.089 0.862 300 HA SER 42 HA SER 42 -2.070 15.080 0.711 301 1HB SER 42 1HB SER 42 -3.533 14.660 2.604 302 2HB SER 42 2HB SER 42 -2.320 13.606 3.356 303 HG SER 42 HG SER 42 -2.058 16.372 2.754 304 H ASP 43 H ASP 43 -0.429 12.401 2.568 305 HA ASP 43 HA ASP 43 2.129 13.240 1.380 306 1HB ASP 43 1HB ASP 43 1.815 14.833 3.237 307 2HB ASP 43 2HB ASP 43 1.597 13.490 4.367 308 HD2 ASP 43 HD ASP 43 3.851 14.335 1.793 309 H TYR 44 H TYR 44 1.950 11.176 0.477 310 HA TYR 44 HA TYR 44 3.181 9.103 2.232 311 1HB TYR 44 1HB TYR 44 0.964 8.688 0.190 312 2HB TYR 44 2HB TYR 44 1.936 7.397 0.901 313 HD1 TYR 44 1HD TYR 44 -0.485 10.135 1.777 314 HD2 TYR 44 2HD TYR 44 1.193 6.324 2.825 315 HE1 TYR 44 1HE TYR 44 -1.946 10.041 3.765 316 HE2 TYR 44 2HE TYR 44 -0.170 6.274 4.894 317 HH TYR 44 HH TYR 44 -2.360 8.988 5.763 318 HA PRO 45 HA PRO 45 5.326 10.068 -1.791 319 1HB PRO 45 1HB PRO 45 7.539 11.416 -1.054 320 2HB PRO 45 2HB PRO 45 5.923 12.171 -1.021 321 1HG PRO 45 1HG PRO 45 7.407 10.922 1.295 322 2HG PRO 45 2HG PRO 45 6.663 12.539 1.233 323 1HD PRO 45 1HD PRO 45 5.353 10.343 2.289 324 2HD PRO 45 2HD PRO 45 4.518 11.670 1.430 325 H LYS 46 H LYS 46 5.735 7.785 0.528 326 HA LYS 46 HA LYS 46 8.273 6.707 -0.626 327 1HB LYS 46 1HB LYS 46 7.059 6.610 2.105 328 2HB LYS 46 2HB LYS 46 7.711 5.097 1.494 329 1HG LYS 46 1HG LYS 46 9.456 6.212 2.706 330 2HG LYS 46 2HG LYS 46 9.867 6.116 1.004 331 1HD LYS 46 1HD LYS 46 10.513 8.281 1.909 332 2HD LYS 46 2HD LYS 46 9.271 8.487 0.679 333 1HE LYS 46 1HE LYS 46 8.950 9.951 2.652 334 2HE LYS 46 2HE LYS 46 7.561 8.876 2.399 335 1HZ LYS 46 1HZ LYS 46 8.305 7.530 4.152 336 2HZ LYS 46 2HZ LYS 46 9.728 8.366 4.311 337 3HZ LYS 46 3HZ LYS 46 8.287 9.076 4.689
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