NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
577098 | 2m96 | 19283 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 8.723 -1.693 0.202 2 HA2 GLY 1 HA2 GLY 1 6.050 -1.535 -0.297 3 HA3 GLY 1 HA3 GLY 1 6.164 -1.210 1.426 4 H SER 2 H SER 2 5.920 0.250 -1.466 5 HA SER 2 HA SER 2 6.965 2.755 -0.407 6 HB2 SER 2 HB2 SER 2 8.235 1.259 -2.555 7 HB3 SER 2 HB3 SER 2 7.747 2.870 -3.081 8 HG SER 2 HG SER 2 9.453 3.537 -2.069 9 H MET 3 H MET 3 5.067 3.811 -0.352 10 HA MET 3 HA MET 3 3.473 3.887 -2.829 11 HB2 MET 3 HB2 MET 3 2.682 3.906 0.057 12 HB3 MET 3 HB3 MET 3 1.649 4.700 -1.124 13 HG2 MET 3 HG2 MET 3 1.332 2.658 -2.321 14 HG3 MET 3 HG3 MET 3 2.532 1.834 -1.328 15 HE1 MET 3 HE1 MET 3 -1.602 1.632 -1.247 16 HE2 MET 3 HE2 MET 3 -1.571 3.265 -0.581 17 HE3 MET 3 HE3 MET 3 -0.712 2.908 -2.079 18 H ILE 4 H ILE 4 4.857 5.604 -3.590 19 HA ILE 4 HA ILE 4 4.933 8.096 -2.142 20 HB ILE 4 HB ILE 4 5.751 7.598 -5.004 21 HG12 ILE 4 HG12 ILE 4 6.928 6.054 -3.505 22 HG13 ILE 4 HG13 ILE 4 8.027 7.280 -4.129 23 HG21 ILE 4 HG21 ILE 4 6.029 9.853 -3.099 24 HG22 ILE 4 HG22 ILE 4 7.383 9.521 -4.178 25 HG23 ILE 4 HG23 ILE 4 5.788 9.867 -4.846 26 HD11 ILE 4 HD11 ILE 4 6.913 8.208 -1.681 27 HD12 ILE 4 HD12 ILE 4 7.538 6.574 -1.452 28 HD13 ILE 4 HD13 ILE 4 8.593 7.843 -2.073 29 H THR 5 H THR 5 3.856 9.981 -2.622 30 HA THR 5 HA THR 5 1.710 9.791 -4.633 31 HB THR 5 HB THR 5 0.627 11.545 -2.904 32 HG1 THR 5 HG1 THR 5 0.998 10.584 -0.773 33 HG21 THR 5 HG21 THR 5 -0.961 9.985 -2.963 34 HG22 THR 5 HG22 THR 5 -0.009 8.937 -1.912 35 HG23 THR 5 HG23 THR 5 0.202 8.859 -3.661 36 HA PRO 6 HA PRO 6 3.057 13.623 -6.296 37 HB2 PRO 6 HB2 PRO 6 0.711 14.823 -6.948 38 HB3 PRO 6 HB3 PRO 6 1.359 13.439 -7.835 39 HG2 PRO 6 HG2 PRO 6 -0.749 13.509 -5.711 40 HG3 PRO 6 HG3 PRO 6 -0.721 12.594 -7.230 41 HD2 PRO 6 HD2 PRO 6 -0.114 11.472 -4.841 42 HD3 PRO 6 HD3 PRO 6 0.642 10.951 -6.361 43 H SER 7 H SER 7 2.674 16.058 -6.168 44 HA SER 7 HA SER 7 1.741 16.889 -3.513 45 HB2 SER 7 HB2 SER 7 4.244 16.531 -3.513 46 HB3 SER 7 HB3 SER 7 4.360 17.842 -4.687 47 HG SER 7 HG SER 7 4.365 19.097 -3.011 48 H CYS 8 H CYS 8 0.418 17.177 -5.980 49 HA CYS 8 HA CYS 8 0.332 20.099 -6.148 50 HB2 CYS 8 HB2 CYS 8 1.629 18.774 -8.090 51 HB3 CYS 8 HB3 CYS 8 -0.013 18.636 -8.710 52 H GLN 9 H GLN 9 -1.670 20.874 -7.225 53 HA GLN 9 HA GLN 9 -3.882 18.951 -7.051 54 HB2 GLN 9 HB2 GLN 9 -3.614 21.578 -5.629 55 HB3 GLN 9 HB3 GLN 9 -5.205 20.971 -6.068 56 HG2 GLN 9 HG2 GLN 9 -4.433 18.807 -4.872 57 HG3 GLN 9 HG3 GLN 9 -3.226 19.857 -4.132 58 HE21 GLN 9 HE22 GLN 9 -6.283 18.620 -3.843 59 HE22 GLN 9 HE21 GLN 9 -6.928 19.739 -2.696 60 H LYS 10 H LYS 10 -5.961 20.018 -7.936 61 HA LYS 10 HA LYS 10 -7.086 20.892 -9.710 62 HB2 LYS 10 HB2 LYS 10 -4.766 22.784 -10.079 63 HB3 LYS 10 HB3 LYS 10 -6.442 23.027 -10.556 64 HG2 LYS 10 HG2 LYS 10 -6.860 22.764 -7.968 65 HG3 LYS 10 HG3 LYS 10 -5.172 23.271 -7.882 66 HD2 LYS 10 HD2 LYS 10 -7.072 24.805 -9.599 67 HD3 LYS 10 HD3 LYS 10 -7.102 25.045 -7.850 68 HE2 LYS 10 HE2 LYS 10 -5.338 26.383 -7.999 69 HE3 LYS 10 HE3 LYS 10 -4.392 25.070 -8.699 70 HZ1 LYS 10 HZ1 LYS 10 -5.903 27.195 -10.075 71 HZ2 LYS 10 HZ2 LYS 10 -5.561 25.741 -10.868 72 HZ3 LYS 10 HZ3 LYS 10 -4.298 26.713 -10.303 73 H GLY 11 H GLY 11 -6.351 21.838 -12.165 74 HA2 GLY 11 HA2 GLY 11 -5.770 19.538 -13.610 75 HA3 GLY 11 HA3 GLY 11 -5.619 21.173 -14.237 76 H TYR 12 H TYR 12 -3.600 21.714 -12.033 77 HA TYR 12 HA TYR 12 -1.286 21.186 -13.578 78 HB2 TYR 12 HB2 TYR 12 -1.715 22.236 -10.789 79 HB3 TYR 12 HB3 TYR 12 -0.099 21.974 -11.436 80 HD1 TYR 12 HD2 TYR 12 -3.286 23.520 -12.653 81 HD2 TYR 12 HD1 TYR 12 0.930 23.879 -12.206 82 HE1 TYR 12 HE2 TYR 12 -3.366 25.730 -13.730 83 HE2 TYR 12 HE1 TYR 12 0.862 26.090 -13.281 84 HH TYR 12 HH TYR 12 -2.123 27.718 -13.947 85 H PHE 13 H PHE 13 0.610 19.982 -12.875 86 HA PHE 13 HA PHE 13 0.136 17.817 -10.983 87 HB2 PHE 13 HB2 PHE 13 0.309 16.069 -12.456 88 HB3 PHE 13 HB3 PHE 13 -0.459 17.248 -13.514 89 HD1 PHE 13 HD1 PHE 13 1.286 18.833 -14.765 90 HD2 PHE 13 HD2 PHE 13 2.118 14.933 -13.276 91 HE1 PHE 13 HE1 PHE 13 3.158 18.632 -16.348 92 HE2 PHE 13 HE2 PHE 13 3.992 14.726 -14.856 93 HZ PHE 13 HZ PHE 13 4.515 16.577 -16.395 94 HA PRO 14 HA PRO 14 4.364 18.440 -9.982 95 HB2 PRO 14 HB2 PRO 14 5.054 15.965 -9.105 96 HB3 PRO 14 HB3 PRO 14 4.013 17.055 -8.183 97 HG2 PRO 14 HG2 PRO 14 3.260 14.749 -9.937 98 HG3 PRO 14 HG3 PRO 14 2.615 15.204 -8.349 99 HD2 PRO 14 HD2 PRO 14 1.326 15.774 -10.661 100 HD3 PRO 14 HD3 PRO 14 1.234 16.824 -9.232 101 H CYS 15 H CYS 15 6.361 18.317 -10.899 102 HA CYS 15 HA CYS 15 6.587 17.115 -13.480 103 HB2 CYS 15 HB2 CYS 15 8.148 18.951 -11.820 104 HB3 CYS 15 HB3 CYS 15 9.148 17.856 -12.768 105 H GLY 16 H GLY 16 6.157 14.885 -12.791 106 HA2 GLY 16 HA2 GLY 16 6.856 12.739 -12.375 107 HA3 GLY 16 HA3 GLY 16 8.468 13.316 -12.768 108 H ASN 17 H ASN 17 9.922 13.716 -11.152 109 HA ASN 17 HA ASN 17 9.049 12.944 -8.451 110 HB2 ASN 17 HB2 ASN 17 11.115 11.940 -9.995 111 HB3 ASN 17 HB3 ASN 17 11.935 13.045 -8.897 112 HD21 ASN 17 HD21 ASN 17 11.817 10.060 -9.129 113 HD22 ASN 17 HD22 ASN 17 11.408 9.518 -7.540 114 H LEU 18 H LEU 18 10.312 15.509 -10.341 115 HA LEU 18 HA LEU 18 11.657 16.995 -8.368 116 HB2 LEU 18 HB2 LEU 18 10.446 17.571 -11.014 117 HB3 LEU 18 HB3 LEU 18 10.792 18.943 -9.963 118 HG LEU 18 HG LEU 18 12.807 16.917 -10.933 119 HD11 LEU 18 HD11 LEU 18 12.098 19.692 -11.823 120 HD12 LEU 18 HD12 LEU 18 12.274 18.228 -12.791 121 HD13 LEU 18 HD13 LEU 18 13.699 19.007 -12.103 122 HD21 LEU 18 HD21 LEU 18 12.853 18.757 -8.744 123 HD22 LEU 18 HD22 LEU 18 14.019 19.268 -9.965 124 HD23 LEU 18 HD23 LEU 18 14.107 17.641 -9.287 125 H THR 19 H THR 19 10.743 19.353 -7.901 126 HA THR 19 HA THR 19 8.145 18.935 -6.585 127 HB THR 19 HB THR 19 10.039 19.454 -5.081 128 HG1 THR 19 HG1 THR 19 8.403 20.275 -4.019 129 HG21 THR 19 HG21 THR 19 10.666 21.357 -7.068 130 HG22 THR 19 HG22 THR 19 11.528 21.040 -5.562 131 HG23 THR 19 HG23 THR 19 10.256 22.260 -5.611 132 H LYS 20 H LYS 20 8.766 19.864 -9.411 133 HA LYS 20 HA LYS 20 7.674 22.572 -9.367 134 HB2 LYS 20 HB2 LYS 20 9.588 22.093 -10.841 135 HB3 LYS 20 HB3 LYS 20 8.629 20.886 -11.689 136 HG2 LYS 20 HG2 LYS 20 7.279 22.480 -12.697 137 HG3 LYS 20 HG3 LYS 20 7.698 23.723 -11.515 138 HD2 LYS 20 HD2 LYS 20 9.896 23.950 -12.436 139 HD3 LYS 20 HD3 LYS 20 9.658 22.549 -13.483 140 HE2 LYS 20 HE2 LYS 20 9.358 24.408 -14.883 141 HE3 LYS 20 HE3 LYS 20 7.726 23.853 -14.511 142 HZ1 LYS 20 HZ1 LYS 20 7.532 25.581 -12.856 143 HZ2 LYS 20 HZ2 LYS 20 7.942 26.267 -14.347 144 HZ3 LYS 20 HZ3 LYS 20 9.119 26.093 -13.145 145 H CYS 21 H CYS 21 5.814 23.148 -10.612 146 HA CYS 21 HA CYS 21 3.982 20.906 -11.151 147 HB2 CYS 21 HB2 CYS 21 3.578 23.353 -9.505 148 HB3 CYS 21 HB3 CYS 21 2.219 22.799 -10.478 149 H LEU 22 H LEU 22 3.240 20.872 -13.162 150 HA LEU 22 HA LEU 22 3.554 23.267 -14.820 151 HB2 LEU 22 HB2 LEU 22 3.364 20.342 -15.377 152 HB3 LEU 22 HB3 LEU 22 2.919 21.490 -16.638 153 HG LEU 22 HG LEU 22 5.554 21.883 -15.342 154 HD11 LEU 22 HD11 LEU 22 5.274 19.390 -15.702 155 HD12 LEU 22 HD12 LEU 22 6.651 20.152 -16.498 156 HD13 LEU 22 HD13 LEU 22 5.207 19.748 -17.428 157 HD21 LEU 22 HD21 LEU 22 6.176 22.425 -17.659 158 HD22 LEU 22 HD22 LEU 22 4.800 23.375 -17.097 159 HD23 LEU 22 HD23 LEU 22 4.545 22.007 -18.182 160 HA PRO 23 HA PRO 23 -0.746 24.071 -15.168 161 HB2 PRO 23 HB2 PRO 23 -0.966 24.839 -17.762 162 HB3 PRO 23 HB3 PRO 23 -0.198 25.842 -16.526 163 HG2 PRO 23 HG2 PRO 23 1.065 24.055 -18.568 164 HG3 PRO 23 HG3 PRO 23 1.543 25.685 -18.058 165 HD2 PRO 23 HD2 PRO 23 2.784 23.454 -17.156 166 HD3 PRO 23 HD3 PRO 23 2.610 24.916 -16.165 167 H ARG 24 H ARG 24 -2.737 23.525 -16.417 168 HA ARG 24 HA ARG 24 -2.822 20.710 -16.920 169 HB2 ARG 24 HB2 ARG 24 -5.179 20.975 -17.135 170 HB3 ARG 24 HB3 ARG 24 -4.663 22.059 -15.850 171 HG2 ARG 24 HG2 ARG 24 -5.918 23.562 -16.931 172 HG3 ARG 24 HG3 ARG 24 -4.519 23.703 -17.997 173 HD2 ARG 24 HD2 ARG 24 -6.095 23.305 -19.579 174 HD3 ARG 24 HD3 ARG 24 -5.721 21.632 -19.169 175 HE ARG 24 HE ARG 24 -7.767 22.511 -17.481 176 HH11 ARG 24 HH11 ARG 24 -7.226 21.831 -20.852 177 HH12 ARG 24 HH12 ARG 24 -8.873 21.394 -21.162 178 HH21 ARG 24 HH21 ARG 24 -9.939 21.938 -17.877 179 HH22 ARG 24 HH22 ARG 24 -10.416 21.456 -19.470 180 H ALA 25 H ALA 25 -2.499 23.548 -18.865 181 HA ALA 25 HA ALA 25 -3.411 22.455 -21.325 182 HB1 ALA 25 HB1 ALA 25 -1.478 24.729 -20.896 183 HB2 ALA 25 HB2 ALA 25 -2.400 24.388 -22.361 184 HB3 ALA 25 HB3 ALA 25 -3.236 24.878 -20.887 185 H PHE 26 H PHE 26 -0.636 21.903 -19.474 186 HA PHE 26 HA PHE 26 1.389 21.549 -21.324 187 HB2 PHE 26 HB2 PHE 26 2.530 20.409 -19.673 188 HB3 PHE 26 HB3 PHE 26 1.322 21.250 -18.706 189 HD1 PHE 26 HD2 PHE 26 -0.970 19.869 -18.490 190 HD2 PHE 26 HD1 PHE 26 2.881 18.201 -19.200 191 HE1 PHE 26 HE2 PHE 26 -1.738 17.718 -17.577 192 HE2 PHE 26 HE1 PHE 26 2.119 16.046 -18.289 193 HZ PHE 26 HZ PHE 26 -0.193 15.803 -17.475 194 H HIS 27 H HIS 27 -1.456 19.656 -20.799 195 HA HIS 27 HA HIS 27 -0.698 17.189 -21.840 196 HB2 HIS 27 HB2 HIS 27 -2.828 17.366 -20.795 197 HB3 HIS 27 HB3 HIS 27 -3.338 18.648 -21.889 198 HD1 HIS 27 HD1 HIS 27 -2.785 14.929 -21.772 199 HD2 HIS 27 HD2 HIS 27 -4.448 17.797 -24.275 200 HE1 HIS 27 HE1 HIS 27 -4.015 13.640 -23.546 201 H CYS 28 H CYS 28 0.531 17.139 -23.648 202 HA CYS 28 HA CYS 28 1.165 17.370 -25.826 203 HB2 CYS 28 HB2 CYS 28 -1.839 17.235 -26.116 204 HB3 CYS 28 HB3 CYS 28 -0.734 17.186 -27.486 205 H ASP 29 H ASP 29 2.039 19.480 -25.488 206 HA ASP 29 HA ASP 29 0.363 21.703 -26.421 207 HB2 ASP 29 HB2 ASP 29 2.132 23.161 -25.480 208 HB3 ASP 29 HB3 ASP 29 1.434 22.084 -24.273 209 H GLY 30 H GLY 30 3.558 20.227 -26.921 210 HA2 GLY 30 HA2 GLY 30 3.743 20.131 -29.577 211 HA3 GLY 30 HA3 GLY 30 3.987 21.850 -29.301 212 H LYS 31 H LYS 31 5.303 21.079 -26.656 213 HA LYS 31 HA LYS 31 7.710 19.710 -27.440 214 HB2 LYS 31 HB2 LYS 31 9.217 21.616 -27.004 215 HB3 LYS 31 HB3 LYS 31 8.184 21.889 -28.401 216 HG2 LYS 31 HG2 LYS 31 6.728 23.310 -27.072 217 HG3 LYS 31 HG3 LYS 31 7.718 23.006 -25.642 218 HD2 LYS 31 HD2 LYS 31 9.190 23.984 -27.992 219 HD3 LYS 31 HD3 LYS 31 8.031 25.126 -27.308 220 HE2 LYS 31 HE2 LYS 31 9.074 24.977 -25.150 221 HE3 LYS 31 HE3 LYS 31 10.131 23.677 -25.701 222 HZ1 LYS 31 HZ1 LYS 31 11.124 25.255 -27.279 223 HZ2 LYS 31 HZ2 LYS 31 11.331 25.741 -25.673 224 HZ3 LYS 31 HZ3 LYS 31 10.166 26.494 -26.641 225 H ASP 32 H ASP 32 9.419 20.070 -25.568 226 HA ASP 32 HA ASP 32 8.319 18.990 -23.241 227 HB2 ASP 32 HB2 ASP 32 10.949 20.452 -23.560 228 HB3 ASP 32 HB3 ASP 32 10.520 19.395 -22.218 229 H ASP 33 H ASP 33 7.765 19.825 -21.260 230 HA ASP 33 HA ASP 33 7.541 22.761 -21.120 231 HB2 ASP 33 HB2 ASP 33 5.729 20.853 -19.654 232 HB3 ASP 33 HB3 ASP 33 5.476 22.563 -19.994 233 H CYS 34 H CYS 34 8.449 19.825 -19.487 234 HA CYS 34 HA CYS 34 9.008 21.222 -16.994 235 HB2 CYS 34 HB2 CYS 34 8.020 18.862 -17.150 236 HB3 CYS 34 HB3 CYS 34 9.638 18.339 -17.604 237 H GLY 35 H GLY 35 10.898 18.981 -19.036 238 HA2 GLY 35 HA2 GLY 35 12.995 19.780 -20.025 239 HA3 GLY 35 HA3 GLY 35 13.242 20.713 -18.556 240 H ASN 36 H ASN 36 11.998 18.008 -17.371 241 HA ASN 36 HA ASN 36 14.646 16.833 -16.922 242 HB2 ASN 36 HB2 ASN 36 13.841 15.983 -14.885 243 HB3 ASN 36 HB3 ASN 36 13.093 17.573 -15.005 244 HD21 ASN 36 HD21 ASN 36 12.391 14.875 -13.739 245 HD22 ASN 36 HD22 ASN 36 10.742 14.637 -14.195 246 H GLY 37 H GLY 37 11.561 16.201 -18.355 247 HA2 GLY 37 HA2 GLY 37 11.377 14.517 -20.061 248 HA3 GLY 37 HA3 GLY 37 12.545 13.549 -19.174 249 H ALA 38 H ALA 38 9.521 15.163 -18.207 250 HA ALA 38 HA ALA 38 8.435 12.530 -17.481 251 HB1 ALA 38 HB1 ALA 38 9.357 14.332 -15.613 252 HB2 ALA 38 HB2 ALA 38 7.618 14.631 -15.645 253 HB3 ALA 38 HB3 ALA 38 8.228 13.010 -15.313 254 H ASP 39 H ASP 39 7.654 15.989 -17.817 255 HA ASP 39 HA ASP 39 4.880 15.651 -18.126 256 HB2 ASP 39 HB2 ASP 39 4.806 17.926 -18.756 257 HB3 ASP 39 HB3 ASP 39 6.168 17.807 -17.645 258 H GLU 40 H GLU 40 7.525 15.274 -20.333 259 HA GLU 40 HA GLU 40 6.297 15.623 -22.791 260 HB2 GLU 40 HB2 GLU 40 8.491 13.780 -21.878 261 HB3 GLU 40 HB3 GLU 40 7.941 13.781 -23.548 262 HG2 GLU 40 HG2 GLU 40 8.912 16.241 -22.120 263 HG3 GLU 40 HG3 GLU 40 9.954 15.188 -23.076 264 H GLU 41 H GLU 41 6.126 12.913 -20.567 265 HA GLU 41 HA GLU 41 4.990 10.998 -22.251 266 HB2 GLU 41 HB2 GLU 41 4.422 11.387 -19.308 267 HB3 GLU 41 HB3 GLU 41 4.195 9.907 -20.228 268 HG2 GLU 41 HG2 GLU 41 6.836 11.255 -19.713 269 HG3 GLU 41 HG3 GLU 41 6.216 9.844 -18.858 270 H ASN 42 H ASN 42 2.620 10.153 -21.524 271 HA ASN 42 HA ASN 42 0.377 10.432 -21.773 272 HB2 ASN 42 HB2 ASN 42 1.206 12.507 -20.053 273 HB3 ASN 42 HB3 ASN 42 0.102 13.245 -21.210 274 HD21 ASN 42 HD21 ASN 42 0.298 10.145 -19.487 275 HD22 ASN 42 HD22 ASN 42 -1.327 10.177 -18.901 276 H CYS 43 H CYS 43 2.388 11.214 -23.897 277 HA CYS 43 HA CYS 43 0.442 12.257 -25.767 278 HB2 CYS 43 HB2 CYS 43 1.827 14.184 -24.589 279 HB3 CYS 43 HB3 CYS 43 3.053 13.707 -25.760 280 H GLY 44 H GLY 44 2.079 9.815 -25.281 281 HA2 GLY 44 HA2 GLY 44 2.861 8.216 -26.781 282 HA3 GLY 44 HA3 GLY 44 2.933 9.456 -28.024 Start of MODEL 2 1 H1 GLY 1 H GLY 1 6.330 -1.926 -1.817 2 HA2 GLY 1 HA2 GLY 1 7.603 -2.152 -3.873 3 HA3 GLY 1 HA3 GLY 1 6.111 -1.877 -4.760 4 H SER 2 H SER 2 6.627 -0.094 -5.913 5 HA SER 2 HA SER 2 7.152 2.348 -4.368 6 HB2 SER 2 HB2 SER 2 8.440 2.468 -6.956 7 HB3 SER 2 HB3 SER 2 9.127 2.742 -5.356 8 HG SER 2 HG SER 2 10.043 0.871 -5.521 9 H MET 3 H MET 3 5.461 3.626 -4.685 10 HA MET 3 HA MET 3 4.402 3.895 -7.416 11 HB2 MET 3 HB2 MET 3 2.960 3.278 -4.897 12 HB3 MET 3 HB3 MET 3 2.188 4.419 -5.990 13 HG2 MET 3 HG2 MET 3 2.222 2.795 -7.773 14 HG3 MET 3 HG3 MET 3 3.111 1.661 -6.759 15 HE1 MET 3 HE1 MET 3 1.540 0.183 -7.739 16 HE2 MET 3 HE2 MET 3 0.522 -0.545 -6.496 17 HE3 MET 3 HE3 MET 3 -0.209 0.411 -7.786 18 H ILE 4 H ILE 4 2.953 5.928 -7.541 19 HA ILE 4 HA ILE 4 3.724 8.080 -5.767 20 HB ILE 4 HB ILE 4 5.612 8.093 -7.293 21 HG12 ILE 4 HG12 ILE 4 3.797 10.356 -8.118 22 HG13 ILE 4 HG13 ILE 4 4.481 10.245 -6.500 23 HG21 ILE 4 HG21 ILE 4 5.291 8.496 -9.701 24 HG22 ILE 4 HG22 ILE 4 4.616 6.953 -9.181 25 HG23 ILE 4 HG23 ILE 4 3.549 8.325 -9.480 26 HD11 ILE 4 HD11 ILE 4 5.635 11.611 -8.458 27 HD12 ILE 4 HD12 ILE 4 6.560 10.797 -7.196 28 HD13 ILE 4 HD13 ILE 4 6.358 10.034 -8.773 29 H THR 5 H THR 5 2.323 9.808 -5.825 30 HA THR 5 HA THR 5 0.136 9.679 -7.793 31 HB THR 5 HB THR 5 -1.108 10.741 -5.605 32 HG1 THR 5 HG1 THR 5 0.475 10.241 -4.132 33 HG21 THR 5 HG21 THR 5 -1.713 8.090 -5.351 34 HG22 THR 5 HG22 THR 5 -1.067 8.157 -6.991 35 HG23 THR 5 HG23 THR 5 -2.431 9.179 -6.537 36 HA PRO 6 HA PRO 6 0.668 13.989 -8.424 37 HB2 PRO 6 HB2 PRO 6 -1.888 14.841 -8.763 38 HB3 PRO 6 HB3 PRO 6 -1.030 13.873 -9.968 39 HG2 PRO 6 HG2 PRO 6 -3.020 13.004 -7.908 40 HG3 PRO 6 HG3 PRO 6 -2.887 12.520 -9.609 41 HD2 PRO 6 HD2 PRO 6 -1.978 10.975 -7.579 42 HD3 PRO 6 HD3 PRO 6 -1.204 11.006 -9.176 43 H SER 7 H SER 7 1.293 15.359 -6.883 44 HA SER 7 HA SER 7 -0.414 15.738 -4.525 45 HB2 SER 7 HB2 SER 7 2.050 15.070 -4.313 46 HB3 SER 7 HB3 SER 7 2.425 16.713 -4.832 47 HG SER 7 HG SER 7 1.624 17.501 -2.992 48 H CYS 8 H CYS 8 -1.049 16.964 -7.054 49 HA CYS 8 HA CYS 8 -0.844 19.788 -6.253 50 HB2 CYS 8 HB2 CYS 8 0.252 18.615 -8.590 51 HB3 CYS 8 HB3 CYS 8 -1.130 19.581 -9.098 52 H GLN 9 H GLN 9 -2.504 21.103 -7.664 53 HA GLN 9 HA GLN 9 -4.986 19.596 -8.024 54 HB2 GLN 9 HB2 GLN 9 -6.263 21.247 -6.728 55 HB3 GLN 9 HB3 GLN 9 -5.078 20.416 -5.729 56 HG2 GLN 9 HG2 GLN 9 -3.666 22.295 -5.657 57 HG3 GLN 9 HG3 GLN 9 -4.534 23.093 -6.967 58 HE21 GLN 9 HE22 GLN 9 -4.577 22.243 -3.594 59 HE22 GLN 9 HE21 GLN 9 -5.844 23.323 -3.131 60 H LYS 10 H LYS 10 -6.755 21.348 -8.741 61 HA LYS 10 HA LYS 10 -7.474 22.741 -10.389 62 HB2 LYS 10 HB2 LYS 10 -5.839 24.284 -9.125 63 HB3 LYS 10 HB3 LYS 10 -4.734 23.982 -10.460 64 HG2 LYS 10 HG2 LYS 10 -6.160 25.023 -12.014 65 HG3 LYS 10 HG3 LYS 10 -7.519 25.016 -10.888 66 HD2 LYS 10 HD2 LYS 10 -6.650 27.244 -10.986 67 HD3 LYS 10 HD3 LYS 10 -6.210 26.558 -9.420 68 HE2 LYS 10 HE2 LYS 10 -3.985 25.967 -10.410 69 HE3 LYS 10 HE3 LYS 10 -4.447 26.883 -11.843 70 HZ1 LYS 10 HZ1 LYS 10 -3.210 28.347 -10.519 71 HZ2 LYS 10 HZ2 LYS 10 -4.005 27.894 -9.097 72 HZ3 LYS 10 HZ3 LYS 10 -4.819 28.803 -10.268 73 H GLY 11 H GLY 11 -5.944 20.211 -10.942 74 HA2 GLY 11 HA2 GLY 11 -5.770 19.092 -13.000 75 HA3 GLY 11 HA3 GLY 11 -5.710 20.647 -13.816 76 H TYR 12 H TYR 12 -3.607 21.332 -11.619 77 HA TYR 12 HA TYR 12 -1.344 20.890 -13.260 78 HB2 TYR 12 HB2 TYR 12 -1.693 21.887 -10.441 79 HB3 TYR 12 HB3 TYR 12 -0.095 21.672 -11.147 80 HD1 TYR 12 HD2 TYR 12 -3.360 23.166 -12.216 81 HD2 TYR 12 HD1 TYR 12 0.864 23.605 -11.940 82 HE1 TYR 12 HE2 TYR 12 -3.528 25.387 -13.258 83 HE2 TYR 12 HE1 TYR 12 0.706 25.828 -12.980 84 HH TYR 12 HH TYR 12 -0.679 27.202 -14.188 85 H PHE 13 H PHE 13 0.614 19.732 -12.650 86 HA PHE 13 HA PHE 13 0.279 17.524 -10.780 87 HB2 PHE 13 HB2 PHE 13 0.466 15.801 -12.290 88 HB3 PHE 13 HB3 PHE 13 -0.419 16.962 -13.274 89 HD1 PHE 13 HD1 PHE 13 1.154 18.641 -14.610 90 HD2 PHE 13 HD2 PHE 13 2.287 14.778 -13.227 91 HE1 PHE 13 HE1 PHE 13 2.932 18.558 -16.309 92 HE2 PHE 13 HE2 PHE 13 4.068 14.690 -14.922 93 HZ PHE 13 HZ PHE 13 4.393 16.582 -16.466 94 HA PRO 14 HA PRO 14 4.513 18.351 -9.942 95 HB2 PRO 14 HB2 PRO 14 5.264 15.952 -8.917 96 HB3 PRO 14 HB3 PRO 14 4.237 17.092 -8.040 97 HG2 PRO 14 HG2 PRO 14 3.462 14.660 -9.605 98 HG3 PRO 14 HG3 PRO 14 2.861 15.217 -8.032 99 HD2 PRO 14 HD2 PRO 14 1.493 15.609 -10.336 100 HD3 PRO 14 HD3 PRO 14 1.431 16.755 -8.982 101 H CYS 15 H CYS 15 6.481 18.189 -10.914 102 HA CYS 15 HA CYS 15 6.706 17.068 -13.459 103 HB2 CYS 15 HB2 CYS 15 8.429 18.493 -11.603 104 HB3 CYS 15 HB3 CYS 15 9.321 17.278 -12.512 105 H GLY 16 H GLY 16 8.873 15.633 -13.842 106 HA2 GLY 16 HA2 GLY 16 8.185 13.018 -13.277 107 HA3 GLY 16 HA3 GLY 16 9.807 13.538 -13.708 108 H ASN 17 H ASN 17 10.993 14.640 -11.794 109 HA ASN 17 HA ASN 17 10.389 13.216 -9.295 110 HB2 ASN 17 HB2 ASN 17 12.469 12.513 -10.972 111 HB3 ASN 17 HB3 ASN 17 13.251 13.562 -9.793 112 HD21 ASN 17 HD21 ASN 17 13.747 12.761 -7.860 113 HD22 ASN 17 HD22 ASN 17 13.263 11.210 -7.272 114 H LEU 18 H LEU 18 10.540 16.104 -10.645 115 HA LEU 18 HA LEU 18 12.112 17.461 -8.603 116 HB2 LEU 18 HB2 LEU 18 10.875 18.216 -11.192 117 HB3 LEU 18 HB3 LEU 18 11.077 19.485 -9.986 118 HG LEU 18 HG LEU 18 13.297 17.779 -11.113 119 HD11 LEU 18 HD11 LEU 18 13.594 20.532 -11.699 120 HD12 LEU 18 HD12 LEU 18 11.970 20.050 -12.189 121 HD13 LEU 18 HD13 LEU 18 13.373 19.187 -12.820 122 HD21 LEU 18 HD21 LEU 18 13.823 18.458 -8.877 123 HD22 LEU 18 HD22 LEU 18 13.299 20.111 -9.203 124 HD23 LEU 18 HD23 LEU 18 14.740 19.469 -9.993 125 H THR 19 H THR 19 10.966 19.646 -7.887 126 HA THR 19 HA THR 19 8.422 18.825 -6.665 127 HB THR 19 HB THR 19 10.273 19.422 -5.115 128 HG1 THR 19 HG1 THR 19 7.873 19.899 -4.797 129 HG21 THR 19 HG21 THR 19 11.485 21.283 -5.343 130 HG22 THR 19 HG22 THR 19 10.037 22.287 -5.419 131 HG23 THR 19 HG23 THR 19 10.672 21.541 -6.885 132 H LYS 20 H LYS 20 8.892 20.054 -9.386 133 HA LYS 20 HA LYS 20 7.454 22.588 -9.079 134 HB2 LYS 20 HB2 LYS 20 9.357 22.800 -10.492 135 HB3 LYS 20 HB3 LYS 20 8.944 21.343 -11.386 136 HG2 LYS 20 HG2 LYS 20 7.061 22.433 -12.401 137 HG3 LYS 20 HG3 LYS 20 7.301 23.867 -11.400 138 HD2 LYS 20 HD2 LYS 20 9.493 24.217 -12.460 139 HD3 LYS 20 HD3 LYS 20 9.212 22.806 -13.483 140 HE2 LYS 20 HE2 LYS 20 8.589 24.569 -14.855 141 HE3 LYS 20 HE3 LYS 20 7.049 24.037 -14.181 142 HZ1 LYS 20 HZ1 LYS 20 7.405 26.487 -14.176 143 HZ2 LYS 20 HZ2 LYS 20 8.646 26.265 -13.049 144 HZ3 LYS 20 HZ3 LYS 20 7.058 25.834 -12.654 145 H CYS 21 H CYS 21 5.502 22.999 -10.132 146 HA CYS 21 HA CYS 21 4.069 20.598 -11.064 147 HB2 CYS 21 HB2 CYS 21 3.334 22.702 -9.146 148 HB3 CYS 21 HB3 CYS 21 2.085 22.337 -10.332 149 H LEU 22 H LEU 22 3.199 20.649 -13.041 150 HA LEU 22 HA LEU 22 3.410 23.144 -14.562 151 HB2 LEU 22 HB2 LEU 22 3.258 20.252 -15.314 152 HB3 LEU 22 HB3 LEU 22 2.875 21.503 -16.494 153 HG LEU 22 HG LEU 22 5.417 21.993 -15.186 154 HD11 LEU 22 HD11 LEU 22 5.039 19.355 -15.341 155 HD12 LEU 22 HD12 LEU 22 6.605 20.117 -15.620 156 HD13 LEU 22 HD13 LEU 22 5.593 19.657 -16.988 157 HD21 LEU 22 HD21 LEU 22 6.160 22.211 -17.498 158 HD22 LEU 22 HD22 LEU 22 4.655 23.092 -17.232 159 HD23 LEU 22 HD23 LEU 22 4.632 21.535 -18.062 160 HA PRO 23 HA PRO 23 -0.919 23.807 -14.833 161 HB2 PRO 23 HB2 PRO 23 -1.186 24.723 -17.375 162 HB3 PRO 23 HB3 PRO 23 -0.447 25.677 -16.083 163 HG2 PRO 23 HG2 PRO 23 0.867 24.066 -18.237 164 HG3 PRO 23 HG3 PRO 23 1.288 25.678 -17.631 165 HD2 PRO 23 HD2 PRO 23 2.617 23.444 -16.873 166 HD3 PRO 23 HD3 PRO 23 2.396 24.836 -15.794 167 H ARG 24 H ARG 24 -2.886 23.319 -16.209 168 HA ARG 24 HA ARG 24 -2.918 20.521 -16.803 169 HB2 ARG 24 HB2 ARG 24 -5.279 20.800 -17.175 170 HB3 ARG 24 HB3 ARG 24 -4.824 21.741 -15.761 171 HG2 ARG 24 HG2 ARG 24 -6.063 23.323 -16.765 172 HG3 ARG 24 HG3 ARG 24 -4.569 23.623 -17.656 173 HD2 ARG 24 HD2 ARG 24 -5.787 23.307 -19.501 174 HD3 ARG 24 HD3 ARG 24 -5.746 21.594 -19.088 175 HE ARG 24 HE ARG 24 -7.969 21.709 -18.571 176 HH11 ARG 24 HH11 ARG 24 -6.659 24.934 -18.652 177 HH12 ARG 24 HH12 ARG 24 -8.200 25.704 -18.472 178 HH21 ARG 24 HH21 ARG 24 -10.004 22.712 -18.335 179 HH22 ARG 24 HH22 ARG 24 -10.102 24.440 -18.291 180 H ALA 25 H ALA 25 -2.567 23.427 -18.647 181 HA ALA 25 HA ALA 25 -3.372 22.425 -21.172 182 HB1 ALA 25 HB1 ALA 25 -1.809 24.780 -20.234 183 HB2 ALA 25 HB2 ALA 25 -1.773 24.357 -21.946 184 HB3 ALA 25 HB3 ALA 25 -3.309 24.717 -21.158 185 H PHE 26 H PHE 26 -0.680 21.759 -19.239 186 HA PHE 26 HA PHE 26 1.420 21.444 -20.998 187 HB2 PHE 26 HB2 PHE 26 2.431 20.102 -19.385 188 HB3 PHE 26 HB3 PHE 26 1.280 21.033 -18.432 189 HD1 PHE 26 HD1 PHE 26 -1.160 19.848 -18.392 190 HD2 PHE 26 HD2 PHE 26 2.586 17.884 -18.865 191 HE1 PHE 26 HE1 PHE 26 -2.152 17.761 -17.546 192 HE2 PHE 26 HE2 PHE 26 1.601 15.793 -18.021 193 HZ PHE 26 HZ PHE 26 -0.771 15.730 -17.362 194 H HIS 27 H HIS 27 -1.469 19.548 -20.684 195 HA HIS 27 HA HIS 27 -0.686 17.156 -21.872 196 HB2 HIS 27 HB2 HIS 27 -2.836 17.251 -20.866 197 HB3 HIS 27 HB3 HIS 27 -3.324 18.617 -21.864 198 HD1 HIS 27 HD1 HIS 27 -2.613 14.913 -22.149 199 HD2 HIS 27 HD2 HIS 27 -4.559 17.948 -24.213 200 HE1 HIS 27 HE1 HIS 27 -3.855 13.769 -24.013 201 H CYS 28 H CYS 28 0.503 17.120 -23.686 202 HA CYS 28 HA CYS 28 1.174 17.467 -25.836 203 HB2 CYS 28 HB2 CYS 28 -1.817 17.384 -26.021 204 HB3 CYS 28 HB3 CYS 28 -0.863 17.717 -27.462 205 H ASP 29 H ASP 29 2.246 19.432 -25.516 206 HA ASP 29 HA ASP 29 0.732 21.839 -26.287 207 HB2 ASP 29 HB2 ASP 29 2.272 23.156 -25.029 208 HB3 ASP 29 HB3 ASP 29 1.814 21.801 -24.001 209 H GLY 30 H GLY 30 3.695 20.002 -26.817 210 HA2 GLY 30 HA2 GLY 30 4.079 20.151 -29.415 211 HA3 GLY 30 HA3 GLY 30 4.476 21.808 -28.983 212 H LYS 31 H LYS 31 5.751 21.254 -26.505 213 HA LYS 31 HA LYS 31 7.979 19.493 -27.180 214 HB2 LYS 31 HB2 LYS 31 9.654 21.202 -26.732 215 HB3 LYS 31 HB3 LYS 31 8.614 21.702 -28.060 216 HG2 LYS 31 HG2 LYS 31 7.434 23.229 -26.656 217 HG3 LYS 31 HG3 LYS 31 8.251 22.615 -25.216 218 HD2 LYS 31 HD2 LYS 31 9.831 23.763 -27.487 219 HD3 LYS 31 HD3 LYS 31 9.073 24.825 -26.299 220 HE2 LYS 31 HE2 LYS 31 10.228 23.324 -24.550 221 HE3 LYS 31 HE3 LYS 31 11.221 22.771 -25.897 222 HZ1 LYS 31 HZ1 LYS 31 12.074 24.917 -26.225 223 HZ2 LYS 31 HZ2 LYS 31 12.117 24.686 -24.550 224 HZ3 LYS 31 HZ3 LYS 31 10.903 25.640 -25.241 225 H ASP 32 H ASP 32 9.699 20.033 -25.174 226 HA ASP 32 HA ASP 32 8.387 18.902 -22.914 227 HB2 ASP 32 HB2 ASP 32 10.560 18.944 -21.850 228 HB3 ASP 32 HB3 ASP 32 10.754 18.432 -23.525 229 H ASP 33 H ASP 33 7.667 19.819 -21.072 230 HA ASP 33 HA ASP 33 7.927 22.746 -20.841 231 HB2 ASP 33 HB2 ASP 33 5.662 21.041 -19.789 232 HB3 ASP 33 HB3 ASP 33 5.749 22.801 -19.794 233 H CYS 34 H CYS 34 8.345 19.692 -19.306 234 HA CYS 34 HA CYS 34 8.597 20.782 -16.639 235 HB2 CYS 34 HB2 CYS 34 7.711 18.536 -16.885 236 HB3 CYS 34 HB3 CYS 34 9.157 18.024 -17.748 237 H GLY 35 H GLY 35 10.856 18.872 -18.642 238 HA2 GLY 35 HA2 GLY 35 12.989 20.257 -19.105 239 HA3 GLY 35 HA3 GLY 35 13.070 20.315 -17.351 240 H ASN 36 H ASN 36 12.032 17.586 -17.054 241 HA ASN 36 HA ASN 36 14.546 16.195 -17.589 242 HB2 ASN 36 HB2 ASN 36 13.479 14.440 -16.052 243 HB3 ASN 36 HB3 ASN 36 13.924 15.981 -15.324 244 HD21 ASN 36 HD21 ASN 36 12.483 16.106 -13.712 245 HD22 ASN 36 HD22 ASN 36 10.768 16.126 -13.926 246 H GLY 37 H GLY 37 11.237 16.261 -18.581 247 HA2 GLY 37 HA2 GLY 37 10.706 15.291 -20.744 248 HA3 GLY 37 HA3 GLY 37 11.773 13.953 -20.341 249 H ALA 38 H ALA 38 9.766 15.085 -17.808 250 HA ALA 38 HA ALA 38 8.325 12.580 -17.786 251 HB1 ALA 38 HB1 ALA 38 9.275 13.901 -15.763 252 HB2 ALA 38 HB2 ALA 38 7.773 14.819 -15.886 253 HB3 ALA 38 HB3 ALA 38 7.722 13.078 -15.612 254 H ASP 39 H ASP 39 7.435 16.030 -17.892 255 HA ASP 39 HA ASP 39 4.680 15.660 -18.212 256 HB2 ASP 39 HB2 ASP 39 4.564 17.951 -18.775 257 HB3 ASP 39 HB3 ASP 39 5.942 17.819 -17.685 258 H GLU 40 H GLU 40 7.299 15.429 -20.481 259 HA GLU 40 HA GLU 40 5.934 15.783 -22.889 260 HB2 GLU 40 HB2 GLU 40 8.348 14.149 -22.144 261 HB3 GLU 40 HB3 GLU 40 7.732 14.177 -23.791 262 HG2 GLU 40 HG2 GLU 40 8.574 16.613 -22.239 263 HG3 GLU 40 HG3 GLU 40 9.589 15.755 -23.397 264 H GLU 41 H GLU 41 5.889 13.163 -20.633 265 HA GLU 41 HA GLU 41 4.828 11.222 -22.472 266 HB2 GLU 41 HB2 GLU 41 4.708 11.077 -19.465 267 HB3 GLU 41 HB3 GLU 41 4.704 9.747 -20.615 268 HG2 GLU 41 HG2 GLU 41 7.072 11.124 -21.112 269 HG3 GLU 41 HG3 GLU 41 6.920 11.082 -19.357 270 H ASN 42 H ASN 42 2.770 10.031 -21.161 271 HA ASN 42 HA ASN 42 0.515 10.088 -20.872 272 HB2 ASN 42 HB2 ASN 42 0.801 12.996 -20.119 273 HB3 ASN 42 HB3 ASN 42 -0.441 11.859 -19.602 274 HD21 ASN 42 HD21 ASN 42 2.424 13.338 -18.787 275 HD22 ASN 42 HD22 ASN 42 2.887 12.320 -17.470 276 H CYS 43 H CYS 43 1.864 11.013 -23.401 277 HA CYS 43 HA CYS 43 -0.552 11.890 -24.729 278 HB2 CYS 43 HB2 CYS 43 1.509 13.766 -24.046 279 HB3 CYS 43 HB3 CYS 43 1.446 13.589 -25.797 280 H GLY 44 H GLY 44 1.425 9.617 -24.660 281 HA2 GLY 44 HA2 GLY 44 2.918 9.594 -27.056 282 HA3 GLY 44 HA3 GLY 44 2.424 8.176 -26.142 Start of MODEL 3 1 H1 GLY 1 H GLY 1 11.218 0.483 -2.192 2 HA2 GLY 1 HA2 GLY 1 8.497 -0.254 -2.798 3 HA3 GLY 1 HA3 GLY 1 8.881 -0.342 -1.086 4 H SER 2 H SER 2 7.836 1.642 -3.582 5 HA SER 2 HA SER 2 8.028 3.985 -1.833 6 HB2 SER 2 HB2 SER 2 8.362 5.265 -4.136 7 HB3 SER 2 HB3 SER 2 9.738 4.631 -3.234 8 HG SER 2 HG SER 2 8.825 3.939 -5.687 9 H MET 3 H MET 3 5.886 4.040 -1.342 10 HA MET 3 HA MET 3 4.051 4.519 -3.592 11 HB2 MET 3 HB2 MET 3 3.964 2.261 -2.053 12 HB3 MET 3 HB3 MET 3 2.843 3.311 -1.197 13 HG2 MET 3 HG2 MET 3 2.681 2.716 -4.140 14 HG3 MET 3 HG3 MET 3 1.792 1.837 -2.898 15 HE1 MET 3 HE1 MET 3 0.481 5.142 -5.273 16 HE2 MET 3 HE2 MET 3 1.866 5.846 -4.439 17 HE3 MET 3 HE3 MET 3 2.040 4.317 -5.301 18 H ILE 4 H ILE 4 3.724 6.660 -3.439 19 HA ILE 4 HA ILE 4 2.600 7.673 -0.928 20 HB ILE 4 HB ILE 4 3.858 9.806 -1.229 21 HG12 ILE 4 HG12 ILE 4 5.892 8.409 -2.882 22 HG13 ILE 4 HG13 ILE 4 4.435 8.948 -3.709 23 HG21 ILE 4 HG21 ILE 4 4.677 7.404 -0.071 24 HG22 ILE 4 HG22 ILE 4 6.105 8.037 -0.889 25 HG23 ILE 4 HG23 ILE 4 5.263 9.024 0.305 26 HD11 ILE 4 HD11 ILE 4 6.168 10.614 -3.883 27 HD12 ILE 4 HD12 ILE 4 4.843 11.225 -2.893 28 HD13 ILE 4 HD13 ILE 4 6.330 10.667 -2.128 29 H THR 5 H THR 5 1.947 10.145 -1.452 30 HA THR 5 HA THR 5 0.302 9.988 -3.890 31 HB THR 5 HB THR 5 -0.908 11.956 -2.520 32 HG1 THR 5 HG1 THR 5 0.375 11.845 -0.686 33 HG21 THR 5 HG21 THR 5 -1.324 8.993 -2.104 34 HG22 THR 5 HG22 THR 5 -2.029 9.985 -3.381 35 HG23 THR 5 HG23 THR 5 -2.497 10.247 -1.701 36 HA PRO 6 HA PRO 6 2.187 13.553 -5.619 37 HB2 PRO 6 HB2 PRO 6 0.074 14.835 -6.742 38 HB3 PRO 6 HB3 PRO 6 0.745 13.335 -7.394 39 HG2 PRO 6 HG2 PRO 6 -1.660 13.738 -5.657 40 HG3 PRO 6 HG3 PRO 6 -1.465 12.685 -7.070 41 HD2 PRO 6 HD2 PRO 6 -1.331 11.755 -4.531 42 HD3 PRO 6 HD3 PRO 6 -0.388 11.047 -5.858 43 H SER 7 H SER 7 2.770 15.593 -5.062 44 HA SER 7 HA SER 7 1.313 16.823 -2.838 45 HB2 SER 7 HB2 SER 7 3.832 16.324 -2.751 46 HB3 SER 7 HB3 SER 7 4.017 17.678 -3.865 47 HG SER 7 HG SER 7 4.086 18.007 -1.421 48 H CYS 8 H CYS 8 -0.098 17.166 -5.060 49 HA CYS 8 HA CYS 8 0.054 20.026 -5.480 50 HB2 CYS 8 HB2 CYS 8 1.387 18.545 -7.307 51 HB3 CYS 8 HB3 CYS 8 -0.222 18.530 -8.020 52 H GLN 9 H GLN 9 -1.846 20.815 -6.756 53 HA GLN 9 HA GLN 9 -4.138 18.987 -6.631 54 HB2 GLN 9 HB2 GLN 9 -3.895 21.684 -5.325 55 HB3 GLN 9 HB3 GLN 9 -5.464 21.028 -5.772 56 HG2 GLN 9 HG2 GLN 9 -3.603 19.378 -4.132 57 HG3 GLN 9 HG3 GLN 9 -4.513 20.683 -3.372 58 HE21 GLN 9 HE22 GLN 9 -5.994 19.629 -2.213 59 HE22 GLN 9 HE21 GLN 9 -7.127 18.490 -2.846 60 H LYS 10 H LYS 10 -6.144 20.295 -7.575 61 HA LYS 10 HA LYS 10 -7.127 21.184 -9.424 62 HB2 LYS 10 HB2 LYS 10 -4.580 22.725 -9.897 63 HB3 LYS 10 HB3 LYS 10 -6.213 23.159 -10.383 64 HG2 LYS 10 HG2 LYS 10 -6.834 23.530 -8.071 65 HG3 LYS 10 HG3 LYS 10 -5.231 23.020 -7.540 66 HD2 LYS 10 HD2 LYS 10 -5.178 25.376 -7.526 67 HD3 LYS 10 HD3 LYS 10 -4.317 24.896 -8.990 68 HE2 LYS 10 HE2 LYS 10 -5.894 25.763 -10.358 69 HE3 LYS 10 HE3 LYS 10 -7.220 25.314 -9.286 70 HZ1 LYS 10 HZ1 LYS 10 -6.378 27.177 -7.807 71 HZ2 LYS 10 HZ2 LYS 10 -7.158 27.632 -9.237 72 HZ3 LYS 10 HZ3 LYS 10 -5.471 27.693 -9.138 73 H GLY 11 H GLY 11 -6.390 21.776 -11.926 74 HA2 GLY 11 HA2 GLY 11 -5.924 19.278 -13.109 75 HA3 GLY 11 HA3 GLY 11 -5.843 20.824 -13.940 76 H TYR 12 H TYR 12 -3.703 21.529 -11.813 77 HA TYR 12 HA TYR 12 -1.469 21.017 -13.461 78 HB2 TYR 12 HB2 TYR 12 -1.770 22.050 -10.651 79 HB3 TYR 12 HB3 TYR 12 -0.182 21.793 -11.365 80 HD1 TYR 12 HD1 TYR 12 -3.422 23.344 -12.426 81 HD2 TYR 12 HD2 TYR 12 0.812 23.692 -12.194 82 HE1 TYR 12 HE1 TYR 12 -3.552 25.556 -13.492 83 HE2 TYR 12 HE2 TYR 12 0.694 25.906 -13.258 84 HH TYR 12 HH TYR 12 -1.456 27.786 -13.363 85 H PHE 13 H PHE 13 0.484 19.841 -12.848 86 HA PHE 13 HA PHE 13 0.103 17.630 -10.981 87 HB2 PHE 13 HB2 PHE 13 0.313 15.920 -12.500 88 HB3 PHE 13 HB3 PHE 13 -0.535 17.095 -13.500 89 HD1 PHE 13 HD2 PHE 13 1.016 18.719 -14.857 90 HD2 PHE 13 HD1 PHE 13 2.223 14.940 -13.316 91 HE1 PHE 13 HE2 PHE 13 2.840 18.633 -16.506 92 HE2 PHE 13 HE1 PHE 13 4.050 14.848 -14.961 93 HZ PHE 13 HZ PHE 13 4.360 16.696 -16.560 94 HA PRO 14 HA PRO 14 4.320 18.428 -10.036 95 HB2 PRO 14 HB2 PRO 14 5.036 16.015 -9.018 96 HB3 PRO 14 HB3 PRO 14 3.993 17.151 -8.154 97 HG2 PRO 14 HG2 PRO 14 3.245 14.739 -9.761 98 HG3 PRO 14 HG3 PRO 14 2.610 15.283 -8.198 99 HD2 PRO 14 HD2 PRO 14 1.298 15.703 -10.529 100 HD3 PRO 14 HD3 PRO 14 1.209 16.837 -9.165 101 H CYS 15 H CYS 15 6.286 18.300 -10.998 102 HA CYS 15 HA CYS 15 6.564 17.166 -13.533 103 HB2 CYS 15 HB2 CYS 15 8.211 18.666 -11.689 104 HB3 CYS 15 HB3 CYS 15 9.160 17.425 -12.501 105 H GLY 16 H GLY 16 8.775 15.771 -13.862 106 HA2 GLY 16 HA2 GLY 16 8.121 13.146 -13.309 107 HA3 GLY 16 HA3 GLY 16 9.745 13.695 -13.694 108 H ASN 17 H ASN 17 10.843 14.835 -11.743 109 HA ASN 17 HA ASN 17 10.185 13.425 -9.252 110 HB2 ASN 17 HB2 ASN 17 12.411 12.853 -10.908 111 HB3 ASN 17 HB3 ASN 17 13.033 13.685 -9.486 112 HD21 ASN 17 HD21 ASN 17 12.928 12.706 -7.503 113 HD22 ASN 17 HD22 ASN 17 12.480 11.050 -7.292 114 H LEU 18 H LEU 18 10.367 16.292 -10.622 115 HA LEU 18 HA LEU 18 11.918 17.670 -8.579 116 HB2 LEU 18 HB2 LEU 18 10.700 18.400 -11.184 117 HB3 LEU 18 HB3 LEU 18 10.898 19.680 -9.989 118 HG LEU 18 HG LEU 18 13.131 17.953 -11.054 119 HD11 LEU 18 HD11 LEU 18 13.382 20.700 -11.740 120 HD12 LEU 18 HD12 LEU 18 11.794 20.136 -12.260 121 HD13 LEU 18 HD13 LEU 18 13.248 19.301 -12.806 122 HD21 LEU 18 HD21 LEU 18 13.043 19.310 -8.694 123 HD22 LEU 18 HD22 LEU 18 13.718 20.525 -9.780 124 HD23 LEU 18 HD23 LEU 18 14.512 18.960 -9.604 125 H THR 19 H THR 19 10.763 19.864 -7.899 126 HA THR 19 HA THR 19 8.220 19.050 -6.673 127 HB THR 19 HB THR 19 10.065 19.703 -5.137 128 HG1 THR 19 HG1 THR 19 8.448 20.287 -3.916 129 HG21 THR 19 HG21 THR 19 9.649 22.545 -5.987 130 HG22 THR 19 HG22 THR 19 10.847 21.540 -6.801 131 HG23 THR 19 HG23 THR 19 10.977 21.838 -5.068 132 H LYS 20 H LYS 20 8.737 20.261 -9.418 133 HA LYS 20 HA LYS 20 7.208 22.749 -9.160 134 HB2 LYS 20 HB2 LYS 20 9.151 23.041 -10.498 135 HB3 LYS 20 HB3 LYS 20 8.835 21.570 -11.407 136 HG2 LYS 20 HG2 LYS 20 6.921 22.593 -12.469 137 HG3 LYS 20 HG3 LYS 20 7.128 24.050 -11.494 138 HD2 LYS 20 HD2 LYS 20 9.346 24.386 -12.522 139 HD3 LYS 20 HD3 LYS 20 9.071 22.968 -13.536 140 HE2 LYS 20 HE2 LYS 20 8.217 24.405 -15.021 141 HE3 LYS 20 HE3 LYS 20 6.808 24.457 -13.963 142 HZ1 LYS 20 HZ1 LYS 20 8.189 26.611 -14.697 143 HZ2 LYS 20 HZ2 LYS 20 8.979 26.242 -13.248 144 HZ3 LYS 20 HZ3 LYS 20 7.310 26.515 -13.255 145 H CYS 21 H CYS 21 5.284 23.093 -10.288 146 HA CYS 21 HA CYS 21 3.987 20.649 -11.304 147 HB2 CYS 21 HB2 CYS 21 3.022 22.780 -9.465 148 HB3 CYS 21 HB3 CYS 21 1.859 22.111 -10.606 149 H LEU 22 H LEU 22 3.086 20.722 -13.279 150 HA LEU 22 HA LEU 22 3.297 23.241 -14.759 151 HB2 LEU 22 HB2 LEU 22 3.143 20.361 -15.570 152 HB3 LEU 22 HB3 LEU 22 2.809 21.647 -16.728 153 HG LEU 22 HG LEU 22 5.319 22.091 -15.358 154 HD11 LEU 22 HD11 LEU 22 5.541 19.756 -17.151 155 HD12 LEU 22 HD12 LEU 22 4.910 19.450 -15.533 156 HD13 LEU 22 HD13 LEU 22 6.494 20.199 -15.735 157 HD21 LEU 22 HD21 LEU 22 6.123 22.217 -17.691 158 HD22 LEU 22 HD22 LEU 22 4.702 23.220 -17.399 159 HD23 LEU 22 HD23 LEU 22 4.536 21.679 -18.242 160 HA PRO 23 HA PRO 23 -1.034 23.883 -15.051 161 HB2 PRO 23 HB2 PRO 23 -1.282 24.856 -17.574 162 HB3 PRO 23 HB3 PRO 23 -0.562 25.784 -16.253 163 HG2 PRO 23 HG2 PRO 23 0.784 24.232 -18.430 164 HG3 PRO 23 HG3 PRO 23 1.188 25.833 -17.783 165 HD2 PRO 23 HD2 PRO 23 2.525 23.590 -17.063 166 HD3 PRO 23 HD3 PRO 23 2.284 24.956 -15.954 167 H ARG 24 H ARG 24 -2.979 23.428 -16.485 168 HA ARG 24 HA ARG 24 -3.000 20.640 -17.123 169 HB2 ARG 24 HB2 ARG 24 -5.362 20.968 -17.613 170 HB3 ARG 24 HB3 ARG 24 -4.938 21.764 -16.104 171 HG2 ARG 24 HG2 ARG 24 -6.105 23.465 -16.988 172 HG3 ARG 24 HG3 ARG 24 -4.587 23.803 -17.822 173 HD2 ARG 24 HD2 ARG 24 -6.321 23.858 -19.452 174 HD3 ARG 24 HD3 ARG 24 -5.408 22.371 -19.705 175 HE ARG 24 HE ARG 24 -7.637 21.929 -18.003 176 HH11 ARG 24 HH11 ARG 24 -6.748 22.409 -21.334 177 HH12 ARG 24 HH12 ARG 24 -8.106 21.532 -21.959 178 HH21 ARG 24 HH21 ARG 24 -9.429 20.773 -18.813 179 HH22 ARG 24 HH22 ARG 24 -9.631 20.603 -20.524 180 H ALA 25 H ALA 25 -2.598 23.572 -18.912 181 HA ALA 25 HA ALA 25 -3.359 22.632 -21.470 182 HB1 ALA 25 HB1 ALA 25 -1.242 24.708 -21.143 183 HB2 ALA 25 HB2 ALA 25 -2.579 24.633 -22.292 184 HB3 ALA 25 HB3 ALA 25 -2.887 25.052 -20.607 185 H PHE 26 H PHE 26 -0.720 21.872 -19.497 186 HA PHE 26 HA PHE 26 1.391 21.530 -21.254 187 HB2 PHE 26 HB2 PHE 26 2.387 20.205 -19.621 188 HB3 PHE 26 HB3 PHE 26 1.239 21.152 -18.680 189 HD1 PHE 26 HD1 PHE 26 -1.224 19.964 -18.695 190 HD2 PHE 26 HD2 PHE 26 2.542 18.008 -19.021 191 HE1 PHE 26 HE1 PHE 26 -2.230 17.890 -17.834 192 HE2 PHE 26 HE2 PHE 26 1.542 15.931 -18.161 193 HZ PHE 26 HZ PHE 26 -0.847 15.870 -17.567 194 H HIS 27 H HIS 27 -1.552 19.746 -20.988 195 HA HIS 27 HA HIS 27 -0.836 17.290 -22.085 196 HB2 HIS 27 HB2 HIS 27 -3.021 17.524 -21.170 197 HB3 HIS 27 HB3 HIS 27 -3.401 18.872 -22.238 198 HD1 HIS 27 HD1 HIS 27 -5.163 18.088 -23.780 199 HD2 HIS 27 HD2 HIS 27 -2.236 15.200 -23.186 200 HE1 HIS 27 HE1 HIS 27 -5.785 16.179 -25.295 201 H CYS 28 H CYS 28 0.475 17.215 -23.823 202 HA CYS 28 HA CYS 28 1.187 17.375 -25.977 203 HB2 CYS 28 HB2 CYS 28 -1.779 17.616 -26.223 204 HB3 CYS 28 HB3 CYS 28 -0.794 17.947 -27.644 205 H ASP 29 H ASP 29 2.544 19.104 -25.932 206 HA ASP 29 HA ASP 29 1.375 21.717 -26.638 207 HB2 ASP 29 HB2 ASP 29 4.008 21.400 -25.213 208 HB3 ASP 29 HB3 ASP 29 2.987 22.831 -25.331 209 H GLY 30 H GLY 30 4.211 19.611 -26.987 210 HA2 GLY 30 HA2 GLY 30 4.780 19.372 -29.468 211 HA3 GLY 30 HA3 GLY 30 4.944 21.121 -29.412 212 H LYS 31 H LYS 31 6.037 20.717 -26.569 213 HA LYS 31 HA LYS 31 8.616 19.492 -27.114 214 HB2 LYS 31 HB2 LYS 31 9.863 21.516 -26.422 215 HB3 LYS 31 HB3 LYS 31 8.981 21.743 -27.926 216 HG2 LYS 31 HG2 LYS 31 7.172 22.848 -26.599 217 HG3 LYS 31 HG3 LYS 31 8.244 22.776 -25.199 218 HD2 LYS 31 HD2 LYS 31 9.706 23.858 -27.385 219 HD3 LYS 31 HD3 LYS 31 8.167 24.715 -27.274 220 HE2 LYS 31 HE2 LYS 31 10.076 24.278 -24.979 221 HE3 LYS 31 HE3 LYS 31 9.967 25.757 -25.932 222 HZ1 LYS 31 HZ1 LYS 31 8.553 26.338 -24.299 223 HZ2 LYS 31 HZ2 LYS 31 8.184 24.742 -23.876 224 HZ3 LYS 31 HZ3 LYS 31 7.430 25.459 -25.210 225 H ASP 32 H ASP 32 10.074 20.106 -25.016 226 HA ASP 32 HA ASP 32 8.662 18.890 -22.830 227 HB2 ASP 32 HB2 ASP 32 11.414 20.065 -22.591 228 HB3 ASP 32 HB3 ASP 32 10.744 18.640 -21.802 229 H ASP 33 H ASP 33 7.641 19.880 -21.223 230 HA ASP 33 HA ASP 33 8.043 22.775 -20.890 231 HB2 ASP 33 HB2 ASP 33 5.697 21.071 -20.026 232 HB3 ASP 33 HB3 ASP 33 5.814 22.823 -19.885 233 H CYS 34 H CYS 34 8.309 19.711 -19.328 234 HA CYS 34 HA CYS 34 8.431 20.780 -16.652 235 HB2 CYS 34 HB2 CYS 34 7.582 18.546 -16.906 236 HB3 CYS 34 HB3 CYS 34 9.020 18.042 -17.788 237 H GLY 35 H GLY 35 10.828 18.801 -18.397 238 HA2 GLY 35 HA2 GLY 35 12.974 20.256 -18.766 239 HA3 GLY 35 HA3 GLY 35 12.947 20.275 -17.008 240 H ASN 36 H ASN 36 11.847 17.501 -16.961 241 HA ASN 36 HA ASN 36 14.409 16.133 -17.388 242 HB2 ASN 36 HB2 ASN 36 13.313 14.372 -15.870 243 HB3 ASN 36 HB3 ASN 36 13.777 15.902 -15.132 244 HD21 ASN 36 HD21 ASN 36 12.340 16.218 -13.575 245 HD22 ASN 36 HD22 ASN 36 10.624 16.194 -13.774 246 H GLY 37 H GLY 37 11.077 16.168 -18.351 247 HA2 GLY 37 HA2 GLY 37 10.545 15.225 -20.529 248 HA3 GLY 37 HA3 GLY 37 11.638 13.901 -20.156 249 H ALA 38 H ALA 38 9.325 15.217 -17.873 250 HA ALA 38 HA ALA 38 7.991 12.606 -17.822 251 HB1 ALA 38 HB1 ALA 38 8.999 13.756 -15.742 252 HB2 ALA 38 HB2 ALA 38 7.551 14.762 -15.793 253 HB3 ALA 38 HB3 ALA 38 7.405 13.013 -15.615 254 H ASP 39 H ASP 39 7.380 16.039 -18.257 255 HA ASP 39 HA ASP 39 4.537 15.813 -18.342 256 HB2 ASP 39 HB2 ASP 39 4.519 18.105 -18.951 257 HB3 ASP 39 HB3 ASP 39 5.878 17.917 -17.846 258 H GLU 40 H GLU 40 7.090 15.383 -20.640 259 HA GLU 40 HA GLU 40 5.710 15.806 -23.035 260 HB2 GLU 40 HB2 GLU 40 8.000 13.963 -22.355 261 HB3 GLU 40 HB3 GLU 40 7.397 14.171 -23.993 262 HG2 GLU 40 HG2 GLU 40 8.326 16.480 -22.318 263 HG3 GLU 40 HG3 GLU 40 9.421 15.537 -23.327 264 H GLU 41 H GLU 41 5.566 13.206 -20.755 265 HA GLU 41 HA GLU 41 4.489 11.219 -22.468 266 HB2 GLU 41 HB2 GLU 41 3.989 11.433 -19.503 267 HB3 GLU 41 HB3 GLU 41 4.013 9.980 -20.493 268 HG2 GLU 41 HG2 GLU 41 6.339 11.683 -19.655 269 HG3 GLU 41 HG3 GLU 41 6.016 10.000 -19.243 270 H ASN 42 H ASN 42 2.203 10.300 -21.322 271 HA ASN 42 HA ASN 42 -0.061 10.513 -21.342 272 HB2 ASN 42 HB2 ASN 42 0.201 13.479 -20.948 273 HB3 ASN 42 HB3 ASN 42 -1.023 12.382 -20.316 274 HD21 ASN 42 HD21 ASN 42 0.110 10.530 -18.969 275 HD22 ASN 42 HD22 ASN 42 1.181 11.117 -17.747 276 H CYS 43 H CYS 43 1.752 11.234 -23.725 277 HA CYS 43 HA CYS 43 -0.428 11.915 -25.500 278 HB2 CYS 43 HB2 CYS 43 1.751 13.811 -24.839 279 HB3 CYS 43 HB3 CYS 43 1.356 13.649 -26.547 280 H GLY 44 H GLY 44 1.597 9.746 -24.905 281 HA2 GLY 44 HA2 GLY 44 2.268 9.233 -27.697 282 HA3 GLY 44 HA3 GLY 44 3.617 9.311 -26.574 Start of MODEL 4 1 H1 GLY 1 H GLY 1 5.682 1.447 -12.874 2 HA2 GLY 1 HA2 GLY 1 6.888 4.110 -12.638 3 HA3 GLY 1 HA3 GLY 1 6.160 3.432 -14.086 4 H SER 2 H SER 2 4.501 3.134 -11.062 5 HA SER 2 HA SER 2 2.336 4.766 -12.097 6 HB2 SER 2 HB2 SER 2 2.195 3.558 -9.378 7 HB3 SER 2 HB3 SER 2 0.960 3.653 -10.633 8 HG SER 2 HG SER 2 1.487 1.662 -11.023 9 H MET 3 H MET 3 1.239 6.333 -10.659 10 HA MET 3 HA MET 3 3.229 7.884 -9.143 11 HB2 MET 3 HB2 MET 3 1.673 9.822 -9.571 12 HB3 MET 3 HB3 MET 3 2.460 9.161 -10.999 13 HG2 MET 3 HG2 MET 3 -0.052 7.846 -10.538 14 HG3 MET 3 HG3 MET 3 -0.266 9.594 -10.598 15 HE1 MET 3 HE1 MET 3 -0.531 7.104 -14.104 16 HE2 MET 3 HE2 MET 3 -0.186 6.447 -12.505 17 HE3 MET 3 HE3 MET 3 -1.570 7.517 -12.740 18 H ILE 4 H ILE 4 3.018 7.724 -7.017 19 HA ILE 4 HA ILE 4 0.304 7.635 -5.877 20 HB ILE 4 HB ILE 4 1.323 5.407 -5.710 21 HG12 ILE 4 HG12 ILE 4 1.090 5.138 -3.248 22 HG13 ILE 4 HG13 ILE 4 1.107 6.890 -3.081 23 HG21 ILE 4 HG21 ILE 4 3.411 4.993 -4.978 24 HG22 ILE 4 HG22 ILE 4 3.684 6.681 -5.406 25 HG23 ILE 4 HG23 ILE 4 3.336 6.241 -3.735 26 HD11 ILE 4 HD11 ILE 4 -1.035 7.079 -3.677 27 HD12 ILE 4 HD12 ILE 4 -0.886 5.886 -4.967 28 HD13 ILE 4 HD13 ILE 4 -1.122 5.358 -3.301 29 H THR 5 H THR 5 -0.049 8.832 -4.047 30 HA THR 5 HA THR 5 0.233 10.520 -2.546 31 HB THR 5 HB THR 5 3.144 9.736 -2.417 32 HG1 THR 5 HG1 THR 5 2.295 8.317 -0.668 33 HG21 THR 5 HG21 THR 5 3.242 10.934 -0.512 34 HG22 THR 5 HG22 THR 5 1.642 10.410 0.015 35 HG23 THR 5 HG23 THR 5 1.802 11.734 -1.139 36 HA PRO 6 HA PRO 6 2.093 13.177 -5.896 37 HB2 PRO 6 HB2 PRO 6 -0.127 14.696 -6.267 38 HB3 PRO 6 HB3 PRO 6 0.150 13.174 -7.122 39 HG2 PRO 6 HG2 PRO 6 -1.531 13.709 -4.704 40 HG3 PRO 6 HG3 PRO 6 -1.898 12.711 -6.123 41 HD2 PRO 6 HD2 PRO 6 -1.064 11.653 -3.774 42 HD3 PRO 6 HD3 PRO 6 -0.664 10.927 -5.343 43 H SER 7 H SER 7 2.623 15.413 -5.772 44 HA SER 7 HA SER 7 2.171 16.593 -3.109 45 HB2 SER 7 HB2 SER 7 4.604 16.542 -4.871 46 HB3 SER 7 HB3 SER 7 4.385 17.840 -3.698 47 HG SER 7 HG SER 7 5.052 15.212 -3.304 48 H CYS 8 H CYS 8 0.402 16.963 -5.295 49 HA CYS 8 HA CYS 8 0.438 19.848 -5.429 50 HB2 CYS 8 HB2 CYS 8 1.357 18.247 -7.655 51 HB3 CYS 8 HB3 CYS 8 -0.081 19.159 -8.100 52 H GLN 9 H GLN 9 -1.536 20.564 -6.865 53 HA GLN 9 HA GLN 9 -3.751 18.676 -6.671 54 HB2 GLN 9 HB2 GLN 9 -5.162 20.416 -5.541 55 HB3 GLN 9 HB3 GLN 9 -3.889 19.737 -4.534 56 HG2 GLN 9 HG2 GLN 9 -2.538 21.691 -4.813 57 HG3 GLN 9 HG3 GLN 9 -3.658 22.351 -6.003 58 HE21 GLN 9 HE22 GLN 9 -6.057 22.138 -4.957 59 HE22 GLN 9 HE21 GLN 9 -6.184 22.965 -3.446 60 H LYS 10 H LYS 10 -5.851 20.008 -7.409 61 HA LYS 10 HA LYS 10 -6.944 21.005 -9.137 62 HB2 LYS 10 HB2 LYS 10 -5.022 22.826 -8.364 63 HB3 LYS 10 HB3 LYS 10 -4.729 22.666 -10.091 64 HG2 LYS 10 HG2 LYS 10 -6.770 23.546 -10.661 65 HG3 LYS 10 HG3 LYS 10 -7.517 23.087 -9.129 66 HD2 LYS 10 HD2 LYS 10 -7.298 25.406 -8.968 67 HD3 LYS 10 HD3 LYS 10 -5.909 24.791 -8.070 68 HE2 LYS 10 HE2 LYS 10 -4.409 25.387 -9.730 69 HE3 LYS 10 HE3 LYS 10 -5.649 25.409 -10.983 70 HZ1 LYS 10 HZ1 LYS 10 -6.244 27.510 -10.484 71 HZ2 LYS 10 HZ2 LYS 10 -4.665 27.605 -9.885 72 HZ3 LYS 10 HZ3 LYS 10 -5.957 27.337 -8.826 73 H GLY 11 H GLY 11 -6.404 21.730 -11.632 74 HA2 GLY 11 HA2 GLY 11 -5.989 19.342 -13.006 75 HA3 GLY 11 HA3 GLY 11 -5.916 20.941 -13.731 76 H TYR 12 H TYR 12 -3.676 21.561 -11.746 77 HA TYR 12 HA TYR 12 -1.533 21.023 -13.507 78 HB2 TYR 12 HB2 TYR 12 -1.681 22.074 -10.690 79 HB3 TYR 12 HB3 TYR 12 -0.135 21.803 -11.487 80 HD1 TYR 12 HD1 TYR 12 -3.417 23.371 -12.383 81 HD2 TYR 12 HD2 TYR 12 0.826 23.692 -12.376 82 HE1 TYR 12 HE1 TYR 12 -3.588 25.579 -13.452 83 HE2 TYR 12 HE2 TYR 12 0.666 25.901 -13.444 84 HH TYR 12 HH TYR 12 -2.488 27.336 -14.235 85 H PHE 13 H PHE 13 0.454 19.852 -12.949 86 HA PHE 13 HA PHE 13 0.100 17.622 -11.094 87 HB2 PHE 13 HB2 PHE 13 0.316 15.940 -12.640 88 HB3 PHE 13 HB3 PHE 13 -0.526 17.129 -13.628 89 HD1 PHE 13 HD1 PHE 13 1.068 18.801 -14.909 90 HD2 PHE 13 HD2 PHE 13 2.200 14.950 -13.494 91 HE1 PHE 13 HE1 PHE 13 2.905 18.744 -16.545 92 HE2 PHE 13 HE2 PHE 13 4.039 14.887 -15.127 93 HZ PHE 13 HZ PHE 13 4.394 16.786 -16.655 94 HA PRO 14 HA PRO 14 4.330 18.293 -10.139 95 HB2 PRO 14 HB2 PRO 14 5.134 15.785 -9.479 96 HB3 PRO 14 HB3 PRO 14 4.072 16.755 -8.451 97 HG2 PRO 14 HG2 PRO 14 3.370 14.569 -10.372 98 HG3 PRO 14 HG3 PRO 14 2.744 14.868 -8.740 99 HD2 PRO 14 HD2 PRO 14 1.383 15.569 -10.973 100 HD3 PRO 14 HD3 PRO 14 1.282 16.497 -9.463 101 H CYS 15 H CYS 15 6.249 18.408 -11.173 102 HA CYS 15 HA CYS 15 6.471 17.232 -13.791 103 HB2 CYS 15 HB2 CYS 15 7.257 19.490 -13.505 104 HB3 CYS 15 HB3 CYS 15 8.325 19.004 -12.192 105 H GLY 16 H GLY 16 6.595 14.999 -13.381 106 HA2 GLY 16 HA2 GLY 16 7.655 13.003 -12.974 107 HA3 GLY 16 HA3 GLY 16 9.142 13.897 -13.256 108 H ASN 17 H ASN 17 10.467 14.335 -11.576 109 HA ASN 17 HA ASN 17 9.572 13.413 -8.928 110 HB2 ASN 17 HB2 ASN 17 12.089 13.131 -10.426 111 HB3 ASN 17 HB3 ASN 17 12.296 13.574 -8.734 112 HD21 ASN 17 HD21 ASN 17 13.053 11.696 -7.946 113 HD22 ASN 17 HD22 ASN 17 12.175 10.208 -7.957 114 H LEU 18 H LEU 18 10.693 16.115 -10.725 115 HA LEU 18 HA LEU 18 11.826 17.688 -8.706 116 HB2 LEU 18 HB2 LEU 18 10.571 18.206 -11.343 117 HB3 LEU 18 HB3 LEU 18 10.775 19.578 -10.256 118 HG LEU 18 HG LEU 18 13.074 17.791 -11.000 119 HD11 LEU 18 HD11 LEU 18 13.183 18.627 -13.048 120 HD12 LEU 18 HD12 LEU 18 13.109 20.272 -12.417 121 HD13 LEU 18 HD13 LEU 18 11.620 19.404 -12.789 122 HD21 LEU 18 HD21 LEU 18 13.330 19.264 -9.053 123 HD22 LEU 18 HD22 LEU 18 12.924 20.654 -10.059 124 HD23 LEU 18 HD23 LEU 18 14.394 19.733 -10.379 125 H THR 19 H THR 19 10.679 19.921 -8.174 126 HA THR 19 HA THR 19 8.119 19.212 -6.908 127 HB THR 19 HB THR 19 9.937 19.840 -5.354 128 HG1 THR 19 HG1 THR 19 8.574 20.998 -4.121 129 HG21 THR 19 HG21 THR 19 11.220 21.659 -5.607 130 HG22 THR 19 HG22 THR 19 9.829 22.694 -5.933 131 HG23 THR 19 HG23 THR 19 10.558 21.759 -7.238 132 H LYS 20 H LYS 20 8.742 20.347 -9.682 133 HA LYS 20 HA LYS 20 7.330 22.903 -9.531 134 HB2 LYS 20 HB2 LYS 20 9.230 23.034 -10.931 135 HB3 LYS 20 HB3 LYS 20 8.859 21.504 -11.715 136 HG2 LYS 20 HG2 LYS 20 6.988 22.486 -12.862 137 HG3 LYS 20 HG3 LYS 20 7.200 24.002 -11.982 138 HD2 LYS 20 HD2 LYS 20 9.435 24.243 -13.012 139 HD3 LYS 20 HD3 LYS 20 9.136 22.775 -13.946 140 HE2 LYS 20 HE2 LYS 20 8.703 24.880 -15.201 141 HE3 LYS 20 HE3 LYS 20 7.308 23.806 -15.099 142 HZ1 LYS 20 HZ1 LYS 20 6.757 26.153 -14.691 143 HZ2 LYS 20 HZ2 LYS 20 7.759 26.147 -13.330 144 HZ3 LYS 20 HZ3 LYS 20 6.383 25.164 -13.371 145 H CYS 21 H CYS 21 5.316 23.242 -10.338 146 HA CYS 21 HA CYS 21 3.873 20.861 -11.297 147 HB2 CYS 21 HB2 CYS 21 3.283 22.605 -9.188 148 HB3 CYS 21 HB3 CYS 21 2.160 23.046 -10.470 149 H LEU 22 H LEU 22 2.991 20.877 -13.269 150 HA LEU 22 HA LEU 22 3.168 23.359 -14.825 151 HB2 LEU 22 HB2 LEU 22 3.118 20.456 -15.564 152 HB3 LEU 22 HB3 LEU 22 2.742 21.699 -16.755 153 HG LEU 22 HG LEU 22 5.242 22.215 -15.358 154 HD11 LEU 22 HD11 LEU 22 6.461 20.367 -15.806 155 HD12 LEU 22 HD12 LEU 22 5.512 19.949 -17.232 156 HD13 LEU 22 HD13 LEU 22 4.896 19.573 -15.622 157 HD21 LEU 22 HD21 LEU 22 4.504 23.364 -17.391 158 HD22 LEU 22 HD22 LEU 22 4.544 21.834 -18.269 159 HD23 LEU 22 HD23 LEU 22 6.038 22.528 -17.637 160 HA PRO 23 HA PRO 23 -1.186 23.846 -15.094 161 HB2 PRO 23 HB2 PRO 23 -1.449 24.869 -17.595 162 HB3 PRO 23 HB3 PRO 23 -0.778 25.792 -16.246 163 HG2 PRO 23 HG2 PRO 23 0.646 24.345 -18.446 164 HG3 PRO 23 HG3 PRO 23 0.983 25.944 -17.758 165 HD2 PRO 23 HD2 PRO 23 2.399 23.738 -17.078 166 HD3 PRO 23 HD3 PRO 23 2.095 25.066 -15.940 167 H ARG 24 H ARG 24 -3.096 23.364 -16.579 168 HA ARG 24 HA ARG 24 -3.012 20.589 -17.270 169 HB2 ARG 24 HB2 ARG 24 -5.378 20.855 -17.807 170 HB3 ARG 24 HB3 ARG 24 -5.004 21.607 -16.262 171 HG2 ARG 24 HG2 ARG 24 -6.190 23.318 -17.092 172 HG3 ARG 24 HG3 ARG 24 -4.684 23.711 -17.922 173 HD2 ARG 24 HD2 ARG 24 -6.395 23.773 -19.560 174 HD3 ARG 24 HD3 ARG 24 -5.493 22.282 -19.830 175 HE ARG 24 HE ARG 24 -7.570 21.579 -18.183 176 HH11 ARG 24 HH11 ARG 24 -7.257 23.051 -21.322 177 HH12 ARG 24 HH12 ARG 24 -8.759 22.421 -21.912 178 HH21 ARG 24 HH21 ARG 24 -9.550 20.744 -18.948 179 HH22 ARG 24 HH22 ARG 24 -10.063 21.109 -20.560 180 H ALA 25 H ALA 25 -2.674 23.566 -18.993 181 HA ALA 25 HA ALA 25 -3.372 22.670 -21.580 182 HB1 ALA 25 HB1 ALA 25 -1.604 24.625 -22.113 183 HB2 ALA 25 HB2 ALA 25 -3.274 24.924 -21.631 184 HB3 ALA 25 HB3 ALA 25 -1.983 25.004 -20.433 185 H PHE 26 H PHE 26 -0.747 21.911 -19.587 186 HA PHE 26 HA PHE 26 1.386 21.639 -21.337 187 HB2 PHE 26 HB2 PHE 26 2.397 20.302 -19.716 188 HB3 PHE 26 HB3 PHE 26 1.245 21.241 -18.772 189 HD1 PHE 26 HD2 PHE 26 -1.229 20.017 -18.863 190 HD2 PHE 26 HD1 PHE 26 2.581 18.128 -19.046 191 HE1 PHE 26 HE2 PHE 26 -2.223 17.936 -18.005 192 HE2 PHE 26 HE1 PHE 26 1.592 16.044 -18.190 193 HZ PHE 26 HZ PHE 26 -0.812 15.946 -17.667 194 H HIS 27 H HIS 27 -1.532 19.825 -21.140 195 HA HIS 27 HA HIS 27 -0.782 17.376 -22.223 196 HB2 HIS 27 HB2 HIS 27 -2.994 17.607 -21.375 197 HB3 HIS 27 HB3 HIS 27 -3.343 18.955 -22.453 198 HD1 HIS 27 HD1 HIS 27 -2.745 15.217 -22.582 199 HD2 HIS 27 HD2 HIS 27 -4.467 18.250 -24.840 200 HE1 HIS 27 HE1 HIS 27 -3.906 14.059 -24.488 201 H CYS 28 H CYS 28 0.559 17.275 -23.931 202 HA CYS 28 HA CYS 28 1.401 17.545 -26.031 203 HB2 CYS 28 HB2 CYS 28 -1.569 17.536 -26.452 204 HB3 CYS 28 HB3 CYS 28 -0.490 17.787 -27.820 205 H ASP 29 H ASP 29 2.490 19.497 -25.671 206 HA ASP 29 HA ASP 29 1.093 21.931 -26.554 207 HB2 ASP 29 HB2 ASP 29 2.749 23.200 -25.342 208 HB3 ASP 29 HB3 ASP 29 2.105 21.958 -24.272 209 H GLY 30 H GLY 30 4.034 20.020 -26.990 210 HA2 GLY 30 HA2 GLY 30 4.575 19.926 -29.493 211 HA3 GLY 30 HA3 GLY 30 4.701 21.672 -29.339 212 H LYS 31 H LYS 31 5.867 21.335 -26.595 213 HA LYS 31 HA LYS 31 8.478 20.180 -27.250 214 HB2 LYS 31 HB2 LYS 31 9.644 22.162 -26.398 215 HB3 LYS 31 HB3 LYS 31 8.658 22.554 -27.800 216 HG2 LYS 31 HG2 LYS 31 7.114 23.738 -26.547 217 HG3 LYS 31 HG3 LYS 31 7.578 22.944 -25.040 218 HD2 LYS 31 HD2 LYS 31 8.442 25.145 -24.922 219 HD3 LYS 31 HD3 LYS 31 9.817 24.096 -25.272 220 HE2 LYS 31 HE2 LYS 31 9.816 24.733 -27.567 221 HE3 LYS 31 HE3 LYS 31 8.270 25.564 -27.398 222 HZ1 LYS 31 HZ1 LYS 31 9.624 27.343 -27.224 223 HZ2 LYS 31 HZ2 LYS 31 10.943 26.447 -26.660 224 HZ3 LYS 31 HZ3 LYS 31 9.697 26.876 -25.599 225 H ASP 32 H ASP 32 9.936 20.483 -25.153 226 HA ASP 32 HA ASP 32 8.537 19.073 -23.071 227 HB2 ASP 32 HB2 ASP 32 10.711 18.858 -22.012 228 HB3 ASP 32 HB3 ASP 32 10.859 18.499 -23.730 229 H ASP 33 H ASP 33 7.668 19.897 -21.284 230 HA ASP 33 HA ASP 33 8.270 22.703 -20.618 231 HB2 ASP 33 HB2 ASP 33 5.766 21.252 -19.787 232 HB3 ASP 33 HB3 ASP 33 6.054 22.988 -19.864 233 H CYS 34 H CYS 34 8.489 19.491 -19.565 234 HA CYS 34 HA CYS 34 8.395 20.008 -16.740 235 HB2 CYS 34 HB2 CYS 34 7.937 17.780 -17.992 236 HB3 CYS 34 HB3 CYS 34 9.687 17.595 -17.980 237 H GLY 35 H GLY 35 11.056 18.854 -18.827 238 HA2 GLY 35 HA2 GLY 35 13.107 20.289 -18.805 239 HA3 GLY 35 HA3 GLY 35 12.910 20.328 -17.060 240 H ASN 36 H ASN 36 12.015 17.413 -17.255 241 HA ASN 36 HA ASN 36 14.711 16.257 -17.539 242 HB2 ASN 36 HB2 ASN 36 14.162 14.715 -15.717 243 HB3 ASN 36 HB3 ASN 36 14.019 16.387 -15.182 244 HD21 ASN 36 HD21 ASN 36 12.206 16.978 -14.218 245 HD22 ASN 36 HD22 ASN 36 10.730 16.080 -14.212 246 H GLY 37 H GLY 37 11.268 15.853 -18.037 247 HA2 GLY 37 HA2 GLY 37 10.731 14.689 -20.174 248 HA3 GLY 37 HA3 GLY 37 11.851 13.442 -19.645 249 H ALA 38 H ALA 38 9.151 15.182 -18.095 250 HA ALA 38 HA ALA 38 7.968 12.557 -17.464 251 HB1 ALA 38 HB1 ALA 38 7.549 13.139 -15.296 252 HB2 ALA 38 HB2 ALA 38 9.041 14.040 -15.565 253 HB3 ALA 38 HB3 ALA 38 7.485 14.865 -15.654 254 H ASP 39 H ASP 39 7.422 15.934 -18.266 255 HA ASP 39 HA ASP 39 4.561 15.700 -18.322 256 HB2 ASP 39 HB2 ASP 39 4.532 17.961 -18.999 257 HB3 ASP 39 HB3 ASP 39 5.918 17.833 -17.919 258 H GLU 40 H GLU 40 7.147 15.140 -20.543 259 HA GLU 40 HA GLU 40 5.804 15.453 -22.983 260 HB2 GLU 40 HB2 GLU 40 8.095 13.662 -22.179 261 HB3 GLU 40 HB3 GLU 40 7.517 13.787 -23.834 262 HG2 GLU 40 HG2 GLU 40 8.764 15.938 -22.151 263 HG3 GLU 40 HG3 GLU 40 9.393 15.215 -23.630 264 H GLU 41 H GLU 41 5.758 12.884 -20.627 265 HA GLU 41 HA GLU 41 4.606 10.896 -22.303 266 HB2 GLU 41 HB2 GLU 41 4.501 11.137 -19.291 267 HB3 GLU 41 HB3 GLU 41 4.146 9.691 -20.225 268 HG2 GLU 41 HG2 GLU 41 6.817 11.071 -20.225 269 HG3 GLU 41 HG3 GLU 41 6.398 9.728 -19.164 270 H ASN 42 H ASN 42 2.414 9.894 -21.257 271 HA ASN 42 HA ASN 42 0.148 10.064 -21.153 272 HB2 ASN 42 HB2 ASN 42 1.147 12.238 -19.578 273 HB3 ASN 42 HB3 ASN 42 -0.294 12.774 -20.436 274 HD21 ASN 42 HD21 ASN 42 0.893 9.995 -18.582 275 HD22 ASN 42 HD22 ASN 42 -0.587 9.711 -17.736 276 H CYS 43 H CYS 43 1.824 11.113 -23.495 277 HA CYS 43 HA CYS 43 -0.440 12.031 -25.044 278 HB2 CYS 43 HB2 CYS 43 1.450 13.903 -24.008 279 HB3 CYS 43 HB3 CYS 43 1.669 13.806 -25.752 280 H GLY 44 H GLY 44 1.532 9.773 -24.881 281 HA2 GLY 44 HA2 GLY 44 1.771 8.575 -27.093 282 HA3 GLY 44 HA3 GLY 44 2.665 10.001 -27.599 Start of MODEL 5 1 H1 GLY 1 H GLY 1 2.573 -1.033 0.205 2 HA2 GLY 1 HA2 GLY 1 1.434 -1.195 -2.339 3 HA3 GLY 1 HA3 GLY 1 0.121 -1.289 -1.175 4 H SER 2 H SER 2 -0.163 0.756 -2.716 5 HA SER 2 HA SER 2 -0.380 3.018 -2.819 6 HB2 SER 2 HB2 SER 2 -1.093 2.567 -0.400 7 HB3 SER 2 HB3 SER 2 0.516 3.123 0.060 8 HG SER 2 HG SER 2 -0.950 4.844 0.102 9 H MET 3 H MET 3 1.357 3.274 -4.259 10 HA MET 3 HA MET 3 3.847 4.258 -3.028 11 HB2 MET 3 HB2 MET 3 3.952 2.156 -4.473 12 HB3 MET 3 HB3 MET 3 3.599 3.204 -5.840 13 HG2 MET 3 HG2 MET 3 5.683 3.985 -5.930 14 HG3 MET 3 HG3 MET 3 5.788 4.170 -4.180 15 HE1 MET 3 HE1 MET 3 8.163 3.431 -5.979 16 HE2 MET 3 HE2 MET 3 8.458 3.333 -4.243 17 HE3 MET 3 HE3 MET 3 8.916 1.991 -5.293 18 H ILE 4 H ILE 4 1.451 5.818 -3.510 19 HA ILE 4 HA ILE 4 2.495 7.701 -5.524 20 HB ILE 4 HB ILE 4 0.108 8.511 -5.718 21 HG12 ILE 4 HG12 ILE 4 -0.899 5.880 -4.850 22 HG13 ILE 4 HG13 ILE 4 -0.346 6.925 -3.546 23 HG21 ILE 4 HG21 ILE 4 1.464 6.552 -7.065 24 HG22 ILE 4 HG22 ILE 4 -0.057 5.755 -6.666 25 HG23 ILE 4 HG23 ILE 4 -0.066 7.268 -7.571 26 HD11 ILE 4 HD11 ILE 4 -2.657 7.311 -3.807 27 HD12 ILE 4 HD12 ILE 4 -1.836 8.709 -4.500 28 HD13 ILE 4 HD13 ILE 4 -2.507 7.468 -5.557 29 H THR 5 H THR 5 2.626 9.842 -4.991 30 HA THR 5 HA THR 5 1.590 10.729 -2.407 31 HB THR 5 HB THR 5 3.758 11.785 -1.815 32 HG1 THR 5 HG1 THR 5 5.300 11.765 -3.252 33 HG21 THR 5 HG21 THR 5 3.012 9.497 -0.993 34 HG22 THR 5 HG22 THR 5 4.737 9.845 -0.881 35 HG23 THR 5 HG23 THR 5 4.126 8.819 -2.178 36 HA PRO 6 HA PRO 6 1.095 13.831 -5.832 37 HB2 PRO 6 HB2 PRO 6 -1.517 14.346 -5.304 38 HB3 PRO 6 HB3 PRO 6 -0.993 13.029 -6.359 39 HG2 PRO 6 HG2 PRO 6 -1.826 12.936 -3.486 40 HG3 PRO 6 HG3 PRO 6 -2.244 11.831 -4.808 41 HD2 PRO 6 HD2 PRO 6 -0.332 11.257 -2.980 42 HD3 PRO 6 HD3 PRO 6 -0.243 10.698 -4.663 43 H SER 7 H SER 7 2.279 15.474 -4.955 44 HA SER 7 HA SER 7 1.228 16.833 -2.576 45 HB2 SER 7 HB2 SER 7 3.784 16.061 -3.144 46 HB3 SER 7 HB3 SER 7 3.805 17.739 -3.685 47 HG SER 7 HG SER 7 2.774 18.142 -1.527 48 H CYS 8 H CYS 8 0.008 17.109 -5.198 49 HA CYS 8 HA CYS 8 0.247 20.020 -5.449 50 HB2 CYS 8 HB2 CYS 8 1.459 18.515 -7.290 51 HB3 CYS 8 HB3 CYS 8 -0.170 18.471 -7.958 52 H GLN 9 H GLN 9 -1.618 20.981 -6.615 53 HA GLN 9 HA GLN 9 -4.046 19.337 -6.420 54 HB2 GLN 9 HB2 GLN 9 -3.702 22.147 -5.363 55 HB3 GLN 9 HB3 GLN 9 -5.239 21.301 -5.473 56 HG2 GLN 9 HG2 GLN 9 -3.222 19.766 -4.059 57 HG3 GLN 9 HG3 GLN 9 -3.540 21.330 -3.311 58 HE21 GLN 9 HE22 GLN 9 -4.411 20.154 -1.529 59 HE22 GLN 9 HE21 GLN 9 -6.020 19.529 -1.598 60 H LYS 10 H LYS 10 -5.964 20.794 -7.344 61 HA LYS 10 HA LYS 10 -6.924 21.712 -9.190 62 HB2 LYS 10 HB2 LYS 10 -4.540 23.256 -8.725 63 HB3 LYS 10 HB3 LYS 10 -4.833 23.122 -10.454 64 HG2 LYS 10 HG2 LYS 10 -7.277 23.718 -9.061 65 HG3 LYS 10 HG3 LYS 10 -6.024 24.895 -8.662 66 HD2 LYS 10 HD2 LYS 10 -6.198 24.195 -11.510 67 HD3 LYS 10 HD3 LYS 10 -7.619 25.017 -10.861 68 HE2 LYS 10 HE2 LYS 10 -4.872 26.065 -10.301 69 HE3 LYS 10 HE3 LYS 10 -5.662 26.418 -11.836 70 HZ1 LYS 10 HZ1 LYS 10 -7.450 27.476 -10.699 71 HZ2 LYS 10 HZ2 LYS 10 -6.010 28.127 -10.095 72 HZ3 LYS 10 HZ3 LYS 10 -6.870 26.988 -9.186 73 H GLY 11 H GLY 11 -6.309 22.107 -11.728 74 HA2 GLY 11 HA2 GLY 11 -6.047 19.532 -12.809 75 HA3 GLY 11 HA3 GLY 11 -5.944 21.031 -13.721 76 H TYR 12 H TYR 12 -3.640 21.716 -11.759 77 HA TYR 12 HA TYR 12 -1.542 21.029 -13.514 78 HB2 TYR 12 HB2 TYR 12 -1.618 22.169 -10.731 79 HB3 TYR 12 HB3 TYR 12 -0.091 21.801 -11.525 80 HD1 TYR 12 HD1 TYR 12 -3.302 23.492 -12.452 81 HD2 TYR 12 HD2 TYR 12 0.951 23.613 -12.481 82 HE1 TYR 12 HE1 TYR 12 -3.378 25.671 -13.590 83 HE2 TYR 12 HE2 TYR 12 0.887 25.793 -13.618 84 HH TYR 12 HH TYR 12 -0.429 27.269 -14.696 85 H PHE 13 H PHE 13 0.404 19.795 -12.938 86 HA PHE 13 HA PHE 13 -0.038 17.620 -11.033 87 HB2 PHE 13 HB2 PHE 13 0.145 15.903 -12.547 88 HB3 PHE 13 HB3 PHE 13 -0.661 17.098 -13.558 89 HD1 PHE 13 HD2 PHE 13 0.882 18.629 -14.968 90 HD2 PHE 13 HD1 PHE 13 2.103 14.922 -13.271 91 HE1 PHE 13 HE2 PHE 13 2.722 18.493 -16.596 92 HE2 PHE 13 HE1 PHE 13 3.945 14.780 -14.895 93 HZ PHE 13 HZ PHE 13 4.256 16.567 -16.562 94 HA PRO 14 HA PRO 14 4.183 18.353 -10.040 95 HB2 PRO 14 HB2 PRO 14 4.800 15.961 -8.914 96 HB3 PRO 14 HB3 PRO 14 3.784 17.166 -8.114 97 HG2 PRO 14 HG2 PRO 14 2.978 14.717 -9.635 98 HG3 PRO 14 HG3 PRO 14 2.337 15.345 -8.106 99 HD2 PRO 14 HD2 PRO 14 1.077 15.714 -10.474 100 HD3 PRO 14 HD3 PRO 14 1.006 16.904 -9.158 101 H CYS 15 H CYS 15 6.121 18.169 -11.024 102 HA CYS 15 HA CYS 15 6.394 16.870 -13.479 103 HB2 CYS 15 HB2 CYS 15 8.119 18.389 -11.667 104 HB3 CYS 15 HB3 CYS 15 8.991 17.178 -12.601 105 H GLY 16 H GLY 16 8.559 15.426 -13.748 106 HA2 GLY 16 HA2 GLY 16 7.899 12.856 -12.991 107 HA3 GLY 16 HA3 GLY 16 9.518 13.360 -13.449 108 H ASN 17 H ASN 17 10.804 14.431 -11.685 109 HA ASN 17 HA ASN 17 10.151 13.265 -9.061 110 HB2 ASN 17 HB2 ASN 17 12.317 12.569 -10.738 111 HB3 ASN 17 HB3 ASN 17 12.995 13.507 -9.410 112 HD21 ASN 17 HD21 ASN 17 12.559 10.502 -10.338 113 HD22 ASN 17 HD22 ASN 17 12.278 9.715 -8.826 114 H LEU 18 H LEU 18 10.235 16.042 -10.567 115 HA LEU 18 HA LEU 18 11.867 17.537 -8.669 116 HB2 LEU 18 HB2 LEU 18 10.566 18.117 -11.273 117 HB3 LEU 18 HB3 LEU 18 10.799 19.463 -10.159 118 HG LEU 18 HG LEU 18 12.980 17.685 -11.252 119 HD11 LEU 18 HD11 LEU 18 11.633 19.748 -12.515 120 HD12 LEU 18 HD12 LEU 18 13.212 19.098 -12.952 121 HD13 LEU 18 HD13 LEU 18 13.100 20.505 -11.895 122 HD21 LEU 18 HD21 LEU 18 13.041 20.077 -9.421 123 HD22 LEU 18 HD22 LEU 18 14.459 19.440 -10.253 124 HD23 LEU 18 HD23 LEU 18 13.604 18.442 -9.077 125 H THR 19 H THR 19 10.727 19.766 -8.082 126 HA THR 19 HA THR 19 8.203 19.027 -6.766 127 HB THR 19 HB THR 19 10.030 19.665 -5.243 128 HG1 THR 19 HG1 THR 19 8.263 20.259 -4.215 129 HG21 THR 19 HG21 THR 19 11.191 21.228 -6.755 130 HG22 THR 19 HG22 THR 19 10.855 21.955 -5.183 131 HG23 THR 19 HG23 THR 19 9.859 22.369 -6.578 132 H LYS 20 H LYS 20 8.672 20.127 -9.553 133 HA LYS 20 HA LYS 20 7.190 22.652 -9.338 134 HB2 LYS 20 HB2 LYS 20 9.135 22.897 -10.688 135 HB3 LYS 20 HB3 LYS 20 8.795 21.415 -11.571 136 HG2 LYS 20 HG2 LYS 20 6.824 22.475 -12.571 137 HG3 LYS 20 HG3 LYS 20 7.201 23.967 -11.706 138 HD2 LYS 20 HD2 LYS 20 9.374 24.059 -12.871 139 HD3 LYS 20 HD3 LYS 20 8.930 22.609 -13.775 140 HE2 LYS 20 HE2 LYS 20 7.649 23.765 -15.196 141 HE3 LYS 20 HE3 LYS 20 6.894 24.686 -13.896 142 HZ1 LYS 20 HZ1 LYS 20 9.144 25.921 -13.861 143 HZ2 LYS 20 HZ2 LYS 20 8.017 26.299 -15.065 144 HZ3 LYS 20 HZ3 LYS 20 9.334 25.299 -15.423 145 H CYS 21 H CYS 21 5.267 22.991 -10.468 146 HA CYS 21 HA CYS 21 3.952 20.543 -11.452 147 HB2 CYS 21 HB2 CYS 21 3.006 22.675 -9.603 148 HB3 CYS 21 HB3 CYS 21 1.832 22.005 -10.732 149 H LEU 22 H LEU 22 3.045 20.614 -13.422 150 HA LEU 22 HA LEU 22 3.228 23.139 -14.898 151 HB2 LEU 22 HB2 LEU 22 3.021 20.268 -15.758 152 HB3 LEU 22 HB3 LEU 22 2.809 21.606 -16.886 153 HG LEU 22 HG LEU 22 5.276 21.850 -15.382 154 HD11 LEU 22 HD11 LEU 22 4.801 19.276 -15.610 155 HD12 LEU 22 HD12 LEU 22 6.404 19.938 -15.928 156 HD13 LEU 22 HD13 LEU 22 5.328 19.551 -17.271 157 HD21 LEU 22 HD21 LEU 22 4.937 23.138 -17.341 158 HD22 LEU 22 HD22 LEU 22 4.505 21.715 -18.289 159 HD23 LEU 22 HD23 LEU 22 6.167 21.939 -17.739 160 HA PRO 23 HA PRO 23 -1.114 23.738 -15.138 161 HB2 PRO 23 HB2 PRO 23 -1.379 24.777 -17.632 162 HB3 PRO 23 HB3 PRO 23 -0.668 25.677 -16.287 163 HG2 PRO 23 HG2 PRO 23 0.692 24.203 -18.509 164 HG3 PRO 23 HG3 PRO 23 1.078 25.790 -17.818 165 HD2 PRO 23 HD2 PRO 23 2.444 23.545 -17.164 166 HD3 PRO 23 HD3 PRO 23 2.188 24.876 -16.017 167 H ARG 24 H ARG 24 -3.044 23.340 -16.654 168 HA ARG 24 HA ARG 24 -3.065 20.557 -17.319 169 HB2 ARG 24 HB2 ARG 24 -5.409 20.898 -17.859 170 HB3 ARG 24 HB3 ARG 24 -5.021 21.697 -16.341 171 HG2 ARG 24 HG2 ARG 24 -6.164 23.396 -17.264 172 HG3 ARG 24 HG3 ARG 24 -4.619 23.732 -18.049 173 HD2 ARG 24 HD2 ARG 24 -5.663 23.542 -20.003 174 HD3 ARG 24 HD3 ARG 24 -5.852 21.823 -19.662 175 HE ARG 24 HE ARG 24 -7.930 23.133 -18.376 176 HH11 ARG 24 HH11 ARG 24 -6.801 22.653 -21.634 177 HH12 ARG 24 HH12 ARG 24 -8.381 22.758 -22.336 178 HH21 ARG 24 HH21 ARG 24 -10.016 23.273 -19.288 179 HH22 ARG 24 HH22 ARG 24 -10.209 23.111 -21.001 180 H ALA 25 H ALA 25 -2.557 23.492 -19.060 181 HA ALA 25 HA ALA 25 -3.259 22.571 -21.651 182 HB1 ALA 25 HB1 ALA 25 -1.379 24.514 -22.089 183 HB2 ALA 25 HB2 ALA 25 -3.105 24.792 -21.858 184 HB3 ALA 25 HB3 ALA 25 -1.999 24.935 -20.492 185 H PHE 26 H PHE 26 -0.671 21.830 -19.601 186 HA PHE 26 HA PHE 26 1.498 21.520 -21.287 187 HB2 PHE 26 HB2 PHE 26 2.454 20.214 -19.627 188 HB3 PHE 26 HB3 PHE 26 1.230 21.095 -18.717 189 HD1 PHE 26 HD1 PHE 26 -1.163 19.847 -18.775 190 HD2 PHE 26 HD2 PHE 26 2.642 17.983 -19.175 191 HE1 PHE 26 HE1 PHE 26 -2.130 17.717 -18.013 192 HE2 PHE 26 HE2 PHE 26 1.681 15.850 -18.415 193 HZ PHE 26 HZ PHE 26 -0.708 15.714 -17.833 194 H HIS 27 H HIS 27 -1.423 19.674 -21.108 195 HA HIS 27 HA HIS 27 -0.630 17.258 -22.239 196 HB2 HIS 27 HB2 HIS 27 -2.831 17.420 -21.347 197 HB3 HIS 27 HB3 HIS 27 -3.233 18.774 -22.399 198 HD1 HIS 27 HD1 HIS 27 -4.999 17.931 -23.914 199 HD2 HIS 27 HD2 HIS 27 -1.913 15.188 -23.451 200 HE1 HIS 27 HE1 HIS 27 -5.539 16.041 -25.483 201 H CYS 28 H CYS 28 0.739 17.300 -23.945 202 HA CYS 28 HA CYS 28 1.540 17.647 -26.050 203 HB2 CYS 28 HB2 CYS 28 -1.415 17.365 -26.414 204 HB3 CYS 28 HB3 CYS 28 -0.424 17.796 -27.804 205 H ASP 29 H ASP 29 2.489 19.668 -25.705 206 HA ASP 29 HA ASP 29 0.911 21.984 -26.611 207 HB2 ASP 29 HB2 ASP 29 2.956 23.212 -25.467 208 HB3 ASP 29 HB3 ASP 29 1.597 22.627 -24.511 209 H GLY 30 H GLY 30 3.823 20.125 -27.092 210 HA2 GLY 30 HA2 GLY 30 4.333 20.397 -29.651 211 HA3 GLY 30 HA3 GLY 30 4.783 22.010 -29.118 212 H LYS 31 H LYS 31 6.018 21.455 -26.709 213 HA LYS 31 HA LYS 31 8.147 19.544 -27.323 214 HB2 LYS 31 HB2 LYS 31 8.794 22.342 -26.408 215 HB3 LYS 31 HB3 LYS 31 9.906 21.106 -26.983 216 HG2 LYS 31 HG2 LYS 31 8.329 21.364 -29.148 217 HG3 LYS 31 HG3 LYS 31 8.231 22.998 -28.489 218 HD2 LYS 31 HD2 LYS 31 10.158 23.377 -29.558 219 HD3 LYS 31 HD3 LYS 31 10.913 22.405 -28.292 220 HE2 LYS 31 HE2 LYS 31 11.076 20.545 -29.632 221 HE3 LYS 31 HE3 LYS 31 9.718 21.025 -30.647 222 HZ1 LYS 31 HZ1 LYS 31 12.436 22.220 -30.663 223 HZ2 LYS 31 HZ2 LYS 31 11.132 22.785 -31.579 224 HZ3 LYS 31 HZ3 LYS 31 11.760 21.241 -31.866 225 H ASP 32 H ASP 32 9.848 20.048 -25.260 226 HA ASP 32 HA ASP 32 8.427 18.947 -23.044 227 HB2 ASP 32 HB2 ASP 32 11.205 20.047 -22.804 228 HB3 ASP 32 HB3 ASP 32 10.507 18.615 -22.053 229 H ASP 33 H ASP 33 7.714 19.889 -21.211 230 HA ASP 33 HA ASP 33 8.111 22.799 -20.957 231 HB2 ASP 33 HB2 ASP 33 5.723 21.139 -20.122 232 HB3 ASP 33 HB3 ASP 33 5.906 22.869 -19.840 233 H CYS 34 H CYS 34 8.239 19.711 -19.398 234 HA CYS 34 HA CYS 34 8.518 20.789 -16.734 235 HB2 CYS 34 HB2 CYS 34 7.479 18.608 -17.018 236 HB3 CYS 34 HB3 CYS 34 8.923 17.993 -17.816 237 H GLY 35 H GLY 35 10.627 19.518 -19.259 238 HA2 GLY 35 HA2 GLY 35 12.870 20.082 -19.592 239 HA3 GLY 35 HA3 GLY 35 12.892 20.833 -18.003 240 H ASN 36 H ASN 36 11.526 18.042 -17.289 241 HA ASN 36 HA ASN 36 14.099 16.779 -16.663 242 HB2 ASN 36 HB2 ASN 36 12.565 17.307 -14.779 243 HB3 ASN 36 HB3 ASN 36 11.370 16.221 -15.481 244 HD21 ASN 36 HD21 ASN 36 11.322 14.780 -13.821 245 HD22 ASN 36 HD22 ASN 36 12.654 13.763 -13.401 246 H GLY 37 H GLY 37 11.130 16.319 -18.409 247 HA2 GLY 37 HA2 GLY 37 11.035 14.830 -20.277 248 HA3 GLY 37 HA3 GLY 37 12.216 13.804 -19.475 249 H ALA 38 H ALA 38 9.413 15.140 -17.854 250 HA ALA 38 HA ALA 38 8.323 12.410 -17.646 251 HB1 ALA 38 HB1 ALA 38 7.709 14.573 -15.671 252 HB2 ALA 38 HB2 ALA 38 7.648 12.821 -15.466 253 HB3 ALA 38 HB3 ALA 38 9.205 13.645 -15.555 254 H ASP 39 H ASP 39 7.470 15.836 -17.926 255 HA ASP 39 HA ASP 39 4.684 15.463 -18.166 256 HB2 ASP 39 HB2 ASP 39 4.587 17.744 -18.879 257 HB3 ASP 39 HB3 ASP 39 5.857 17.636 -17.664 258 H GLU 40 H GLU 40 7.288 15.033 -20.383 259 HA GLU 40 HA GLU 40 6.013 15.402 -22.833 260 HB2 GLU 40 HB2 GLU 40 8.289 13.667 -21.937 261 HB3 GLU 40 HB3 GLU 40 7.683 13.546 -23.583 262 HG2 GLU 40 HG2 GLU 40 8.831 15.985 -22.249 263 HG3 GLU 40 HG3 GLU 40 9.559 15.032 -23.541 264 H GLU 41 H GLU 41 5.794 12.801 -20.531 265 HA GLU 41 HA GLU 41 4.724 10.811 -22.210 266 HB2 GLU 41 HB2 GLU 41 4.247 11.251 -19.256 267 HB3 GLU 41 HB3 GLU 41 3.910 9.768 -20.138 268 HG2 GLU 41 HG2 GLU 41 6.668 10.895 -20.163 269 HG3 GLU 41 HG3 GLU 41 6.096 10.009 -18.750 270 H ASN 42 H ASN 42 2.375 9.940 -21.464 271 HA ASN 42 HA ASN 42 0.126 10.184 -21.695 272 HB2 ASN 42 HB2 ASN 42 0.334 13.092 -20.981 273 HB3 ASN 42 HB3 ASN 42 -0.927 11.934 -20.567 274 HD21 ASN 42 HD21 ASN 42 0.973 13.784 -19.042 275 HD22 ASN 42 HD22 ASN 42 1.593 12.773 -17.785 276 H CYS 43 H CYS 43 2.112 10.995 -23.836 277 HA CYS 43 HA CYS 43 0.134 11.994 -25.697 278 HB2 CYS 43 HB2 CYS 43 2.371 13.653 -24.698 279 HB3 CYS 43 HB3 CYS 43 2.140 13.653 -26.444 280 H GLY 44 H GLY 44 1.949 9.630 -25.149 281 HA2 GLY 44 HA2 GLY 44 3.732 9.616 -27.439 282 HA3 GLY 44 HA3 GLY 44 3.511 8.315 -26.278 Start of MODEL 6 1 H1 GLY 1 H GLY 1 14.222 26.308 0.427 2 HA2 GLY 1 HA2 GLY 1 12.207 24.864 1.113 3 HA3 GLY 1 HA3 GLY 1 11.852 26.514 0.623 4 H SER 2 H SER 2 9.817 24.860 0.401 5 HA SER 2 HA SER 2 8.282 23.936 -1.005 6 HB2 SER 2 HB2 SER 2 9.427 25.129 -3.447 7 HB3 SER 2 HB3 SER 2 7.802 25.270 -2.776 8 HG SER 2 HG SER 2 9.874 26.980 -2.584 9 H MET 3 H MET 3 10.562 22.353 -0.502 10 HA MET 3 HA MET 3 11.295 21.134 -3.041 11 HB2 MET 3 HB2 MET 3 12.134 20.578 -0.194 12 HB3 MET 3 HB3 MET 3 12.688 19.633 -1.570 13 HG2 MET 3 HG2 MET 3 13.203 22.234 -2.325 14 HG3 MET 3 HG3 MET 3 13.578 22.216 -0.603 15 HE1 MET 3 HE1 MET 3 13.863 19.542 -3.475 16 HE2 MET 3 HE2 MET 3 14.583 20.995 -4.169 17 HE3 MET 3 HE3 MET 3 15.593 19.592 -3.813 18 H ILE 4 H ILE 4 9.144 20.613 -0.377 19 HA ILE 4 HA ILE 4 8.102 18.232 -1.725 20 HB ILE 4 HB ILE 4 9.592 17.446 0.094 21 HG12 ILE 4 HG12 ILE 4 6.862 16.796 1.074 22 HG13 ILE 4 HG13 ILE 4 7.199 16.470 -0.622 23 HG21 ILE 4 HG21 ILE 4 7.619 18.653 2.013 24 HG22 ILE 4 HG22 ILE 4 9.170 17.897 2.371 25 HG23 ILE 4 HG23 ILE 4 9.118 19.459 1.555 26 HD11 ILE 4 HD11 ILE 4 8.172 15.123 1.796 27 HD12 ILE 4 HD12 ILE 4 7.886 14.492 0.173 28 HD13 ILE 4 HD13 ILE 4 9.373 15.371 0.529 29 H THR 5 H THR 5 5.902 17.878 -1.451 30 HA THR 5 HA THR 5 3.716 18.406 -1.088 31 HB THR 5 HB THR 5 4.596 20.127 1.226 32 HG1 THR 5 HG1 THR 5 3.949 17.415 1.571 33 HG21 THR 5 HG21 THR 5 2.118 18.458 0.776 34 HG22 THR 5 HG22 THR 5 2.219 20.207 0.569 35 HG23 THR 5 HG23 THR 5 2.445 19.493 2.166 36 HA PRO 6 HA PRO 6 4.451 22.473 -3.210 37 HB2 PRO 6 HB2 PRO 6 3.156 21.781 -5.493 38 HB3 PRO 6 HB3 PRO 6 4.867 21.436 -5.217 39 HG2 PRO 6 HG2 PRO 6 2.499 19.628 -4.924 40 HG3 PRO 6 HG3 PRO 6 4.084 19.288 -5.643 41 HD2 PRO 6 HD2 PRO 6 3.423 18.506 -3.136 42 HD3 PRO 6 HD3 PRO 6 5.081 18.948 -3.593 43 H SER 7 H SER 7 2.572 23.626 -4.610 44 HA SER 7 HA SER 7 0.097 23.371 -3.028 45 HB2 SER 7 HB2 SER 7 1.612 25.461 -2.692 46 HB3 SER 7 HB3 SER 7 0.975 25.972 -4.255 47 HG SER 7 HG SER 7 -0.573 25.304 -1.968 48 H CYS 8 H CYS 8 0.359 21.889 -5.306 49 HA CYS 8 HA CYS 8 -1.356 23.327 -7.225 50 HB2 CYS 8 HB2 CYS 8 -0.414 21.680 -8.929 51 HB3 CYS 8 HB3 CYS 8 0.680 22.939 -8.365 52 H GLN 9 H GLN 9 -3.263 22.423 -7.735 53 HA GLN 9 HA GLN 9 -3.744 19.600 -7.345 54 HB2 GLN 9 HB2 GLN 9 -5.039 21.699 -5.620 55 HB3 GLN 9 HB3 GLN 9 -5.809 20.146 -5.917 56 HG2 GLN 9 HG2 GLN 9 -3.792 19.031 -5.008 57 HG3 GLN 9 HG3 GLN 9 -3.147 20.620 -4.601 58 HE21 GLN 9 HE22 GLN 9 -3.610 21.414 -2.672 59 HE22 GLN 9 HE21 GLN 9 -4.847 20.838 -1.613 60 H LYS 10 H LYS 10 -5.357 18.837 -8.629 61 HA LYS 10 HA LYS 10 -6.917 18.786 -10.283 62 HB2 LYS 10 HB2 LYS 10 -8.198 20.118 -8.555 63 HB3 LYS 10 HB3 LYS 10 -7.690 21.570 -9.409 64 HG2 LYS 10 HG2 LYS 10 -8.950 19.505 -11.079 65 HG3 LYS 10 HG3 LYS 10 -9.999 20.261 -9.877 66 HD2 LYS 10 HD2 LYS 10 -10.234 22.006 -11.234 67 HD3 LYS 10 HD3 LYS 10 -8.507 22.334 -11.069 68 HE2 LYS 10 HE2 LYS 10 -8.557 22.068 -13.317 69 HE3 LYS 10 HE3 LYS 10 -8.402 20.367 -12.879 70 HZ1 LYS 10 HZ1 LYS 10 -10.843 21.829 -13.690 71 HZ2 LYS 10 HZ2 LYS 10 -10.916 20.330 -12.909 72 HZ3 LYS 10 HZ3 LYS 10 -10.149 20.464 -14.411 73 H GLY 11 H GLY 11 -5.911 18.779 -12.203 74 HA2 GLY 11 HA2 GLY 11 -5.640 19.832 -14.321 75 HA3 GLY 11 HA3 GLY 11 -5.468 21.376 -13.498 76 H TYR 12 H TYR 12 -3.503 21.160 -11.790 77 HA TYR 12 HA TYR 12 -1.186 20.847 -13.464 78 HB2 TYR 12 HB2 TYR 12 -1.594 21.735 -10.614 79 HB3 TYR 12 HB3 TYR 12 0.014 21.524 -11.298 80 HD1 TYR 12 HD1 TYR 12 -3.202 23.123 -12.360 81 HD2 TYR 12 HD2 TYR 12 1.022 23.471 -11.986 82 HE1 TYR 12 HE1 TYR 12 -3.312 25.393 -13.302 83 HE2 TYR 12 HE2 TYR 12 0.924 25.742 -12.926 84 HH TYR 12 HH TYR 12 -1.012 27.612 -13.024 85 H PHE 13 H PHE 13 0.708 19.602 -12.834 86 HA PHE 13 HA PHE 13 0.223 17.331 -11.070 87 HB2 PHE 13 HB2 PHE 13 0.421 15.675 -12.644 88 HB3 PHE 13 HB3 PHE 13 -0.344 16.913 -13.635 89 HD1 PHE 13 HD2 PHE 13 1.325 18.530 -14.862 90 HD2 PHE 13 HD1 PHE 13 2.321 14.650 -13.424 91 HE1 PHE 13 HE2 PHE 13 3.212 18.433 -16.439 92 HE2 PHE 13 HE1 PHE 13 4.210 14.547 -14.997 93 HZ PHE 13 HZ PHE 13 4.657 16.440 -16.508 94 HA PRO 14 HA PRO 14 4.438 17.910 -9.985 95 HB2 PRO 14 HB2 PRO 14 5.119 15.393 -9.229 96 HB3 PRO 14 HB3 PRO 14 4.066 16.434 -8.264 97 HG2 PRO 14 HG2 PRO 14 3.335 14.222 -10.145 98 HG3 PRO 14 HG3 PRO 14 2.672 14.593 -8.543 99 HD2 PRO 14 HD2 PRO 14 1.410 15.282 -10.837 100 HD3 PRO 14 HD3 PRO 14 1.300 16.257 -9.357 101 H CYS 15 H CYS 15 6.412 17.888 -10.931 102 HA CYS 15 HA CYS 15 6.670 16.744 -13.540 103 HB2 CYS 15 HB2 CYS 15 8.185 18.602 -11.845 104 HB3 CYS 15 HB3 CYS 15 9.194 17.589 -12.872 105 H GLY 16 H GLY 16 6.303 14.493 -12.764 106 HA2 GLY 16 HA2 GLY 16 7.123 12.373 -12.443 107 HA3 GLY 16 HA3 GLY 16 8.713 13.035 -12.791 108 H ASN 17 H ASN 17 10.070 13.630 -11.108 109 HA ASN 17 HA ASN 17 9.176 12.759 -8.438 110 HB2 ASN 17 HB2 ASN 17 11.489 12.039 -10.004 111 HB3 ASN 17 HB3 ASN 17 11.991 12.782 -8.488 112 HD21 ASN 17 HD21 ASN 17 11.811 11.662 -6.635 113 HD22 ASN 17 HD22 ASN 17 11.173 10.060 -6.520 114 H LEU 18 H LEU 18 10.543 15.299 -10.317 115 HA LEU 18 HA LEU 18 11.850 16.809 -8.372 116 HB2 LEU 18 HB2 LEU 18 10.549 17.387 -10.975 117 HB3 LEU 18 HB3 LEU 18 10.904 18.756 -9.923 118 HG LEU 18 HG LEU 18 12.923 16.771 -10.969 119 HD11 LEU 18 HD11 LEU 18 11.771 18.597 -12.489 120 HD12 LEU 18 HD12 LEU 18 13.498 18.260 -12.596 121 HD13 LEU 18 HD13 LEU 18 12.927 19.655 -11.681 122 HD21 LEU 18 HD21 LEU 18 13.067 19.034 -9.035 123 HD22 LEU 18 HD22 LEU 18 14.436 18.735 -10.106 124 HD23 LEU 18 HD23 LEU 18 13.883 17.470 -9.007 125 H THR 19 H THR 19 10.919 19.145 -7.849 126 HA THR 19 HA THR 19 8.373 18.678 -6.454 127 HB THR 19 HB THR 19 10.329 19.233 -5.028 128 HG1 THR 19 HG1 THR 19 8.107 19.873 -4.503 129 HG21 THR 19 HG21 THR 19 10.198 21.947 -6.345 130 HG22 THR 19 HG22 THR 19 11.437 20.738 -6.678 131 HG23 THR 19 HG23 THR 19 11.299 21.437 -5.065 132 H LYS 20 H LYS 20 8.922 19.656 -9.296 133 HA LYS 20 HA LYS 20 7.631 22.286 -9.155 134 HB2 LYS 20 HB2 LYS 20 9.596 22.282 -10.529 135 HB3 LYS 20 HB3 LYS 20 9.058 20.848 -11.394 136 HG2 LYS 20 HG2 LYS 20 7.369 22.045 -12.526 137 HG3 LYS 20 HG3 LYS 20 7.547 23.444 -11.464 138 HD2 LYS 20 HD2 LYS 20 9.945 23.580 -12.350 139 HD3 LYS 20 HD3 LYS 20 9.409 22.468 -13.613 140 HE2 LYS 20 HE2 LYS 20 8.517 24.155 -14.747 141 HE3 LYS 20 HE3 LYS 20 7.498 24.569 -13.369 142 HZ1 LYS 20 HZ1 LYS 20 8.841 26.247 -12.772 143 HZ2 LYS 20 HZ2 LYS 20 9.360 26.186 -14.380 144 HZ3 LYS 20 HZ3 LYS 20 10.261 25.419 -13.172 145 H CYS 21 H CYS 21 5.737 22.741 -10.312 146 HA CYS 21 HA CYS 21 4.226 20.377 -11.211 147 HB2 CYS 21 HB2 CYS 21 3.589 22.307 -9.153 148 HB3 CYS 21 HB3 CYS 21 2.359 22.312 -10.413 149 H LEU 22 H LEU 22 3.319 20.493 -13.175 150 HA LEU 22 HA LEU 22 3.618 23.001 -14.658 151 HB2 LEU 22 HB2 LEU 22 3.405 20.125 -15.427 152 HB3 LEU 22 HB3 LEU 22 2.956 21.368 -16.593 153 HG LEU 22 HG LEU 22 5.604 21.661 -15.304 154 HD11 LEU 22 HD11 LEU 22 6.686 19.981 -16.513 155 HD12 LEU 22 HD12 LEU 22 5.279 19.678 -17.531 156 HD13 LEU 22 HD13 LEU 22 5.265 19.183 -15.839 157 HD21 LEU 22 HD21 LEU 22 4.835 23.253 -16.964 158 HD22 LEU 22 HD22 LEU 22 4.571 21.950 -18.125 159 HD23 LEU 22 HD23 LEU 22 6.207 22.339 -17.590 160 HA PRO 23 HA PRO 23 -0.682 23.838 -14.904 161 HB2 PRO 23 HB2 PRO 23 -0.941 24.755 -17.446 162 HB3 PRO 23 HB3 PRO 23 -0.149 25.682 -16.167 163 HG2 PRO 23 HG2 PRO 23 1.073 24.011 -18.329 164 HG3 PRO 23 HG3 PRO 23 1.567 25.607 -17.735 165 HD2 PRO 23 HD2 PRO 23 2.812 23.323 -16.983 166 HD3 PRO 23 HD3 PRO 23 2.661 24.727 -15.907 167 H ARG 24 H ARG 24 -2.693 23.389 -16.181 168 HA ARG 24 HA ARG 24 -2.813 20.603 -16.819 169 HB2 ARG 24 HB2 ARG 24 -5.168 20.908 -17.018 170 HB3 ARG 24 HB3 ARG 24 -4.635 21.917 -15.680 171 HG2 ARG 24 HG2 ARG 24 -5.912 23.460 -16.694 172 HG3 ARG 24 HG3 ARG 24 -4.476 23.693 -17.692 173 HD2 ARG 24 HD2 ARG 24 -5.945 23.379 -19.378 174 HD3 ARG 24 HD3 ARG 24 -5.638 21.677 -19.031 175 HE ARG 24 HE ARG 24 -7.768 22.641 -17.438 176 HH11 ARG 24 HH11 ARG 24 -6.990 21.709 -20.701 177 HH12 ARG 24 HH12 ARG 24 -8.611 21.240 -21.092 178 HH21 ARG 24 HH21 ARG 24 -9.906 22.027 -17.941 179 HH22 ARG 24 HH22 ARG 24 -10.269 21.422 -19.522 180 H ALA 25 H ALA 25 -2.493 23.537 -18.628 181 HA ALA 25 HA ALA 25 -3.411 22.565 -21.134 182 HB1 ALA 25 HB1 ALA 25 -2.195 24.985 -20.106 183 HB2 ALA 25 HB2 ALA 25 -1.572 24.557 -21.700 184 HB3 ALA 25 HB3 ALA 25 -3.307 24.765 -21.458 185 H PHE 26 H PHE 26 -0.633 21.908 -19.321 186 HA PHE 26 HA PHE 26 1.382 21.629 -21.196 187 HB2 PHE 26 HB2 PHE 26 2.525 20.418 -19.601 188 HB3 PHE 26 HB3 PHE 26 1.317 21.207 -18.591 189 HD1 PHE 26 HD1 PHE 26 -0.969 19.815 -18.433 190 HD2 PHE 26 HD2 PHE 26 2.880 18.188 -19.246 191 HE1 PHE 26 HE1 PHE 26 -1.731 17.618 -17.628 192 HE2 PHE 26 HE2 PHE 26 2.123 15.989 -18.443 193 HZ PHE 26 HZ PHE 26 -0.185 15.701 -17.633 194 H HIS 27 H HIS 27 -1.472 19.732 -20.746 195 HA HIS 27 HA HIS 27 -0.733 17.311 -21.903 196 HB2 HIS 27 HB2 HIS 27 -2.858 17.452 -20.840 197 HB3 HIS 27 HB3 HIS 27 -3.365 18.785 -21.872 198 HD1 HIS 27 HD1 HIS 27 -2.381 15.131 -22.305 199 HD2 HIS 27 HD2 HIS 27 -4.945 17.980 -23.908 200 HE1 HIS 27 HE1 HIS 27 -3.741 13.914 -24.035 201 H CYS 28 H CYS 28 0.492 17.344 -23.715 202 HA CYS 28 HA CYS 28 1.118 17.675 -25.881 203 HB2 CYS 28 HB2 CYS 28 -1.862 17.370 -26.031 204 HB3 CYS 28 HB3 CYS 28 -0.943 17.718 -27.492 205 H ASP 29 H ASP 29 1.937 19.803 -25.317 206 HA ASP 29 HA ASP 29 0.273 22.047 -26.201 207 HB2 ASP 29 HB2 ASP 29 2.008 23.470 -25.163 208 HB3 ASP 29 HB3 ASP 29 1.323 22.317 -24.022 209 H GLY 30 H GLY 30 3.475 20.607 -26.747 210 HA2 GLY 30 HA2 GLY 30 3.576 20.804 -29.462 211 HA3 GLY 30 HA3 GLY 30 4.079 22.398 -28.919 212 H LYS 31 H LYS 31 5.324 21.240 -26.479 213 HA LYS 31 HA LYS 31 7.389 19.462 -27.330 214 HB2 LYS 31 HB2 LYS 31 9.238 21.175 -26.902 215 HB3 LYS 31 HB3 LYS 31 8.384 21.284 -28.436 216 HG2 LYS 31 HG2 LYS 31 6.969 23.073 -27.462 217 HG3 LYS 31 HG3 LYS 31 7.968 23.013 -26.007 218 HD2 LYS 31 HD2 LYS 31 9.255 23.390 -28.679 219 HD3 LYS 31 HD3 LYS 31 8.482 24.760 -27.877 220 HE2 LYS 31 HE2 LYS 31 9.885 24.022 -25.825 221 HE3 LYS 31 HE3 LYS 31 10.849 23.143 -27.010 222 HZ1 LYS 31 HZ1 LYS 31 10.989 25.847 -26.355 223 HZ2 LYS 31 HZ2 LYS 31 10.415 25.756 -27.943 224 HZ3 LYS 31 HZ3 LYS 31 11.878 25.016 -27.529 225 H ASP 32 H ASP 32 9.319 19.767 -25.560 226 HA ASP 32 HA ASP 32 8.321 18.825 -23.165 227 HB2 ASP 32 HB2 ASP 32 10.525 19.150 -22.244 228 HB3 ASP 32 HB3 ASP 32 10.695 18.661 -23.928 229 H ASP 33 H ASP 33 7.720 19.698 -21.236 230 HA ASP 33 HA ASP 33 7.477 22.634 -21.154 231 HB2 ASP 33 HB2 ASP 33 5.745 20.666 -19.654 232 HB3 ASP 33 HB3 ASP 33 5.472 22.393 -19.870 233 H CYS 34 H CYS 34 8.368 19.746 -19.383 234 HA CYS 34 HA CYS 34 8.977 21.209 -16.962 235 HB2 CYS 34 HB2 CYS 34 8.134 18.768 -17.141 236 HB3 CYS 34 HB3 CYS 34 9.806 18.373 -17.525 237 H GLY 35 H GLY 35 10.959 19.050 -19.005 238 HA2 GLY 35 HA2 GLY 35 12.972 20.141 -20.032 239 HA3 GLY 35 HA3 GLY 35 13.250 20.828 -18.439 240 H ASN 36 H ASN 36 12.200 18.095 -17.407 241 HA ASN 36 HA ASN 36 14.845 16.863 -17.364 242 HB2 ASN 36 HB2 ASN 36 13.998 15.543 -15.493 243 HB3 ASN 36 HB3 ASN 36 13.679 17.254 -15.223 244 HD21 ASN 36 HD21 ASN 36 12.363 14.972 -14.051 245 HD22 ASN 36 HD22 ASN 36 10.693 15.092 -14.476 246 H GLY 37 H GLY 37 11.611 16.300 -18.541 247 HA2 GLY 37 HA2 GLY 37 11.359 14.871 -20.488 248 HA3 GLY 37 HA3 GLY 37 12.581 13.812 -19.798 249 H ALA 38 H ALA 38 9.719 15.271 -18.287 250 HA ALA 38 HA ALA 38 8.712 12.544 -17.791 251 HB1 ALA 38 HB1 ALA 38 9.499 14.465 -15.899 252 HB2 ALA 38 HB2 ALA 38 7.737 14.397 -15.837 253 HB3 ALA 38 HB3 ALA 38 8.685 12.928 -15.607 254 H ASP 39 H ASP 39 7.729 15.963 -17.975 255 HA ASP 39 HA ASP 39 4.973 15.487 -18.235 256 HB2 ASP 39 HB2 ASP 39 4.757 17.765 -18.715 257 HB3 ASP 39 HB3 ASP 39 6.234 17.697 -17.758 258 H GLU 40 H GLU 40 7.578 15.423 -20.549 259 HA GLU 40 HA GLU 40 6.246 15.731 -22.946 260 HB2 GLU 40 HB2 GLU 40 8.595 14.017 -22.174 261 HB3 GLU 40 HB3 GLU 40 7.996 14.057 -23.826 262 HG2 GLU 40 HG2 GLU 40 8.798 16.532 -22.327 263 HG3 GLU 40 HG3 GLU 40 9.927 15.585 -23.294 264 H GLU 41 H GLU 41 6.320 12.963 -20.798 265 HA GLU 41 HA GLU 41 5.108 11.140 -22.630 266 HB2 GLU 41 HB2 GLU 41 5.152 10.976 -19.614 267 HB3 GLU 41 HB3 GLU 41 4.899 9.651 -20.741 268 HG2 GLU 41 HG2 GLU 41 7.437 11.254 -20.552 269 HG3 GLU 41 HG3 GLU 41 7.163 9.715 -19.738 270 H ASN 42 H ASN 42 3.053 9.955 -21.315 271 HA ASN 42 HA ASN 42 0.806 10.050 -20.976 272 HB2 ASN 42 HB2 ASN 42 1.891 12.262 -19.507 273 HB3 ASN 42 HB3 ASN 42 0.343 12.737 -20.200 274 HD21 ASN 42 HD21 ASN 42 1.627 9.720 -18.841 275 HD22 ASN 42 HD22 ASN 42 0.346 9.488 -17.706 276 H CYS 43 H CYS 43 2.196 11.158 -23.473 277 HA CYS 43 HA CYS 43 -0.245 12.006 -24.774 278 HB2 CYS 43 HB2 CYS 43 1.696 13.933 -23.937 279 HB3 CYS 43 HB3 CYS 43 1.710 13.851 -25.696 280 H GLY 44 H GLY 44 1.807 9.813 -24.827 281 HA2 GLY 44 HA2 GLY 44 3.377 9.973 -27.148 282 HA3 GLY 44 HA3 GLY 44 2.825 8.484 -26.395 Start of MODEL 7 1 H1 GLY 1 H GLY 1 7.249 0.706 -6.169 2 HA2 GLY 1 HA2 GLY 1 4.943 0.220 -5.772 3 HA3 GLY 1 HA3 GLY 1 5.341 1.510 -4.648 4 H SER 2 H SER 2 2.863 0.660 -6.255 5 HA SER 2 HA SER 2 1.055 1.695 -7.169 6 HB2 SER 2 HB2 SER 2 2.247 3.615 -5.455 7 HB3 SER 2 HB3 SER 2 1.763 4.463 -6.923 8 HG SER 2 HG SER 2 -0.051 4.471 -5.757 9 H MET 3 H MET 3 0.618 3.844 -8.706 10 HA MET 3 HA MET 3 2.427 3.401 -10.980 11 HB2 MET 3 HB2 MET 3 -0.451 4.306 -10.869 12 HB3 MET 3 HB3 MET 3 0.511 4.312 -12.340 13 HG2 MET 3 HG2 MET 3 0.817 1.894 -12.146 14 HG3 MET 3 HG3 MET 3 -0.158 1.894 -10.679 15 HE1 MET 3 HE1 MET 3 -1.192 -0.139 -12.307 16 HE2 MET 3 HE2 MET 3 -2.242 0.204 -13.682 17 HE3 MET 3 HE3 MET 3 -0.496 0.407 -13.832 18 H ILE 4 H ILE 4 0.310 6.038 -9.835 19 HA ILE 4 HA ILE 4 2.511 7.913 -10.408 20 HB ILE 4 HB ILE 4 0.769 9.616 -10.938 21 HG12 ILE 4 HG12 ILE 4 -1.157 7.330 -11.260 22 HG13 ILE 4 HG13 ILE 4 -1.038 8.197 -9.733 23 HG21 ILE 4 HG21 ILE 4 1.957 8.501 -12.722 24 HG22 ILE 4 HG22 ILE 4 0.827 7.149 -12.669 25 HG23 ILE 4 HG23 ILE 4 0.273 8.740 -13.191 26 HD11 ILE 4 HD11 ILE 4 -1.281 10.244 -11.499 27 HD12 ILE 4 HD12 ILE 4 -2.265 8.993 -12.259 28 HD13 ILE 4 HD13 ILE 4 -2.614 9.508 -10.609 29 H THR 5 H THR 5 2.641 9.782 -9.078 30 HA THR 5 HA THR 5 1.080 9.671 -6.589 31 HB THR 5 HB THR 5 3.063 10.178 -5.261 32 HG1 THR 5 HG1 THR 5 4.678 9.659 -7.528 33 HG21 THR 5 HG21 THR 5 3.392 7.988 -5.003 34 HG22 THR 5 HG22 THR 5 4.251 7.894 -6.541 35 HG23 THR 5 HG23 THR 5 2.496 7.720 -6.498 36 HA PRO 6 HA PRO 6 1.106 13.926 -8.466 37 HB2 PRO 6 HB2 PRO 6 -1.568 14.317 -8.202 38 HB3 PRO 6 HB3 PRO 6 -0.847 13.525 -9.608 39 HG2 PRO 6 HG2 PRO 6 -2.153 12.303 -7.208 40 HG3 PRO 6 HG3 PRO 6 -2.321 11.864 -8.918 41 HD2 PRO 6 HD2 PRO 6 -0.735 10.487 -7.209 42 HD3 PRO 6 HD3 PRO 6 -0.351 10.666 -8.933 43 H SER 7 H SER 7 0.940 15.878 -7.372 44 HA SER 7 HA SER 7 -0.130 15.888 -4.659 45 HB2 SER 7 HB2 SER 7 2.451 15.318 -4.809 46 HB3 SER 7 HB3 SER 7 2.596 17.063 -5.019 47 HG SER 7 HG SER 7 2.573 16.030 -2.775 48 H CYS 8 H CYS 8 -0.730 17.131 -7.301 49 HA CYS 8 HA CYS 8 -0.646 19.942 -6.422 50 HB2 CYS 8 HB2 CYS 8 0.487 18.843 -8.766 51 HB3 CYS 8 HB3 CYS 8 -0.937 19.744 -9.275 52 H GLN 9 H GLN 9 -2.348 21.238 -7.791 53 HA GLN 9 HA GLN 9 -4.790 19.675 -8.178 54 HB2 GLN 9 HB2 GLN 9 -6.056 21.454 -6.891 55 HB3 GLN 9 HB3 GLN 9 -5.076 20.357 -5.928 56 HG2 GLN 9 HG2 GLN 9 -3.485 21.980 -5.463 57 HG3 GLN 9 HG3 GLN 9 -3.985 22.994 -6.815 58 HE21 GLN 9 HE22 GLN 9 -5.050 21.742 -3.693 59 HE22 GLN 9 HE21 GLN 9 -6.038 23.099 -3.283 60 H LYS 10 H LYS 10 -6.608 21.396 -8.845 61 HA LYS 10 HA LYS 10 -7.370 22.812 -10.454 62 HB2 LYS 10 HB2 LYS 10 -4.640 24.095 -10.414 63 HB3 LYS 10 HB3 LYS 10 -6.163 24.826 -10.903 64 HG2 LYS 10 HG2 LYS 10 -6.946 24.536 -8.536 65 HG3 LYS 10 HG3 LYS 10 -5.292 24.073 -8.126 66 HD2 LYS 10 HD2 LYS 10 -6.027 26.672 -9.467 67 HD3 LYS 10 HD3 LYS 10 -5.841 26.485 -7.721 68 HE2 LYS 10 HE2 LYS 10 -3.606 26.498 -7.851 69 HE3 LYS 10 HE3 LYS 10 -3.593 25.418 -9.244 70 HZ1 LYS 10 HZ1 LYS 10 -3.435 27.123 -10.663 71 HZ2 LYS 10 HZ2 LYS 10 -2.906 28.009 -9.323 72 HZ3 LYS 10 HZ3 LYS 10 -4.525 28.094 -9.806 73 H GLY 11 H GLY 11 -5.820 20.329 -11.087 74 HA2 GLY 11 HA2 GLY 11 -5.666 19.286 -13.194 75 HA3 GLY 11 HA3 GLY 11 -5.554 20.871 -13.945 76 H TYR 12 H TYR 12 -3.475 21.427 -11.697 77 HA TYR 12 HA TYR 12 -1.195 20.958 -13.319 78 HB2 TYR 12 HB2 TYR 12 -1.560 21.939 -10.495 79 HB3 TYR 12 HB3 TYR 12 0.040 21.704 -11.190 80 HD1 TYR 12 HD1 TYR 12 -3.189 23.261 -12.275 81 HD2 TYR 12 HD2 TYR 12 1.038 23.628 -11.953 82 HE1 TYR 12 HE1 TYR 12 -3.311 25.496 -13.295 83 HE2 TYR 12 HE2 TYR 12 0.927 25.864 -12.971 84 HH TYR 12 HH TYR 12 -1.636 27.686 -13.135 85 H PHE 13 H PHE 13 0.720 19.745 -12.695 86 HA PHE 13 HA PHE 13 0.307 17.538 -10.838 87 HB2 PHE 13 HB2 PHE 13 0.440 15.822 -12.351 88 HB3 PHE 13 HB3 PHE 13 -0.361 17.020 -13.362 89 HD1 PHE 13 HD2 PHE 13 1.349 18.638 -14.625 90 HD2 PHE 13 HD1 PHE 13 2.222 14.705 -13.251 91 HE1 PHE 13 HE2 PHE 13 3.175 18.474 -16.266 92 HE2 PHE 13 HE1 PHE 13 4.050 14.535 -14.889 93 HZ PHE 13 HZ PHE 13 4.528 16.420 -16.400 94 HA PRO 14 HA PRO 14 4.562 18.150 -9.950 95 HB2 PRO 14 HB2 PRO 14 5.285 15.658 -9.152 96 HB3 PRO 14 HB3 PRO 14 4.268 16.723 -8.174 97 HG2 PRO 14 HG2 PRO 14 3.470 14.456 -9.958 98 HG3 PRO 14 HG3 PRO 14 2.872 14.871 -8.341 99 HD2 PRO 14 HD2 PRO 14 1.513 15.490 -10.600 100 HD3 PRO 14 HD3 PRO 14 1.460 16.506 -9.145 101 H CYS 15 H CYS 15 6.539 18.042 -10.917 102 HA CYS 15 HA CYS 15 6.688 16.899 -13.534 103 HB2 CYS 15 HB2 CYS 15 8.327 18.680 -11.865 104 HB3 CYS 15 HB3 CYS 15 9.256 17.645 -12.945 105 H GLY 16 H GLY 16 6.259 14.659 -12.766 106 HA2 GLY 16 HA2 GLY 16 7.012 12.507 -12.488 107 HA3 GLY 16 HA3 GLY 16 8.620 13.118 -12.848 108 H ASN 17 H ASN 17 10.008 13.678 -11.169 109 HA ASN 17 HA ASN 17 9.125 12.784 -8.503 110 HB2 ASN 17 HB2 ASN 17 11.538 12.209 -10.082 111 HB3 ASN 17 HB3 ASN 17 11.861 12.655 -8.409 112 HD21 ASN 17 HD21 ASN 17 10.782 10.232 -10.529 113 HD22 ASN 17 HD22 ASN 17 10.388 9.038 -9.344 114 H LEU 18 H LEU 18 10.502 15.330 -10.360 115 HA LEU 18 HA LEU 18 11.851 16.780 -8.382 116 HB2 LEU 18 HB2 LEU 18 10.608 17.413 -11.000 117 HB3 LEU 18 HB3 LEU 18 10.984 18.764 -9.932 118 HG LEU 18 HG LEU 18 12.975 16.726 -10.928 119 HD11 LEU 18 HD11 LEU 18 13.736 19.119 -11.951 120 HD12 LEU 18 HD12 LEU 18 11.980 19.255 -12.033 121 HD13 LEU 18 HD13 LEU 18 12.797 17.908 -12.826 122 HD21 LEU 18 HD21 LEU 18 13.074 18.436 -8.711 123 HD22 LEU 18 HD22 LEU 18 14.064 19.200 -9.955 124 HD23 LEU 18 HD23 LEU 18 14.409 17.546 -9.445 125 H THR 19 H THR 19 10.974 19.139 -7.860 126 HA THR 19 HA THR 19 8.403 18.728 -6.495 127 HB THR 19 HB THR 19 10.321 19.242 -5.031 128 HG1 THR 19 HG1 THR 19 8.515 19.978 -4.099 129 HG21 THR 19 HG21 THR 19 11.673 20.598 -6.490 130 HG22 THR 19 HG22 THR 19 11.241 21.559 -5.076 131 HG23 THR 19 HG23 THR 19 10.403 21.816 -6.606 132 H LYS 20 H LYS 20 8.910 19.638 -9.333 133 HA LYS 20 HA LYS 20 7.782 22.339 -9.239 134 HB2 LYS 20 HB2 LYS 20 9.699 22.036 -10.708 135 HB3 LYS 20 HB3 LYS 20 8.883 20.723 -11.546 136 HG2 LYS 20 HG2 LYS 20 7.331 22.185 -12.542 137 HG3 LYS 20 HG3 LYS 20 7.769 23.510 -11.461 138 HD2 LYS 20 HD2 LYS 20 10.081 23.404 -12.493 139 HD3 LYS 20 HD3 LYS 20 9.386 22.333 -13.712 140 HE2 LYS 20 HE2 LYS 20 8.558 24.066 -14.829 141 HE3 LYS 20 HE3 LYS 20 7.728 24.651 -13.388 142 HZ1 LYS 20 HZ1 LYS 20 10.308 25.448 -14.499 143 HZ2 LYS 20 HZ2 LYS 20 10.163 25.445 -12.814 144 HZ3 LYS 20 HZ3 LYS 20 9.117 26.388 -13.752 145 H CYS 21 H CYS 21 5.887 22.882 -10.400 146 HA CYS 21 HA CYS 21 4.152 20.593 -11.057 147 HB2 CYS 21 HB2 CYS 21 3.711 22.847 -9.213 148 HB3 CYS 21 HB3 CYS 21 2.375 22.531 -10.316 149 H LEU 22 H LEU 22 3.320 20.627 -13.039 150 HA LEU 22 HA LEU 22 3.609 23.071 -14.628 151 HB2 LEU 22 HB2 LEU 22 3.397 20.166 -15.274 152 HB3 LEU 22 HB3 LEU 22 2.938 21.357 -16.489 153 HG LEU 22 HG LEU 22 5.602 21.661 -15.214 154 HD11 LEU 22 HD11 LEU 22 6.649 19.991 -16.497 155 HD12 LEU 22 HD12 LEU 22 5.187 19.675 -17.430 156 HD13 LEU 22 HD13 LEU 22 5.270 19.199 -15.734 157 HD21 LEU 22 HD21 LEU 22 6.168 22.274 -17.567 158 HD22 LEU 22 HD22 LEU 22 4.931 23.291 -16.827 159 HD23 LEU 22 HD23 LEU 22 4.469 22.039 -17.981 160 HA PRO 23 HA PRO 23 -0.694 23.895 -14.865 161 HB2 PRO 23 HB2 PRO 23 -0.963 24.746 -17.429 162 HB3 PRO 23 HB3 PRO 23 -0.169 25.707 -16.176 163 HG2 PRO 23 HG2 PRO 23 1.050 23.984 -18.298 164 HG3 PRO 23 HG3 PRO 23 1.543 25.596 -17.746 165 HD2 PRO 23 HD2 PRO 23 2.795 23.335 -16.940 166 HD3 PRO 23 HD3 PRO 23 2.644 24.765 -15.900 167 H ARG 24 H ARG 24 -2.708 23.403 -16.112 168 HA ARG 24 HA ARG 24 -2.818 20.603 -16.691 169 HB2 ARG 24 HB2 ARG 24 -5.180 20.896 -16.887 170 HB3 ARG 24 HB3 ARG 24 -4.638 21.909 -15.556 171 HG2 ARG 24 HG2 ARG 24 -5.842 23.510 -16.534 172 HG3 ARG 24 HG3 ARG 24 -4.496 23.629 -17.669 173 HD2 ARG 24 HD2 ARG 24 -6.481 23.449 -18.961 174 HD3 ARG 24 HD3 ARG 24 -5.653 21.896 -19.068 175 HE ARG 24 HE ARG 24 -7.512 21.833 -16.953 176 HH11 ARG 24 HH11 ARG 24 -7.370 21.879 -20.431 177 HH12 ARG 24 HH12 ARG 24 -8.868 21.032 -20.634 178 HH21 ARG 24 HH21 ARG 24 -9.485 20.716 -17.207 179 HH22 ARG 24 HH22 ARG 24 -10.070 20.371 -18.799 180 H ALA 25 H ALA 25 -2.551 23.506 -18.562 181 HA ALA 25 HA ALA 25 -3.483 22.477 -21.037 182 HB1 ALA 25 HB1 ALA 25 -2.613 24.951 -20.076 183 HB2 ALA 25 HB2 ALA 25 -1.499 24.533 -21.378 184 HB3 ALA 25 HB3 ALA 25 -3.235 24.586 -21.686 185 H PHE 26 H PHE 26 -0.678 21.882 -19.244 186 HA PHE 26 HA PHE 26 1.314 21.581 -21.141 187 HB2 PHE 26 HB2 PHE 26 2.495 20.439 -19.529 188 HB3 PHE 26 HB3 PHE 26 1.278 21.214 -18.520 189 HD1 PHE 26 HD1 PHE 26 -0.961 19.777 -18.287 190 HD2 PHE 26 HD2 PHE 26 2.899 18.216 -19.172 191 HE1 PHE 26 HE1 PHE 26 -1.661 17.575 -17.439 192 HE2 PHE 26 HE2 PHE 26 2.205 16.012 -18.327 193 HZ PHE 26 HZ PHE 26 -0.078 15.689 -17.459 194 H HIS 27 H HIS 27 -1.517 19.674 -20.611 195 HA HIS 27 HA HIS 27 -0.775 17.227 -21.707 196 HB2 HIS 27 HB2 HIS 27 -2.893 17.388 -20.635 197 HB3 HIS 27 HB3 HIS 27 -3.413 18.690 -21.700 198 HD1 HIS 27 HD1 HIS 27 -2.565 14.993 -21.894 199 HD2 HIS 27 HD2 HIS 27 -4.851 17.859 -23.850 200 HE1 HIS 27 HE1 HIS 27 -3.893 13.733 -23.618 201 H CYS 28 H CYS 28 0.435 17.209 -23.529 202 HA CYS 28 HA CYS 28 1.045 17.479 -25.708 203 HB2 CYS 28 HB2 CYS 28 -1.934 17.166 -25.824 204 HB3 CYS 28 HB3 CYS 28 -1.033 17.484 -27.303 205 H ASP 29 H ASP 29 1.970 19.538 -25.511 206 HA ASP 29 HA ASP 29 0.272 21.775 -26.398 207 HB2 ASP 29 HB2 ASP 29 1.956 23.256 -25.355 208 HB3 ASP 29 HB3 ASP 29 1.229 22.151 -24.192 209 H GLY 30 H GLY 30 3.336 20.110 -26.887 210 HA2 GLY 30 HA2 GLY 30 3.639 20.195 -29.516 211 HA3 GLY 30 HA3 GLY 30 4.016 21.864 -29.119 212 H LYS 31 H LYS 31 5.376 21.439 -26.694 213 HA LYS 31 HA LYS 31 7.619 19.693 -27.387 214 HB2 LYS 31 HB2 LYS 31 8.096 22.536 -26.510 215 HB3 LYS 31 HB3 LYS 31 9.267 21.384 -27.139 216 HG2 LYS 31 HG2 LYS 31 7.583 21.514 -29.228 217 HG3 LYS 31 HG3 LYS 31 7.375 23.135 -28.562 218 HD2 LYS 31 HD2 LYS 31 9.180 23.604 -29.833 219 HD3 LYS 31 HD3 LYS 31 10.065 22.912 -28.471 220 HE2 LYS 31 HE2 LYS 31 10.882 21.926 -30.502 221 HE3 LYS 31 HE3 LYS 31 9.978 20.706 -29.607 222 HZ1 LYS 31 HZ1 LYS 31 8.937 20.383 -31.539 223 HZ2 LYS 31 HZ2 LYS 31 9.442 21.860 -32.190 224 HZ3 LYS 31 HZ3 LYS 31 8.085 21.800 -31.183 225 H ASP 32 H ASP 32 9.346 20.080 -25.447 226 HA ASP 32 HA ASP 32 8.149 18.946 -23.173 227 HB2 ASP 32 HB2 ASP 32 10.317 19.115 -22.131 228 HB3 ASP 32 HB3 ASP 32 10.548 18.689 -23.824 229 H ASP 33 H ASP 33 7.421 19.772 -21.282 230 HA ASP 33 HA ASP 33 7.232 22.700 -21.118 231 HB2 ASP 33 HB2 ASP 33 5.608 20.712 -19.533 232 HB3 ASP 33 HB3 ASP 33 5.271 22.420 -19.799 233 H CYS 34 H CYS 34 8.248 19.831 -19.380 234 HA CYS 34 HA CYS 34 8.905 21.301 -16.979 235 HB2 CYS 34 HB2 CYS 34 8.131 18.835 -17.148 236 HB3 CYS 34 HB3 CYS 34 9.804 18.496 -17.582 237 H GLY 35 H GLY 35 10.888 19.196 -19.074 238 HA2 GLY 35 HA2 GLY 35 12.832 20.329 -20.177 239 HA3 GLY 35 HA3 GLY 35 13.132 21.062 -18.608 240 H ASN 36 H ASN 36 12.195 18.293 -17.521 241 HA ASN 36 HA ASN 36 14.889 17.164 -17.520 242 HB2 ASN 36 HB2 ASN 36 14.195 15.903 -15.580 243 HB3 ASN 36 HB3 ASN 36 13.702 17.580 -15.363 244 HD21 ASN 36 HD21 ASN 36 12.685 15.038 -14.229 245 HD22 ASN 36 HD22 ASN 36 10.992 15.037 -14.575 246 H GLY 37 H GLY 37 11.633 16.451 -18.563 247 HA2 GLY 37 HA2 GLY 37 11.381 14.979 -20.484 248 HA3 GLY 37 HA3 GLY 37 12.656 13.977 -19.807 249 H ALA 38 H ALA 38 9.775 15.372 -18.269 250 HA ALA 38 HA ALA 38 8.878 12.625 -17.684 251 HB1 ALA 38 HB1 ALA 38 9.050 13.066 -15.518 252 HB2 ALA 38 HB2 ALA 38 9.565 14.717 -15.865 253 HB3 ALA 38 HB3 ALA 38 7.849 14.345 -15.704 254 H ASP 39 H ASP 39 7.764 16.007 -17.848 255 HA ASP 39 HA ASP 39 5.024 15.417 -18.052 256 HB2 ASP 39 HB2 ASP 39 4.703 17.689 -18.518 257 HB3 ASP 39 HB3 ASP 39 6.191 17.674 -17.575 258 H GLU 40 H GLU 40 7.582 15.386 -20.395 259 HA GLU 40 HA GLU 40 6.206 15.697 -22.775 260 HB2 GLU 40 HB2 GLU 40 8.611 14.052 -22.037 261 HB3 GLU 40 HB3 GLU 40 7.979 14.046 -23.677 262 HG2 GLU 40 HG2 GLU 40 8.749 16.562 -22.229 263 HG3 GLU 40 HG3 GLU 40 9.871 15.636 -23.224 264 H GLU 41 H GLU 41 6.431 12.889 -20.674 265 HA GLU 41 HA GLU 41 5.216 11.058 -22.481 266 HB2 GLU 41 HB2 GLU 41 5.250 10.852 -19.471 267 HB3 GLU 41 HB3 GLU 41 5.118 9.540 -20.634 268 HG2 GLU 41 HG2 GLU 41 7.532 11.304 -20.300 269 HG3 GLU 41 HG3 GLU 41 7.342 9.702 -19.591 270 H ASN 42 H ASN 42 3.205 9.816 -21.170 271 HA ASN 42 HA ASN 42 0.961 9.852 -20.804 272 HB2 ASN 42 HB2 ASN 42 1.112 12.732 -19.972 273 HB3 ASN 42 HB3 ASN 42 0.093 11.445 -19.335 274 HD21 ASN 42 HD21 ASN 42 1.215 9.706 -18.159 275 HD22 ASN 42 HD22 ASN 42 2.581 10.129 -17.189 276 H CYS 43 H CYS 43 2.297 11.035 -23.297 277 HA CYS 43 HA CYS 43 -0.178 11.843 -24.559 278 HB2 CYS 43 HB2 CYS 43 1.713 13.806 -23.703 279 HB3 CYS 43 HB3 CYS 43 1.730 13.751 -25.463 280 H GLY 44 H GLY 44 1.923 9.702 -24.671 281 HA2 GLY 44 HA2 GLY 44 1.984 8.545 -26.910 282 HA3 GLY 44 HA3 GLY 44 2.707 10.034 -27.500 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -4.366 -0.736 -9.383 2 HA2 GLY 1 HA2 GLY 1 -2.727 -1.884 -7.254 3 HA3 GLY 1 HA3 GLY 1 -2.139 -1.020 -8.667 4 H SER 2 H SER 2 -0.774 -0.009 -6.954 5 HA SER 2 HA SER 2 -1.741 2.591 -6.368 6 HB2 SER 2 HB2 SER 2 -1.478 2.372 -3.843 7 HB3 SER 2 HB3 SER 2 -2.926 1.641 -4.535 8 HG SER 2 HG SER 2 -0.544 0.187 -4.053 9 H MET 3 H MET 3 0.112 3.359 -7.279 10 HA MET 3 HA MET 3 2.465 3.367 -5.636 11 HB2 MET 3 HB2 MET 3 2.552 1.220 -7.065 12 HB3 MET 3 HB3 MET 3 2.854 2.298 -8.421 13 HG2 MET 3 HG2 MET 3 4.701 3.220 -6.731 14 HG3 MET 3 HG3 MET 3 4.596 1.558 -6.156 15 HE1 MET 3 HE1 MET 3 4.784 -0.602 -8.283 16 HE2 MET 3 HE2 MET 3 6.528 -0.457 -8.505 17 HE3 MET 3 HE3 MET 3 5.815 -0.183 -6.914 18 H ILE 4 H ILE 4 1.636 5.602 -5.785 19 HA ILE 4 HA ILE 4 2.842 6.963 -8.090 20 HB ILE 4 HB ILE 4 0.960 8.647 -7.968 21 HG12 ILE 4 HG12 ILE 4 -0.587 6.422 -6.651 22 HG13 ILE 4 HG13 ILE 4 0.173 7.702 -5.712 23 HG21 ILE 4 HG21 ILE 4 1.178 7.007 -9.775 24 HG22 ILE 4 HG22 ILE 4 0.240 5.850 -8.832 25 HG23 ILE 4 HG23 ILE 4 -0.512 7.341 -9.399 26 HD11 ILE 4 HD11 ILE 4 -1.972 8.482 -5.959 27 HD12 ILE 4 HD12 ILE 4 -1.143 9.280 -7.296 28 HD13 ILE 4 HD13 ILE 4 -2.129 7.849 -7.597 29 H THR 5 H THR 5 2.985 9.400 -7.628 30 HA THR 5 HA THR 5 3.414 9.963 -4.786 31 HB THR 5 HB THR 5 5.518 10.719 -6.804 32 HG1 THR 5 HG1 THR 5 5.579 8.456 -5.072 33 HG21 THR 5 HG21 THR 5 6.763 10.484 -4.426 34 HG22 THR 5 HG22 THR 5 5.148 10.938 -3.882 35 HG23 THR 5 HG23 THR 5 6.030 11.983 -4.995 36 HA PRO 6 HA PRO 6 1.355 13.411 -7.166 37 HB2 PRO 6 HB2 PRO 6 -0.739 13.678 -5.460 38 HB3 PRO 6 HB3 PRO 6 -0.746 12.549 -6.819 39 HG2 PRO 6 HG2 PRO 6 -0.196 12.024 -3.924 40 HG3 PRO 6 HG3 PRO 6 -1.164 11.077 -5.068 41 HD2 PRO 6 HD2 PRO 6 1.367 10.396 -4.390 42 HD3 PRO 6 HD3 PRO 6 0.689 10.070 -5.998 43 H SER 7 H SER 7 1.605 15.544 -6.692 44 HA SER 7 HA SER 7 1.900 16.451 -3.961 45 HB2 SER 7 HB2 SER 7 4.198 15.602 -5.156 46 HB3 SER 7 HB3 SER 7 4.190 17.305 -5.614 47 HG SER 7 HG SER 7 4.103 16.206 -3.004 48 H CYS 8 H CYS 8 0.147 16.937 -6.260 49 HA CYS 8 HA CYS 8 0.273 19.836 -6.211 50 HB2 CYS 8 HB2 CYS 8 1.499 18.686 -8.313 51 HB3 CYS 8 HB3 CYS 8 -0.151 18.717 -8.927 52 H GLN 9 H GLN 9 -1.698 20.817 -7.169 53 HA GLN 9 HA GLN 9 -3.994 18.976 -7.084 54 HB2 GLN 9 HB2 GLN 9 -3.730 21.686 -5.783 55 HB3 GLN 9 HB3 GLN 9 -5.272 20.873 -6.010 56 HG2 GLN 9 HG2 GLN 9 -4.510 19.016 -4.634 57 HG3 GLN 9 HG3 GLN 9 -2.948 19.805 -4.424 58 HE21 GLN 9 HE22 GLN 9 -5.773 19.209 -2.946 59 HE22 GLN 9 HE21 GLN 9 -5.854 20.562 -1.875 60 H LYS 10 H LYS 10 -6.018 20.099 -7.982 61 HA LYS 10 HA LYS 10 -7.110 21.016 -9.754 62 HB2 LYS 10 HB2 LYS 10 -4.742 22.855 -10.085 63 HB3 LYS 10 HB3 LYS 10 -6.406 23.143 -10.577 64 HG2 LYS 10 HG2 LYS 10 -6.755 24.180 -8.657 65 HG3 LYS 10 HG3 LYS 10 -6.472 22.657 -7.810 66 HD2 LYS 10 HD2 LYS 10 -4.980 24.257 -6.878 67 HD3 LYS 10 HD3 LYS 10 -4.013 23.189 -7.899 68 HE2 LYS 10 HE2 LYS 10 -3.223 25.049 -8.847 69 HE3 LYS 10 HE3 LYS 10 -4.796 25.183 -9.632 70 HZ1 LYS 10 HZ1 LYS 10 -3.762 26.624 -7.291 71 HZ2 LYS 10 HZ2 LYS 10 -5.428 26.372 -7.426 72 HZ3 LYS 10 HZ3 LYS 10 -4.601 27.220 -8.633 73 H GLY 11 H GLY 11 -6.339 21.968 -12.195 74 HA2 GLY 11 HA2 GLY 11 -5.793 19.665 -13.655 75 HA3 GLY 11 HA3 GLY 11 -5.618 21.302 -14.270 76 H TYR 12 H TYR 12 -3.599 21.787 -12.046 77 HA TYR 12 HA TYR 12 -1.288 21.242 -13.594 78 HB2 TYR 12 HB2 TYR 12 -1.708 22.278 -10.798 79 HB3 TYR 12 HB3 TYR 12 -0.095 22.000 -11.445 80 HD1 TYR 12 HD1 TYR 12 -3.261 23.596 -12.654 81 HD2 TYR 12 HD2 TYR 12 0.959 23.897 -12.203 82 HE1 TYR 12 HE1 TYR 12 -3.311 25.814 -13.715 83 HE2 TYR 12 HE2 TYR 12 0.920 26.117 -13.261 84 HH TYR 12 HH TYR 12 -0.410 27.809 -13.940 85 H PHE 13 H PHE 13 0.588 20.006 -12.895 86 HA PHE 13 HA PHE 13 0.078 17.835 -11.019 87 HB2 PHE 13 HB2 PHE 13 0.234 16.095 -12.503 88 HB3 PHE 13 HB3 PHE 13 -0.516 17.291 -13.555 89 HD1 PHE 13 HD2 PHE 13 1.229 18.848 -14.816 90 HD2 PHE 13 HD1 PHE 13 2.053 14.957 -13.301 91 HE1 PHE 13 HE2 PHE 13 3.102 18.634 -16.396 92 HE2 PHE 13 HE1 PHE 13 3.929 14.737 -14.879 93 HZ PHE 13 HZ PHE 13 4.455 16.577 -16.429 94 HA PRO 14 HA PRO 14 4.312 18.379 -9.999 95 HB2 PRO 14 HB2 PRO 14 4.971 15.881 -9.165 96 HB3 PRO 14 HB3 PRO 14 3.940 16.967 -8.226 97 HG2 PRO 14 HG2 PRO 14 3.164 14.702 -10.023 98 HG3 PRO 14 HG3 PRO 14 2.521 15.135 -8.429 99 HD2 PRO 14 HD2 PRO 14 1.245 15.761 -10.733 100 HD3 PRO 14 HD3 PRO 14 1.162 16.787 -9.286 101 H CYS 15 H CYS 15 6.309 18.251 -10.916 102 HA CYS 15 HA CYS 15 6.527 17.088 -13.516 103 HB2 CYS 15 HB2 CYS 15 8.129 18.860 -11.808 104 HB3 CYS 15 HB3 CYS 15 9.089 17.795 -12.830 105 H GLY 16 H GLY 16 6.065 14.853 -12.831 106 HA2 GLY 16 HA2 GLY 16 6.751 12.694 -12.462 107 HA3 GLY 16 HA3 GLY 16 8.370 13.264 -12.835 108 H ASN 17 H ASN 17 9.810 13.661 -11.197 109 HA ASN 17 HA ASN 17 8.911 12.854 -8.513 110 HB2 ASN 17 HB2 ASN 17 11.114 12.013 -10.113 111 HB3 ASN 17 HB3 ASN 17 11.758 12.854 -8.706 112 HD21 ASN 17 HD21 ASN 17 8.948 10.749 -9.212 113 HD22 ASN 17 HD22 ASN 17 9.358 9.619 -7.971 114 H LEU 18 H LEU 18 10.273 15.402 -10.371 115 HA LEU 18 HA LEU 18 11.623 16.845 -8.377 116 HB2 LEU 18 HB2 LEU 18 10.432 17.473 -11.020 117 HB3 LEU 18 HB3 LEU 18 10.801 18.827 -9.953 118 HG LEU 18 HG LEU 18 12.781 16.772 -10.936 119 HD11 LEU 18 HD11 LEU 18 11.846 18.459 -12.601 120 HD12 LEU 18 HD12 LEU 18 13.598 18.392 -12.418 121 HD13 LEU 18 HD13 LEU 18 12.680 19.687 -11.648 122 HD21 LEU 18 HD21 LEU 18 12.856 18.703 -8.781 123 HD22 LEU 18 HD22 LEU 18 14.117 19.005 -9.976 124 HD23 LEU 18 HD23 LEU 18 14.001 17.427 -9.194 125 H THR 19 H THR 19 10.752 19.217 -7.890 126 HA THR 19 HA THR 19 8.150 18.834 -6.576 127 HB THR 19 HB THR 19 10.027 19.319 -5.059 128 HG1 THR 19 HG1 THR 19 7.786 20.197 -4.775 129 HG21 THR 19 HG21 THR 19 10.405 22.089 -5.539 130 HG22 THR 19 HG22 THR 19 10.684 21.240 -7.060 131 HG23 THR 19 HG23 THR 19 11.598 20.793 -5.620 132 H LYS 20 H LYS 20 8.734 19.738 -9.400 133 HA LYS 20 HA LYS 20 7.683 22.466 -9.344 134 HB2 LYS 20 HB2 LYS 20 9.608 21.929 -10.818 135 HB3 LYS 20 HB3 LYS 20 8.587 20.802 -11.701 136 HG2 LYS 20 HG2 LYS 20 7.310 22.498 -12.641 137 HG3 LYS 20 HG3 LYS 20 7.805 23.676 -11.423 138 HD2 LYS 20 HD2 LYS 20 10.034 23.759 -12.351 139 HD3 LYS 20 HD3 LYS 20 9.640 22.476 -13.497 140 HE2 LYS 20 HE2 LYS 20 8.927 24.000 -14.943 141 HE3 LYS 20 HE3 LYS 20 7.692 24.508 -13.792 142 HZ1 LYS 20 HZ1 LYS 20 9.110 26.349 -14.483 143 HZ2 LYS 20 HZ2 LYS 20 10.474 25.545 -13.887 144 HZ3 LYS 20 HZ3 LYS 20 9.260 26.053 -12.824 145 H CYS 21 H CYS 21 5.851 23.055 -10.659 146 HA CYS 21 HA CYS 21 4.002 20.831 -11.203 147 HB2 CYS 21 HB2 CYS 21 3.600 23.247 -9.512 148 HB3 CYS 21 HB3 CYS 21 2.243 22.716 -10.500 149 H LEU 22 H LEU 22 3.237 20.842 -13.208 150 HA LEU 22 HA LEU 22 3.582 23.256 -14.830 151 HB2 LEU 22 HB2 LEU 22 3.340 20.344 -15.433 152 HB3 LEU 22 HB3 LEU 22 2.917 21.522 -16.674 153 HG LEU 22 HG LEU 22 5.555 21.862 -15.380 154 HD11 LEU 22 HD11 LEU 22 6.629 20.106 -16.504 155 HD12 LEU 22 HD12 LEU 22 5.202 19.735 -17.470 156 HD13 LEU 22 HD13 LEU 22 5.219 19.366 -15.746 157 HD21 LEU 22 HD21 LEU 22 4.542 21.994 -18.218 158 HD22 LEU 22 HD22 LEU 22 6.186 22.379 -17.706 159 HD23 LEU 22 HD23 LEU 22 4.833 23.359 -17.139 160 HA PRO 23 HA PRO 23 -0.705 24.131 -15.162 161 HB2 PRO 23 HB2 PRO 23 -0.929 24.907 -17.754 162 HB3 PRO 23 HB3 PRO 23 -0.137 25.895 -16.520 163 HG2 PRO 23 HG2 PRO 23 1.084 24.091 -18.574 164 HG3 PRO 23 HG3 PRO 23 1.593 25.711 -18.064 165 HD2 PRO 23 HD2 PRO 23 2.802 23.458 -17.174 166 HD3 PRO 23 HD3 PRO 23 2.658 24.921 -16.179 167 H ARG 24 H ARG 24 -2.710 23.630 -16.422 168 HA ARG 24 HA ARG 24 -2.856 20.816 -16.913 169 HB2 ARG 24 HB2 ARG 24 -5.203 21.127 -17.125 170 HB3 ARG 24 HB3 ARG 24 -4.668 22.222 -15.857 171 HG2 ARG 24 HG2 ARG 24 -5.914 23.715 -16.970 172 HG3 ARG 24 HG3 ARG 24 -4.492 23.842 -18.007 173 HD2 ARG 24 HD2 ARG 24 -6.526 23.565 -19.327 174 HD3 ARG 24 HD3 ARG 24 -5.443 22.189 -19.528 175 HE ARG 24 HE ARG 24 -7.324 21.688 -17.471 176 HH11 ARG 24 HH11 ARG 24 -7.019 21.872 -20.934 177 HH12 ARG 24 HH12 ARG 24 -8.316 20.763 -21.237 178 HH21 ARG 24 HH21 ARG 24 -9.032 20.227 -17.857 179 HH22 ARG 24 HH22 ARG 24 -9.460 19.829 -19.487 180 H ALA 25 H ALA 25 -2.504 23.649 -18.873 181 HA ALA 25 HA ALA 25 -3.414 22.548 -21.329 182 HB1 ALA 25 HB1 ALA 25 -1.376 24.740 -21.112 183 HB2 ALA 25 HB2 ALA 25 -2.613 24.495 -22.347 184 HB3 ALA 25 HB3 ALA 25 -3.076 25.011 -20.725 185 H PHE 26 H PHE 26 -0.648 21.981 -19.468 186 HA PHE 26 HA PHE 26 1.385 21.606 -21.297 187 HB2 PHE 26 HB2 PHE 26 2.493 20.437 -19.643 188 HB3 PHE 26 HB3 PHE 26 1.285 21.285 -18.683 189 HD1 PHE 26 HD1 PHE 26 -1.021 19.940 -18.485 190 HD2 PHE 26 HD2 PHE 26 2.803 18.214 -19.204 191 HE1 PHE 26 HE1 PHE 26 -1.828 17.791 -17.599 192 HE2 PHE 26 HE2 PHE 26 2.002 16.062 -18.320 193 HZ PHE 26 HZ PHE 26 -0.316 15.848 -17.517 194 H HIS 27 H HIS 27 -1.478 19.724 -20.796 195 HA HIS 27 HA HIS 27 -0.729 17.270 -21.873 196 HB2 HIS 27 HB2 HIS 27 -2.853 17.429 -20.818 197 HB3 HIS 27 HB3 HIS 27 -3.365 18.735 -21.883 198 HD1 HIS 27 HD1 HIS 27 -2.915 15.015 -21.783 199 HD2 HIS 27 HD2 HIS 27 -4.400 17.933 -24.340 200 HE1 HIS 27 HE1 HIS 27 -4.137 13.765 -23.592 201 H CYS 28 H CYS 28 0.495 17.247 -23.686 202 HA CYS 28 HA CYS 28 1.120 17.510 -25.862 203 HB2 CYS 28 HB2 CYS 28 -1.858 17.192 -26.001 204 HB3 CYS 28 HB3 CYS 28 -0.941 17.496 -27.473 205 H ASP 29 H ASP 29 1.984 19.622 -25.492 206 HA ASP 29 HA ASP 29 0.301 21.833 -26.453 207 HB2 ASP 29 HB2 ASP 29 1.959 23.321 -25.393 208 HB3 ASP 29 HB3 ASP 29 1.258 22.191 -24.238 209 H GLY 30 H GLY 30 3.507 20.362 -26.825 210 HA2 GLY 30 HA2 GLY 30 3.702 20.522 -29.548 211 HA3 GLY 30 HA3 GLY 30 4.256 22.093 -28.989 212 H LYS 31 H LYS 31 5.535 21.261 -26.615 213 HA LYS 31 HA LYS 31 7.490 19.251 -27.323 214 HB2 LYS 31 HB2 LYS 31 9.416 20.795 -27.060 215 HB3 LYS 31 HB3 LYS 31 8.438 21.148 -28.479 216 HG2 LYS 31 HG2 LYS 31 7.978 23.202 -27.767 217 HG3 LYS 31 HG3 LYS 31 7.560 22.634 -26.149 218 HD2 LYS 31 HD2 LYS 31 9.402 23.802 -25.561 219 HD3 LYS 31 HD3 LYS 31 10.238 22.335 -26.079 220 HE2 LYS 31 HE2 LYS 31 11.333 24.201 -27.092 221 HE3 LYS 31 HE3 LYS 31 10.443 23.347 -28.352 222 HZ1 LYS 31 HZ1 LYS 31 8.607 25.080 -27.703 223 HZ2 LYS 31 HZ2 LYS 31 9.836 25.480 -28.794 224 HZ3 LYS 31 HZ3 LYS 31 9.939 25.983 -27.182 225 H ASP 32 H ASP 32 9.408 19.604 -25.518 226 HA ASP 32 HA ASP 32 8.339 18.740 -23.120 227 HB2 ASP 32 HB2 ASP 32 10.942 20.254 -23.306 228 HB3 ASP 32 HB3 ASP 32 10.515 18.961 -22.189 229 H ASP 33 H ASP 33 7.704 19.681 -21.235 230 HA ASP 33 HA ASP 33 7.493 22.620 -21.253 231 HB2 ASP 33 HB2 ASP 33 5.739 20.718 -19.695 232 HB3 ASP 33 HB3 ASP 33 5.476 22.436 -19.982 233 H CYS 34 H CYS 34 8.352 19.794 -19.370 234 HA CYS 34 HA CYS 34 8.945 21.337 -16.997 235 HB2 CYS 34 HB2 CYS 34 8.101 18.899 -17.088 236 HB3 CYS 34 HB3 CYS 34 9.768 18.481 -17.468 237 H GLY 35 H GLY 35 10.935 19.134 -18.985 238 HA2 GLY 35 HA2 GLY 35 12.960 20.172 -20.019 239 HA3 GLY 35 HA3 GLY 35 13.222 20.931 -18.456 240 H ASN 36 H ASN 36 12.150 18.210 -17.358 241 HA ASN 36 HA ASN 36 14.806 16.999 -17.225 242 HB2 ASN 36 HB2 ASN 36 13.939 17.287 -15.064 243 HB3 ASN 36 HB3 ASN 36 12.324 16.775 -15.544 244 HD21 ASN 36 HD21 ASN 36 11.953 15.081 -14.269 245 HD22 ASN 36 HD22 ASN 36 12.950 13.674 -14.171 246 H GLY 37 H GLY 37 11.587 16.388 -18.409 247 HA2 GLY 37 HA2 GLY 37 11.347 14.874 -20.289 248 HA3 GLY 37 HA3 GLY 37 12.566 13.848 -19.547 249 H ALA 38 H ALA 38 9.667 15.363 -18.159 250 HA ALA 38 HA ALA 38 8.669 12.658 -17.542 251 HB1 ALA 38 HB1 ALA 38 9.555 13.829 -15.546 252 HB2 ALA 38 HB2 ALA 38 8.352 15.096 -15.797 253 HB3 ALA 38 HB3 ALA 38 7.836 13.450 -15.429 254 H ASP 39 H ASP 39 7.668 16.066 -17.834 255 HA ASP 39 HA ASP 39 4.922 15.579 -18.107 256 HB2 ASP 39 HB2 ASP 39 4.716 17.837 -18.770 257 HB3 ASP 39 HB3 ASP 39 6.104 17.806 -17.685 258 H GLU 40 H GLU 40 7.538 15.391 -20.395 259 HA GLU 40 HA GLU 40 6.230 15.607 -22.815 260 HB2 GLU 40 HB2 GLU 40 8.544 13.885 -21.953 261 HB3 GLU 40 HB3 GLU 40 7.965 13.889 -23.613 262 HG2 GLU 40 HG2 GLU 40 8.805 16.385 -22.171 263 HG3 GLU 40 HG3 GLU 40 9.917 15.394 -23.112 264 H GLU 41 H GLU 41 6.272 12.923 -20.557 265 HA GLU 41 HA GLU 41 5.057 11.032 -22.306 266 HB2 GLU 41 HB2 GLU 41 4.971 10.990 -19.291 267 HB3 GLU 41 HB3 GLU 41 4.849 9.622 -20.389 268 HG2 GLU 41 HG2 GLU 41 7.291 11.325 -19.942 269 HG3 GLU 41 HG3 GLU 41 7.024 9.697 -19.320 270 H ASN 42 H ASN 42 2.959 9.940 -20.988 271 HA ASN 42 HA ASN 42 0.707 10.078 -20.703 272 HB2 ASN 42 HB2 ASN 42 1.105 12.985 -19.994 273 HB3 ASN 42 HB3 ASN 42 -0.195 11.915 -19.477 274 HD21 ASN 42 HD21 ASN 42 2.968 13.044 -18.868 275 HD22 ASN 42 HD22 ASN 42 3.274 12.113 -17.446 276 H CYS 43 H CYS 43 2.178 11.079 -23.211 277 HA CYS 43 HA CYS 43 -0.225 11.872 -24.613 278 HB2 CYS 43 HB2 CYS 43 1.723 13.825 -23.817 279 HB3 CYS 43 HB3 CYS 43 1.724 13.685 -25.572 280 H GLY 44 H GLY 44 1.854 9.693 -24.513 281 HA2 GLY 44 HA2 GLY 44 3.211 9.878 -27.061 282 HA3 GLY 44 HA3 GLY 44 3.239 8.510 -25.958 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -1.228 30.186 11.540 2 HA2 GLY 1 HA2 GLY 1 -1.211 31.463 9.423 3 HA3 GLY 1 HA3 GLY 1 0.463 30.960 9.242 4 H SER 2 H SER 2 -2.587 30.391 8.187 5 HA SER 2 HA SER 2 -1.830 27.755 7.171 6 HB2 SER 2 HB2 SER 2 -4.621 28.218 8.205 7 HB3 SER 2 HB3 SER 2 -3.837 26.690 7.806 8 HG SER 2 HG SER 2 -2.868 26.675 9.698 9 H MET 3 H MET 3 -1.961 30.430 6.011 10 HA MET 3 HA MET 3 -4.119 30.041 4.045 11 HB2 MET 3 HB2 MET 3 -2.638 32.583 4.741 12 HB3 MET 3 HB3 MET 3 -3.946 32.440 3.574 13 HG2 MET 3 HG2 MET 3 -5.379 31.620 5.494 14 HG3 MET 3 HG3 MET 3 -4.081 32.157 6.557 15 HE1 MET 3 HE1 MET 3 -7.537 34.144 6.066 16 HE2 MET 3 HE2 MET 3 -6.772 32.787 6.894 17 HE3 MET 3 HE3 MET 3 -6.534 34.431 7.489 18 H ILE 4 H ILE 4 -2.744 28.496 2.937 19 HA ILE 4 HA ILE 4 -0.506 29.729 1.479 20 HB ILE 4 HB ILE 4 0.106 27.351 0.902 21 HG12 ILE 4 HG12 ILE 4 -1.427 26.384 3.243 22 HG13 ILE 4 HG13 ILE 4 -2.369 26.714 1.794 23 HG21 ILE 4 HG21 ILE 4 1.304 28.585 2.604 24 HG22 ILE 4 HG22 ILE 4 0.091 28.153 3.808 25 HG23 ILE 4 HG23 ILE 4 1.118 26.904 3.104 26 HD11 ILE 4 HD11 ILE 4 -0.137 24.750 2.158 27 HD12 ILE 4 HD12 ILE 4 -1.805 24.449 1.672 28 HD13 ILE 4 HD13 ILE 4 -0.696 25.257 0.564 29 H THR 5 H THR 5 -0.365 29.558 -0.758 30 HA THR 5 HA THR 5 -2.675 28.435 -2.174 31 HB THR 5 HB THR 5 -2.750 30.429 -3.662 32 HG1 THR 5 HG1 THR 5 -1.208 31.850 -3.449 33 HG21 THR 5 HG21 THR 5 -4.270 30.105 -1.673 34 HG22 THR 5 HG22 THR 5 -4.075 31.773 -2.210 35 HG23 THR 5 HG23 THR 5 -3.211 31.198 -0.784 36 HA PRO 6 HA PRO 6 1.414 27.306 -4.091 37 HB2 PRO 6 HB2 PRO 6 0.866 24.654 -4.281 38 HB3 PRO 6 HB3 PRO 6 1.575 25.388 -2.837 39 HG2 PRO 6 HG2 PRO 6 -1.273 24.640 -3.378 40 HG3 PRO 6 HG3 PRO 6 -0.314 24.402 -1.906 41 HD2 PRO 6 HD2 PRO 6 -2.098 26.422 -2.173 42 HD3 PRO 6 HD3 PRO 6 -0.616 26.578 -1.207 43 H SER 7 H SER 7 1.720 26.001 -6.156 44 HA SER 7 HA SER 7 -0.582 26.476 -7.932 45 HB2 SER 7 HB2 SER 7 1.783 27.687 -8.172 46 HB3 SER 7 HB3 SER 7 2.170 26.204 -9.045 47 HG SER 7 HG SER 7 0.380 28.242 -9.690 48 H CYS 8 H CYS 8 -0.754 24.151 -6.659 49 HA CYS 8 HA CYS 8 0.020 22.182 -8.704 50 HB2 CYS 8 HB2 CYS 8 0.145 21.886 -5.702 51 HB3 CYS 8 HB3 CYS 8 0.193 20.513 -6.803 52 H GLN 9 H GLN 9 -1.296 20.054 -8.256 53 HA GLN 9 HA GLN 9 -3.331 19.049 -8.423 54 HB2 GLN 9 HB2 GLN 9 -3.261 20.428 -5.949 55 HB3 GLN 9 HB3 GLN 9 -4.874 20.646 -6.615 56 HG2 GLN 9 HG2 GLN 9 -5.248 18.311 -6.713 57 HG3 GLN 9 HG3 GLN 9 -3.553 17.960 -6.378 58 HE21 GLN 9 HE22 GLN 9 -2.779 18.982 -4.255 59 HE22 GLN 9 HE21 GLN 9 -3.829 18.771 -2.899 60 H LYS 10 H LYS 10 -5.849 19.648 -8.558 61 HA LYS 10 HA LYS 10 -7.445 20.519 -9.930 62 HB2 LYS 10 HB2 LYS 10 -7.107 22.400 -8.307 63 HB3 LYS 10 HB3 LYS 10 -5.993 23.128 -9.457 64 HG2 LYS 10 HG2 LYS 10 -8.214 24.134 -9.575 65 HG3 LYS 10 HG3 LYS 10 -7.774 23.341 -11.089 66 HD2 LYS 10 HD2 LYS 10 -9.234 21.691 -9.119 67 HD3 LYS 10 HD3 LYS 10 -10.146 23.001 -9.871 68 HE2 LYS 10 HE2 LYS 10 -8.516 21.369 -11.702 69 HE3 LYS 10 HE3 LYS 10 -9.868 20.533 -10.939 70 HZ1 LYS 10 HZ1 LYS 10 -9.911 22.842 -12.766 71 HZ2 LYS 10 HZ2 LYS 10 -11.190 22.600 -11.686 72 HZ3 LYS 10 HZ3 LYS 10 -10.813 21.412 -12.830 73 H GLY 11 H GLY 11 -5.941 19.251 -11.534 74 HA2 GLY 11 HA2 GLY 11 -5.705 19.270 -13.883 75 HA3 GLY 11 HA3 GLY 11 -5.608 21.024 -13.836 76 H TYR 12 H TYR 12 -3.610 20.943 -11.650 77 HA TYR 12 HA TYR 12 -1.283 20.719 -13.339 78 HB2 TYR 12 HB2 TYR 12 -1.719 21.620 -10.498 79 HB3 TYR 12 HB3 TYR 12 -0.105 21.451 -11.179 80 HD1 TYR 12 HD2 TYR 12 -3.365 22.938 -12.268 81 HD2 TYR 12 HD1 TYR 12 0.843 23.427 -11.872 82 HE1 TYR 12 HE2 TYR 12 -3.542 25.194 -13.232 83 HE2 TYR 12 HE1 TYR 12 0.677 25.685 -12.834 84 HH TYR 12 HH TYR 12 -0.724 27.053 -14.089 85 H PHE 13 H PHE 13 0.648 19.537 -12.700 86 HA PHE 13 HA PHE 13 0.241 17.275 -10.908 87 HB2 PHE 13 HB2 PHE 13 0.469 15.603 -12.461 88 HB3 PHE 13 HB3 PHE 13 -0.340 16.806 -13.461 89 HD1 PHE 13 HD1 PHE 13 1.321 18.486 -14.670 90 HD2 PHE 13 HD2 PHE 13 2.338 14.584 -13.306 91 HE1 PHE 13 HE1 PHE 13 3.193 18.421 -16.265 92 HE2 PHE 13 HE2 PHE 13 4.212 14.513 -14.899 93 HZ PHE 13 HZ PHE 13 4.642 16.433 -16.380 94 HA PRO 14 HA PRO 14 4.452 17.966 -9.877 95 HB2 PRO 14 HB2 PRO 14 5.219 15.470 -9.135 96 HB3 PRO 14 HB3 PRO 14 4.146 16.476 -8.155 97 HG2 PRO 14 HG2 PRO 14 3.462 14.247 -10.031 98 HG3 PRO 14 HG3 PRO 14 2.806 14.594 -8.421 99 HD2 PRO 14 HD2 PRO 14 1.497 15.248 -10.699 100 HD3 PRO 14 HD3 PRO 14 1.374 16.216 -9.216 101 H CYS 15 H CYS 15 6.433 17.980 -10.821 102 HA CYS 15 HA CYS 15 6.694 16.905 -13.454 103 HB2 CYS 15 HB2 CYS 15 8.192 18.723 -11.715 104 HB3 CYS 15 HB3 CYS 15 9.227 17.717 -12.722 105 H GLY 16 H GLY 16 6.370 14.630 -12.891 106 HA2 GLY 16 HA2 GLY 16 7.150 12.498 -12.554 107 HA3 GLY 16 HA3 GLY 16 8.731 13.153 -12.954 108 H ASN 17 H ASN 17 10.210 13.497 -11.359 109 HA ASN 17 HA ASN 17 9.425 12.586 -8.677 110 HB2 ASN 17 HB2 ASN 17 11.762 12.140 -10.356 111 HB3 ASN 17 HB3 ASN 17 12.204 12.699 -8.746 112 HD21 ASN 17 HD21 ASN 17 10.580 10.208 -10.570 113 HD22 ASN 17 HD22 ASN 17 10.585 9.016 -9.319 114 H LEU 18 H LEU 18 10.574 15.287 -10.467 115 HA LEU 18 HA LEU 18 11.860 16.744 -8.439 116 HB2 LEU 18 HB2 LEU 18 10.598 17.384 -11.046 117 HB3 LEU 18 HB3 LEU 18 10.893 18.721 -9.937 118 HG LEU 18 HG LEU 18 12.988 16.831 -11.009 119 HD11 LEU 18 HD11 LEU 18 13.614 18.455 -12.520 120 HD12 LEU 18 HD12 LEU 18 12.822 19.749 -11.622 121 HD13 LEU 18 HD13 LEU 18 11.856 18.598 -12.545 122 HD21 LEU 18 HD21 LEU 18 13.914 17.485 -9.025 123 HD22 LEU 18 HD22 LEU 18 13.017 19.003 -8.976 124 HD23 LEU 18 HD23 LEU 18 14.409 18.835 -10.047 125 H THR 19 H THR 19 10.849 19.034 -7.856 126 HA THR 19 HA THR 19 8.281 18.445 -6.546 127 HB THR 19 HB THR 19 10.153 18.963 -5.021 128 HG1 THR 19 HG1 THR 19 7.918 19.608 -4.568 129 HG21 THR 19 HG21 THR 19 11.319 20.976 -5.029 130 HG22 THR 19 HG22 THR 19 10.098 21.795 -6.002 131 HG23 THR 19 HG23 THR 19 11.172 20.611 -6.747 132 H LYS 20 H LYS 20 8.862 19.549 -9.324 133 HA LYS 20 HA LYS 20 7.666 22.204 -9.143 134 HB2 LYS 20 HB2 LYS 20 9.583 21.833 -10.661 135 HB3 LYS 20 HB3 LYS 20 8.625 20.666 -11.564 136 HG2 LYS 20 HG2 LYS 20 7.282 22.286 -12.498 137 HG3 LYS 20 HG3 LYS 20 7.604 23.446 -11.207 138 HD2 LYS 20 HD2 LYS 20 9.921 23.671 -12.033 139 HD3 LYS 20 HD3 LYS 20 9.533 22.573 -13.360 140 HE2 LYS 20 HE2 LYS 20 8.926 24.374 -14.522 141 HE3 LYS 20 HE3 LYS 20 7.529 24.486 -13.453 142 HZ1 LYS 20 HZ1 LYS 20 8.840 26.563 -13.628 143 HZ2 LYS 20 HZ2 LYS 20 10.145 25.772 -12.898 144 HZ3 LYS 20 HZ3 LYS 20 8.702 25.987 -12.043 145 H CYS 21 H CYS 21 5.785 22.772 -10.383 146 HA CYS 21 HA CYS 21 4.018 20.496 -10.988 147 HB2 CYS 21 HB2 CYS 21 3.551 22.847 -9.225 148 HB3 CYS 21 HB3 CYS 21 2.202 22.299 -10.214 149 H LEU 22 H LEU 22 3.240 20.530 -12.987 150 HA LEU 22 HA LEU 22 3.467 23.002 -14.542 151 HB2 LEU 22 HB2 LEU 22 3.349 20.100 -15.224 152 HB3 LEU 22 HB3 LEU 22 2.852 21.289 -16.427 153 HG LEU 22 HG LEU 22 5.489 21.725 -15.162 154 HD11 LEU 22 HD11 LEU 22 5.279 19.227 -15.573 155 HD12 LEU 22 HD12 LEU 22 6.632 20.051 -16.346 156 HD13 LEU 22 HD13 LEU 22 5.204 19.625 -17.289 157 HD21 LEU 22 HD21 LEU 22 6.063 22.333 -17.474 158 HD22 LEU 22 HD22 LEU 22 4.657 23.219 -16.882 159 HD23 LEU 22 HD23 LEU 22 4.443 21.861 -17.988 160 HA PRO 23 HA PRO 23 -0.857 23.705 -14.798 161 HB2 PRO 23 HB2 PRO 23 -1.134 24.576 -17.354 162 HB3 PRO 23 HB3 PRO 23 -0.376 25.546 -16.086 163 HG2 PRO 23 HG2 PRO 23 0.905 23.882 -18.220 164 HG3 PRO 23 HG3 PRO 23 1.347 25.500 -17.647 165 HD2 PRO 23 HD2 PRO 23 2.659 23.267 -16.859 166 HD3 PRO 23 HD3 PRO 23 2.461 24.681 -15.803 167 H ARG 24 H ARG 24 -2.848 23.176 -16.076 168 HA ARG 24 HA ARG 24 -2.881 20.378 -16.673 169 HB2 ARG 24 HB2 ARG 24 -5.243 20.609 -16.887 170 HB3 ARG 24 HB3 ARG 24 -4.747 21.651 -15.560 171 HG2 ARG 24 HG2 ARG 24 -6.025 23.175 -16.582 172 HG3 ARG 24 HG3 ARG 24 -4.628 23.379 -17.642 173 HD2 ARG 24 HD2 ARG 24 -6.005 22.887 -19.326 174 HD3 ARG 24 HD3 ARG 24 -5.958 21.225 -18.737 175 HE ARG 24 HE ARG 24 -7.928 22.712 -17.353 176 HH11 ARG 24 HH11 ARG 24 -7.281 21.212 -20.427 177 HH12 ARG 24 HH12 ARG 24 -8.952 20.935 -20.791 178 HH21 ARG 24 HH21 ARG 24 -10.132 22.354 -17.821 179 HH22 ARG 24 HH22 ARG 24 -10.573 21.586 -19.309 180 H ALA 25 H ALA 25 -2.613 23.286 -18.522 181 HA ALA 25 HA ALA 25 -3.502 22.256 -21.018 182 HB1 ALA 25 HB1 ALA 25 -3.466 24.459 -21.351 183 HB2 ALA 25 HB2 ALA 25 -2.331 24.721 -20.026 184 HB3 ALA 25 HB3 ALA 25 -1.732 24.284 -21.626 185 H PHE 26 H PHE 26 -0.718 21.698 -19.183 186 HA PHE 26 HA PHE 26 1.319 21.451 -21.032 187 HB2 PHE 26 HB2 PHE 26 2.468 20.249 -19.427 188 HB3 PHE 26 HB3 PHE 26 1.253 21.046 -18.434 189 HD1 PHE 26 HD1 PHE 26 -1.033 19.643 -18.282 190 HD2 PHE 26 HD2 PHE 26 2.835 18.029 -19.025 191 HE1 PHE 26 HE1 PHE 26 -1.791 17.455 -17.451 192 HE2 PHE 26 HE2 PHE 26 2.083 15.838 -18.196 193 HZ PHE 26 HZ PHE 26 -0.232 15.548 -17.408 194 H HIS 27 H HIS 27 -1.486 19.473 -20.592 195 HA HIS 27 HA HIS 27 -0.671 17.077 -21.748 196 HB2 HIS 27 HB2 HIS 27 -2.799 17.148 -20.689 197 HB3 HIS 27 HB3 HIS 27 -3.347 18.469 -21.716 198 HD1 HIS 27 HD1 HIS 27 -5.368 17.220 -22.640 199 HD2 HIS 27 HD2 HIS 27 -1.770 15.242 -23.279 200 HE1 HIS 27 HE1 HIS 27 -5.897 15.366 -24.254 201 H CYS 28 H CYS 28 0.546 17.135 -23.562 202 HA CYS 28 HA CYS 28 1.163 17.480 -25.729 203 HB2 CYS 28 HB2 CYS 28 -1.837 17.268 -25.990 204 HB3 CYS 28 HB3 CYS 28 -0.764 17.359 -27.383 205 H ASP 29 H ASP 29 2.000 19.586 -25.316 206 HA ASP 29 HA ASP 29 0.270 21.815 -26.132 207 HB2 ASP 29 HB2 ASP 29 2.051 23.259 -25.149 208 HB3 ASP 29 HB3 ASP 29 1.322 22.156 -23.984 209 H GLY 30 H GLY 30 3.496 20.438 -26.708 210 HA2 GLY 30 HA2 GLY 30 3.634 20.504 -29.387 211 HA3 GLY 30 HA3 GLY 30 3.921 22.190 -28.983 212 H LYS 31 H LYS 31 5.254 21.253 -26.426 213 HA LYS 31 HA LYS 31 7.593 19.826 -27.273 214 HB2 LYS 31 HB2 LYS 31 9.158 21.730 -26.752 215 HB3 LYS 31 HB3 LYS 31 8.239 21.907 -28.241 216 HG2 LYS 31 HG2 LYS 31 6.755 23.476 -27.222 217 HG3 LYS 31 HG3 LYS 31 7.458 23.182 -25.630 218 HD2 LYS 31 HD2 LYS 31 9.416 23.978 -27.649 219 HD3 LYS 31 HD3 LYS 31 8.178 25.198 -27.345 220 HE2 LYS 31 HE2 LYS 31 8.661 24.869 -24.879 221 HE3 LYS 31 HE3 LYS 31 10.077 23.943 -25.377 222 HZ1 LYS 31 HZ1 LYS 31 10.625 26.018 -26.755 223 HZ2 LYS 31 HZ2 LYS 31 10.898 26.071 -25.087 224 HZ3 LYS 31 HZ3 LYS 31 9.529 26.817 -25.744 225 H ASP 32 H ASP 32 9.356 20.112 -25.437 226 HA ASP 32 HA ASP 32 8.316 19.028 -23.106 227 HB2 ASP 32 HB2 ASP 32 10.882 20.614 -23.217 228 HB3 ASP 32 HB3 ASP 32 10.493 19.258 -22.161 229 H ASP 33 H ASP 33 7.678 19.818 -21.153 230 HA ASP 33 HA ASP 33 7.392 22.745 -20.964 231 HB2 ASP 33 HB2 ASP 33 5.690 20.733 -19.499 232 HB3 ASP 33 HB3 ASP 33 5.371 22.446 -19.757 233 H CYS 34 H CYS 34 8.396 19.826 -19.334 234 HA CYS 34 HA CYS 34 8.979 21.244 -16.862 235 HB2 CYS 34 HB2 CYS 34 8.065 18.845 -17.019 236 HB3 CYS 34 HB3 CYS 34 9.703 18.385 -17.473 237 H GLY 35 H GLY 35 10.905 19.039 -18.907 238 HA2 GLY 35 HA2 GLY 35 12.947 20.025 -19.944 239 HA3 GLY 35 HA3 GLY 35 13.227 20.793 -18.389 240 H ASN 36 H ASN 36 12.121 18.111 -17.248 241 HA ASN 36 HA ASN 36 14.755 16.870 -17.083 242 HB2 ASN 36 HB2 ASN 36 13.898 15.671 -15.172 243 HB3 ASN 36 HB3 ASN 36 13.445 17.365 -15.013 244 HD21 ASN 36 HD21 ASN 36 12.257 14.974 -13.832 245 HD22 ASN 36 HD22 ASN 36 10.599 14.980 -14.316 246 H GLY 37 H GLY 37 11.614 16.322 -18.444 247 HA2 GLY 37 HA2 GLY 37 11.403 14.811 -20.310 248 HA3 GLY 37 HA3 GLY 37 12.602 13.776 -19.548 249 H ALA 38 H ALA 38 9.679 15.275 -18.199 250 HA ALA 38 HA ALA 38 8.640 12.565 -17.682 251 HB1 ALA 38 HB1 ALA 38 9.574 13.844 -15.669 252 HB2 ALA 38 HB2 ALA 38 8.147 14.869 -15.825 253 HB3 ALA 38 HB3 ALA 38 7.962 13.142 -15.522 254 H ASP 39 H ASP 39 7.709 16.001 -17.857 255 HA ASP 39 HA ASP 39 4.955 15.582 -18.159 256 HB2 ASP 39 HB2 ASP 39 4.800 17.864 -18.735 257 HB3 ASP 39 HB3 ASP 39 6.195 17.768 -17.664 258 H GLU 40 H GLU 40 7.574 15.322 -20.413 259 HA GLU 40 HA GLU 40 6.313 15.683 -22.847 260 HB2 GLU 40 HB2 GLU 40 8.535 13.841 -21.998 261 HB3 GLU 40 HB3 GLU 40 7.974 13.892 -23.663 262 HG2 GLU 40 HG2 GLU 40 8.921 16.320 -22.169 263 HG3 GLU 40 HG3 GLU 40 9.981 15.301 -23.140 264 H GLU 41 H GLU 41 6.197 12.938 -20.666 265 HA GLU 41 HA GLU 41 5.082 11.027 -22.361 266 HB2 GLU 41 HB2 GLU 41 4.512 11.395 -19.415 267 HB3 GLU 41 HB3 GLU 41 4.282 9.919 -20.342 268 HG2 GLU 41 HG2 GLU 41 6.992 11.002 -20.484 269 HG3 GLU 41 HG3 GLU 41 6.485 10.528 -18.863 270 H ASN 42 H ASN 42 2.729 10.143 -21.717 271 HA ASN 42 HA ASN 42 0.484 10.393 -21.985 272 HB2 ASN 42 HB2 ASN 42 1.245 12.385 -20.156 273 HB3 ASN 42 HB3 ASN 42 0.182 13.187 -21.309 274 HD21 ASN 42 HD21 ASN 42 0.437 10.379 -19.193 275 HD22 ASN 42 HD22 ASN 42 -1.255 10.245 -18.870 276 H CYS 43 H CYS 43 2.507 11.290 -24.050 277 HA CYS 43 HA CYS 43 0.568 12.379 -25.901 278 HB2 CYS 43 HB2 CYS 43 1.910 14.277 -24.631 279 HB3 CYS 43 HB3 CYS 43 3.156 13.865 -25.805 280 H GLY 44 H GLY 44 2.229 9.942 -25.496 281 HA2 GLY 44 HA2 GLY 44 3.848 10.048 -27.960 282 HA3 GLY 44 HA3 GLY 44 4.102 8.912 -26.643 Start of MODEL 10 1 H1 GLY 1 H GLY 1 4.002 -4.253 -6.715 2 HA2 GLY 1 HA2 GLY 1 4.809 -2.086 -8.035 3 HA3 GLY 1 HA3 GLY 1 3.587 -3.145 -8.723 4 H SER 2 H SER 2 3.327 -0.796 -9.693 5 HA SER 2 HA SER 2 2.047 1.077 -9.908 6 HB2 SER 2 HB2 SER 2 0.218 -0.735 -8.334 7 HB3 SER 2 HB3 SER 2 -0.301 0.845 -8.920 8 HG SER 2 HG SER 2 -0.728 -0.191 -10.695 9 H MET 3 H MET 3 3.471 2.419 -8.719 10 HA MET 3 HA MET 3 2.406 3.200 -6.087 11 HB2 MET 3 HB2 MET 3 5.160 2.493 -6.875 12 HB3 MET 3 HB3 MET 3 5.012 3.956 -5.910 13 HG2 MET 3 HG2 MET 3 4.801 2.754 -4.072 14 HG3 MET 3 HG3 MET 3 3.389 1.938 -4.740 15 HE1 MET 3 HE1 MET 3 5.586 -0.395 -2.883 16 HE2 MET 3 HE2 MET 3 4.010 0.373 -3.079 17 HE3 MET 3 HE3 MET 3 4.343 -1.171 -3.865 18 H ILE 4 H ILE 4 1.777 5.250 -5.990 19 HA ILE 4 HA ILE 4 2.915 7.157 -7.929 20 HB ILE 4 HB ILE 4 0.727 8.369 -7.793 21 HG12 ILE 4 HG12 ILE 4 -0.629 5.896 -6.885 22 HG13 ILE 4 HG13 ILE 4 0.206 6.822 -5.642 23 HG21 ILE 4 HG21 ILE 4 1.500 6.386 -9.444 24 HG22 ILE 4 HG22 ILE 4 -0.004 5.708 -8.822 25 HG23 ILE 4 HG23 ILE 4 -0.010 7.278 -9.624 26 HD11 ILE 4 HD11 ILE 4 -1.728 7.927 -5.497 27 HD12 ILE 4 HD12 ILE 4 -1.159 8.775 -6.935 28 HD13 ILE 4 HD13 ILE 4 -2.261 7.408 -7.096 29 H THR 5 H THR 5 3.288 9.269 -7.232 30 HA THR 5 HA THR 5 2.891 9.848 -4.388 31 HB THR 5 HB THR 5 5.554 10.312 -5.734 32 HG1 THR 5 HG1 THR 5 6.249 8.452 -4.825 33 HG21 THR 5 HG21 THR 5 4.418 11.394 -3.425 34 HG22 THR 5 HG22 THR 5 6.118 11.441 -3.893 35 HG23 THR 5 HG23 THR 5 5.525 10.149 -2.849 36 HA PRO 6 HA PRO 6 1.840 13.406 -7.191 37 HB2 PRO 6 HB2 PRO 6 -0.558 13.922 -6.028 38 HB3 PRO 6 HB3 PRO 6 -0.358 12.751 -7.336 39 HG2 PRO 6 HG2 PRO 6 -0.549 12.282 -4.386 40 HG3 PRO 6 HG3 PRO 6 -1.312 11.386 -5.713 41 HD2 PRO 6 HD2 PRO 6 0.915 10.503 -4.450 42 HD3 PRO 6 HD3 PRO 6 0.601 10.183 -6.168 43 H SER 7 H SER 7 1.807 15.615 -6.667 44 HA SER 7 HA SER 7 1.842 16.425 -3.883 45 HB2 SER 7 HB2 SER 7 4.222 17.217 -5.535 46 HB3 SER 7 HB3 SER 7 4.036 17.226 -3.782 47 HG SER 7 HG SER 7 4.968 15.352 -3.855 48 H CYS 8 H CYS 8 0.280 16.907 -6.363 49 HA CYS 8 HA CYS 8 0.311 19.826 -6.217 50 HB2 CYS 8 HB2 CYS 8 1.539 18.692 -8.320 51 HB3 CYS 8 HB3 CYS 8 -0.115 18.683 -8.926 52 H GLN 9 H GLN 9 -1.676 20.786 -7.163 53 HA GLN 9 HA GLN 9 -3.953 18.923 -7.070 54 HB2 GLN 9 HB2 GLN 9 -3.826 21.676 -5.827 55 HB3 GLN 9 HB3 GLN 9 -5.258 20.657 -5.895 56 HG2 GLN 9 HG2 GLN 9 -2.863 19.446 -4.680 57 HG3 GLN 9 HG3 GLN 9 -3.606 20.774 -3.789 58 HE21 GLN 9 HE22 GLN 9 -4.877 20.027 -2.263 59 HE22 GLN 9 HE21 GLN 9 -5.946 18.676 -2.392 60 H LYS 10 H LYS 10 -5.991 20.019 -7.951 61 HA LYS 10 HA LYS 10 -7.105 20.941 -9.707 62 HB2 LYS 10 HB2 LYS 10 -5.384 22.927 -8.806 63 HB3 LYS 10 HB3 LYS 10 -5.090 22.874 -10.539 64 HG2 LYS 10 HG2 LYS 10 -7.824 22.810 -10.403 65 HG3 LYS 10 HG3 LYS 10 -7.393 23.868 -9.058 66 HD2 LYS 10 HD2 LYS 10 -6.184 24.232 -11.781 67 HD3 LYS 10 HD3 LYS 10 -7.755 24.927 -11.375 68 HE2 LYS 10 HE2 LYS 10 -5.415 25.380 -9.572 69 HE3 LYS 10 HE3 LYS 10 -5.575 26.326 -11.050 70 HZ1 LYS 10 HZ1 LYS 10 -7.457 27.361 -10.295 71 HZ2 LYS 10 HZ2 LYS 10 -6.611 27.173 -8.843 72 HZ3 LYS 10 HZ3 LYS 10 -7.871 26.113 -9.230 73 H GLY 11 H GLY 11 -6.361 21.936 -12.139 74 HA2 GLY 11 HA2 GLY 11 -5.797 19.671 -13.639 75 HA3 GLY 11 HA3 GLY 11 -5.621 21.319 -14.222 76 H TYR 12 H TYR 12 -3.604 21.801 -12.019 77 HA TYR 12 HA TYR 12 -1.292 21.252 -13.562 78 HB2 TYR 12 HB2 TYR 12 -1.715 22.291 -10.767 79 HB3 TYR 12 HB3 TYR 12 -0.101 22.012 -11.412 80 HD1 TYR 12 HD2 TYR 12 -3.264 23.609 -12.624 81 HD2 TYR 12 HD1 TYR 12 0.956 23.906 -12.171 82 HE1 TYR 12 HE2 TYR 12 -3.312 25.826 -13.688 83 HE2 TYR 12 HE1 TYR 12 0.920 26.125 -13.233 84 HH TYR 12 HH TYR 12 -1.196 28.030 -13.441 85 H PHE 13 H PHE 13 0.582 20.015 -12.867 86 HA PHE 13 HA PHE 13 0.079 17.850 -10.984 87 HB2 PHE 13 HB2 PHE 13 0.221 16.105 -12.463 88 HB3 PHE 13 HB3 PHE 13 -0.531 17.299 -13.515 89 HD1 PHE 13 HD2 PHE 13 1.223 18.855 -14.778 90 HD2 PHE 13 HD1 PHE 13 2.022 14.952 -13.279 91 HE1 PHE 13 HE2 PHE 13 3.088 18.630 -16.367 92 HE2 PHE 13 HE1 PHE 13 3.889 14.721 -14.865 93 HZ PHE 13 HZ PHE 13 4.423 16.561 -16.413 94 HA PRO 14 HA PRO 14 4.321 18.386 -9.993 95 HB2 PRO 14 HB2 PRO 14 4.983 15.887 -9.164 96 HB3 PRO 14 HB3 PRO 14 3.959 16.973 -8.218 97 HG2 PRO 14 HG2 PRO 14 3.170 14.710 -10.011 98 HG3 PRO 14 HG3 PRO 14 2.538 15.143 -8.412 99 HD2 PRO 14 HD2 PRO 14 1.247 15.771 -10.708 100 HD3 PRO 14 HD3 PRO 14 1.174 16.796 -9.260 101 H CYS 15 H CYS 15 6.315 18.250 -10.916 102 HA CYS 15 HA CYS 15 6.514 17.090 -13.521 103 HB2 CYS 15 HB2 CYS 15 8.122 18.866 -11.827 104 HB3 CYS 15 HB3 CYS 15 9.083 17.794 -12.840 105 H GLY 16 H GLY 16 6.048 14.856 -12.815 106 HA2 GLY 16 HA2 GLY 16 6.738 12.696 -12.465 107 HA3 GLY 16 HA3 GLY 16 8.359 13.267 -12.833 108 H ASN 17 H ASN 17 9.789 13.693 -11.185 109 HA ASN 17 HA ASN 17 8.890 12.859 -8.509 110 HB2 ASN 17 HB2 ASN 17 11.423 12.457 -10.027 111 HB3 ASN 17 HB3 ASN 17 11.537 12.633 -8.278 112 HD21 ASN 17 HD21 ASN 17 12.389 10.340 -9.118 113 HD22 ASN 17 HD22 ASN 17 11.249 9.066 -8.868 114 H LEU 18 H LEU 18 10.294 15.411 -10.352 115 HA LEU 18 HA LEU 18 11.599 16.859 -8.341 116 HB2 LEU 18 HB2 LEU 18 10.434 17.489 -10.995 117 HB3 LEU 18 HB3 LEU 18 10.784 18.842 -9.921 118 HG LEU 18 HG LEU 18 12.806 16.791 -10.821 119 HD11 LEU 18 HD11 LEU 18 13.474 18.180 -12.502 120 HD12 LEU 18 HD12 LEU 18 12.863 19.628 -11.702 121 HD13 LEU 18 HD13 LEU 18 11.744 18.524 -12.501 122 HD21 LEU 18 HD21 LEU 18 12.819 18.639 -8.686 123 HD22 LEU 18 HD22 LEU 18 13.902 19.269 -9.927 124 HD23 LEU 18 HD23 LEU 18 14.151 17.647 -9.279 125 H THR 19 H THR 19 10.717 19.225 -7.853 126 HA THR 19 HA THR 19 8.103 18.829 -6.565 127 HB THR 19 HB THR 19 9.983 19.326 -5.043 128 HG1 THR 19 HG1 THR 19 8.045 20.035 -4.273 129 HG21 THR 19 HG21 THR 19 10.089 22.135 -6.029 130 HG22 THR 19 HG22 THR 19 11.012 20.907 -6.895 131 HG23 THR 19 HG23 THR 19 11.313 21.190 -5.181 132 H LYS 20 H LYS 20 8.744 19.760 -9.384 133 HA LYS 20 HA LYS 20 7.677 22.478 -9.337 134 HB2 LYS 20 HB2 LYS 20 9.597 21.972 -10.804 135 HB3 LYS 20 HB3 LYS 20 8.617 20.794 -11.667 136 HG2 LYS 20 HG2 LYS 20 7.286 22.432 -12.644 137 HG3 LYS 20 HG3 LYS 20 7.766 23.657 -11.467 138 HD2 LYS 20 HD2 LYS 20 9.976 23.773 -12.414 139 HD3 LYS 20 HD3 LYS 20 9.627 22.423 -13.496 140 HE2 LYS 20 HE2 LYS 20 8.405 23.705 -14.918 141 HE3 LYS 20 HE3 LYS 20 7.806 24.752 -13.633 142 HZ1 LYS 20 HZ1 LYS 20 9.644 25.491 -15.415 143 HZ2 LYS 20 HZ2 LYS 20 10.648 24.939 -14.171 144 HZ3 LYS 20 HZ3 LYS 20 9.521 26.162 -13.867 145 H CYS 21 H CYS 21 5.834 23.074 -10.607 146 HA CYS 21 HA CYS 21 3.985 20.850 -11.164 147 HB2 CYS 21 HB2 CYS 21 3.590 23.280 -9.491 148 HB3 CYS 21 HB3 CYS 21 2.232 22.748 -10.477 149 H LEU 22 H LEU 22 3.220 20.851 -13.169 150 HA LEU 22 HA LEU 22 3.579 23.251 -14.808 151 HB2 LEU 22 HB2 LEU 22 3.323 20.336 -15.390 152 HB3 LEU 22 HB3 LEU 22 2.905 21.505 -16.640 153 HG LEU 22 HG LEU 22 5.550 21.817 -15.339 154 HD11 LEU 22 HD11 LEU 22 5.203 19.338 -15.743 155 HD12 LEU 22 HD12 LEU 22 6.600 20.077 -16.523 156 HD13 LEU 22 HD13 LEU 22 5.149 19.729 -17.462 157 HD21 LEU 22 HD21 LEU 22 4.876 23.365 -17.054 158 HD22 LEU 22 HD22 LEU 22 4.504 22.041 -18.159 159 HD23 LEU 22 HD23 LEU 22 6.174 22.347 -17.678 160 HA PRO 23 HA PRO 23 -0.704 24.148 -15.139 161 HB2 PRO 23 HB2 PRO 23 -0.916 24.934 -17.728 162 HB3 PRO 23 HB3 PRO 23 -0.124 25.914 -16.489 163 HG2 PRO 23 HG2 PRO 23 1.095 24.112 -18.545 164 HG3 PRO 23 HG3 PRO 23 1.609 25.728 -18.029 165 HD2 PRO 23 HD2 PRO 23 2.806 23.466 -17.143 166 HD3 PRO 23 HD3 PRO 23 2.666 24.927 -16.143 167 H ARG 24 H ARG 24 -2.704 23.674 -16.434 168 HA ARG 24 HA ARG 24 -2.872 20.858 -16.916 169 HB2 ARG 24 HB2 ARG 24 -5.216 21.200 -17.181 170 HB3 ARG 24 HB3 ARG 24 -4.687 22.266 -15.886 171 HG2 ARG 24 HG2 ARG 24 -5.849 23.826 -16.982 172 HG3 ARG 24 HG3 ARG 24 -4.446 23.892 -18.050 173 HD2 ARG 24 HD2 ARG 24 -6.267 23.657 -19.499 174 HD3 ARG 24 HD3 ARG 24 -5.596 22.032 -19.375 175 HE ARG 24 HE ARG 24 -7.554 22.232 -17.429 176 HH11 ARG 24 HH11 ARG 24 -7.349 22.408 -20.900 177 HH12 ARG 24 HH12 ARG 24 -8.955 21.811 -21.155 178 HH21 ARG 24 HH21 ARG 24 -9.671 21.445 -17.753 179 HH22 ARG 24 HH22 ARG 24 -10.275 21.264 -19.365 180 H ALA 25 H ALA 25 -2.537 23.700 -18.889 181 HA ALA 25 HA ALA 25 -3.399 22.586 -21.347 182 HB1 ALA 25 HB1 ALA 25 -3.097 24.662 -22.075 183 HB2 ALA 25 HB2 ALA 25 -2.532 25.084 -20.458 184 HB3 ALA 25 HB3 ALA 25 -1.374 24.605 -21.699 185 H PHE 26 H PHE 26 -0.655 22.018 -19.455 186 HA PHE 26 HA PHE 26 1.398 21.631 -21.259 187 HB2 PHE 26 HB2 PHE 26 2.484 20.473 -19.587 188 HB3 PHE 26 HB3 PHE 26 1.257 21.312 -18.643 189 HD1 PHE 26 HD2 PHE 26 -1.035 19.958 -18.455 190 HD2 PHE 26 HD1 PHE 26 2.794 18.244 -19.178 191 HE1 PHE 26 HE2 PHE 26 -1.841 17.802 -17.588 192 HE2 PHE 26 HE1 PHE 26 1.994 16.084 -18.312 193 HZ PHE 26 HZ PHE 26 -0.326 15.861 -17.514 194 H HIS 27 H HIS 27 -1.477 19.759 -20.788 195 HA HIS 27 HA HIS 27 -0.726 17.299 -21.847 196 HB2 HIS 27 HB2 HIS 27 -2.865 17.473 -20.825 197 HB3 HIS 27 HB3 HIS 27 -3.354 18.779 -21.902 198 HD1 HIS 27 HD1 HIS 27 -2.920 15.056 -21.789 199 HD2 HIS 27 HD2 HIS 27 -4.363 17.976 -24.368 200 HE1 HIS 27 HE1 HIS 27 -4.123 13.808 -23.611 201 H CYS 28 H CYS 28 0.516 17.250 -23.644 202 HA CYS 28 HA CYS 28 1.174 17.494 -25.812 203 HB2 CYS 28 HB2 CYS 28 -1.808 17.232 -25.994 204 HB3 CYS 28 HB3 CYS 28 -0.863 17.511 -27.452 205 H ASP 29 H ASP 29 2.125 19.540 -25.610 206 HA ASP 29 HA ASP 29 0.478 21.796 -26.543 207 HB2 ASP 29 HB2 ASP 29 2.145 23.263 -25.473 208 HB3 ASP 29 HB3 ASP 29 1.416 22.153 -24.316 209 H GLY 30 H GLY 30 3.462 20.015 -27.020 210 HA2 GLY 30 HA2 GLY 30 3.828 20.100 -29.625 211 HA3 GLY 30 HA3 GLY 30 4.229 21.766 -29.236 212 H LYS 31 H LYS 31 5.563 21.370 -26.809 213 HA LYS 31 HA LYS 31 7.772 19.556 -27.436 214 HB2 LYS 31 HB2 LYS 31 8.303 22.411 -26.630 215 HB3 LYS 31 HB3 LYS 31 9.454 21.217 -27.216 216 HG2 LYS 31 HG2 LYS 31 7.794 21.326 -29.325 217 HG3 LYS 31 HG3 LYS 31 7.615 22.969 -28.705 218 HD2 LYS 31 HD2 LYS 31 9.392 23.047 -30.263 219 HD3 LYS 31 HD3 LYS 31 10.143 23.090 -28.666 220 HE2 LYS 31 HE2 LYS 31 11.452 21.504 -29.650 221 HE3 LYS 31 HE3 LYS 31 10.176 20.467 -29.016 222 HZ1 LYS 31 HZ1 LYS 31 9.434 21.408 -31.562 223 HZ2 LYS 31 HZ2 LYS 31 9.705 19.815 -31.063 224 HZ3 LYS 31 HZ3 LYS 31 10.987 20.743 -31.660 225 H ASP 32 H ASP 32 9.495 19.978 -25.489 226 HA ASP 32 HA ASP 32 8.296 18.889 -23.207 227 HB2 ASP 32 HB2 ASP 32 10.947 20.330 -23.441 228 HB3 ASP 32 HB3 ASP 32 10.460 19.302 -22.097 229 H ASP 33 H ASP 33 7.646 19.730 -21.265 230 HA ASP 33 HA ASP 33 7.360 22.660 -21.172 231 HB2 ASP 33 HB2 ASP 33 5.674 20.687 -19.636 232 HB3 ASP 33 HB3 ASP 33 5.341 22.388 -19.952 233 H CYS 34 H CYS 34 8.370 19.809 -19.423 234 HA CYS 34 HA CYS 34 8.935 21.315 -17.004 235 HB2 CYS 34 HB2 CYS 34 8.076 18.882 -17.118 236 HB3 CYS 34 HB3 CYS 34 9.740 18.460 -17.510 237 H GLY 35 H GLY 35 10.898 19.118 -19.026 238 HA2 GLY 35 HA2 GLY 35 12.919 20.167 -20.067 239 HA3 GLY 35 HA3 GLY 35 13.201 20.891 -18.491 240 H ASN 36 H ASN 36 12.153 18.206 -17.367 241 HA ASN 36 HA ASN 36 14.787 16.955 -17.312 242 HB2 ASN 36 HB2 ASN 36 13.948 15.697 -15.398 243 HB3 ASN 36 HB3 ASN 36 13.634 17.416 -15.176 244 HD21 ASN 36 HD21 ASN 36 12.319 15.183 -13.922 245 HD22 ASN 36 HD22 ASN 36 10.647 15.290 -14.344 246 H GLY 37 H GLY 37 11.554 16.391 -18.476 247 HA2 GLY 37 HA2 GLY 37 11.267 14.906 -20.366 248 HA3 GLY 37 HA3 GLY 37 12.500 13.865 -19.669 249 H ALA 38 H ALA 38 9.666 15.357 -18.141 250 HA ALA 38 HA ALA 38 8.675 12.641 -17.557 251 HB1 ALA 38 HB1 ALA 38 9.598 14.329 -15.680 252 HB2 ALA 38 HB2 ALA 38 7.903 14.816 -15.721 253 HB3 ALA 38 HB3 ALA 38 8.331 13.139 -15.383 254 H ASP 39 H ASP 39 7.659 16.045 -17.838 255 HA ASP 39 HA ASP 39 4.907 15.540 -18.060 256 HB2 ASP 39 HB2 ASP 39 4.673 17.801 -18.677 257 HB3 ASP 39 HB3 ASP 39 6.100 17.773 -17.646 258 H GLU 40 H GLU 40 7.490 15.393 -20.389 259 HA GLU 40 HA GLU 40 6.145 15.619 -22.787 260 HB2 GLU 40 HB2 GLU 40 8.488 13.916 -21.971 261 HB3 GLU 40 HB3 GLU 40 7.882 13.915 -23.621 262 HG2 GLU 40 HG2 GLU 40 8.709 16.424 -22.195 263 HG3 GLU 40 HG3 GLU 40 9.827 15.442 -23.139 264 H GLU 41 H GLU 41 6.283 12.889 -20.577 265 HA GLU 41 HA GLU 41 5.041 11.017 -22.319 266 HB2 GLU 41 HB2 GLU 41 5.052 10.959 -19.300 267 HB3 GLU 41 HB3 GLU 41 4.848 9.595 -20.390 268 HG2 GLU 41 HG2 GLU 41 7.350 11.254 -20.229 269 HG3 GLU 41 HG3 GLU 41 7.093 9.760 -19.329 270 H ASN 42 H ASN 42 2.975 9.883 -21.014 271 HA ASN 42 HA ASN 42 0.726 9.992 -20.692 272 HB2 ASN 42 HB2 ASN 42 0.952 12.892 -19.946 273 HB3 ASN 42 HB3 ASN 42 -0.127 11.661 -19.296 274 HD21 ASN 42 HD21 ASN 42 1.115 9.778 -18.252 275 HD22 ASN 42 HD22 ASN 42 2.390 10.237 -17.180 276 H CYS 43 H CYS 43 2.126 11.030 -23.202 277 HA CYS 43 HA CYS 43 -0.299 11.888 -24.525 278 HB2 CYS 43 HB2 CYS 43 1.650 13.807 -23.715 279 HB3 CYS 43 HB3 CYS 43 1.705 13.679 -25.470 280 H GLY 44 H GLY 44 1.703 9.658 -24.532 281 HA2 GLY 44 HA2 GLY 44 1.958 8.251 -26.477 282 HA3 GLY 44 HA3 GLY 44 2.211 9.703 -27.435 Start of MODEL 11 1 H1 GLY 1 H GLY 1 15.802 12.222 3.035 2 HA2 GLY 1 HA2 GLY 1 14.399 13.329 4.896 3 HA3 GLY 1 HA3 GLY 1 15.958 13.958 5.406 4 H SER 2 H SER 2 14.108 13.677 2.367 5 HA SER 2 HA SER 2 15.208 16.147 1.381 6 HB2 SER 2 HB2 SER 2 14.313 13.969 0.105 7 HB3 SER 2 HB3 SER 2 12.831 14.924 0.072 8 HG SER 2 HG SER 2 15.281 15.380 -1.179 9 H MET 3 H MET 3 13.736 17.875 0.529 10 HA MET 3 HA MET 3 11.550 18.368 2.443 11 HB2 MET 3 HB2 MET 3 13.681 20.146 1.350 12 HB3 MET 3 HB3 MET 3 12.111 20.852 1.708 13 HG2 MET 3 HG2 MET 3 12.435 19.628 4.002 14 HG3 MET 3 HG3 MET 3 14.137 19.696 3.550 15 HE1 MET 3 HE1 MET 3 11.566 20.963 5.401 16 HE2 MET 3 HE2 MET 3 12.942 21.573 6.321 17 HE3 MET 3 HE3 MET 3 11.765 22.699 5.642 18 H ILE 4 H ILE 4 9.577 18.613 1.622 19 HA ILE 4 HA ILE 4 9.286 19.486 -1.165 20 HB ILE 4 HB ILE 4 7.440 17.821 -1.455 21 HG12 ILE 4 HG12 ILE 4 8.632 16.217 0.767 22 HG13 ILE 4 HG13 ILE 4 7.454 17.462 1.168 23 HG21 ILE 4 HG21 ILE 4 10.317 17.233 -1.312 24 HG22 ILE 4 HG22 ILE 4 9.261 15.823 -1.383 25 HG23 ILE 4 HG23 ILE 4 9.183 17.047 -2.650 26 HD11 ILE 4 HD11 ILE 4 6.329 16.041 -0.949 27 HD12 ILE 4 HD12 ILE 4 7.041 14.827 0.115 28 HD13 ILE 4 HD13 ILE 4 5.870 15.981 0.753 29 H THR 5 H THR 5 7.433 20.652 -1.620 30 HA THR 5 HA THR 5 5.426 21.025 0.450 31 HB THR 5 HB THR 5 5.698 23.602 0.044 32 HG1 THR 5 HG1 THR 5 7.382 23.669 -1.371 33 HG21 THR 5 HG21 THR 5 7.761 22.319 1.812 34 HG22 THR 5 HG22 THR 5 6.039 22.213 2.177 35 HG23 THR 5 HG23 THR 5 6.826 23.788 2.090 36 HA PRO 6 HA PRO 6 3.884 21.136 -3.950 37 HB2 PRO 6 HB2 PRO 6 1.967 19.248 -3.586 38 HB3 PRO 6 HB3 PRO 6 3.632 18.854 -4.029 39 HG2 PRO 6 HG2 PRO 6 2.317 18.774 -1.341 40 HG3 PRO 6 HG3 PRO 6 3.423 17.601 -2.081 41 HD2 PRO 6 HD2 PRO 6 4.240 19.417 -0.246 42 HD3 PRO 6 HD3 PRO 6 5.292 18.844 -1.555 43 H SER 7 H SER 7 2.444 22.665 -4.423 44 HA SER 7 HA SER 7 0.145 23.054 -2.625 45 HB2 SER 7 HB2 SER 7 1.162 25.468 -3.989 46 HB3 SER 7 HB3 SER 7 0.552 25.271 -2.347 47 HG SER 7 HG SER 7 3.091 25.358 -3.196 48 H CYS 8 H CYS 8 0.460 21.624 -5.191 49 HA CYS 8 HA CYS 8 -1.460 23.188 -6.790 50 HB2 CYS 8 HB2 CYS 8 -0.551 21.841 -8.755 51 HB3 CYS 8 HB3 CYS 8 0.510 23.082 -8.095 52 H GLN 9 H GLN 9 -3.342 22.235 -7.313 53 HA GLN 9 HA GLN 9 -3.627 19.349 -7.191 54 HB2 GLN 9 HB2 GLN 9 -5.588 19.498 -5.662 55 HB3 GLN 9 HB3 GLN 9 -4.061 19.910 -4.892 56 HG2 GLN 9 HG2 GLN 9 -4.756 21.956 -4.384 57 HG3 GLN 9 HG3 GLN 9 -5.383 22.234 -6.008 58 HE21 GLN 9 HE22 GLN 9 -6.139 20.380 -3.079 59 HE22 GLN 9 HE21 GLN 9 -7.845 20.641 -3.147 60 H LYS 10 H LYS 10 -5.191 18.587 -8.529 61 HA LYS 10 HA LYS 10 -6.766 18.562 -10.171 62 HB2 LYS 10 HB2 LYS 10 -7.900 20.003 -8.198 63 HB3 LYS 10 HB3 LYS 10 -7.866 21.223 -9.464 64 HG2 LYS 10 HG2 LYS 10 -8.840 18.709 -10.482 65 HG3 LYS 10 HG3 LYS 10 -9.778 19.241 -9.085 66 HD2 LYS 10 HD2 LYS 10 -10.870 20.243 -10.882 67 HD3 LYS 10 HD3 LYS 10 -9.830 21.531 -10.269 68 HE2 LYS 10 HE2 LYS 10 -8.977 21.728 -12.311 69 HE3 LYS 10 HE3 LYS 10 -8.278 20.120 -12.123 70 HZ1 LYS 10 HZ1 LYS 10 -9.848 19.186 -13.421 71 HZ2 LYS 10 HZ2 LYS 10 -9.958 20.745 -14.068 72 HZ3 LYS 10 HZ3 LYS 10 -11.078 20.230 -12.909 73 H GLY 11 H GLY 11 -5.805 18.771 -12.099 74 HA2 GLY 11 HA2 GLY 11 -5.683 20.055 -14.121 75 HA3 GLY 11 HA3 GLY 11 -5.466 21.500 -13.145 76 H TYR 12 H TYR 12 -3.424 21.148 -11.583 77 HA TYR 12 HA TYR 12 -1.196 20.864 -13.412 78 HB2 TYR 12 HB2 TYR 12 -1.454 21.842 -10.574 79 HB3 TYR 12 HB3 TYR 12 0.116 21.604 -11.333 80 HD1 TYR 12 HD1 TYR 12 -3.147 23.176 -12.285 81 HD2 TYR 12 HD2 TYR 12 1.090 23.529 -12.126 82 HE1 TYR 12 HE1 TYR 12 -3.302 25.415 -13.291 83 HE2 TYR 12 HE2 TYR 12 0.947 25.769 -13.131 84 HH TYR 12 HH TYR 12 -2.082 27.050 -14.342 85 H PHE 13 H PHE 13 0.726 19.633 -12.848 86 HA PHE 13 HA PHE 13 0.301 17.395 -11.017 87 HB2 PHE 13 HB2 PHE 13 0.495 15.724 -12.573 88 HB3 PHE 13 HB3 PHE 13 -0.289 16.943 -13.572 89 HD1 PHE 13 HD1 PHE 13 1.339 18.549 -14.851 90 HD2 PHE 13 HD2 PHE 13 2.412 14.716 -13.344 91 HE1 PHE 13 HE1 PHE 13 3.211 18.450 -16.444 92 HE2 PHE 13 HE2 PHE 13 4.286 14.611 -14.934 93 HZ PHE 13 HZ PHE 13 4.689 16.480 -16.486 94 HA PRO 14 HA PRO 14 4.522 18.024 -9.987 95 HB2 PRO 14 HB2 PRO 14 5.243 15.519 -9.229 96 HB3 PRO 14 HB3 PRO 14 4.188 16.551 -8.256 97 HG2 PRO 14 HG2 PRO 14 3.463 14.322 -10.118 98 HG3 PRO 14 HG3 PRO 14 2.814 14.692 -8.509 99 HD2 PRO 14 HD2 PRO 14 1.517 15.356 -10.792 100 HD3 PRO 14 HD3 PRO 14 1.412 16.335 -9.315 101 H CYS 15 H CYS 15 6.458 18.060 -10.993 102 HA CYS 15 HA CYS 15 6.706 16.896 -13.587 103 HB2 CYS 15 HB2 CYS 15 8.138 18.841 -11.969 104 HB3 CYS 15 HB3 CYS 15 9.240 17.780 -12.840 105 H GLY 16 H GLY 16 6.474 14.638 -13.054 106 HA2 GLY 16 HA2 GLY 16 7.320 12.531 -12.718 107 HA3 GLY 16 HA3 GLY 16 8.903 13.248 -12.978 108 H ASN 17 H ASN 17 10.214 13.690 -11.249 109 HA ASN 17 HA ASN 17 9.170 12.925 -8.602 110 HB2 ASN 17 HB2 ASN 17 11.204 11.662 -10.072 111 HB3 ASN 17 HB3 ASN 17 12.031 12.577 -8.815 112 HD21 ASN 17 HD21 ASN 17 12.550 11.191 -7.282 113 HD22 ASN 17 HD22 ASN 17 11.487 10.036 -6.559 114 H LEU 18 H LEU 18 9.832 15.531 -10.212 115 HA LEU 18 HA LEU 18 11.708 16.799 -8.385 116 HB2 LEU 18 HB2 LEU 18 10.460 17.491 -10.985 117 HB3 LEU 18 HB3 LEU 18 10.929 18.824 -9.931 118 HG LEU 18 HG LEU 18 12.773 16.677 -10.980 119 HD11 LEU 18 HD11 LEU 18 13.761 18.793 -12.108 120 HD12 LEU 18 HD12 LEU 18 12.149 19.464 -11.861 121 HD13 LEU 18 HD13 LEU 18 12.357 18.002 -12.825 122 HD21 LEU 18 HD21 LEU 18 14.524 18.263 -10.090 123 HD22 LEU 18 HD22 LEU 18 13.598 17.379 -8.876 124 HD23 LEU 18 HD23 LEU 18 13.224 19.070 -9.213 125 H THR 19 H THR 19 10.982 19.207 -7.858 126 HA THR 19 HA THR 19 8.449 18.940 -6.399 127 HB THR 19 HB THR 19 10.439 19.461 -5.043 128 HG1 THR 19 HG1 THR 19 9.232 20.721 -3.823 129 HG21 THR 19 HG21 THR 19 11.727 20.716 -6.685 130 HG22 THR 19 HG22 THR 19 11.485 21.685 -5.232 131 HG23 THR 19 HG23 THR 19 10.521 22.002 -6.675 132 H LYS 20 H LYS 20 8.801 19.698 -9.287 133 HA LYS 20 HA LYS 20 7.637 22.399 -9.211 134 HB2 LYS 20 HB2 LYS 20 9.635 22.204 -10.603 135 HB3 LYS 20 HB3 LYS 20 8.898 20.886 -11.506 136 HG2 LYS 20 HG2 LYS 20 7.337 22.315 -12.526 137 HG3 LYS 20 HG3 LYS 20 7.670 23.622 -11.387 138 HD2 LYS 20 HD2 LYS 20 10.002 23.704 -12.313 139 HD3 LYS 20 HD3 LYS 20 9.475 22.573 -13.562 140 HE2 LYS 20 HE2 LYS 20 8.925 24.395 -14.736 141 HE3 LYS 20 HE3 LYS 20 7.537 24.510 -13.655 142 HZ1 LYS 20 HZ1 LYS 20 10.125 25.938 -13.435 143 HZ2 LYS 20 HZ2 LYS 20 8.993 25.891 -12.180 144 HZ3 LYS 20 HZ3 LYS 20 8.587 26.608 -13.657 145 H CYS 21 H CYS 21 5.768 22.858 -10.456 146 HA CYS 21 HA CYS 21 4.194 20.491 -11.228 147 HB2 CYS 21 HB2 CYS 21 3.643 22.306 -9.126 148 HB3 CYS 21 HB3 CYS 21 2.479 22.640 -10.404 149 H LEU 22 H LEU 22 3.276 20.567 -13.187 150 HA LEU 22 HA LEU 22 3.567 23.046 -14.727 151 HB2 LEU 22 HB2 LEU 22 3.392 20.153 -15.443 152 HB3 LEU 22 HB3 LEU 22 2.942 21.371 -16.634 153 HG LEU 22 HG LEU 22 5.583 21.673 -15.317 154 HD11 LEU 22 HD11 LEU 22 6.667 20.035 -16.614 155 HD12 LEU 22 HD12 LEU 22 5.215 19.709 -17.561 156 HD13 LEU 22 HD13 LEU 22 5.293 19.217 -15.869 157 HD21 LEU 22 HD21 LEU 22 4.587 22.008 -18.145 158 HD22 LEU 22 HD22 LEU 22 6.202 22.416 -17.566 159 HD23 LEU 22 HD23 LEU 22 4.798 23.293 -16.956 160 HA PRO 23 HA PRO 23 -0.747 23.815 -14.973 161 HB2 PRO 23 HB2 PRO 23 -1.003 24.742 -17.511 162 HB3 PRO 23 HB3 PRO 23 -0.235 25.675 -16.221 163 HG2 PRO 23 HG2 PRO 23 1.030 24.037 -18.384 164 HG3 PRO 23 HG3 PRO 23 1.492 25.637 -17.777 165 HD2 PRO 23 HD2 PRO 23 2.771 23.370 -17.029 166 HD3 PRO 23 HD3 PRO 23 2.588 24.765 -15.946 167 H ARG 24 H ARG 24 -2.745 23.307 -16.208 168 HA ARG 24 HA ARG 24 -2.790 20.534 -16.907 169 HB2 ARG 24 HB2 ARG 24 -5.158 20.772 -17.067 170 HB3 ARG 24 HB3 ARG 24 -4.633 21.755 -15.706 171 HG2 ARG 24 HG2 ARG 24 -5.969 23.291 -16.651 172 HG3 ARG 24 HG3 ARG 24 -4.557 23.595 -17.665 173 HD2 ARG 24 HD2 ARG 24 -5.931 23.220 -19.389 174 HD3 ARG 24 HD3 ARG 24 -5.781 21.516 -18.962 175 HE ARG 24 HE ARG 24 -7.825 22.506 -17.404 176 HH11 ARG 24 HH11 ARG 24 -7.148 22.208 -20.806 177 HH12 ARG 24 HH12 ARG 24 -8.815 22.067 -21.259 178 HH21 ARG 24 HH21 ARG 24 -10.023 22.321 -17.987 179 HH22 ARG 24 HH22 ARG 24 -10.449 22.132 -19.654 180 H ALA 25 H ALA 25 -2.422 23.465 -18.647 181 HA ALA 25 HA ALA 25 -3.420 22.564 -21.164 182 HB1 ALA 25 HB1 ALA 25 -3.133 24.687 -21.754 183 HB2 ALA 25 HB2 ALA 25 -2.569 24.991 -20.110 184 HB3 ALA 25 HB3 ALA 25 -1.409 24.624 -21.386 185 H PHE 26 H PHE 26 -0.615 21.875 -19.404 186 HA PHE 26 HA PHE 26 1.356 21.629 -21.344 187 HB2 PHE 26 HB2 PHE 26 2.565 20.440 -19.780 188 HB3 PHE 26 HB3 PHE 26 1.390 21.236 -18.738 189 HD1 PHE 26 HD2 PHE 26 -0.908 19.811 -18.557 190 HD2 PHE 26 HD1 PHE 26 2.971 18.238 -19.331 191 HE1 PHE 26 HE2 PHE 26 -1.627 17.622 -17.696 192 HE2 PHE 26 HE1 PHE 26 2.257 16.046 -18.472 193 HZ PHE 26 HZ PHE 26 -0.044 15.736 -17.652 194 H HIS 27 H HIS 27 -1.484 19.751 -20.839 195 HA HIS 27 HA HIS 27 -0.772 17.301 -21.951 196 HB2 HIS 27 HB2 HIS 27 -2.893 17.491 -20.881 197 HB3 HIS 27 HB3 HIS 27 -3.392 18.800 -21.948 198 HD1 HIS 27 HD1 HIS 27 -5.242 17.913 -23.325 199 HD2 HIS 27 HD2 HIS 27 -2.161 15.156 -22.917 200 HE1 HIS 27 HE1 HIS 27 -5.901 15.952 -24.755 201 H CYS 28 H CYS 28 0.416 17.244 -23.778 202 HA CYS 28 HA CYS 28 1.035 17.513 -25.955 203 HB2 CYS 28 HB2 CYS 28 -1.950 17.299 -26.056 204 HB3 CYS 28 HB3 CYS 28 -1.062 17.640 -27.538 205 H ASP 29 H ASP 29 2.043 19.529 -25.735 206 HA ASP 29 HA ASP 29 0.436 21.846 -26.588 207 HB2 ASP 29 HB2 ASP 29 2.325 23.200 -25.588 208 HB3 ASP 29 HB3 ASP 29 1.360 22.283 -24.435 209 H GLY 30 H GLY 30 3.393 20.028 -27.141 210 HA2 GLY 30 HA2 GLY 30 4.055 19.828 -29.510 211 HA3 GLY 30 HA3 GLY 30 3.758 21.555 -29.646 212 H LYS 31 H LYS 31 5.248 20.417 -26.758 213 HA LYS 31 HA LYS 31 7.939 20.397 -27.508 214 HB2 LYS 31 HB2 LYS 31 8.583 22.655 -26.542 215 HB3 LYS 31 HB3 LYS 31 7.813 22.678 -28.123 216 HG2 LYS 31 HG2 LYS 31 5.772 23.449 -27.228 217 HG3 LYS 31 HG3 LYS 31 6.284 23.105 -25.574 218 HD2 LYS 31 HD2 LYS 31 6.407 25.485 -25.988 219 HD3 LYS 31 HD3 LYS 31 8.035 24.833 -25.790 220 HE2 LYS 31 HE2 LYS 31 8.622 25.354 -27.892 221 HE3 LYS 31 HE3 LYS 31 7.077 24.824 -28.554 222 HZ1 LYS 31 HZ1 LYS 31 6.916 27.246 -27.003 223 HZ2 LYS 31 HZ2 LYS 31 6.275 26.894 -28.528 224 HZ3 LYS 31 HZ3 LYS 31 7.886 27.388 -28.382 225 H ASP 32 H ASP 32 9.394 20.906 -25.521 226 HA ASP 32 HA ASP 32 8.236 19.472 -23.285 227 HB2 ASP 32 HB2 ASP 32 11.027 20.571 -23.300 228 HB3 ASP 32 HB3 ASP 32 10.416 19.098 -22.552 229 H ASP 33 H ASP 33 7.855 20.264 -21.266 230 HA ASP 33 HA ASP 33 8.242 23.162 -20.890 231 HB2 ASP 33 HB2 ASP 33 6.007 21.533 -19.676 232 HB3 ASP 33 HB3 ASP 33 6.170 23.287 -19.703 233 H CYS 34 H CYS 34 8.280 19.974 -19.426 234 HA CYS 34 HA CYS 34 8.958 20.875 -16.802 235 HB2 CYS 34 HB2 CYS 34 7.887 18.655 -17.381 236 HB3 CYS 34 HB3 CYS 34 9.464 18.133 -17.965 237 H GLY 35 H GLY 35 10.891 19.016 -19.165 238 HA2 GLY 35 HA2 GLY 35 13.077 19.823 -19.853 239 HA3 GLY 35 HA3 GLY 35 13.254 20.532 -18.255 240 H ASN 36 H ASN 36 11.963 17.900 -17.253 241 HA ASN 36 HA ASN 36 14.513 16.520 -16.945 242 HB2 ASN 36 HB2 ASN 36 13.382 16.885 -14.882 243 HB3 ASN 36 HB3 ASN 36 11.858 16.285 -15.531 244 HD21 ASN 36 HD21 ASN 36 11.559 14.703 -14.028 245 HD22 ASN 36 HD22 ASN 36 12.565 13.303 -13.907 246 H GLY 37 H GLY 37 11.339 16.065 -18.350 247 HA2 GLY 37 HA2 GLY 37 11.150 14.628 -20.293 248 HA3 GLY 37 HA3 GLY 37 12.318 13.550 -19.543 249 H ALA 38 H ALA 38 9.495 15.053 -18.034 250 HA ALA 38 HA ALA 38 8.339 12.360 -17.710 251 HB1 ALA 38 HB1 ALA 38 8.101 14.592 -15.704 252 HB2 ALA 38 HB2 ALA 38 7.616 12.907 -15.509 253 HB3 ALA 38 HB3 ALA 38 9.326 13.326 -15.618 254 H ASP 39 H ASP 39 7.742 15.795 -18.155 255 HA ASP 39 HA ASP 39 4.889 15.525 -18.277 256 HB2 ASP 39 HB2 ASP 39 4.834 17.844 -18.736 257 HB3 ASP 39 HB3 ASP 39 6.193 17.626 -17.638 258 H GLU 40 H GLU 40 7.511 15.260 -20.518 259 HA GLU 40 HA GLU 40 6.151 15.774 -22.921 260 HB2 GLU 40 HB2 GLU 40 8.606 14.223 -22.192 261 HB3 GLU 40 HB3 GLU 40 7.961 14.098 -23.823 262 HG2 GLU 40 HG2 GLU 40 8.817 16.633 -22.446 263 HG3 GLU 40 HG3 GLU 40 9.711 15.773 -23.698 264 H GLU 41 H GLU 41 6.128 13.044 -20.793 265 HA GLU 41 HA GLU 41 5.076 11.183 -22.708 266 HB2 GLU 41 HB2 GLU 41 4.982 10.970 -19.698 267 HB3 GLU 41 HB3 GLU 41 4.862 9.660 -20.864 268 HG2 GLU 41 HG2 GLU 41 7.306 11.380 -20.547 269 HG3 GLU 41 HG3 GLU 41 7.061 9.856 -19.694 270 H ASN 42 H ASN 42 3.002 9.943 -21.464 271 HA ASN 42 HA ASN 42 0.744 9.988 -21.199 272 HB2 ASN 42 HB2 ASN 42 1.060 12.867 -20.340 273 HB3 ASN 42 HB3 ASN 42 -0.242 11.758 -19.919 274 HD21 ASN 42 HD21 ASN 42 2.729 13.032 -19.011 275 HD22 ASN 42 HD22 ASN 42 3.066 11.973 -17.688 276 H CYS 43 H CYS 43 2.162 11.063 -23.664 277 HA CYS 43 HA CYS 43 -0.247 11.912 -25.023 278 HB2 CYS 43 HB2 CYS 43 1.792 13.811 -24.239 279 HB3 CYS 43 HB3 CYS 43 1.638 13.747 -25.992 280 H GLY 44 H GLY 44 1.858 9.733 -24.987 281 HA2 GLY 44 HA2 GLY 44 2.686 9.932 -27.815 282 HA3 GLY 44 HA3 GLY 44 3.547 9.003 -26.596 Start of MODEL 12 1 H1 GLY 1 H GLY 1 2.325 0.277 -8.959 2 HA2 GLY 1 HA2 GLY 1 2.950 2.065 -7.660 3 HA3 GLY 1 HA3 GLY 1 1.607 2.945 -8.374 4 H SER 2 H SER 2 -0.598 2.297 -7.482 5 HA SER 2 HA SER 2 -2.038 2.222 -5.722 6 HB2 SER 2 HB2 SER 2 -0.101 0.155 -5.213 7 HB3 SER 2 HB3 SER 2 -0.610 0.880 -3.688 8 HG SER 2 HG SER 2 -2.058 -0.614 -5.523 9 H MET 3 H MET 3 -2.357 2.965 -3.459 10 HA MET 3 HA MET 3 -2.132 4.547 -1.841 11 HB2 MET 3 HB2 MET 3 0.840 4.330 -2.333 12 HB3 MET 3 HB3 MET 3 0.043 4.901 -0.873 13 HG2 MET 3 HG2 MET 3 -0.943 2.316 -1.357 14 HG3 MET 3 HG3 MET 3 0.800 2.247 -1.603 15 HE1 MET 3 HE1 MET 3 2.459 3.265 -0.070 16 HE2 MET 3 HE2 MET 3 1.739 4.613 0.810 17 HE3 MET 3 HE3 MET 3 2.344 3.208 1.689 18 H ILE 4 H ILE 4 -3.099 5.921 -3.584 19 HA ILE 4 HA ILE 4 -1.606 7.645 -5.195 20 HB ILE 4 HB ILE 4 -3.623 9.093 -5.228 21 HG12 ILE 4 HG12 ILE 4 -5.485 7.426 -3.909 22 HG13 ILE 4 HG13 ILE 4 -4.159 7.682 -2.779 23 HG21 ILE 4 HG21 ILE 4 -4.716 7.698 -6.643 24 HG22 ILE 4 HG22 ILE 4 -3.253 6.740 -6.425 25 HG23 ILE 4 HG23 ILE 4 -4.705 6.353 -5.504 26 HD11 ILE 4 HD11 ILE 4 -5.447 9.968 -4.219 27 HD12 ILE 4 HD12 ILE 4 -6.115 9.314 -2.723 28 HD13 ILE 4 HD13 ILE 4 -4.485 9.987 -2.741 29 H THR 5 H THR 5 -0.379 9.353 -4.766 30 HA THR 5 HA THR 5 -0.949 11.140 -2.584 31 HB THR 5 HB THR 5 1.686 9.662 -2.507 32 HG1 THR 5 HG1 THR 5 0.688 8.223 -1.332 33 HG21 THR 5 HG21 THR 5 1.150 12.134 -1.561 34 HG22 THR 5 HG22 THR 5 2.303 11.030 -0.812 35 HG23 THR 5 HG23 THR 5 0.663 11.157 -0.177 36 HA PRO 6 HA PRO 6 1.162 12.950 -6.317 37 HB2 PRO 6 HB2 PRO 6 -0.667 14.919 -6.696 38 HB3 PRO 6 HB3 PRO 6 -0.839 13.303 -7.389 39 HG2 PRO 6 HG2 PRO 6 -2.103 14.453 -4.932 40 HG3 PRO 6 HG3 PRO 6 -2.830 13.445 -6.197 41 HD2 PRO 6 HD2 PRO 6 -2.039 12.441 -3.809 42 HD3 PRO 6 HD3 PRO 6 -1.975 11.496 -5.311 43 H SER 7 H SER 7 1.830 15.274 -6.610 44 HA SER 7 HA SER 7 2.188 16.582 -3.992 45 HB2 SER 7 HB2 SER 7 4.160 16.475 -6.288 46 HB3 SER 7 HB3 SER 7 4.399 17.339 -4.769 47 HG SER 7 HG SER 7 4.275 15.319 -3.698 48 H CYS 8 H CYS 8 0.154 16.996 -6.114 49 HA CYS 8 HA CYS 8 0.321 19.869 -6.197 50 HB2 CYS 8 HB2 CYS 8 1.538 18.721 -8.292 51 HB3 CYS 8 HB3 CYS 8 -0.117 18.696 -8.893 52 H GLN 9 H GLN 9 -1.664 20.836 -7.136 53 HA GLN 9 HA GLN 9 -3.953 18.990 -7.021 54 HB2 GLN 9 HB2 GLN 9 -5.239 20.766 -5.866 55 HB3 GLN 9 HB3 GLN 9 -3.880 20.179 -4.916 56 HG2 GLN 9 HG2 GLN 9 -2.853 22.166 -4.921 57 HG3 GLN 9 HG3 GLN 9 -3.271 22.493 -6.602 58 HE21 GLN 9 HE22 GLN 9 -4.625 22.397 -3.342 59 HE22 GLN 9 HE21 GLN 9 -5.773 23.664 -3.589 60 H LYS 10 H LYS 10 -5.988 20.096 -7.899 61 HA LYS 10 HA LYS 10 -7.103 21.013 -9.657 62 HB2 LYS 10 HB2 LYS 10 -5.318 22.984 -8.801 63 HB3 LYS 10 HB3 LYS 10 -5.110 22.925 -10.546 64 HG2 LYS 10 HG2 LYS 10 -7.742 22.975 -10.524 65 HG3 LYS 10 HG3 LYS 10 -7.482 23.711 -8.941 66 HD2 LYS 10 HD2 LYS 10 -6.231 24.674 -11.512 67 HD3 LYS 10 HD3 LYS 10 -7.679 25.367 -10.778 68 HE2 LYS 10 HE2 LYS 10 -6.449 26.048 -8.842 69 HE3 LYS 10 HE3 LYS 10 -5.018 25.169 -9.377 70 HZ1 LYS 10 HZ1 LYS 10 -4.837 27.550 -9.793 71 HZ2 LYS 10 HZ2 LYS 10 -6.215 27.501 -10.773 72 HZ3 LYS 10 HZ3 LYS 10 -4.815 26.674 -11.241 73 H GLY 11 H GLY 11 -6.364 21.979 -12.101 74 HA2 GLY 11 HA2 GLY 11 -5.825 19.694 -13.582 75 HA3 GLY 11 HA3 GLY 11 -5.645 21.335 -14.184 76 H TYR 12 H TYR 12 -3.611 21.818 -11.990 77 HA TYR 12 HA TYR 12 -1.312 21.259 -13.545 78 HB2 TYR 12 HB2 TYR 12 -1.714 22.296 -10.748 79 HB3 TYR 12 HB3 TYR 12 -0.105 22.008 -11.400 80 HD1 TYR 12 HD1 TYR 12 -3.264 23.623 -12.599 81 HD2 TYR 12 HD2 TYR 12 0.959 23.897 -12.162 82 HE1 TYR 12 HE1 TYR 12 -3.305 25.841 -13.660 83 HE2 TYR 12 HE2 TYR 12 0.930 26.117 -13.221 84 HH TYR 12 HH TYR 12 -2.117 27.650 -14.192 85 H PHE 13 H PHE 13 0.562 20.014 -12.860 86 HA PHE 13 HA PHE 13 0.058 17.845 -10.980 87 HB2 PHE 13 HB2 PHE 13 0.187 16.104 -12.465 88 HB3 PHE 13 HB3 PHE 13 -0.561 17.305 -13.513 89 HD1 PHE 13 HD2 PHE 13 1.219 18.866 -14.754 90 HD2 PHE 13 HD1 PHE 13 1.962 14.933 -13.307 91 HE1 PHE 13 HE2 PHE 13 3.080 18.636 -16.346 92 HE2 PHE 13 HE1 PHE 13 3.825 14.697 -14.896 93 HZ PHE 13 HZ PHE 13 4.386 16.549 -16.419 94 HA PRO 14 HA PRO 14 4.305 18.362 -10.001 95 HB2 PRO 14 HB2 PRO 14 4.961 15.857 -9.185 96 HB3 PRO 14 HB3 PRO 14 3.943 16.942 -8.231 97 HG2 PRO 14 HG2 PRO 14 3.141 14.689 -10.031 98 HG3 PRO 14 HG3 PRO 14 2.515 15.118 -8.428 99 HD2 PRO 14 HD2 PRO 14 1.220 15.760 -10.717 100 HD3 PRO 14 HD3 PRO 14 1.154 16.779 -9.265 101 H CYS 15 H CYS 15 6.306 18.205 -10.915 102 HA CYS 15 HA CYS 15 6.492 17.071 -13.533 103 HB2 CYS 15 HB2 CYS 15 8.136 18.796 -11.811 104 HB3 CYS 15 HB3 CYS 15 9.064 17.741 -12.870 105 H GLY 16 H GLY 16 5.987 14.838 -12.811 106 HA2 GLY 16 HA2 GLY 16 6.655 12.667 -12.484 107 HA3 GLY 16 HA3 GLY 16 8.279 13.218 -12.866 108 H ASN 17 H ASN 17 9.727 13.636 -11.226 109 HA ASN 17 HA ASN 17 8.846 12.791 -8.548 110 HB2 ASN 17 HB2 ASN 17 11.357 12.372 -10.093 111 HB3 ASN 17 HB3 ASN 17 11.497 12.548 -8.346 112 HD21 ASN 17 HD21 ASN 17 11.424 10.733 -7.257 113 HD22 ASN 17 HD22 ASN 17 10.625 9.280 -7.742 114 H LEU 18 H LEU 18 10.205 15.356 -10.387 115 HA LEU 18 HA LEU 18 11.549 16.779 -8.371 116 HB2 LEU 18 HB2 LEU 18 10.391 17.427 -11.024 117 HB3 LEU 18 HB3 LEU 18 10.752 18.773 -9.945 118 HG LEU 18 HG LEU 18 12.738 16.716 -10.911 119 HD11 LEU 18 HD11 LEU 18 12.216 19.564 -11.733 120 HD12 LEU 18 HD12 LEU 18 12.141 18.118 -12.739 121 HD13 LEU 18 HD13 LEU 18 13.694 18.685 -12.125 122 HD21 LEU 18 HD21 LEU 18 12.969 19.098 -9.095 123 HD22 LEU 18 HD22 LEU 18 14.357 18.430 -9.954 124 HD23 LEU 18 HD23 LEU 18 13.473 17.433 -8.798 125 H THR 19 H THR 19 10.686 19.151 -7.877 126 HA THR 19 HA THR 19 8.068 18.773 -6.593 127 HB THR 19 HB THR 19 9.927 19.245 -5.053 128 HG1 THR 19 HG1 THR 19 7.632 20.259 -4.960 129 HG21 THR 19 HG21 THR 19 11.331 20.570 -6.557 130 HG22 THR 19 HG22 THR 19 11.004 21.447 -5.062 131 HG23 THR 19 HG23 THR 19 10.136 21.866 -6.539 132 H LYS 20 H LYS 20 8.718 19.707 -9.407 133 HA LYS 20 HA LYS 20 7.681 22.435 -9.356 134 HB2 LYS 20 HB2 LYS 20 9.579 21.947 -10.831 135 HB3 LYS 20 HB3 LYS 20 8.624 20.729 -11.668 136 HG2 LYS 20 HG2 LYS 20 7.206 22.346 -12.623 137 HG3 LYS 20 HG3 LYS 20 7.793 23.611 -11.540 138 HD2 LYS 20 HD2 LYS 20 9.762 23.880 -12.705 139 HD3 LYS 20 HD3 LYS 20 9.723 22.241 -13.357 140 HE2 LYS 20 HE2 LYS 20 9.194 23.489 -15.219 141 HE3 LYS 20 HE3 LYS 20 7.593 23.089 -14.599 142 HZ1 LYS 20 HZ1 LYS 20 9.039 25.658 -14.440 143 HZ2 LYS 20 HZ2 LYS 20 7.774 25.304 -13.374 144 HZ3 LYS 20 HZ3 LYS 20 7.487 25.352 -15.040 145 H CYS 21 H CYS 21 5.825 23.058 -10.570 146 HA CYS 21 HA CYS 21 3.949 20.857 -11.131 147 HB2 CYS 21 HB2 CYS 21 3.598 23.301 -9.468 148 HB3 CYS 21 HB3 CYS 21 2.228 22.783 -10.444 149 H LEU 22 H LEU 22 3.208 20.851 -13.142 150 HA LEU 22 HA LEU 22 3.569 23.248 -14.786 151 HB2 LEU 22 HB2 LEU 22 3.319 20.332 -15.360 152 HB3 LEU 22 HB3 LEU 22 2.894 21.496 -16.613 153 HG LEU 22 HG LEU 22 5.540 21.820 -15.317 154 HD11 LEU 22 HD11 LEU 22 5.147 19.727 -17.436 155 HD12 LEU 22 HD12 LEU 22 5.196 19.338 -15.717 156 HD13 LEU 22 HD13 LEU 22 6.595 20.080 -16.493 157 HD21 LEU 22 HD21 LEU 22 4.843 23.359 -17.040 158 HD22 LEU 22 HD22 LEU 22 4.503 22.025 -18.142 159 HD23 LEU 22 HD23 LEU 22 6.163 22.359 -17.648 160 HA PRO 23 HA PRO 23 -0.713 24.146 -15.118 161 HB2 PRO 23 HB2 PRO 23 -0.918 24.948 -17.703 162 HB3 PRO 23 HB3 PRO 23 -0.130 25.921 -16.455 163 HG2 PRO 23 HG2 PRO 23 1.097 24.131 -18.518 164 HG3 PRO 23 HG3 PRO 23 1.608 25.745 -17.990 165 HD2 PRO 23 HD2 PRO 23 2.803 23.478 -17.114 166 HD3 PRO 23 HD3 PRO 23 2.659 24.933 -16.106 167 H ARG 24 H ARG 24 -2.708 23.682 -16.430 168 HA ARG 24 HA ARG 24 -2.876 20.869 -16.923 169 HB2 ARG 24 HB2 ARG 24 -5.218 21.214 -17.202 170 HB3 ARG 24 HB3 ARG 24 -4.696 22.275 -15.900 171 HG2 ARG 24 HG2 ARG 24 -5.868 23.827 -17.004 172 HG3 ARG 24 HG3 ARG 24 -4.440 23.920 -18.037 173 HD2 ARG 24 HD2 ARG 24 -6.080 23.632 -19.612 174 HD3 ARG 24 HD3 ARG 24 -5.625 21.956 -19.311 175 HE ARG 24 HE ARG 24 -7.695 21.591 -18.399 176 HH11 ARG 24 HH11 ARG 24 -7.148 25.018 -18.674 177 HH12 ARG 24 HH12 ARG 24 -8.774 25.443 -18.253 178 HH21 ARG 24 HH21 ARG 24 -9.839 22.138 -17.844 179 HH22 ARG 24 HH22 ARG 24 -10.303 23.805 -17.780 180 H ALA 25 H ALA 25 -2.543 23.722 -18.885 181 HA ALA 25 HA ALA 25 -3.388 22.625 -21.352 182 HB1 ALA 25 HB1 ALA 25 -1.389 24.842 -20.947 183 HB2 ALA 25 HB2 ALA 25 -2.378 24.538 -22.376 184 HB3 ALA 25 HB3 ALA 25 -3.138 25.056 -20.871 185 H PHE 26 H PHE 26 -0.658 22.023 -19.449 186 HA PHE 26 HA PHE 26 1.395 21.621 -21.253 187 HB2 PHE 26 HB2 PHE 26 2.473 20.463 -19.577 188 HB3 PHE 26 HB3 PHE 26 1.251 21.311 -18.635 189 HD1 PHE 26 HD2 PHE 26 -1.049 19.970 -18.448 190 HD2 PHE 26 HD1 PHE 26 2.771 18.234 -19.159 191 HE1 PHE 26 HE2 PHE 26 -1.868 17.820 -17.575 192 HE2 PHE 26 HE1 PHE 26 1.959 16.081 -18.289 193 HZ PHE 26 HZ PHE 26 -0.363 15.872 -17.494 194 H HIS 27 H HIS 27 -1.499 19.784 -20.789 195 HA HIS 27 HA HIS 27 -0.773 17.308 -21.828 196 HB2 HIS 27 HB2 HIS 27 -2.919 17.522 -20.826 197 HB3 HIS 27 HB3 HIS 27 -3.380 18.823 -21.920 198 HD1 HIS 27 HD1 HIS 27 -5.156 17.969 -23.402 199 HD2 HIS 27 HD2 HIS 27 -2.202 15.123 -22.746 200 HE1 HIS 27 HE1 HIS 27 -5.807 15.989 -24.809 201 H CYS 28 H CYS 28 0.490 17.237 -23.611 202 HA CYS 28 HA CYS 28 1.171 17.460 -25.775 203 HB2 CYS 28 HB2 CYS 28 -1.809 17.211 -25.972 204 HB3 CYS 28 HB3 CYS 28 -0.864 17.501 -27.429 205 H ASP 29 H ASP 29 2.143 19.495 -25.582 206 HA ASP 29 HA ASP 29 0.528 21.763 -26.544 207 HB2 ASP 29 HB2 ASP 29 2.123 23.232 -25.436 208 HB3 ASP 29 HB3 ASP 29 1.494 22.056 -24.285 209 H GLY 30 H GLY 30 3.461 19.911 -27.010 210 HA2 GLY 30 HA2 GLY 30 3.862 19.988 -29.601 211 HA3 GLY 30 HA3 GLY 30 4.282 21.651 -29.220 212 H LYS 31 H LYS 31 5.603 21.277 -26.794 213 HA LYS 31 HA LYS 31 7.784 19.415 -27.375 214 HB2 LYS 31 HB2 LYS 31 8.359 22.277 -26.627 215 HB3 LYS 31 HB3 LYS 31 9.493 21.053 -27.184 216 HG2 LYS 31 HG2 LYS 31 7.842 21.145 -29.301 217 HG3 LYS 31 HG3 LYS 31 7.686 22.803 -28.715 218 HD2 LYS 31 HD2 LYS 31 9.617 23.296 -29.699 219 HD3 LYS 31 HD3 LYS 31 10.430 22.162 -28.617 220 HE2 LYS 31 HE2 LYS 31 10.927 21.626 -30.931 221 HE3 LYS 31 HE3 LYS 31 9.967 20.342 -30.197 222 HZ1 LYS 31 HZ1 LYS 31 7.984 21.444 -31.223 223 HZ2 LYS 31 HZ2 LYS 31 9.064 20.748 -32.323 224 HZ3 LYS 31 HZ3 LYS 31 9.050 22.425 -32.096 225 H ASP 32 H ASP 32 9.506 19.841 -25.432 226 HA ASP 32 HA ASP 32 8.283 18.822 -23.133 227 HB2 ASP 32 HB2 ASP 32 10.894 19.227 -24.008 228 HB3 ASP 32 HB3 ASP 32 10.770 20.217 -22.556 229 H ASP 33 H ASP 33 7.645 19.711 -21.207 230 HA ASP 33 HA ASP 33 7.393 22.646 -21.180 231 HB2 ASP 33 HB2 ASP 33 5.687 20.709 -19.615 232 HB3 ASP 33 HB3 ASP 33 5.380 22.415 -19.926 233 H CYS 34 H CYS 34 8.383 19.826 -19.373 234 HA CYS 34 HA CYS 34 8.957 21.370 -16.981 235 HB2 CYS 34 HB2 CYS 34 8.107 18.925 -17.072 236 HB3 CYS 34 HB3 CYS 34 9.780 18.513 -17.436 237 H GLY 35 H GLY 35 10.868 19.271 -19.152 238 HA2 GLY 35 HA2 GLY 35 12.896 20.263 -20.150 239 HA3 GLY 35 HA3 GLY 35 13.185 21.018 -18.590 240 H ASN 36 H ASN 36 12.153 18.326 -17.437 241 HA ASN 36 HA ASN 36 14.804 17.105 -17.366 242 HB2 ASN 36 HB2 ASN 36 13.955 17.402 -15.193 243 HB3 ASN 36 HB3 ASN 36 12.344 16.856 -15.651 244 HD21 ASN 36 HD21 ASN 36 12.024 15.160 -14.366 245 HD22 ASN 36 HD22 ASN 36 13.050 13.772 -14.276 246 H GLY 37 H GLY 37 11.613 16.537 -18.594 247 HA2 GLY 37 HA2 GLY 37 11.310 15.014 -20.429 248 HA3 GLY 37 HA3 GLY 37 12.568 13.999 -19.740 249 H ALA 38 H ALA 38 9.699 15.449 -18.229 250 HA ALA 38 HA ALA 38 8.771 12.720 -17.607 251 HB1 ALA 38 HB1 ALA 38 9.688 14.411 -15.741 252 HB2 ALA 38 HB2 ALA 38 7.995 14.904 -15.777 253 HB3 ALA 38 HB3 ALA 38 8.417 13.227 -15.432 254 H ASP 39 H ASP 39 7.684 16.105 -17.865 255 HA ASP 39 HA ASP 39 4.945 15.556 -18.065 256 HB2 ASP 39 HB2 ASP 39 4.671 17.810 -18.728 257 HB3 ASP 39 HB3 ASP 39 6.077 17.808 -17.668 258 H GLU 40 H GLU 40 7.502 15.387 -20.409 259 HA GLU 40 HA GLU 40 6.147 15.598 -22.803 260 HB2 GLU 40 HB2 GLU 40 8.489 13.901 -21.976 261 HB3 GLU 40 HB3 GLU 40 7.870 13.863 -23.620 262 HG2 GLU 40 HG2 GLU 40 8.710 16.403 -22.259 263 HG3 GLU 40 HG3 GLU 40 9.820 15.398 -23.189 264 H GLU 41 H GLU 41 6.331 12.855 -20.599 265 HA GLU 41 HA GLU 41 5.068 10.977 -22.298 266 HB2 GLU 41 HB2 GLU 41 5.060 10.983 -19.278 267 HB3 GLU 41 HB3 GLU 41 4.837 9.597 -20.337 268 HG2 GLU 41 HG2 GLU 41 7.364 11.221 -20.241 269 HG3 GLU 41 HG3 GLU 41 7.088 9.782 -19.262 270 H ASN 42 H ASN 42 2.981 9.872 -21.020 271 HA ASN 42 HA ASN 42 0.729 9.994 -20.730 272 HB2 ASN 42 HB2 ASN 42 1.789 12.058 -19.163 273 HB3 ASN 42 HB3 ASN 42 0.458 12.797 -20.049 274 HD21 ASN 42 HD21 ASN 42 1.216 9.844 -18.238 275 HD22 ASN 42 HD22 ASN 42 -0.315 9.734 -17.444 276 H CYS 43 H CYS 43 2.168 11.010 -23.227 277 HA CYS 43 HA CYS 43 -0.235 11.870 -24.589 278 HB2 CYS 43 HB2 CYS 43 1.754 13.774 -23.787 279 HB3 CYS 43 HB3 CYS 43 1.748 13.654 -25.544 280 H GLY 44 H GLY 44 1.793 9.645 -24.544 281 HA2 GLY 44 HA2 GLY 44 2.277 9.630 -27.448 282 HA3 GLY 44 HA3 GLY 44 3.583 9.214 -26.348 Start of MODEL 13 1 H1 GLY 1 H GLY 1 9.148 -2.173 2.776 2 HA2 GLY 1 HA2 GLY 1 7.143 -1.283 0.969 3 HA3 GLY 1 HA3 GLY 1 6.974 -1.425 2.712 4 H SER 2 H SER 2 7.128 0.698 0.125 5 HA SER 2 HA SER 2 7.375 2.972 1.970 6 HB2 SER 2 HB2 SER 2 9.374 3.381 0.972 7 HB3 SER 2 HB3 SER 2 8.987 2.392 -0.436 8 HG SER 2 HG SER 2 8.943 5.023 -0.248 9 H MET 3 H MET 3 6.048 4.714 1.552 10 HA MET 3 HA MET 3 4.222 4.473 -0.741 11 HB2 MET 3 HB2 MET 3 3.345 5.319 2.022 12 HB3 MET 3 HB3 MET 3 2.324 5.031 0.619 13 HG2 MET 3 HG2 MET 3 2.032 2.959 1.323 14 HG3 MET 3 HG3 MET 3 3.741 2.656 1.019 15 HE1 MET 3 HE1 MET 3 1.525 2.698 4.871 16 HE2 MET 3 HE2 MET 3 1.490 4.315 4.168 17 HE3 MET 3 HE3 MET 3 0.933 2.932 3.226 18 H ILE 4 H ILE 4 4.089 6.272 -1.911 19 HA ILE 4 HA ILE 4 4.665 8.852 -0.627 20 HB ILE 4 HB ILE 4 5.942 9.584 -2.582 21 HG12 ILE 4 HG12 ILE 4 6.633 7.117 -3.789 22 HG13 ILE 4 HG13 ILE 4 4.875 7.170 -3.712 23 HG21 ILE 4 HG21 ILE 4 7.149 7.018 -1.587 24 HG22 ILE 4 HG22 ILE 4 7.967 8.513 -2.038 25 HG23 ILE 4 HG23 ILE 4 6.995 8.450 -0.568 26 HD11 ILE 4 HD11 ILE 4 5.069 8.265 -5.651 27 HD12 ILE 4 HD12 ILE 4 5.427 9.655 -4.626 28 HD13 ILE 4 HD13 ILE 4 6.743 8.726 -5.342 29 H THR 5 H THR 5 3.560 10.616 -1.443 30 HA THR 5 HA THR 5 1.691 10.148 -3.654 31 HB THR 5 HB THR 5 0.147 11.695 -2.039 32 HG1 THR 5 HG1 THR 5 0.822 11.486 -0.051 33 HG21 THR 5 HG21 THR 5 -0.067 8.769 -1.596 34 HG22 THR 5 HG22 THR 5 -0.139 9.341 -3.262 35 HG23 THR 5 HG23 THR 5 -1.300 9.934 -2.075 36 HA PRO 6 HA PRO 6 2.732 14.195 -4.994 37 HB2 PRO 6 HB2 PRO 6 0.375 15.093 -5.999 38 HB3 PRO 6 HB3 PRO 6 1.347 13.849 -6.794 39 HG2 PRO 6 HG2 PRO 6 -1.064 13.540 -5.046 40 HG3 PRO 6 HG3 PRO 6 -0.664 12.704 -6.558 41 HD2 PRO 6 HD2 PRO 6 -0.295 11.572 -4.126 42 HD3 PRO 6 HD3 PRO 6 0.760 11.225 -5.510 43 H SER 7 H SER 7 2.409 16.472 -4.642 44 HA SER 7 HA SER 7 0.754 17.109 -2.291 45 HB2 SER 7 HB2 SER 7 3.601 17.969 -2.840 46 HB3 SER 7 HB3 SER 7 2.580 18.708 -1.606 47 HG SER 7 HG SER 7 4.014 16.465 -1.450 48 H CYS 8 H CYS 8 0.100 17.454 -5.061 49 HA CYS 8 HA CYS 8 0.003 20.396 -5.190 50 HB2 CYS 8 HB2 CYS 8 1.144 18.650 -7.066 51 HB3 CYS 8 HB3 CYS 8 -0.393 19.147 -7.768 52 H GLN 9 H GLN 9 -1.843 21.045 -6.816 53 HA GLN 9 HA GLN 9 -4.177 19.319 -6.565 54 HB2 GLN 9 HB2 GLN 9 -5.544 21.205 -5.664 55 HB3 GLN 9 HB3 GLN 9 -4.340 20.594 -4.539 56 HG2 GLN 9 HG2 GLN 9 -2.925 22.464 -4.906 57 HG3 GLN 9 HG3 GLN 9 -3.905 23.014 -6.264 58 HE21 GLN 9 HE22 GLN 9 -3.173 23.685 -3.194 59 HE22 GLN 9 HE21 GLN 9 -4.638 24.437 -2.674 60 H LYS 10 H LYS 10 -6.151 20.693 -7.541 61 HA LYS 10 HA LYS 10 -7.087 21.586 -9.412 62 HB2 LYS 10 HB2 LYS 10 -4.989 23.316 -8.735 63 HB3 LYS 10 HB3 LYS 10 -4.819 23.045 -10.464 64 HG2 LYS 10 HG2 LYS 10 -7.504 23.485 -10.216 65 HG3 LYS 10 HG3 LYS 10 -6.828 24.560 -8.989 66 HD2 LYS 10 HD2 LYS 10 -5.934 24.462 -11.869 67 HD3 LYS 10 HD3 LYS 10 -7.079 25.634 -11.212 68 HE2 LYS 10 HE2 LYS 10 -4.234 25.258 -10.282 69 HE3 LYS 10 HE3 LYS 10 -4.790 26.532 -11.366 70 HZ1 LYS 10 HZ1 LYS 10 -4.973 27.663 -9.446 71 HZ2 LYS 10 HZ2 LYS 10 -5.110 26.274 -8.492 72 HZ3 LYS 10 HZ3 LYS 10 -6.459 26.862 -9.326 73 H GLY 11 H GLY 11 -6.330 22.068 -11.927 74 HA2 GLY 11 HA2 GLY 11 -5.962 19.513 -13.030 75 HA3 GLY 11 HA3 GLY 11 -5.842 21.028 -13.913 76 H TYR 12 H TYR 12 -3.662 21.715 -11.804 77 HA TYR 12 HA TYR 12 -1.458 21.107 -13.457 78 HB2 TYR 12 HB2 TYR 12 -1.706 22.183 -10.657 79 HB3 TYR 12 HB3 TYR 12 -0.132 21.867 -11.380 80 HD1 TYR 12 HD1 TYR 12 -3.330 23.508 -12.435 81 HD2 TYR 12 HD2 TYR 12 0.915 23.724 -12.239 82 HE1 TYR 12 HE1 TYR 12 -3.397 25.711 -13.527 83 HE2 TYR 12 HE2 TYR 12 0.860 25.928 -13.329 84 HH TYR 12 HH TYR 12 -2.113 27.643 -13.856 85 H PHE 13 H PHE 13 0.457 19.873 -12.849 86 HA PHE 13 HA PHE 13 0.027 17.705 -10.945 87 HB2 PHE 13 HB2 PHE 13 0.143 15.965 -12.437 88 HB3 PHE 13 HB3 PHE 13 -0.667 17.157 -13.449 89 HD1 PHE 13 HD2 PHE 13 1.047 18.763 -14.737 90 HD2 PHE 13 HD1 PHE 13 1.890 14.822 -13.369 91 HE1 PHE 13 HE2 PHE 13 2.848 18.574 -16.403 92 HE2 PHE 13 HE1 PHE 13 3.692 14.626 -15.032 93 HZ PHE 13 HZ PHE 13 4.173 16.503 -16.553 94 HA PRO 14 HA PRO 14 4.282 18.405 -10.082 95 HB2 PRO 14 HB2 PRO 14 4.913 16.016 -8.956 96 HB3 PRO 14 HB3 PRO 14 3.929 17.235 -8.136 97 HG2 PRO 14 HG2 PRO 14 3.061 14.781 -9.615 98 HG3 PRO 14 HG3 PRO 14 2.470 15.426 -8.072 99 HD2 PRO 14 HD2 PRO 14 1.145 15.787 -10.405 100 HD3 PRO 14 HD3 PRO 14 1.121 16.988 -9.098 101 H CYS 15 H CYS 15 6.228 18.148 -11.060 102 HA CYS 15 HA CYS 15 6.428 16.895 -13.541 103 HB2 CYS 15 HB2 CYS 15 8.279 18.223 -11.671 104 HB3 CYS 15 HB3 CYS 15 9.037 17.067 -12.761 105 H GLY 16 H GLY 16 8.492 15.349 -13.886 106 HA2 GLY 16 HA2 GLY 16 7.723 12.799 -13.158 107 HA3 GLY 16 HA3 GLY 16 9.352 13.230 -13.656 108 H ASN 17 H ASN 17 10.591 14.440 -11.813 109 HA ASN 17 HA ASN 17 10.112 12.972 -9.302 110 HB2 ASN 17 HB2 ASN 17 12.505 13.161 -10.982 111 HB3 ASN 17 HB3 ASN 17 12.811 13.537 -9.288 112 HD21 ASN 17 HD21 ASN 17 11.970 11.102 -11.575 113 HD22 ASN 17 HD22 ASN 17 12.050 9.756 -10.495 114 H LEU 18 H LEU 18 11.096 15.958 -10.831 115 HA LEU 18 HA LEU 18 11.961 17.401 -8.612 116 HB2 LEU 18 HB2 LEU 18 10.791 18.094 -11.250 117 HB3 LEU 18 HB3 LEU 18 10.848 19.359 -10.025 118 HG LEU 18 HG LEU 18 13.316 17.822 -10.757 119 HD11 LEU 18 HD11 LEU 18 11.831 19.346 -12.584 120 HD12 LEU 18 HD12 LEU 18 13.485 18.760 -12.758 121 HD13 LEU 18 HD13 LEU 18 13.183 20.361 -12.081 122 HD21 LEU 18 HD21 LEU 18 14.444 19.764 -9.933 123 HD22 LEU 18 HD22 LEU 18 13.240 19.283 -8.738 124 HD23 LEU 18 HD23 LEU 18 12.928 20.654 -9.803 125 H THR 19 H THR 19 10.603 19.497 -7.963 126 HA THR 19 HA THR 19 8.037 18.483 -6.933 127 HB THR 19 HB THR 19 9.720 19.011 -5.196 128 HG1 THR 19 HG1 THR 19 8.257 20.091 -3.922 129 HG21 THR 19 HG21 THR 19 9.526 21.869 -5.272 130 HG22 THR 19 HG22 THR 19 10.180 21.284 -6.801 131 HG23 THR 19 HG23 THR 19 10.967 20.854 -5.283 132 H LYS 20 H LYS 20 8.756 19.983 -9.501 133 HA LYS 20 HA LYS 20 7.267 22.462 -9.159 134 HB2 LYS 20 HB2 LYS 20 9.204 22.662 -10.535 135 HB3 LYS 20 HB3 LYS 20 8.755 21.253 -11.487 136 HG2 LYS 20 HG2 LYS 20 6.827 22.482 -12.376 137 HG3 LYS 20 HG3 LYS 20 7.318 23.900 -11.446 138 HD2 LYS 20 HD2 LYS 20 9.425 23.987 -12.672 139 HD3 LYS 20 HD3 LYS 20 8.969 22.544 -13.580 140 HE2 LYS 20 HE2 LYS 20 8.543 24.479 -14.938 141 HE3 LYS 20 HE3 LYS 20 7.000 23.779 -14.450 142 HZ1 LYS 20 HZ1 LYS 20 8.291 26.085 -13.097 143 HZ2 LYS 20 HZ2 LYS 20 6.747 25.466 -12.791 144 HZ3 LYS 20 HZ3 LYS 20 7.077 26.224 -14.267 145 H CYS 21 H CYS 21 5.347 22.949 -10.247 146 HA CYS 21 HA CYS 21 3.868 20.599 -11.237 147 HB2 CYS 21 HB2 CYS 21 3.214 22.527 -9.201 148 HB3 CYS 21 HB3 CYS 21 2.027 22.605 -10.499 149 H LEU 22 H LEU 22 3.042 20.686 -13.233 150 HA LEU 22 HA LEU 22 3.368 23.179 -14.737 151 HB2 LEU 22 HB2 LEU 22 3.169 20.293 -15.495 152 HB3 LEU 22 HB3 LEU 22 2.813 21.545 -16.684 153 HG LEU 22 HG LEU 22 5.353 21.987 -15.339 154 HD11 LEU 22 HD11 LEU 22 6.524 20.107 -15.849 155 HD12 LEU 22 HD12 LEU 22 5.458 19.668 -17.183 156 HD13 LEU 22 HD13 LEU 22 4.955 19.370 -15.519 157 HD21 LEU 22 HD21 LEU 22 4.575 23.120 -17.387 158 HD22 LEU 22 HD22 LEU 22 4.632 21.576 -18.239 159 HD23 LEU 22 HD23 LEU 22 6.117 22.293 -17.612 160 HA PRO 23 HA PRO 23 -0.931 23.972 -15.117 161 HB2 PRO 23 HB2 PRO 23 -1.112 24.889 -17.666 162 HB3 PRO 23 HB3 PRO 23 -0.374 25.823 -16.360 163 HG2 PRO 23 HG2 PRO 23 0.939 24.166 -18.479 164 HG3 PRO 23 HG3 PRO 23 1.396 25.767 -17.868 165 HD2 PRO 23 HD2 PRO 23 2.638 23.495 -17.075 166 HD3 PRO 23 HD3 PRO 23 2.435 24.897 -16.004 167 H ARG 24 H ARG 24 -2.884 23.528 -16.511 168 HA ARG 24 HA ARG 24 -2.977 20.734 -17.117 169 HB2 ARG 24 HB2 ARG 24 -5.346 21.172 -17.676 170 HB3 ARG 24 HB3 ARG 24 -4.895 21.812 -16.101 171 HG2 ARG 24 HG2 ARG 24 -5.904 23.678 -16.790 172 HG3 ARG 24 HG3 ARG 24 -4.432 23.952 -17.724 173 HD2 ARG 24 HD2 ARG 24 -6.095 24.200 -19.318 174 HD3 ARG 24 HD3 ARG 24 -5.602 22.521 -19.534 175 HE ARG 24 HE ARG 24 -7.724 22.623 -17.698 176 HH11 ARG 24 HH11 ARG 24 -7.081 23.117 -21.084 177 HH12 ARG 24 HH12 ARG 24 -8.681 22.682 -21.585 178 HH21 ARG 24 HH21 ARG 24 -9.834 22.048 -18.345 179 HH22 ARG 24 HH22 ARG 24 -10.247 22.075 -20.026 180 H ALA 25 H ALA 25 -2.524 23.634 -18.944 181 HA ALA 25 HA ALA 25 -3.331 22.685 -21.483 182 HB1 ALA 25 HB1 ALA 25 -2.086 25.047 -20.405 183 HB2 ALA 25 HB2 ALA 25 -1.314 24.564 -21.915 184 HB3 ALA 25 HB3 ALA 25 -3.052 24.855 -21.868 185 H PHE 26 H PHE 26 -0.694 21.880 -19.526 186 HA PHE 26 HA PHE 26 1.383 21.457 -21.314 187 HB2 PHE 26 HB2 PHE 26 2.384 20.169 -19.662 188 HB3 PHE 26 HB3 PHE 26 1.253 21.137 -18.723 189 HD1 PHE 26 HD1 PHE 26 -1.212 19.969 -18.672 190 HD2 PHE 26 HD2 PHE 26 2.531 17.976 -19.047 191 HE1 PHE 26 HE1 PHE 26 -2.219 17.914 -17.766 192 HE2 PHE 26 HE2 PHE 26 1.530 15.918 -18.143 193 HZ PHE 26 HZ PHE 26 -0.848 15.885 -17.502 194 H HIS 27 H HIS 27 -1.602 19.773 -20.981 195 HA HIS 27 HA HIS 27 -0.975 17.263 -22.006 196 HB2 HIS 27 HB2 HIS 27 -3.147 17.604 -21.091 197 HB3 HIS 27 HB3 HIS 27 -3.486 18.926 -22.205 198 HD1 HIS 27 HD1 HIS 27 -5.266 18.154 -23.730 199 HD2 HIS 27 HD2 HIS 27 -2.457 15.179 -23.011 200 HE1 HIS 27 HE1 HIS 27 -5.958 16.213 -25.172 201 H CYS 28 H CYS 28 0.368 17.147 -23.731 202 HA CYS 28 HA CYS 28 1.085 17.232 -25.887 203 HB2 CYS 28 HB2 CYS 28 -1.882 17.482 -26.161 204 HB3 CYS 28 HB3 CYS 28 -0.876 17.720 -27.587 205 H ASP 29 H ASP 29 2.440 18.956 -25.933 206 HA ASP 29 HA ASP 29 1.268 21.540 -26.733 207 HB2 ASP 29 HB2 ASP 29 3.896 21.315 -25.290 208 HB3 ASP 29 HB3 ASP 29 2.837 22.713 -25.441 209 H GLY 30 H GLY 30 4.108 19.426 -26.977 210 HA2 GLY 30 HA2 GLY 30 4.734 19.067 -29.411 211 HA3 GLY 30 HA3 GLY 30 4.828 20.821 -29.476 212 H LYS 31 H LYS 31 5.941 20.818 -26.675 213 HA LYS 31 HA LYS 31 8.584 19.653 -27.144 214 HB2 LYS 31 HB2 LYS 31 8.272 22.515 -26.245 215 HB3 LYS 31 HB3 LYS 31 9.752 21.685 -26.706 216 HG2 LYS 31 HG2 LYS 31 8.306 21.433 -28.977 217 HG3 LYS 31 HG3 LYS 31 7.713 22.981 -28.370 218 HD2 LYS 31 HD2 LYS 31 9.523 23.888 -29.312 219 HD3 LYS 31 HD3 LYS 31 10.447 23.144 -28.004 220 HE2 LYS 31 HE2 LYS 31 10.440 21.055 -29.554 221 HE3 LYS 31 HE3 LYS 31 10.061 22.219 -30.823 222 HZ1 LYS 31 HZ1 LYS 31 12.401 22.438 -29.011 223 HZ2 LYS 31 HZ2 LYS 31 12.068 23.400 -30.362 224 HZ3 LYS 31 HZ3 LYS 31 12.463 21.768 -30.563 225 H ASP 32 H ASP 32 9.997 20.234 -25.075 226 HA ASP 32 HA ASP 32 8.627 19.020 -22.873 227 HB2 ASP 32 HB2 ASP 32 10.774 19.132 -21.726 228 HB3 ASP 32 HB3 ASP 32 11.002 18.550 -23.373 229 H ASP 33 H ASP 33 7.615 19.973 -21.234 230 HA ASP 33 HA ASP 33 7.904 22.885 -20.933 231 HB2 ASP 33 HB2 ASP 33 5.624 21.084 -20.088 232 HB3 ASP 33 HB3 ASP 33 5.681 22.831 -19.870 233 H CYS 34 H CYS 34 8.181 19.829 -19.316 234 HA CYS 34 HA CYS 34 8.314 20.919 -16.662 235 HB2 CYS 34 HB2 CYS 34 7.550 18.646 -16.933 236 HB3 CYS 34 HB3 CYS 34 9.032 18.201 -17.774 237 H GLY 35 H GLY 35 10.760 19.193 -18.613 238 HA2 GLY 35 HA2 GLY 35 12.853 20.627 -18.944 239 HA3 GLY 35 HA3 GLY 35 12.827 20.742 -17.191 240 H ASN 36 H ASN 36 11.750 17.843 -17.287 241 HA ASN 36 HA ASN 36 14.410 16.602 -17.498 242 HB2 ASN 36 HB2 ASN 36 12.207 15.251 -16.018 243 HB3 ASN 36 HB3 ASN 36 13.935 15.287 -15.677 244 HD21 ASN 36 HD21 ASN 36 11.347 15.924 -14.163 245 HD22 ASN 36 HD22 ASN 36 11.695 17.433 -13.397 246 H GLY 37 H GLY 37 11.078 16.410 -18.506 247 HA2 GLY 37 HA2 GLY 37 10.676 15.418 -20.705 248 HA3 GLY 37 HA3 GLY 37 11.815 14.154 -20.265 249 H ALA 38 H ALA 38 9.660 15.203 -17.808 250 HA ALA 38 HA ALA 38 8.350 12.611 -17.842 251 HB1 ALA 38 HB1 ALA 38 7.346 14.330 -15.790 252 HB2 ALA 38 HB2 ALA 38 8.318 12.866 -15.639 253 HB3 ALA 38 HB3 ALA 38 9.107 14.431 -15.833 254 H ASP 39 H ASP 39 7.458 16.036 -18.055 255 HA ASP 39 HA ASP 39 4.671 15.611 -18.271 256 HB2 ASP 39 HB2 ASP 39 4.504 17.910 -18.813 257 HB3 ASP 39 HB3 ASP 39 5.873 17.789 -17.712 258 H GLU 40 H GLU 40 7.280 15.562 -20.584 259 HA GLU 40 HA GLU 40 5.903 15.903 -22.968 260 HB2 GLU 40 HB2 GLU 40 8.307 14.208 -22.302 261 HB3 GLU 40 HB3 GLU 40 7.707 14.399 -23.943 262 HG2 GLU 40 HG2 GLU 40 8.445 16.745 -22.227 263 HG3 GLU 40 HG3 GLU 40 9.622 15.895 -23.226 264 H GLU 41 H GLU 41 5.933 13.210 -20.783 265 HA GLU 41 HA GLU 41 4.900 11.288 -22.634 266 HB2 GLU 41 HB2 GLU 41 4.682 11.147 -19.632 267 HB3 GLU 41 HB3 GLU 41 4.724 9.815 -20.779 268 HG2 GLU 41 HG2 GLU 41 7.098 11.218 -21.196 269 HG3 GLU 41 HG3 GLU 41 6.888 11.157 -19.447 270 H ASN 42 H ASN 42 2.810 10.082 -21.378 271 HA ASN 42 HA ASN 42 0.547 10.123 -21.152 272 HB2 ASN 42 HB2 ASN 42 0.718 13.051 -20.466 273 HB3 ASN 42 HB3 ASN 42 -0.447 11.857 -19.899 274 HD21 ASN 42 HD21 ASN 42 0.045 10.579 -18.176 275 HD22 ASN 42 HD22 ASN 42 1.464 10.783 -17.213 276 H CYS 43 H CYS 43 2.055 11.212 -23.612 277 HA CYS 43 HA CYS 43 -0.339 11.878 -25.093 278 HB2 CYS 43 HB2 CYS 43 1.545 13.918 -24.268 279 HB3 CYS 43 HB3 CYS 43 1.457 13.814 -26.023 280 H GLY 44 H GLY 44 1.898 9.841 -24.917 281 HA2 GLY 44 HA2 GLY 44 2.624 8.382 -26.601 282 HA3 GLY 44 HA3 GLY 44 2.290 9.628 -27.794 Start of MODEL 14 1 H1 GLY 1 H GLY 1 5.829 2.175 -0.825 2 HA2 GLY 1 HA2 GLY 1 6.383 2.237 -3.640 3 HA3 GLY 1 HA3 GLY 1 5.372 1.070 -2.801 4 H SER 2 H SER 2 3.812 1.141 -4.448 5 HA SER 2 HA SER 2 1.906 1.846 -5.472 6 HB2 SER 2 HB2 SER 2 1.708 3.855 -3.220 7 HB3 SER 2 HB3 SER 2 0.389 3.219 -4.203 8 HG SER 2 HG SER 2 0.465 1.352 -3.134 9 H MET 3 H MET 3 0.702 4.224 -5.909 10 HA MET 3 HA MET 3 2.628 6.246 -6.627 11 HB2 MET 3 HB2 MET 3 2.058 6.199 -9.043 12 HB3 MET 3 HB3 MET 3 2.930 4.767 -8.511 13 HG2 MET 3 HG2 MET 3 0.573 3.733 -8.246 14 HG3 MET 3 HG3 MET 3 0.066 5.050 -9.301 15 HE1 MET 3 HE1 MET 3 1.031 5.653 -11.323 16 HE2 MET 3 HE2 MET 3 2.568 4.998 -11.888 17 HE3 MET 3 HE3 MET 3 1.054 4.431 -12.594 18 H ILE 4 H ILE 4 0.753 6.726 -4.897 19 HA ILE 4 HA ILE 4 -1.222 8.320 -6.375 20 HB ILE 4 HB ILE 4 -2.940 7.791 -4.683 21 HG12 ILE 4 HG12 ILE 4 -1.534 5.360 -3.774 22 HG13 ILE 4 HG13 ILE 4 -0.883 6.873 -3.154 23 HG21 ILE 4 HG21 ILE 4 -1.913 6.025 -6.714 24 HG22 ILE 4 HG22 ILE 4 -2.718 5.115 -5.437 25 HG23 ILE 4 HG23 ILE 4 -3.584 6.394 -6.288 26 HD11 ILE 4 HD11 ILE 4 -2.482 6.924 -1.635 27 HD12 ILE 4 HD12 ILE 4 -3.700 6.977 -2.909 28 HD13 ILE 4 HD13 ILE 4 -3.151 5.425 -2.278 29 H THR 5 H THR 5 -2.308 9.938 -4.870 30 HA THR 5 HA THR 5 -2.160 11.731 -3.474 31 HB THR 5 HB THR 5 -0.088 10.191 -1.910 32 HG1 THR 5 HG1 THR 5 -2.930 10.012 -1.859 33 HG21 THR 5 HG21 THR 5 -1.894 12.513 -1.362 34 HG22 THR 5 HG22 THR 5 -0.180 12.317 -0.995 35 HG23 THR 5 HG23 THR 5 -1.390 11.461 -0.040 36 HA PRO 6 HA PRO 6 1.769 12.946 -5.671 37 HB2 PRO 6 HB2 PRO 6 0.623 14.913 -7.151 38 HB3 PRO 6 HB3 PRO 6 0.681 13.226 -7.675 39 HG2 PRO 6 HG2 PRO 6 -1.565 14.736 -6.395 40 HG3 PRO 6 HG3 PRO 6 -1.614 13.597 -7.753 41 HD2 PRO 6 HD2 PRO 6 -2.306 12.890 -5.233 42 HD3 PRO 6 HD3 PRO 6 -1.556 11.753 -6.372 43 H SER 7 H SER 7 2.576 15.312 -5.912 44 HA SER 7 HA SER 7 2.023 16.658 -3.366 45 HB2 SER 7 HB2 SER 7 4.382 16.680 -5.239 46 HB3 SER 7 HB3 SER 7 4.188 17.913 -3.993 47 HG SER 7 HG SER 7 5.449 16.070 -3.333 48 H CYS 8 H CYS 8 0.331 16.875 -5.782 49 HA CYS 8 HA CYS 8 0.184 19.774 -5.839 50 HB2 CYS 8 HB2 CYS 8 1.550 18.543 -7.878 51 HB3 CYS 8 HB3 CYS 8 -0.078 18.650 -8.539 52 H GLN 9 H GLN 9 -1.813 20.514 -6.998 53 HA GLN 9 HA GLN 9 -3.923 18.475 -7.029 54 HB2 GLN 9 HB2 GLN 9 -4.105 21.146 -5.625 55 HB3 GLN 9 HB3 GLN 9 -5.440 20.021 -5.840 56 HG2 GLN 9 HG2 GLN 9 -3.609 18.417 -4.661 57 HG3 GLN 9 HG3 GLN 9 -3.213 19.973 -3.933 58 HE21 GLN 9 HE22 GLN 9 -5.996 17.909 -4.673 59 HE22 GLN 9 HE21 GLN 9 -6.872 18.275 -3.229 60 H LYS 10 H LYS 10 -6.057 19.636 -7.829 61 HA LYS 10 HA LYS 10 -7.163 20.600 -9.568 62 HB2 LYS 10 HB2 LYS 10 -4.804 22.464 -9.835 63 HB3 LYS 10 HB3 LYS 10 -6.465 22.754 -10.338 64 HG2 LYS 10 HG2 LYS 10 -6.827 23.748 -8.397 65 HG3 LYS 10 HG3 LYS 10 -6.578 22.196 -7.594 66 HD2 LYS 10 HD2 LYS 10 -5.051 23.619 -6.547 67 HD3 LYS 10 HD3 LYS 10 -4.074 22.753 -7.735 68 HE2 LYS 10 HE2 LYS 10 -4.085 24.614 -9.217 69 HE3 LYS 10 HE3 LYS 10 -5.312 25.447 -8.264 70 HZ1 LYS 10 HZ1 LYS 10 -2.649 25.842 -8.059 71 HZ2 LYS 10 HZ2 LYS 10 -2.941 24.782 -6.775 72 HZ3 LYS 10 HZ3 LYS 10 -3.783 26.246 -6.870 73 H GLY 11 H GLY 11 -6.527 21.548 -11.992 74 HA2 GLY 11 HA2 GLY 11 -5.902 19.307 -13.497 75 HA3 GLY 11 HA3 GLY 11 -5.808 20.958 -14.091 76 H TYR 12 H TYR 12 -3.756 21.567 -11.976 77 HA TYR 12 HA TYR 12 -1.466 21.107 -13.564 78 HB2 TYR 12 HB2 TYR 12 -1.869 22.118 -10.759 79 HB3 TYR 12 HB3 TYR 12 -0.256 21.891 -11.425 80 HD1 TYR 12 HD2 TYR 12 -3.485 23.388 -12.591 81 HD2 TYR 12 HD1 TYR 12 0.729 23.819 -12.195 82 HE1 TYR 12 HE2 TYR 12 -3.618 25.604 -13.651 83 HE2 TYR 12 HE1 TYR 12 0.608 26.037 -13.253 84 HH TYR 12 HH TYR 12 -1.677 27.867 -13.429 85 H PHE 13 H PHE 13 0.490 19.964 -12.897 86 HA PHE 13 HA PHE 13 0.113 17.749 -11.042 87 HB2 PHE 13 HB2 PHE 13 0.328 16.035 -12.548 88 HB3 PHE 13 HB3 PHE 13 -0.492 17.206 -13.576 89 HD1 PHE 13 HD2 PHE 13 1.246 18.912 -14.746 90 HD2 PHE 13 HD1 PHE 13 2.102 14.939 -13.480 91 HE1 PHE 13 HE2 PHE 13 3.104 18.804 -16.354 92 HE2 PHE 13 HE1 PHE 13 3.963 14.825 -15.086 93 HZ PHE 13 HZ PHE 13 4.466 16.759 -16.526 94 HA PRO 14 HA PRO 14 4.342 18.416 -10.086 95 HB2 PRO 14 HB2 PRO 14 5.167 15.909 -9.448 96 HB3 PRO 14 HB3 PRO 14 4.096 16.861 -8.412 97 HG2 PRO 14 HG2 PRO 14 3.414 14.687 -10.353 98 HG3 PRO 14 HG3 PRO 14 2.784 14.966 -8.719 99 HD2 PRO 14 HD2 PRO 14 1.419 15.676 -10.947 100 HD3 PRO 14 HD3 PRO 14 1.309 16.589 -9.428 101 H CYS 15 H CYS 15 6.354 18.421 -11.007 102 HA CYS 15 HA CYS 15 6.566 17.443 -13.698 103 HB2 CYS 15 HB2 CYS 15 7.641 19.572 -12.397 104 HB3 CYS 15 HB3 CYS 15 9.001 18.453 -12.367 105 H GLY 16 H GLY 16 6.182 15.187 -12.495 106 HA2 GLY 16 HA2 GLY 16 7.094 13.062 -12.444 107 HA3 GLY 16 HA3 GLY 16 8.656 13.764 -12.838 108 H ASN 17 H ASN 17 9.901 14.722 -11.101 109 HA ASN 17 HA ASN 17 9.195 13.631 -8.457 110 HB2 ASN 17 HB2 ASN 17 11.845 13.607 -9.891 111 HB3 ASN 17 HB3 ASN 17 11.739 13.441 -8.140 112 HD21 ASN 17 HD21 ASN 17 11.189 11.526 -7.277 113 HD22 ASN 17 HD22 ASN 17 10.810 10.112 -8.196 114 H LEU 18 H LEU 18 10.795 16.174 -10.281 115 HA LEU 18 HA LEU 18 11.818 17.734 -8.244 116 HB2 LEU 18 HB2 LEU 18 10.789 18.274 -10.973 117 HB3 LEU 18 HB3 LEU 18 11.027 19.657 -9.908 118 HG LEU 18 HG LEU 18 13.231 17.682 -10.404 119 HD11 LEU 18 HD11 LEU 18 13.360 18.294 -12.532 120 HD12 LEU 18 HD12 LEU 18 13.701 19.936 -11.986 121 HD13 LEU 18 HD13 LEU 18 12.042 19.450 -12.335 122 HD21 LEU 18 HD21 LEU 18 14.533 19.863 -10.012 123 HD22 LEU 18 HD22 LEU 18 13.768 19.087 -8.624 124 HD23 LEU 18 HD23 LEU 18 13.011 20.490 -9.379 125 H THR 19 H THR 19 10.901 19.976 -7.657 126 HA THR 19 HA THR 19 8.254 19.529 -6.506 127 HB THR 19 HB THR 19 10.127 20.293 -5.044 128 HG1 THR 19 HG1 THR 19 7.709 20.908 -4.885 129 HG21 THR 19 HG21 THR 19 10.837 22.632 -5.163 130 HG22 THR 19 HG22 THR 19 9.858 22.861 -6.612 131 HG23 THR 19 HG23 THR 19 11.244 21.772 -6.647 132 H LYS 20 H LYS 20 8.829 20.297 -9.377 133 HA LYS 20 HA LYS 20 7.541 22.918 -9.521 134 HB2 LYS 20 HB2 LYS 20 9.459 22.673 -10.946 135 HB3 LYS 20 HB3 LYS 20 8.836 21.171 -11.616 136 HG2 LYS 20 HG2 LYS 20 7.292 22.243 -12.943 137 HG3 LYS 20 HG3 LYS 20 7.256 23.682 -11.921 138 HD2 LYS 20 HD2 LYS 20 9.550 24.224 -12.663 139 HD3 LYS 20 HD3 LYS 20 9.507 22.827 -13.742 140 HE2 LYS 20 HE2 LYS 20 8.855 24.435 -15.214 141 HE3 LYS 20 HE3 LYS 20 7.275 24.006 -14.558 142 HZ1 LYS 20 HZ1 LYS 20 8.954 26.346 -13.871 143 HZ2 LYS 20 HZ2 LYS 20 7.644 25.861 -12.919 144 HZ3 LYS 20 HZ3 LYS 20 7.393 26.339 -14.522 145 H CYS 21 H CYS 21 5.619 23.276 -10.670 146 HA CYS 21 HA CYS 21 4.054 20.875 -11.333 147 HB2 CYS 21 HB2 CYS 21 3.387 23.079 -9.448 148 HB3 CYS 21 HB3 CYS 21 2.085 22.455 -10.455 149 H LEU 22 H LEU 22 3.244 20.937 -13.319 150 HA LEU 22 HA LEU 22 3.223 23.494 -14.748 151 HB2 LEU 22 HB2 LEU 22 3.213 20.629 -15.649 152 HB3 LEU 22 HB3 LEU 22 2.851 21.955 -16.753 153 HG LEU 22 HG LEU 22 5.315 22.490 -15.389 154 HD11 LEU 22 HD11 LEU 22 6.060 20.392 -15.101 155 HD12 LEU 22 HD12 LEU 22 6.358 20.458 -16.838 156 HD13 LEU 22 HD13 LEU 22 4.885 19.707 -16.224 157 HD21 LEU 22 HD21 LEU 22 4.522 21.968 -18.246 158 HD22 LEU 22 HD22 LEU 22 6.148 22.447 -17.760 159 HD23 LEU 22 HD23 LEU 22 4.784 23.525 -17.461 160 HA PRO 23 HA PRO 23 -1.152 23.800 -14.903 161 HB2 PRO 23 HB2 PRO 23 -1.541 24.834 -17.383 162 HB3 PRO 23 HB3 PRO 23 -0.863 25.772 -16.047 163 HG2 PRO 23 HG2 PRO 23 0.544 24.405 -18.309 164 HG3 PRO 23 HG3 PRO 23 0.838 26.011 -17.615 165 HD2 PRO 23 HD2 PRO 23 2.365 23.859 -17.007 166 HD3 PRO 23 HD3 PRO 23 2.046 25.162 -15.845 167 H ARG 24 H ARG 24 -3.089 23.258 -16.337 168 HA ARG 24 HA ARG 24 -2.922 20.493 -17.050 169 HB2 ARG 24 HB2 ARG 24 -5.301 20.649 -17.481 170 HB3 ARG 24 HB3 ARG 24 -4.920 21.485 -15.982 171 HG2 ARG 24 HG2 ARG 24 -6.234 23.080 -16.864 172 HG3 ARG 24 HG3 ARG 24 -4.751 23.538 -17.706 173 HD2 ARG 24 HD2 ARG 24 -6.174 23.422 -19.484 174 HD3 ARG 24 HD3 ARG 24 -5.614 21.751 -19.449 175 HE ARG 24 HE ARG 24 -7.970 22.185 -17.874 176 HH11 ARG 24 HH11 ARG 24 -6.768 21.554 -21.079 177 HH12 ARG 24 HH12 ARG 24 -8.239 20.821 -21.628 178 HH21 ARG 24 HH21 ARG 24 -9.912 21.222 -18.584 179 HH22 ARG 24 HH22 ARG 24 -10.027 20.634 -20.208 180 H ALA 25 H ALA 25 -2.661 23.472 -18.755 181 HA ALA 25 HA ALA 25 -3.422 22.578 -21.333 182 HB1 ALA 25 HB1 ALA 25 -2.167 24.955 -20.178 183 HB2 ALA 25 HB2 ALA 25 -1.647 24.591 -21.823 184 HB3 ALA 25 HB3 ALA 25 -3.360 24.813 -21.469 185 H PHE 26 H PHE 26 -0.725 21.889 -19.408 186 HA PHE 26 HA PHE 26 1.366 21.677 -21.219 187 HB2 PHE 26 HB2 PHE 26 2.466 20.398 -19.619 188 HB3 PHE 26 HB3 PHE 26 1.290 21.272 -18.643 189 HD1 PHE 26 HD1 PHE 26 -1.099 19.958 -18.594 190 HD2 PHE 26 HD2 PHE 26 2.749 18.201 -19.068 191 HE1 PHE 26 HE1 PHE 26 -1.971 17.825 -17.733 192 HE2 PHE 26 HE2 PHE 26 1.883 16.065 -18.209 193 HZ PHE 26 HZ PHE 26 -0.480 15.874 -17.541 194 H HIS 27 H HIS 27 -1.474 19.742 -20.889 195 HA HIS 27 HA HIS 27 -0.659 17.337 -22.031 196 HB2 HIS 27 HB2 HIS 27 -2.824 17.450 -21.043 197 HB3 HIS 27 HB3 HIS 27 -3.312 18.774 -22.097 198 HD1 HIS 27 HD1 HIS 27 -5.103 17.863 -23.540 199 HD2 HIS 27 HD2 HIS 27 -1.938 15.201 -23.132 200 HE1 HIS 27 HE1 HIS 27 -5.652 15.928 -25.050 201 H CYS 28 H CYS 28 0.616 17.375 -23.803 202 HA CYS 28 HA CYS 28 1.315 17.721 -25.945 203 HB2 CYS 28 HB2 CYS 28 -1.648 17.378 -26.167 204 HB3 CYS 28 HB3 CYS 28 -0.734 17.821 -27.606 205 H ASP 29 H ASP 29 2.211 19.786 -25.560 206 HA ASP 29 HA ASP 29 0.559 22.058 -26.438 207 HB2 ASP 29 HB2 ASP 29 2.051 23.500 -25.222 208 HB3 ASP 29 HB3 ASP 29 1.582 22.180 -24.153 209 H GLY 30 H GLY 30 3.648 20.422 -26.909 210 HA2 GLY 30 HA2 GLY 30 3.987 20.624 -29.543 211 HA3 GLY 30 HA3 GLY 30 4.396 22.258 -29.043 212 H LYS 31 H LYS 31 5.683 21.636 -26.609 213 HA LYS 31 HA LYS 31 7.874 19.845 -27.312 214 HB2 LYS 31 HB2 LYS 31 9.590 21.511 -26.913 215 HB3 LYS 31 HB3 LYS 31 8.523 22.060 -28.200 216 HG2 LYS 31 HG2 LYS 31 7.433 23.598 -26.743 217 HG3 LYS 31 HG3 LYS 31 8.262 22.933 -25.333 218 HD2 LYS 31 HD2 LYS 31 10.219 23.696 -27.256 219 HD3 LYS 31 HD3 LYS 31 9.094 25.039 -27.041 220 HE2 LYS 31 HE2 LYS 31 9.487 24.270 -24.470 221 HE3 LYS 31 HE3 LYS 31 11.057 23.888 -25.176 222 HZ1 LYS 31 HZ1 LYS 31 11.543 26.025 -24.951 223 HZ2 LYS 31 HZ2 LYS 31 9.959 26.422 -24.514 224 HZ3 LYS 31 HZ3 LYS 31 10.399 26.376 -26.146 225 H ASP 32 H ASP 32 9.396 19.550 -25.468 226 HA ASP 32 HA ASP 32 8.062 18.824 -23.145 227 HB2 ASP 32 HB2 ASP 32 10.193 18.361 -22.199 228 HB3 ASP 32 HB3 ASP 32 10.351 18.055 -23.927 229 H ASP 33 H ASP 33 7.702 19.763 -21.182 230 HA ASP 33 HA ASP 33 8.437 22.606 -20.924 231 HB2 ASP 33 HB2 ASP 33 5.905 21.298 -19.907 232 HB3 ASP 33 HB3 ASP 33 6.325 23.004 -19.778 233 H CYS 34 H CYS 34 9.001 19.609 -19.743 234 HA CYS 34 HA CYS 34 9.239 20.467 -16.947 235 HB2 CYS 34 HB2 CYS 34 8.095 18.277 -17.590 236 HB3 CYS 34 HB3 CYS 34 9.697 17.683 -18.014 237 H GLY 35 H GLY 35 11.159 18.598 -19.311 238 HA2 GLY 35 HA2 GLY 35 13.408 19.424 -19.856 239 HA3 GLY 35 HA3 GLY 35 13.570 19.863 -18.162 240 H ASN 36 H ASN 36 12.361 17.415 -17.171 241 HA ASN 36 HA ASN 36 14.718 15.734 -17.350 242 HB2 ASN 36 HB2 ASN 36 12.366 14.874 -15.752 243 HB3 ASN 36 HB3 ASN 36 14.079 14.839 -15.344 244 HD21 ASN 36 HD21 ASN 36 11.459 15.958 -14.142 245 HD22 ASN 36 HD22 ASN 36 11.924 17.536 -13.611 246 H GLY 37 H GLY 37 11.374 15.715 -18.374 247 HA2 GLY 37 HA2 GLY 37 10.889 14.433 -20.406 248 HA3 GLY 37 HA3 GLY 37 11.890 13.149 -19.744 249 H ALA 38 H ALA 38 9.612 14.965 -17.808 250 HA ALA 38 HA ALA 38 8.107 12.489 -17.367 251 HB1 ALA 38 HB1 ALA 38 9.028 14.528 -15.645 252 HB2 ALA 38 HB2 ALA 38 7.265 14.588 -15.632 253 HB3 ALA 38 HB3 ALA 38 8.099 13.086 -15.232 254 H ASP 39 H ASP 39 7.471 15.973 -17.799 255 HA ASP 39 HA ASP 39 4.702 15.705 -18.220 256 HB2 ASP 39 HB2 ASP 39 4.697 17.979 -18.760 257 HB3 ASP 39 HB3 ASP 39 6.099 17.823 -17.705 258 H GLU 40 H GLU 40 7.427 15.275 -20.318 259 HA GLU 40 HA GLU 40 6.253 15.642 -22.817 260 HB2 GLU 40 HB2 GLU 40 8.485 13.871 -21.857 261 HB3 GLU 40 HB3 GLU 40 7.974 13.854 -23.539 262 HG2 GLU 40 HG2 GLU 40 8.793 16.366 -22.114 263 HG3 GLU 40 HG3 GLU 40 9.932 15.335 -22.977 264 H GLU 41 H GLU 41 6.008 12.993 -20.559 265 HA GLU 41 HA GLU 41 4.935 11.079 -22.357 266 HB2 GLU 41 HB2 GLU 41 4.468 11.214 -19.378 267 HB3 GLU 41 HB3 GLU 41 4.377 9.793 -20.408 268 HG2 GLU 41 HG2 GLU 41 6.825 11.330 -19.597 269 HG3 GLU 41 HG3 GLU 41 6.411 9.660 -19.213 270 H ASN 42 H ASN 42 2.633 10.126 -21.327 271 HA ASN 42 HA ASN 42 0.371 10.354 -21.373 272 HB2 ASN 42 HB2 ASN 42 1.303 12.473 -19.786 273 HB3 ASN 42 HB3 ASN 42 0.128 13.195 -20.882 274 HD21 ASN 42 HD21 ASN 42 0.515 10.298 -18.870 275 HD22 ASN 42 HD22 ASN 42 -1.103 10.294 -18.266 276 H CYS 43 H CYS 43 2.181 11.138 -23.692 277 HA CYS 43 HA CYS 43 0.042 12.041 -25.418 278 HB2 CYS 43 HB2 CYS 43 2.304 13.778 -24.637 279 HB3 CYS 43 HB3 CYS 43 1.951 13.719 -26.361 280 H GLY 44 H GLY 44 1.951 9.734 -24.951 281 HA2 GLY 44 HA2 GLY 44 3.095 8.205 -26.225 282 HA3 GLY 44 HA3 GLY 44 2.233 8.893 -27.593 Start of MODEL 15 1 H1 GLY 1 H GLY 1 10.262 1.787 -2.886 2 HA2 GLY 1 HA2 GLY 1 7.888 1.817 -1.184 3 HA3 GLY 1 HA3 GLY 1 9.396 2.340 -0.449 4 H SER 2 H SER 2 6.910 3.102 -2.765 5 HA SER 2 HA SER 2 8.011 5.378 -3.945 6 HB2 SER 2 HB2 SER 2 5.981 4.381 -4.818 7 HB3 SER 2 HB3 SER 2 5.120 4.731 -3.320 8 HG SER 2 HG SER 2 4.572 6.436 -4.478 9 H MET 3 H MET 3 8.178 7.483 -3.369 10 HA MET 3 HA MET 3 7.283 8.192 -0.652 11 HB2 MET 3 HB2 MET 3 9.631 9.385 -2.129 12 HB3 MET 3 HB3 MET 3 9.192 9.640 -0.445 13 HG2 MET 3 HG2 MET 3 9.501 7.049 -0.285 14 HG3 MET 3 HG3 MET 3 10.474 7.286 -1.735 15 HE1 MET 3 HE1 MET 3 13.785 7.846 -0.261 16 HE2 MET 3 HE2 MET 3 12.745 6.589 -0.930 17 HE3 MET 3 HE3 MET 3 12.882 8.148 -1.746 18 H ILE 4 H ILE 4 7.822 9.406 -3.934 19 HA ILE 4 HA ILE 4 6.510 11.911 -3.406 20 HB ILE 4 HB ILE 4 6.719 12.300 -5.831 21 HG12 ILE 4 HG12 ILE 4 8.111 9.624 -5.961 22 HG13 ILE 4 HG13 ILE 4 6.425 9.844 -6.415 23 HG21 ILE 4 HG21 ILE 4 8.559 12.885 -4.349 24 HG22 ILE 4 HG22 ILE 4 9.228 11.264 -4.519 25 HG23 ILE 4 HG23 ILE 4 9.168 12.343 -5.913 26 HD11 ILE 4 HD11 ILE 4 8.869 10.528 -7.858 27 HD12 ILE 4 HD12 ILE 4 7.247 10.182 -8.460 28 HD13 ILE 4 HD13 ILE 4 7.642 11.795 -7.865 29 H THR 5 H THR 5 4.529 12.613 -4.283 30 HA THR 5 HA THR 5 2.780 10.768 -5.632 31 HB THR 5 HB THR 5 1.016 11.269 -3.688 32 HG1 THR 5 HG1 THR 5 2.142 10.992 -1.662 33 HG21 THR 5 HG21 THR 5 1.821 9.058 -4.663 34 HG22 THR 5 HG22 THR 5 1.272 9.027 -2.988 35 HG23 THR 5 HG23 THR 5 2.997 9.029 -3.350 36 HA PRO 6 HA PRO 6 0.914 14.463 -7.089 37 HB2 PRO 6 HB2 PRO 6 -1.677 13.716 -7.403 38 HB3 PRO 6 HB3 PRO 6 -0.379 13.152 -8.463 39 HG2 PRO 6 HG2 PRO 6 -1.667 11.765 -6.144 40 HG3 PRO 6 HG3 PRO 6 -1.219 11.111 -7.730 41 HD2 PRO 6 HD2 PRO 6 0.294 10.730 -5.517 42 HD3 PRO 6 HD3 PRO 6 0.996 10.863 -7.142 43 H SER 7 H SER 7 0.721 16.182 -5.792 44 HA SER 7 HA SER 7 -1.543 16.280 -3.938 45 HB2 SER 7 HB2 SER 7 1.318 16.945 -3.212 46 HB3 SER 7 HB3 SER 7 -0.077 17.383 -2.226 47 HG SER 7 HG SER 7 -0.565 15.057 -2.258 48 H CYS 8 H CYS 8 -1.176 17.434 -6.530 49 HA CYS 8 HA CYS 8 -0.829 20.288 -5.930 50 HB2 CYS 8 HB2 CYS 8 0.161 18.796 -8.008 51 HB3 CYS 8 HB3 CYS 8 -1.271 19.520 -8.732 52 H GLN 9 H GLN 9 -2.314 21.681 -7.456 53 HA GLN 9 HA GLN 9 -5.024 20.579 -7.548 54 HB2 GLN 9 HB2 GLN 9 -4.232 23.122 -6.125 55 HB3 GLN 9 HB3 GLN 9 -5.892 22.705 -6.531 56 HG2 GLN 9 HG2 GLN 9 -6.055 21.167 -4.892 57 HG3 GLN 9 HG3 GLN 9 -4.370 20.669 -5.040 58 HE21 GLN 9 HE22 GLN 9 -3.370 20.974 -3.192 59 HE22 GLN 9 HE21 GLN 9 -3.521 22.353 -2.163 60 H LYS 10 H LYS 10 -6.517 22.473 -8.472 61 HA LYS 10 HA LYS 10 -7.078 23.727 -10.285 62 HB2 LYS 10 HB2 LYS 10 -4.542 24.732 -9.419 63 HB3 LYS 10 HB3 LYS 10 -4.590 24.763 -11.177 64 HG2 LYS 10 HG2 LYS 10 -6.660 25.987 -9.364 65 HG3 LYS 10 HG3 LYS 10 -5.360 26.864 -10.174 66 HD2 LYS 10 HD2 LYS 10 -7.442 25.236 -11.625 67 HD3 LYS 10 HD3 LYS 10 -7.587 26.970 -11.325 68 HE2 LYS 10 HE2 LYS 10 -5.264 27.117 -12.449 69 HE3 LYS 10 HE3 LYS 10 -5.634 25.507 -13.064 70 HZ1 LYS 10 HZ1 LYS 10 -7.041 28.047 -13.608 71 HZ2 LYS 10 HZ2 LYS 10 -7.788 26.554 -13.879 72 HZ3 LYS 10 HZ3 LYS 10 -6.371 26.955 -14.712 73 H GLY 11 H GLY 11 -5.898 20.937 -10.491 74 HA2 GLY 11 HA2 GLY 11 -5.915 19.492 -12.326 75 HA3 GLY 11 HA3 GLY 11 -5.848 20.886 -13.394 76 H TYR 12 H TYR 12 -3.515 21.606 -11.331 77 HA TYR 12 HA TYR 12 -1.421 20.939 -13.113 78 HB2 TYR 12 HB2 TYR 12 -1.485 22.054 -10.318 79 HB3 TYR 12 HB3 TYR 12 0.037 21.692 -11.125 80 HD1 TYR 12 HD2 TYR 12 -3.175 23.384 -12.046 81 HD2 TYR 12 HD1 TYR 12 1.077 23.528 -12.035 82 HE1 TYR 12 HE2 TYR 12 -3.252 25.575 -13.161 83 HE2 TYR 12 HE1 TYR 12 1.012 25.720 -13.150 84 HH TYR 12 HH TYR 12 -0.901 27.689 -13.225 85 H PHE 13 H PHE 13 0.496 19.666 -12.589 86 HA PHE 13 HA PHE 13 0.102 17.524 -10.645 87 HB2 PHE 13 HB2 PHE 13 0.137 15.773 -12.132 88 HB3 PHE 13 HB3 PHE 13 -0.699 16.972 -13.113 89 HD1 PHE 13 HD2 PHE 13 1.039 18.580 -14.425 90 HD2 PHE 13 HD1 PHE 13 1.768 14.573 -13.188 91 HE1 PHE 13 HE2 PHE 13 2.764 18.360 -16.165 92 HE2 PHE 13 HE1 PHE 13 3.495 14.346 -14.925 93 HZ PHE 13 HZ PHE 13 3.994 16.241 -16.418 94 HA PRO 14 HA PRO 14 4.398 18.148 -9.944 95 HB2 PRO 14 HB2 PRO 14 5.023 15.757 -8.822 96 HB3 PRO 14 HB3 PRO 14 4.095 17.001 -7.977 97 HG2 PRO 14 HG2 PRO 14 3.125 14.553 -9.402 98 HG3 PRO 14 HG3 PRO 14 2.604 15.221 -7.844 99 HD2 PRO 14 HD2 PRO 14 1.201 15.591 -10.131 100 HD3 PRO 14 HD3 PRO 14 1.248 16.801 -8.833 101 H CYS 15 H CYS 15 6.313 17.830 -10.972 102 HA CYS 15 HA CYS 15 6.417 16.612 -13.463 103 HB2 CYS 15 HB2 CYS 15 8.051 18.287 -12.159 104 HB3 CYS 15 HB3 CYS 15 8.952 16.794 -11.921 105 H GLY 16 H GLY 16 8.113 14.878 -14.042 106 HA2 GLY 16 HA2 GLY 16 7.262 12.406 -13.149 107 HA3 GLY 16 HA3 GLY 16 8.810 12.692 -13.929 108 H ASN 17 H ASN 17 10.401 13.878 -12.302 109 HA ASN 17 HA ASN 17 10.319 12.329 -9.795 110 HB2 ASN 17 HB2 ASN 17 12.129 11.844 -11.625 111 HB3 ASN 17 HB3 ASN 17 12.887 13.305 -10.998 112 HD21 ASN 17 HD21 ASN 17 13.172 13.349 -8.598 113 HD22 ASN 17 HD22 ASN 17 13.664 11.878 -7.836 114 H LEU 18 H LEU 18 10.822 15.424 -11.286 115 HA LEU 18 HA LEU 18 11.952 16.742 -9.035 116 HB2 LEU 18 HB2 LEU 18 10.762 17.562 -11.627 117 HB3 LEU 18 HB3 LEU 18 10.868 18.779 -10.356 118 HG LEU 18 HG LEU 18 13.215 17.221 -11.436 119 HD11 LEU 18 HD11 LEU 18 13.338 18.651 -13.123 120 HD12 LEU 18 HD12 LEU 18 13.301 20.016 -12.007 121 HD13 LEU 18 HD13 LEU 18 11.793 19.343 -12.627 122 HD21 LEU 18 HD21 LEU 18 13.688 17.918 -9.226 123 HD22 LEU 18 HD22 LEU 18 12.951 19.498 -9.487 124 HD23 LEU 18 HD23 LEU 18 14.469 19.089 -10.288 125 H THR 19 H THR 19 10.671 18.834 -8.265 126 HA THR 19 HA THR 19 8.072 17.866 -7.272 127 HB THR 19 HB THR 19 9.757 18.178 -5.503 128 HG1 THR 19 HG1 THR 19 7.602 18.563 -4.939 129 HG21 THR 19 HG21 THR 19 10.856 20.167 -5.076 130 HG22 THR 19 HG22 THR 19 9.657 21.135 -5.935 131 HG23 THR 19 HG23 THR 19 10.815 20.161 -6.839 132 H LYS 20 H LYS 20 8.816 19.476 -9.746 133 HA LYS 20 HA LYS 20 7.500 22.019 -9.228 134 HB2 LYS 20 HB2 LYS 20 9.433 22.092 -10.666 135 HB3 LYS 20 HB3 LYS 20 8.760 20.848 -11.712 136 HG2 LYS 20 HG2 LYS 20 6.967 22.378 -12.370 137 HG3 LYS 20 HG3 LYS 20 7.659 23.626 -11.331 138 HD2 LYS 20 HD2 LYS 20 9.548 23.870 -12.686 139 HD3 LYS 20 HD3 LYS 20 9.288 22.318 -13.484 140 HE2 LYS 20 HE2 LYS 20 8.085 23.291 -15.079 141 HE3 LYS 20 HE3 LYS 20 7.005 24.003 -13.881 142 HZ1 LYS 20 HZ1 LYS 20 8.147 25.638 -15.333 143 HZ2 LYS 20 HZ2 LYS 20 9.622 25.175 -14.647 144 HZ3 LYS 20 HZ3 LYS 20 8.427 25.885 -13.682 145 H CYS 21 H CYS 21 5.462 22.528 -9.799 146 HA CYS 21 HA CYS 21 3.811 20.376 -10.905 147 HB2 CYS 21 HB2 CYS 21 3.335 22.664 -9.088 148 HB3 CYS 21 HB3 CYS 21 2.021 22.276 -10.195 149 H LEU 22 H LEU 22 3.064 20.451 -12.918 150 HA LEU 22 HA LEU 22 3.429 22.921 -14.452 151 HB2 LEU 22 HB2 LEU 22 3.194 20.031 -15.181 152 HB3 LEU 22 HB3 LEU 22 2.864 21.277 -16.383 153 HG LEU 22 HG LEU 22 5.400 21.709 -15.038 154 HD11 LEU 22 HD11 LEU 22 4.744 18.994 -15.809 155 HD12 LEU 22 HD12 LEU 22 6.141 19.615 -14.930 156 HD13 LEU 22 HD13 LEU 22 6.135 19.621 -16.694 157 HD21 LEU 22 HD21 LEU 22 6.166 21.745 -17.415 158 HD22 LEU 22 HD22 LEU 22 4.845 22.858 -17.058 159 HD23 LEU 22 HD23 LEU 22 4.518 21.340 -17.896 160 HA PRO 23 HA PRO 23 -0.861 23.761 -14.837 161 HB2 PRO 23 HB2 PRO 23 -1.022 24.680 -17.386 162 HB3 PRO 23 HB3 PRO 23 -0.280 25.606 -16.076 163 HG2 PRO 23 HG2 PRO 23 1.025 23.937 -18.191 164 HG3 PRO 23 HG3 PRO 23 1.495 25.533 -17.577 165 HD2 PRO 23 HD2 PRO 23 2.711 23.248 -16.780 166 HD3 PRO 23 HD3 PRO 23 2.518 24.651 -15.709 167 H ARG 24 H ARG 24 -2.819 23.315 -16.197 168 HA ARG 24 HA ARG 24 -2.917 20.528 -16.838 169 HB2 ARG 24 HB2 ARG 24 -5.297 20.984 -17.372 170 HB3 ARG 24 HB3 ARG 24 -4.825 21.564 -15.780 171 HG2 ARG 24 HG2 ARG 24 -5.878 23.435 -16.411 172 HG3 ARG 24 HG3 ARG 24 -4.378 23.773 -17.277 173 HD2 ARG 24 HD2 ARG 24 -5.985 24.093 -18.912 174 HD3 ARG 24 HD3 ARG 24 -5.470 22.432 -19.201 175 HE ARG 24 HE ARG 24 -7.614 22.287 -17.467 176 HH11 ARG 24 HH11 ARG 24 -7.010 23.458 -20.689 177 HH12 ARG 24 HH12 ARG 24 -8.623 23.155 -21.243 178 HH21 ARG 24 HH21 ARG 24 -9.742 21.884 -18.184 179 HH22 ARG 24 HH22 ARG 24 -10.177 22.260 -19.816 180 H ALA 25 H ALA 25 -2.477 23.449 -18.629 181 HA ALA 25 HA ALA 25 -3.337 22.556 -21.168 182 HB1 ALA 25 HB1 ALA 25 -1.868 24.411 -22.020 183 HB2 ALA 25 HB2 ALA 25 -3.082 24.890 -20.833 184 HB3 ALA 25 HB3 ALA 25 -1.397 24.704 -20.346 185 H PHE 26 H PHE 26 -0.678 21.675 -19.271 186 HA PHE 26 HA PHE 26 1.348 21.237 -21.121 187 HB2 PHE 26 HB2 PHE 26 2.385 19.953 -19.495 188 HB3 PHE 26 HB3 PHE 26 1.278 20.915 -18.522 189 HD1 PHE 26 HD1 PHE 26 -1.163 19.765 -18.347 190 HD2 PHE 26 HD2 PHE 26 2.527 17.736 -18.966 191 HE1 PHE 26 HE1 PHE 26 -2.146 17.704 -17.429 192 HE2 PHE 26 HE2 PHE 26 1.550 15.672 -18.050 193 HZ PHE 26 HZ PHE 26 -0.790 15.654 -17.281 194 H HIS 27 H HIS 27 -1.656 19.614 -20.722 195 HA HIS 27 HA HIS 27 -1.106 17.084 -21.740 196 HB2 HIS 27 HB2 HIS 27 -3.256 17.490 -20.796 197 HB3 HIS 27 HB3 HIS 27 -3.578 18.806 -21.922 198 HD1 HIS 27 HD1 HIS 27 -3.615 15.086 -21.642 199 HD2 HIS 27 HD2 HIS 27 -4.441 18.013 -24.473 200 HE1 HIS 27 HE1 HIS 27 -4.827 13.901 -23.501 201 H CYS 28 H CYS 28 0.229 16.947 -23.476 202 HA CYS 28 HA CYS 28 0.927 17.013 -25.640 203 HB2 CYS 28 HB2 CYS 28 -2.044 17.274 -25.893 204 HB3 CYS 28 HB3 CYS 28 -1.043 17.468 -27.328 205 H ASP 29 H ASP 29 2.281 18.736 -25.725 206 HA ASP 29 HA ASP 29 1.099 21.311 -26.537 207 HB2 ASP 29 HB2 ASP 29 3.755 21.119 -25.148 208 HB3 ASP 29 HB3 ASP 29 2.666 22.498 -25.270 209 H GLY 30 H GLY 30 3.936 19.196 -26.799 210 HA2 GLY 30 HA2 GLY 30 4.531 18.802 -29.232 211 HA3 GLY 30 HA3 GLY 30 4.609 20.555 -29.332 212 H LYS 31 H LYS 31 5.755 20.546 -26.517 213 HA LYS 31 HA LYS 31 8.385 19.375 -26.969 214 HB2 LYS 31 HB2 LYS 31 9.471 21.576 -26.365 215 HB3 LYS 31 HB3 LYS 31 8.742 21.504 -27.964 216 HG2 LYS 31 HG2 LYS 31 6.945 22.859 -27.333 217 HG3 LYS 31 HG3 LYS 31 7.257 22.622 -25.612 218 HD2 LYS 31 HD2 LYS 31 9.504 23.794 -27.076 219 HD3 LYS 31 HD3 LYS 31 8.048 24.792 -27.081 220 HE2 LYS 31 HE2 LYS 31 8.678 23.628 -24.474 221 HE3 LYS 31 HE3 LYS 31 9.923 24.716 -25.085 222 HZ1 LYS 31 HZ1 LYS 31 8.401 26.480 -25.215 223 HZ2 LYS 31 HZ2 LYS 31 8.102 25.756 -23.716 224 HZ3 LYS 31 HZ3 LYS 31 7.060 25.467 -25.017 225 H ASP 32 H ASP 32 9.837 19.944 -24.986 226 HA ASP 32 HA ASP 32 8.537 18.923 -22.690 227 HB2 ASP 32 HB2 ASP 32 10.728 19.488 -21.549 228 HB3 ASP 32 HB3 ASP 32 10.851 18.433 -22.955 229 H ASP 33 H ASP 33 7.709 19.896 -20.920 230 HA ASP 33 HA ASP 33 7.662 22.840 -20.923 231 HB2 ASP 33 HB2 ASP 33 5.676 20.859 -19.791 232 HB3 ASP 33 HB3 ASP 33 5.573 22.604 -19.573 233 H CYS 34 H CYS 34 8.401 19.995 -19.074 234 HA CYS 34 HA CYS 34 8.761 21.467 -16.601 235 HB2 CYS 34 HB2 CYS 34 7.991 18.959 -16.968 236 HB3 CYS 34 HB3 CYS 34 9.726 18.662 -16.949 237 H GLY 35 H GLY 35 10.658 20.364 -19.282 238 HA2 GLY 35 HA2 GLY 35 12.792 21.187 -19.824 239 HA3 GLY 35 HA3 GLY 35 12.987 21.716 -18.160 240 H ASN 36 H ASN 36 11.959 18.877 -17.447 241 HA ASN 36 HA ASN 36 14.628 17.684 -17.453 242 HB2 ASN 36 HB2 ASN 36 13.612 17.808 -15.279 243 HB3 ASN 36 HB3 ASN 36 12.129 17.063 -15.870 244 HD21 ASN 36 HD21 ASN 36 12.097 15.302 -14.584 245 HD22 ASN 36 HD22 ASN 36 13.296 14.059 -14.611 246 H GLY 37 H GLY 37 11.479 17.276 -18.824 247 HA2 GLY 37 HA2 GLY 37 11.084 15.971 -20.758 248 HA3 GLY 37 HA3 GLY 37 12.480 14.985 -20.349 249 H ALA 38 H ALA 38 9.691 15.885 -18.350 250 HA ALA 38 HA ALA 38 9.076 13.013 -18.095 251 HB1 ALA 38 HB1 ALA 38 8.231 14.919 -15.980 252 HB2 ALA 38 HB2 ALA 38 8.715 13.227 -15.854 253 HB3 ALA 38 HB3 ALA 38 9.937 14.480 -16.070 254 H ASP 39 H ASP 39 7.572 16.234 -17.808 255 HA ASP 39 HA ASP 39 4.916 15.393 -17.957 256 HB2 ASP 39 HB2 ASP 39 4.346 17.644 -18.234 257 HB3 ASP 39 HB3 ASP 39 5.894 17.724 -17.397 258 H GLU 40 H GLU 40 7.326 15.636 -20.405 259 HA GLU 40 HA GLU 40 5.828 16.023 -22.704 260 HB2 GLU 40 HB2 GLU 40 8.316 14.402 -22.198 261 HB3 GLU 40 HB3 GLU 40 7.623 14.568 -23.805 262 HG2 GLU 40 HG2 GLU 40 8.212 17.010 -22.203 263 HG3 GLU 40 HG3 GLU 40 9.525 16.158 -23.014 264 H GLU 41 H GLU 41 6.251 13.130 -20.762 265 HA GLU 41 HA GLU 41 5.098 11.310 -22.603 266 HB2 GLU 41 HB2 GLU 41 5.151 11.059 -19.594 267 HB3 GLU 41 HB3 GLU 41 5.012 9.756 -20.766 268 HG2 GLU 41 HG2 GLU 41 7.412 11.552 -20.590 269 HG3 GLU 41 HG3 GLU 41 7.265 10.041 -19.694 270 H ASN 42 H ASN 42 3.138 9.958 -21.271 271 HA ASN 42 HA ASN 42 0.897 9.898 -20.884 272 HB2 ASN 42 HB2 ASN 42 1.036 12.815 -20.130 273 HB3 ASN 42 HB3 ASN 42 -0.102 11.597 -19.562 274 HD21 ASN 42 HD21 ASN 42 0.865 9.780 -18.327 275 HD22 ASN 42 HD22 ASN 42 2.158 10.148 -17.243 276 H CYS 43 H CYS 43 2.215 11.146 -23.397 277 HA CYS 43 HA CYS 43 -0.293 11.700 -24.726 278 HB2 CYS 43 HB2 CYS 43 1.415 13.843 -23.875 279 HB3 CYS 43 HB3 CYS 43 1.408 13.775 -25.635 280 H GLY 44 H GLY 44 2.036 9.788 -24.751 281 HA2 GLY 44 HA2 GLY 44 3.113 8.538 -26.349 282 HA3 GLY 44 HA3 GLY 44 2.128 9.366 -27.545 Start of MODEL 16 1 H1 GLY 1 H GLY 1 11.119 9.864 6.879 2 HA2 GLY 1 HA2 GLY 1 9.294 11.542 6.173 3 HA3 GLY 1 HA3 GLY 1 10.946 12.142 6.202 4 H SER 2 H SER 2 10.153 13.707 4.631 5 HA SER 2 HA SER 2 10.515 12.698 1.921 6 HB2 SER 2 HB2 SER 2 8.228 14.582 2.371 7 HB3 SER 2 HB3 SER 2 8.500 13.453 1.044 8 HG SER 2 HG SER 2 7.405 13.015 3.567 9 H MET 3 H MET 3 11.142 14.306 0.412 10 HA MET 3 HA MET 3 12.222 16.720 1.694 11 HB2 MET 3 HB2 MET 3 13.143 14.977 -0.533 12 HB3 MET 3 HB3 MET 3 13.515 16.692 -0.644 13 HG2 MET 3 HG2 MET 3 14.853 16.655 1.250 14 HG3 MET 3 HG3 MET 3 14.141 15.155 1.841 15 HE1 MET 3 HE1 MET 3 17.094 16.650 0.824 16 HE2 MET 3 HE2 MET 3 17.376 15.280 1.898 17 HE3 MET 3 HE3 MET 3 18.117 15.313 0.298 18 H ILE 4 H ILE 4 10.311 15.561 -1.016 19 HA ILE 4 HA ILE 4 9.982 18.182 -2.166 20 HB ILE 4 HB ILE 4 8.379 15.696 -2.763 21 HG12 ILE 4 HG12 ILE 4 10.804 15.289 -3.026 22 HG13 ILE 4 HG13 ILE 4 9.958 15.261 -4.569 23 HG21 ILE 4 HG21 ILE 4 8.774 17.360 -5.018 24 HG22 ILE 4 HG22 ILE 4 7.268 16.990 -4.180 25 HG23 ILE 4 HG23 ILE 4 8.233 18.381 -3.686 26 HD11 ILE 4 HD11 ILE 4 11.316 16.809 -5.361 27 HD12 ILE 4 HD12 ILE 4 10.864 17.912 -4.060 28 HD13 ILE 4 HD13 ILE 4 12.203 16.786 -3.837 29 H THR 5 H THR 5 8.342 19.587 -1.881 30 HA THR 5 HA THR 5 6.225 18.815 0.020 31 HB THR 5 HB THR 5 6.100 21.472 0.187 32 HG1 THR 5 HG1 THR 5 8.501 22.051 0.249 33 HG21 THR 5 HG21 THR 5 6.809 19.521 1.871 34 HG22 THR 5 HG22 THR 5 6.974 21.230 2.277 35 HG23 THR 5 HG23 THR 5 8.372 20.320 1.705 36 HA PRO 6 HA PRO 6 4.201 19.702 -4.075 37 HB2 PRO 6 HB2 PRO 6 2.572 17.531 -4.009 38 HB3 PRO 6 HB3 PRO 6 4.214 17.480 -4.660 39 HG2 PRO 6 HG2 PRO 6 3.216 16.630 -1.969 40 HG3 PRO 6 HG3 PRO 6 4.366 15.815 -3.044 41 HD2 PRO 6 HD2 PRO 6 5.155 17.281 -0.908 42 HD3 PRO 6 HD3 PRO 6 6.121 17.161 -2.393 43 H SER 7 H SER 7 2.631 21.168 -3.973 44 HA SER 7 HA SER 7 0.398 20.734 -2.113 45 HB2 SER 7 HB2 SER 7 0.933 23.555 -2.437 46 HB3 SER 7 HB3 SER 7 0.815 22.608 -0.954 47 HG SER 7 HG SER 7 3.112 22.879 -2.601 48 H CYS 8 H CYS 8 0.793 20.358 -5.033 49 HA CYS 8 HA CYS 8 -1.326 22.179 -5.972 50 HB2 CYS 8 HB2 CYS 8 -0.336 21.746 -8.284 51 HB3 CYS 8 HB3 CYS 8 0.601 22.775 -7.205 52 H GLN 9 H GLN 9 -3.113 21.280 -6.820 53 HA GLN 9 HA GLN 9 -3.086 18.541 -7.776 54 HB2 GLN 9 HB2 GLN 9 -4.994 17.893 -6.312 55 HB3 GLN 9 HB3 GLN 9 -3.494 18.163 -5.435 56 HG2 GLN 9 HG2 GLN 9 -4.257 20.101 -4.453 57 HG3 GLN 9 HG3 GLN 9 -5.465 20.383 -5.705 58 HE21 GLN 9 HE22 GLN 9 -5.826 20.393 -2.848 59 HE22 GLN 9 HE21 GLN 9 -6.990 19.169 -2.488 60 H LYS 10 H LYS 10 -5.036 17.953 -8.911 61 HA LYS 10 HA LYS 10 -6.737 18.335 -10.372 62 HB2 LYS 10 HB2 LYS 10 -7.740 19.294 -8.209 63 HB3 LYS 10 HB3 LYS 10 -7.350 20.874 -8.874 64 HG2 LYS 10 HG2 LYS 10 -8.690 19.497 -10.912 65 HG3 LYS 10 HG3 LYS 10 -9.585 19.167 -9.427 66 HD2 LYS 10 HD2 LYS 10 -10.585 21.127 -10.013 67 HD3 LYS 10 HD3 LYS 10 -9.228 21.780 -9.092 68 HE2 LYS 10 HE2 LYS 10 -8.429 22.815 -10.891 69 HE3 LYS 10 HE3 LYS 10 -8.458 21.320 -11.824 70 HZ1 LYS 10 HZ1 LYS 10 -9.838 23.088 -12.793 71 HZ2 LYS 10 HZ2 LYS 10 -10.804 23.091 -11.405 72 HZ3 LYS 10 HZ3 LYS 10 -10.743 21.717 -12.390 73 H GLY 11 H GLY 11 -5.910 18.774 -12.326 74 HA2 GLY 11 HA2 GLY 11 -5.729 20.257 -14.159 75 HA3 GLY 11 HA3 GLY 11 -5.532 21.589 -13.030 76 H TYR 12 H TYR 12 -3.464 21.009 -11.506 77 HA TYR 12 HA TYR 12 -1.254 20.909 -13.413 78 HB2 TYR 12 HB2 TYR 12 -1.494 21.874 -10.569 79 HB3 TYR 12 HB3 TYR 12 0.070 21.671 -11.350 80 HD1 TYR 12 HD2 TYR 12 -3.238 23.177 -12.252 81 HD2 TYR 12 HD1 TYR 12 0.992 23.619 -12.149 82 HE1 TYR 12 HE2 TYR 12 -3.453 25.414 -13.251 83 HE2 TYR 12 HE1 TYR 12 0.789 25.858 -13.146 84 HH TYR 12 HH TYR 12 -0.662 27.233 -14.303 85 H PHE 13 H PHE 13 0.703 19.718 -12.875 86 HA PHE 13 HA PHE 13 0.337 17.459 -11.055 87 HB2 PHE 13 HB2 PHE 13 0.580 15.808 -12.627 88 HB3 PHE 13 HB3 PHE 13 -0.238 17.015 -13.614 89 HD1 PHE 13 HD2 PHE 13 1.302 18.642 -14.928 90 HD2 PHE 13 HD1 PHE 13 2.567 14.895 -13.354 91 HE1 PHE 13 HE2 PHE 13 3.177 18.610 -16.520 92 HE2 PHE 13 HE1 PHE 13 4.445 14.858 -14.944 93 HZ PHE 13 HZ PHE 13 4.751 16.716 -16.531 94 HA PRO 14 HA PRO 14 4.531 18.231 -10.006 95 HB2 PRO 14 HB2 PRO 14 5.291 15.762 -9.171 96 HB3 PRO 14 HB3 PRO 14 4.212 16.803 -8.235 97 HG2 PRO 14 HG2 PRO 14 3.539 14.508 -10.035 98 HG3 PRO 14 HG3 PRO 14 2.872 14.914 -8.443 99 HD2 PRO 14 HD2 PRO 14 1.579 15.487 -10.752 100 HD3 PRO 14 HD3 PRO 14 1.448 16.507 -9.305 101 H CYS 15 H CYS 15 6.474 18.272 -11.000 102 HA CYS 15 HA CYS 15 6.761 17.049 -13.560 103 HB2 CYS 15 HB2 CYS 15 8.175 19.031 -11.960 104 HB3 CYS 15 HB3 CYS 15 9.279 17.970 -12.829 105 H GLY 16 H GLY 16 6.527 14.801 -12.939 106 HA2 GLY 16 HA2 GLY 16 7.385 12.709 -12.544 107 HA3 GLY 16 HA3 GLY 16 8.962 13.425 -12.843 108 H ASN 17 H ASN 17 10.289 13.928 -11.142 109 HA ASN 17 HA ASN 17 9.277 13.232 -8.463 110 HB2 ASN 17 HB2 ASN 17 11.320 11.963 -9.916 111 HB3 ASN 17 HB3 ASN 17 12.142 12.926 -8.691 112 HD21 ASN 17 HD21 ASN 17 11.068 12.751 -6.466 113 HD22 ASN 17 HD22 ASN 17 10.661 11.151 -5.958 114 H LEU 18 H LEU 18 9.874 15.804 -10.148 115 HA LEU 18 HA LEU 18 11.746 17.154 -8.377 116 HB2 LEU 18 HB2 LEU 18 10.461 17.752 -10.982 117 HB3 LEU 18 HB3 LEU 18 10.918 19.121 -9.971 118 HG LEU 18 HG LEU 18 12.788 16.977 -10.980 119 HD11 LEU 18 HD11 LEU 18 13.471 19.559 -11.894 120 HD12 LEU 18 HD12 LEU 18 11.756 19.321 -12.227 121 HD13 LEU 18 HD13 LEU 18 12.941 18.168 -12.840 122 HD21 LEU 18 HD21 LEU 18 13.595 17.768 -8.887 123 HD22 LEU 18 HD22 LEU 18 13.233 19.442 -9.307 124 HD23 LEU 18 HD23 LEU 18 14.527 18.583 -10.143 125 H THR 19 H THR 19 10.982 19.563 -7.912 126 HA THR 19 HA THR 19 8.466 19.294 -6.424 127 HB THR 19 HB THR 19 10.503 19.886 -5.130 128 HG1 THR 19 HG1 THR 19 9.455 21.923 -4.252 129 HG21 THR 19 HG21 THR 19 11.494 21.279 -7.003 130 HG22 THR 19 HG22 THR 19 11.595 21.977 -5.386 131 HG23 THR 19 HG23 THR 19 10.377 22.555 -6.522 132 H LYS 20 H LYS 20 8.777 19.979 -9.332 133 HA LYS 20 HA LYS 20 7.570 22.663 -9.313 134 HB2 LYS 20 HB2 LYS 20 9.551 22.509 -10.711 135 HB3 LYS 20 HB3 LYS 20 8.883 21.119 -11.556 136 HG2 LYS 20 HG2 LYS 20 7.322 22.404 -12.700 137 HG3 LYS 20 HG3 LYS 20 7.452 23.747 -11.561 138 HD2 LYS 20 HD2 LYS 20 9.794 24.095 -12.354 139 HD3 LYS 20 HD3 LYS 20 9.504 22.868 -13.590 140 HE2 LYS 20 HE2 LYS 20 9.129 24.935 -14.654 141 HE3 LYS 20 HE3 LYS 20 7.526 24.281 -14.319 142 HZ1 LYS 20 HZ1 LYS 20 8.332 26.763 -13.678 143 HZ2 LYS 20 HZ2 LYS 20 8.594 25.948 -12.219 144 HZ3 LYS 20 HZ3 LYS 20 7.056 25.947 -12.924 145 H CYS 21 H CYS 21 5.681 23.057 -10.539 146 HA CYS 21 HA CYS 21 4.163 20.650 -11.296 147 HB2 CYS 21 HB2 CYS 21 3.591 22.380 -9.148 148 HB3 CYS 21 HB3 CYS 21 2.420 22.767 -10.405 149 H LEU 22 H LEU 22 3.266 20.713 -13.259 150 HA LEU 22 HA LEU 22 3.441 23.219 -14.766 151 HB2 LEU 22 HB2 LEU 22 3.308 20.330 -15.528 152 HB3 LEU 22 HB3 LEU 22 2.869 21.575 -16.696 153 HG LEU 22 HG LEU 22 5.475 21.951 -15.377 154 HD11 LEU 22 HD11 LEU 22 6.632 20.257 -16.557 155 HD12 LEU 22 HD12 LEU 22 5.184 19.790 -17.448 156 HD13 LEU 22 HD13 LEU 22 5.298 19.462 -15.719 157 HD21 LEU 22 HD21 LEU 22 6.127 22.608 -17.607 158 HD22 LEU 22 HD22 LEU 22 4.600 23.385 -17.186 159 HD23 LEU 22 HD23 LEU 22 4.612 21.991 -18.266 160 HA PRO 23 HA PRO 23 -0.896 23.859 -14.959 161 HB2 PRO 23 HB2 PRO 23 -1.213 24.789 -17.489 162 HB3 PRO 23 HB3 PRO 23 -0.457 25.739 -16.204 163 HG2 PRO 23 HG2 PRO 23 0.828 24.149 -18.391 164 HG3 PRO 23 HG3 PRO 23 1.251 25.760 -17.782 165 HD2 PRO 23 HD2 PRO 23 2.606 23.529 -17.062 166 HD3 PRO 23 HD3 PRO 23 2.396 24.913 -15.970 167 H ARG 24 H ARG 24 -2.887 23.352 -16.272 168 HA ARG 24 HA ARG 24 -2.900 20.562 -16.907 169 HB2 ARG 24 HB2 ARG 24 -5.284 20.838 -17.245 170 HB3 ARG 24 HB3 ARG 24 -4.794 21.690 -15.787 171 HG2 ARG 24 HG2 ARG 24 -6.122 23.282 -16.699 172 HG3 ARG 24 HG3 ARG 24 -4.602 23.714 -17.486 173 HD2 ARG 24 HD2 ARG 24 -5.555 23.404 -19.466 174 HD3 ARG 24 HD3 ARG 24 -5.825 21.710 -19.059 175 HE ARG 24 HE ARG 24 -7.857 23.160 -17.855 176 HH11 ARG 24 HH11 ARG 24 -6.712 22.504 -21.077 177 HH12 ARG 24 HH12 ARG 24 -8.278 22.651 -21.804 178 HH21 ARG 24 HH21 ARG 24 -9.924 23.356 -18.800 179 HH22 ARG 24 HH22 ARG 24 -10.104 23.136 -20.508 180 H ALA 25 H ALA 25 -2.589 23.485 -18.712 181 HA ALA 25 HA ALA 25 -3.467 22.495 -21.231 182 HB1 ALA 25 HB1 ALA 25 -3.169 24.936 -20.467 183 HB2 ALA 25 HB2 ALA 25 -1.479 24.715 -20.923 184 HB3 ALA 25 HB3 ALA 25 -2.751 24.518 -22.129 185 H PHE 26 H PHE 26 -0.703 21.903 -19.376 186 HA PHE 26 HA PHE 26 1.349 21.671 -21.215 187 HB2 PHE 26 HB2 PHE 26 2.485 20.446 -19.615 188 HB3 PHE 26 HB3 PHE 26 1.273 21.253 -18.623 189 HD1 PHE 26 HD1 PHE 26 -1.037 19.861 -18.519 190 HD2 PHE 26 HD2 PHE 26 2.839 18.232 -19.180 191 HE1 PHE 26 HE1 PHE 26 -1.818 17.678 -17.695 192 HE2 PHE 26 HE2 PHE 26 2.065 16.046 -18.358 193 HZ PHE 26 HZ PHE 26 -0.267 15.767 -17.615 194 H HIS 27 H HIS 27 -1.474 19.716 -20.830 195 HA HIS 27 HA HIS 27 -0.666 17.314 -21.977 196 HB2 HIS 27 HB2 HIS 27 -2.814 17.404 -20.964 197 HB3 HIS 27 HB3 HIS 27 -3.324 18.740 -21.992 198 HD1 HIS 27 HD1 HIS 27 -3.177 15.061 -21.828 199 HD2 HIS 27 HD2 HIS 27 -3.936 17.978 -24.687 200 HE1 HIS 27 HE1 HIS 27 -4.251 13.851 -23.754 201 H CYS 28 H CYS 28 0.522 17.263 -23.792 202 HA CYS 28 HA CYS 28 1.121 17.475 -25.976 203 HB2 CYS 28 HB2 CYS 28 -1.868 17.700 -26.114 204 HB3 CYS 28 HB3 CYS 28 -0.901 17.918 -27.569 205 H ASP 29 H ASP 29 2.416 19.258 -25.953 206 HA ASP 29 HA ASP 29 1.122 21.827 -26.599 207 HB2 ASP 29 HB2 ASP 29 3.805 21.582 -25.250 208 HB3 ASP 29 HB3 ASP 29 2.762 22.997 -25.360 209 H GLY 30 H GLY 30 4.020 19.832 -27.064 210 HA2 GLY 30 HA2 GLY 30 4.559 19.593 -29.527 211 HA3 GLY 30 HA3 GLY 30 4.560 21.350 -29.539 212 H LYS 31 H LYS 31 5.785 21.164 -26.730 213 HA LYS 31 HA LYS 31 8.486 20.290 -27.453 214 HB2 LYS 31 HB2 LYS 31 9.493 22.346 -26.713 215 HB3 LYS 31 HB3 LYS 31 8.283 22.729 -27.931 216 HG2 LYS 31 HG2 LYS 31 6.735 23.454 -26.242 217 HG3 LYS 31 HG3 LYS 31 7.831 22.931 -24.961 218 HD2 LYS 31 HD2 LYS 31 8.782 24.902 -26.993 219 HD3 LYS 31 HD3 LYS 31 7.735 25.447 -25.680 220 HE2 LYS 31 HE2 LYS 31 9.440 24.116 -24.195 221 HE3 LYS 31 HE3 LYS 31 10.509 24.354 -25.577 222 HZ1 LYS 31 HZ1 LYS 31 9.057 26.674 -24.535 223 HZ2 LYS 31 HZ2 LYS 31 10.587 26.593 -25.251 224 HZ3 LYS 31 HZ3 LYS 31 10.378 26.099 -23.647 225 H ASP 32 H ASP 32 9.858 21.077 -25.246 226 HA ASP 32 HA ASP 32 8.618 19.433 -23.169 227 HB2 ASP 32 HB2 ASP 32 11.415 20.193 -23.868 228 HB3 ASP 32 HB3 ASP 32 11.057 19.837 -22.180 229 H ASP 33 H ASP 33 7.660 20.337 -21.483 230 HA ASP 33 HA ASP 33 8.204 23.157 -20.888 231 HB2 ASP 33 HB2 ASP 33 5.921 21.415 -19.935 232 HB3 ASP 33 HB3 ASP 33 6.079 23.153 -19.694 233 H CYS 34 H CYS 34 8.496 19.957 -19.603 234 HA CYS 34 HA CYS 34 9.058 20.910 -16.911 235 HB2 CYS 34 HB2 CYS 34 7.754 18.806 -17.334 236 HB3 CYS 34 HB3 CYS 34 9.226 18.087 -17.979 237 H GLY 35 H GLY 35 10.745 19.231 -19.552 238 HA2 GLY 35 HA2 GLY 35 12.990 19.630 -20.160 239 HA3 GLY 35 HA3 GLY 35 13.261 20.366 -18.587 240 H ASN 36 H ASN 36 11.782 17.903 -17.456 241 HA ASN 36 HA ASN 36 14.201 16.331 -17.113 242 HB2 ASN 36 HB2 ASN 36 12.757 16.987 -15.173 243 HB3 ASN 36 HB3 ASN 36 11.497 15.939 -15.818 244 HD21 ASN 36 HD21 ASN 36 11.461 14.522 -14.134 245 HD22 ASN 36 HD22 ASN 36 12.768 13.458 -13.755 246 H GLY 37 H GLY 37 11.021 16.051 -18.564 247 HA2 GLY 37 HA2 GLY 37 10.780 14.614 -20.503 248 HA3 GLY 37 HA3 GLY 37 11.873 13.477 -19.727 249 H ALA 38 H ALA 38 9.297 15.088 -17.997 250 HA ALA 38 HA ALA 38 7.921 12.491 -17.768 251 HB1 ALA 38 HB1 ALA 38 9.002 13.519 -15.697 252 HB2 ALA 38 HB2 ALA 38 7.703 14.711 -15.759 253 HB3 ALA 38 HB3 ALA 38 7.321 13.001 -15.562 254 H ASP 39 H ASP 39 7.545 15.930 -18.314 255 HA ASP 39 HA ASP 39 4.682 15.888 -18.348 256 HB2 ASP 39 HB2 ASP 39 4.830 18.174 -19.106 257 HB3 ASP 39 HB3 ASP 39 6.033 17.925 -17.843 258 H GLU 40 H GLU 40 7.178 15.211 -20.630 259 HA GLU 40 HA GLU 40 5.764 15.693 -23.023 260 HB2 GLU 40 HB2 GLU 40 8.015 13.766 -22.429 261 HB3 GLU 40 HB3 GLU 40 7.427 14.135 -24.044 262 HG2 GLU 40 HG2 GLU 40 8.699 16.063 -22.117 263 HG3 GLU 40 HG3 GLU 40 9.425 15.397 -23.578 264 H GLU 41 H GLU 41 5.622 13.140 -20.702 265 HA GLU 41 HA GLU 41 4.403 11.211 -22.444 266 HB2 GLU 41 HB2 GLU 41 4.347 11.227 -19.427 267 HB3 GLU 41 HB3 GLU 41 4.153 9.845 -20.495 268 HG2 GLU 41 HG2 GLU 41 6.655 11.419 -19.962 269 HG3 GLU 41 HG3 GLU 41 6.329 9.733 -19.563 270 H ASN 42 H ASN 42 2.283 10.215 -21.059 271 HA ASN 42 HA ASN 42 0.041 10.436 -20.749 272 HB2 ASN 42 HB2 ASN 42 0.465 13.364 -20.185 273 HB3 ASN 42 HB3 ASN 42 -0.772 12.292 -19.536 274 HD21 ASN 42 HD21 ASN 42 1.543 14.022 -18.452 275 HD22 ASN 42 HD22 ASN 42 2.286 12.986 -17.285 276 H CYS 43 H CYS 43 1.500 11.271 -23.315 277 HA CYS 43 HA CYS 43 -0.893 12.098 -24.715 278 HB2 CYS 43 HB2 CYS 43 1.116 14.014 -24.018 279 HB3 CYS 43 HB3 CYS 43 1.137 13.786 -25.764 280 H GLY 44 H GLY 44 1.080 9.836 -24.556 281 HA2 GLY 44 HA2 GLY 44 2.014 9.849 -27.355 282 HA3 GLY 44 HA3 GLY 44 2.705 8.867 -26.071 Start of MODEL 17 1 H1 GLY 1 H GLY 1 17.663 14.780 1.586 2 HA2 GLY 1 HA2 GLY 1 16.800 14.536 -0.672 3 HA3 GLY 1 HA3 GLY 1 15.353 13.819 0.021 4 H SER 2 H SER 2 17.219 16.845 0.003 5 HA SER 2 HA SER 2 16.573 19.026 0.004 6 HB2 SER 2 HB2 SER 2 15.186 18.099 -1.957 7 HB3 SER 2 HB3 SER 2 13.820 18.137 -0.841 8 HG SER 2 HG SER 2 13.669 20.166 -1.320 9 H MET 3 H MET 3 14.383 20.407 0.709 10 HA MET 3 HA MET 3 13.618 19.359 3.351 11 HB2 MET 3 HB2 MET 3 15.126 21.746 2.716 12 HB3 MET 3 HB3 MET 3 13.644 22.150 3.573 13 HG2 MET 3 HG2 MET 3 14.241 20.767 5.415 14 HG3 MET 3 HG3 MET 3 15.607 20.087 4.533 15 HE1 MET 3 HE1 MET 3 17.724 21.784 3.696 16 HE2 MET 3 HE2 MET 3 18.456 22.338 5.203 17 HE3 MET 3 HE3 MET 3 17.837 20.690 5.076 18 H ILE 4 H ILE 4 12.872 22.149 1.252 19 HA ILE 4 HA ILE 4 10.164 22.289 2.059 20 HB ILE 4 HB ILE 4 9.852 23.862 0.232 21 HG12 ILE 4 HG12 ILE 4 12.410 24.129 -0.890 22 HG13 ILE 4 HG13 ILE 4 12.078 22.400 -0.899 23 HG21 ILE 4 HG21 ILE 4 11.471 25.525 0.889 24 HG22 ILE 4 HG22 ILE 4 10.992 24.586 2.302 25 HG23 ILE 4 HG23 ILE 4 12.544 24.278 1.524 26 HD11 ILE 4 HD11 ILE 4 10.145 24.427 -1.976 27 HD12 ILE 4 HD12 ILE 4 11.407 23.682 -2.958 28 HD13 ILE 4 HD13 ILE 4 10.153 22.681 -2.225 29 H THR 5 H THR 5 8.311 21.514 1.151 30 HA THR 5 HA THR 5 8.628 19.634 -1.098 31 HB THR 5 HB THR 5 6.439 18.630 0.028 32 HG1 THR 5 HG1 THR 5 6.685 20.317 1.747 33 HG21 THR 5 HG21 THR 5 8.971 17.897 1.416 34 HG22 THR 5 HG22 THR 5 8.887 17.704 -0.335 35 HG23 THR 5 HG23 THR 5 7.736 16.862 0.702 36 HA PRO 6 HA PRO 6 5.491 21.761 -3.310 37 HB2 PRO 6 HB2 PRO 6 4.148 19.727 -4.504 38 HB3 PRO 6 HB3 PRO 6 5.773 20.223 -4.993 39 HG2 PRO 6 HG2 PRO 6 4.936 17.950 -3.235 40 HG3 PRO 6 HG3 PRO 6 6.161 17.981 -4.517 41 HD2 PRO 6 HD2 PRO 6 6.797 18.145 -1.890 42 HD3 PRO 6 HD3 PRO 6 7.744 18.956 -3.154 43 H SER 7 H SER 7 3.103 21.914 -3.659 44 HA SER 7 HA SER 7 1.331 20.571 -1.865 45 HB2 SER 7 HB2 SER 7 2.651 22.471 -0.549 46 HB3 SER 7 HB3 SER 7 1.428 23.498 -1.296 47 HG SER 7 HG SER 7 0.067 22.782 0.120 48 H CYS 8 H CYS 8 1.442 20.988 -4.653 49 HA CYS 8 HA CYS 8 -0.948 22.663 -5.065 50 HB2 CYS 8 HB2 CYS 8 -0.093 22.870 -7.459 51 HB3 CYS 8 HB3 CYS 8 0.797 23.759 -6.227 52 H GLN 9 H GLN 9 -2.667 21.745 -6.033 53 HA GLN 9 HA GLN 9 -2.369 19.264 -7.519 54 HB2 GLN 9 HB2 GLN 9 -4.148 18.145 -6.179 55 HB3 GLN 9 HB3 GLN 9 -2.653 18.407 -5.291 56 HG2 GLN 9 HG2 GLN 9 -3.605 19.838 -3.837 57 HG3 GLN 9 HG3 GLN 9 -4.677 20.531 -5.053 58 HE21 GLN 9 HE22 GLN 9 -4.895 19.221 -2.243 59 HE22 GLN 9 HE21 GLN 9 -6.279 18.200 -2.409 60 H LYS 10 H LYS 10 -4.755 18.509 -8.129 61 HA LYS 10 HA LYS 10 -6.628 18.944 -9.344 62 HB2 LYS 10 HB2 LYS 10 -6.891 20.481 -7.121 63 HB3 LYS 10 HB3 LYS 10 -6.954 21.714 -8.373 64 HG2 LYS 10 HG2 LYS 10 -8.645 19.298 -8.710 65 HG3 LYS 10 HG3 LYS 10 -9.124 20.495 -7.505 66 HD2 LYS 10 HD2 LYS 10 -10.188 21.406 -9.287 67 HD3 LYS 10 HD3 LYS 10 -8.603 22.133 -9.559 68 HE2 LYS 10 HE2 LYS 10 -8.338 21.026 -11.474 69 HE3 LYS 10 HE3 LYS 10 -8.770 19.491 -10.722 70 HZ1 LYS 10 HZ1 LYS 10 -10.676 21.521 -11.758 71 HZ2 LYS 10 HZ2 LYS 10 -11.110 20.071 -11.002 72 HZ3 LYS 10 HZ3 LYS 10 -10.304 20.041 -12.489 73 H GLY 11 H GLY 11 -6.117 19.095 -11.441 74 HA2 GLY 11 HA2 GLY 11 -6.009 20.279 -13.459 75 HA3 GLY 11 HA3 GLY 11 -5.669 21.747 -12.553 76 H TYR 12 H TYR 12 -3.463 21.203 -11.141 77 HA TYR 12 HA TYR 12 -1.467 20.818 -13.245 78 HB2 TYR 12 HB2 TYR 12 -1.334 22.096 -10.515 79 HB3 TYR 12 HB3 TYR 12 0.093 21.812 -11.505 80 HD1 TYR 12 HD1 TYR 12 -3.313 23.319 -11.880 81 HD2 TYR 12 HD2 TYR 12 0.839 23.583 -12.772 82 HE1 TYR 12 HE1 TYR 12 -3.705 25.449 -13.045 83 HE2 TYR 12 HE2 TYR 12 0.459 25.714 -13.938 84 HH TYR 12 HH TYR 12 -2.800 27.106 -14.208 85 H PHE 13 H PHE 13 0.584 19.725 -12.620 86 HA PHE 13 HA PHE 13 0.308 17.686 -10.554 87 HB2 PHE 13 HB2 PHE 13 0.419 15.846 -11.925 88 HB3 PHE 13 HB3 PHE 13 -0.486 16.936 -12.971 89 HD1 PHE 13 HD2 PHE 13 1.197 18.562 -14.369 90 HD2 PHE 13 HD1 PHE 13 2.059 14.641 -12.956 91 HE1 PHE 13 HE2 PHE 13 2.916 18.316 -16.112 92 HE2 PHE 13 HE1 PHE 13 3.780 14.389 -14.697 93 HZ PHE 13 HZ PHE 13 4.209 16.227 -16.278 94 HA PRO 14 HA PRO 14 4.600 18.358 -9.941 95 HB2 PRO 14 HB2 PRO 14 5.428 15.904 -9.126 96 HB3 PRO 14 HB3 PRO 14 4.443 16.970 -8.117 97 HG2 PRO 14 HG2 PRO 14 3.599 14.641 -9.797 98 HG3 PRO 14 HG3 PRO 14 3.085 15.083 -8.158 99 HD2 PRO 14 HD2 PRO 14 1.585 15.612 -10.349 100 HD3 PRO 14 HD3 PRO 14 1.590 16.664 -8.919 101 H CYS 15 H CYS 15 6.375 18.439 -11.185 102 HA CYS 15 HA CYS 15 6.437 17.115 -13.701 103 HB2 CYS 15 HB2 CYS 15 7.415 19.294 -13.547 104 HB3 CYS 15 HB3 CYS 15 8.475 18.792 -12.234 105 H GLY 16 H GLY 16 6.446 14.892 -13.325 106 HA2 GLY 16 HA2 GLY 16 7.389 12.828 -12.983 107 HA3 GLY 16 HA3 GLY 16 8.934 13.634 -13.211 108 H ASN 17 H ASN 17 10.212 14.075 -11.469 109 HA ASN 17 HA ASN 17 9.219 13.097 -8.874 110 HB2 ASN 17 HB2 ASN 17 11.794 12.773 -10.296 111 HB3 ASN 17 HB3 ASN 17 11.908 13.063 -8.563 112 HD21 ASN 17 HD21 ASN 17 11.972 10.702 -10.702 113 HD22 ASN 17 HD22 ASN 17 11.238 9.418 -9.808 114 H LEU 18 H LEU 18 10.423 15.794 -10.582 115 HA LEU 18 HA LEU 18 11.608 17.253 -8.482 116 HB2 LEU 18 HB2 LEU 18 10.513 17.883 -11.166 117 HB3 LEU 18 HB3 LEU 18 10.737 19.224 -10.044 118 HG LEU 18 HG LEU 18 12.960 17.323 -10.747 119 HD11 LEU 18 HD11 LEU 18 11.700 19.082 -12.524 120 HD12 LEU 18 HD12 LEU 18 13.253 18.274 -12.728 121 HD13 LEU 18 HD13 LEU 18 13.186 19.886 -12.018 122 HD21 LEU 18 HD21 LEU 18 14.380 19.077 -9.923 123 HD22 LEU 18 HD22 LEU 18 13.159 18.715 -8.702 124 HD23 LEU 18 HD23 LEU 18 13.000 20.154 -9.710 125 H THR 19 H THR 19 10.561 19.542 -7.967 126 HA THR 19 HA THR 19 7.923 18.951 -6.810 127 HB THR 19 HB THR 19 9.703 19.506 -5.190 128 HG1 THR 19 HG1 THR 19 8.450 21.042 -4.075 129 HG21 THR 19 HG21 THR 19 9.678 22.347 -6.089 130 HG22 THR 19 HG22 THR 19 10.717 21.204 -6.940 131 HG23 THR 19 HG23 THR 19 10.916 21.454 -5.206 132 H LYS 20 H LYS 20 8.630 20.011 -9.566 133 HA LYS 20 HA LYS 20 7.454 22.675 -9.504 134 HB2 LYS 20 HB2 LYS 20 9.232 22.598 -11.016 135 HB3 LYS 20 HB3 LYS 20 8.784 21.005 -11.611 136 HG2 LYS 20 HG2 LYS 20 6.918 21.917 -12.814 137 HG3 LYS 20 HG3 LYS 20 7.194 23.512 -12.110 138 HD2 LYS 20 HD2 LYS 20 8.050 23.352 -14.411 139 HD3 LYS 20 HD3 LYS 20 9.337 23.668 -13.244 140 HE2 LYS 20 HE2 LYS 20 8.947 20.836 -13.592 141 HE3 LYS 20 HE3 LYS 20 9.224 21.619 -15.147 142 HZ1 LYS 20 HZ1 LYS 20 11.261 22.528 -14.354 143 HZ2 LYS 20 HZ2 LYS 20 11.275 20.874 -14.001 144 HZ3 LYS 20 HZ3 LYS 20 10.966 21.997 -12.775 145 H CYS 21 H CYS 21 5.506 23.230 -10.451 146 HA CYS 21 HA CYS 21 3.711 20.966 -11.022 147 HB2 CYS 21 HB2 CYS 21 3.428 23.309 -9.362 148 HB3 CYS 21 HB3 CYS 21 2.174 23.286 -10.598 149 H LEU 22 H LEU 22 2.853 20.783 -12.990 150 HA LEU 22 HA LEU 22 3.198 23.031 -14.858 151 HB2 LEU 22 HB2 LEU 22 3.222 20.062 -15.211 152 HB3 LEU 22 HB3 LEU 22 2.813 21.108 -16.569 153 HG LEU 22 HG LEU 22 5.320 21.746 -15.140 154 HD11 LEU 22 HD11 LEU 22 4.800 19.078 -15.905 155 HD12 LEU 22 HD12 LEU 22 6.322 19.785 -15.365 156 HD13 LEU 22 HD13 LEU 22 5.925 19.755 -17.083 157 HD21 LEU 22 HD21 LEU 22 4.717 23.051 -17.044 158 HD22 LEU 22 HD22 LEU 22 4.433 21.606 -18.016 159 HD23 LEU 22 HD23 LEU 22 6.071 22.021 -17.510 160 HA PRO 23 HA PRO 23 -1.155 23.471 -15.263 161 HB2 PRO 23 HB2 PRO 23 -1.312 24.394 -17.811 162 HB3 PRO 23 HB3 PRO 23 -0.714 25.376 -16.469 163 HG2 PRO 23 HG2 PRO 23 0.827 23.865 -18.543 164 HG3 PRO 23 HG3 PRO 23 1.114 25.493 -17.902 165 HD2 PRO 23 HD2 PRO 23 2.520 23.332 -17.073 166 HD3 PRO 23 HD3 PRO 23 2.149 24.699 -16.002 167 H ARG 24 H ARG 24 -3.014 22.821 -16.652 168 HA ARG 24 HA ARG 24 -2.787 20.055 -17.350 169 HB2 ARG 24 HB2 ARG 24 -5.170 20.159 -17.783 170 HB3 ARG 24 HB3 ARG 24 -4.806 21.002 -16.284 171 HG2 ARG 24 HG2 ARG 24 -6.040 22.661 -17.102 172 HG3 ARG 24 HG3 ARG 24 -4.666 23.006 -18.154 173 HD2 ARG 24 HD2 ARG 24 -6.459 22.862 -19.631 174 HD3 ARG 24 HD3 ARG 24 -5.710 21.269 -19.736 175 HE ARG 24 HE ARG 24 -7.669 21.113 -17.780 176 HH11 ARG 24 HH11 ARG 24 -7.474 21.738 -21.200 177 HH12 ARG 24 HH12 ARG 24 -9.046 21.095 -21.539 178 HH21 ARG 24 HH21 ARG 24 -9.741 20.264 -18.215 179 HH22 ARG 24 HH22 ARG 24 -10.336 20.258 -19.841 180 H ALA 25 H ALA 25 -2.695 23.053 -19.077 181 HA ALA 25 HA ALA 25 -3.390 22.096 -21.647 182 HB1 ALA 25 HB1 ALA 25 -3.461 24.334 -21.777 183 HB2 ALA 25 HB2 ALA 25 -2.246 24.546 -20.516 184 HB3 ALA 25 HB3 ALA 25 -1.747 24.198 -22.171 185 H PHE 26 H PHE 26 -0.659 21.572 -19.718 186 HA PHE 26 HA PHE 26 1.462 21.481 -21.479 187 HB2 PHE 26 HB2 PHE 26 2.579 20.205 -19.896 188 HB3 PHE 26 HB3 PHE 26 1.324 20.961 -18.919 189 HD1 PHE 26 HD1 PHE 26 -0.944 19.550 -18.853 190 HD2 PHE 26 HD2 PHE 26 2.936 17.965 -19.596 191 HE1 PHE 26 HE1 PHE 26 -1.714 17.331 -18.121 192 HE2 PHE 26 HE2 PHE 26 2.172 15.743 -18.866 193 HZ PHE 26 HZ PHE 26 -0.156 15.424 -18.128 194 H HIS 27 H HIS 27 -1.264 19.347 -21.227 195 HA HIS 27 HA HIS 27 -0.300 17.064 -22.486 196 HB2 HIS 27 HB2 HIS 27 -2.458 16.967 -21.499 197 HB3 HIS 27 HB3 HIS 27 -3.040 18.324 -22.458 198 HD1 HIS 27 HD1 HIS 27 -2.731 14.663 -22.468 199 HD2 HIS 27 HD2 HIS 27 -3.525 17.670 -25.223 200 HE1 HIS 27 HE1 HIS 27 -3.700 13.498 -24.475 201 H CYS 28 H CYS 28 0.863 17.114 -24.307 202 HA CYS 28 HA CYS 28 1.519 17.559 -26.443 203 HB2 CYS 28 HB2 CYS 28 -1.475 17.410 -26.662 204 HB3 CYS 28 HB3 CYS 28 -0.488 17.747 -28.081 205 H ASP 29 H ASP 29 2.482 19.575 -25.948 206 HA ASP 29 HA ASP 29 0.888 21.929 -26.715 207 HB2 ASP 29 HB2 ASP 29 2.416 23.274 -25.399 208 HB3 ASP 29 HB3 ASP 29 1.806 21.954 -24.405 209 H GLY 30 H GLY 30 4.013 20.322 -27.122 210 HA2 GLY 30 HA2 GLY 30 4.591 20.429 -29.641 211 HA3 GLY 30 HA3 GLY 30 4.638 22.159 -29.333 212 H LYS 31 H LYS 31 5.777 21.830 -26.657 213 HA LYS 31 HA LYS 31 8.440 20.768 -27.298 214 HB2 LYS 31 HB2 LYS 31 8.030 23.398 -25.878 215 HB3 LYS 31 HB3 LYS 31 9.543 22.713 -26.457 216 HG2 LYS 31 HG2 LYS 31 8.163 22.843 -28.767 217 HG3 LYS 31 HG3 LYS 31 7.467 24.214 -27.899 218 HD2 LYS 31 HD2 LYS 31 9.273 25.183 -28.975 219 HD3 LYS 31 HD3 LYS 31 9.946 24.810 -27.386 220 HE2 LYS 31 HE2 LYS 31 11.573 24.073 -28.897 221 HE3 LYS 31 HE3 LYS 31 10.715 22.607 -28.429 222 HZ1 LYS 31 HZ1 LYS 31 11.211 23.173 -30.932 223 HZ2 LYS 31 HZ2 LYS 31 9.770 24.047 -30.792 224 HZ3 LYS 31 HZ3 LYS 31 9.785 22.385 -30.475 225 H ASP 32 H ASP 32 9.838 20.924 -25.172 226 HA ASP 32 HA ASP 32 8.380 19.408 -23.186 227 HB2 ASP 32 HB2 ASP 32 10.513 18.913 -22.222 228 HB3 ASP 32 HB3 ASP 32 10.697 18.811 -23.971 229 H ASP 33 H ASP 33 7.828 20.049 -21.170 230 HA ASP 33 HA ASP 33 8.488 22.822 -20.417 231 HB2 ASP 33 HB2 ASP 33 5.961 21.323 -19.703 232 HB3 ASP 33 HB3 ASP 33 6.318 23.015 -19.367 233 H CYS 34 H CYS 34 8.122 19.507 -19.382 234 HA CYS 34 HA CYS 34 8.367 19.868 -16.611 235 HB2 CYS 34 HB2 CYS 34 7.783 17.740 -17.987 236 HB3 CYS 34 HB3 CYS 34 9.525 17.485 -18.026 237 H GLY 35 H GLY 35 10.881 19.003 -18.994 238 HA2 GLY 35 HA2 GLY 35 12.986 20.277 -18.897 239 HA3 GLY 35 HA3 GLY 35 12.861 20.188 -17.146 240 H ASN 36 H ASN 36 11.915 17.349 -17.365 241 HA ASN 36 HA ASN 36 14.545 16.135 -17.912 242 HB2 ASN 36 HB2 ASN 36 14.043 14.496 -16.164 243 HB3 ASN 36 HB3 ASN 36 13.963 16.133 -15.519 244 HD21 ASN 36 HD21 ASN 36 12.297 16.538 -14.274 245 HD22 ASN 36 HD22 ASN 36 10.769 15.733 -14.318 246 H GLY 37 H GLY 37 11.111 15.966 -18.409 247 HA2 GLY 37 HA2 GLY 37 10.379 14.930 -20.499 248 HA3 GLY 37 HA3 GLY 37 11.546 13.653 -20.193 249 H ALA 38 H ALA 38 9.133 15.158 -18.061 250 HA ALA 38 HA ALA 38 7.995 12.473 -17.634 251 HB1 ALA 38 HB1 ALA 38 7.528 14.591 -15.620 252 HB2 ALA 38 HB2 ALA 38 7.806 12.862 -15.408 253 HB3 ALA 38 HB3 ALA 38 9.163 13.940 -15.735 254 H ASP 39 H ASP 39 7.291 15.874 -18.161 255 HA ASP 39 HA ASP 39 4.427 15.453 -18.095 256 HB2 ASP 39 HB2 ASP 39 4.221 17.734 -18.106 257 HB3 ASP 39 HB3 ASP 39 5.866 17.611 -17.489 258 H GLU 40 H GLU 40 6.954 15.328 -20.402 259 HA GLU 40 HA GLU 40 5.432 15.952 -22.726 260 HB2 GLU 40 HB2 GLU 40 8.042 14.500 -22.312 261 HB3 GLU 40 HB3 GLU 40 7.341 14.743 -23.905 262 HG2 GLU 40 HG2 GLU 40 7.614 17.142 -22.209 263 HG3 GLU 40 HG3 GLU 40 9.107 16.415 -22.800 264 H GLU 41 H GLU 41 5.836 13.114 -20.787 265 HA GLU 41 HA GLU 41 5.069 11.178 -22.704 266 HB2 GLU 41 HB2 GLU 41 4.731 11.065 -19.702 267 HB3 GLU 41 HB3 GLU 41 4.720 9.696 -20.805 268 HG2 GLU 41 HG2 GLU 41 7.094 11.508 -20.558 269 HG3 GLU 41 HG3 GLU 41 6.848 10.135 -19.481 270 H ASN 42 H ASN 42 3.013 9.751 -21.985 271 HA ASN 42 HA ASN 42 0.747 9.558 -22.040 272 HB2 ASN 42 HB2 ASN 42 1.237 11.249 -19.961 273 HB3 ASN 42 HB3 ASN 42 0.184 12.245 -20.961 274 HD21 ASN 42 HD21 ASN 42 0.426 8.945 -19.689 275 HD22 ASN 42 HD22 ASN 42 -1.260 8.769 -19.351 276 H CYS 43 H CYS 43 2.342 11.089 -24.123 277 HA CYS 43 HA CYS 43 0.049 11.914 -25.682 278 HB2 CYS 43 HB2 CYS 43 1.611 13.859 -24.316 279 HB3 CYS 43 HB3 CYS 43 1.977 13.995 -26.033 280 H GLY 44 H GLY 44 2.245 9.888 -25.688 281 HA2 GLY 44 HA2 GLY 44 3.788 10.625 -28.054 282 HA3 GLY 44 HA3 GLY 44 4.002 9.177 -27.082 Start of MODEL 18 1 H1 GLY 1 H GLY 1 8.602 5.784 2.784 2 HA2 GLY 1 HA2 GLY 1 7.709 6.610 0.833 3 HA3 GLY 1 HA3 GLY 1 9.280 6.222 0.146 4 H SER 2 H SER 2 6.350 6.002 -0.759 5 HA SER 2 HA SER 2 6.719 3.540 -2.210 6 HB2 SER 2 HB2 SER 2 4.370 3.815 -0.318 7 HB3 SER 2 HB3 SER 2 4.594 2.516 -1.490 8 HG SER 2 HG SER 2 6.749 2.340 -0.260 9 H MET 3 H MET 3 4.122 5.806 -1.279 10 HA MET 3 HA MET 3 3.877 6.671 -4.038 11 HB2 MET 3 HB2 MET 3 2.037 4.786 -2.814 12 HB3 MET 3 HB3 MET 3 1.214 6.250 -3.336 13 HG2 MET 3 HG2 MET 3 2.922 5.551 -5.437 14 HG3 MET 3 HG3 MET 3 2.184 4.046 -4.892 15 HE1 MET 3 HE1 MET 3 2.260 5.623 -7.466 16 HE2 MET 3 HE2 MET 3 0.665 5.338 -8.162 17 HE3 MET 3 HE3 MET 3 1.119 6.958 -7.629 18 H ILE 4 H ILE 4 3.065 8.720 -4.239 19 HA ILE 4 HA ILE 4 1.791 10.005 -1.964 20 HB ILE 4 HB ILE 4 4.147 10.382 -1.489 21 HG12 ILE 4 HG12 ILE 4 3.267 13.017 -2.587 22 HG13 ILE 4 HG13 ILE 4 2.256 12.236 -1.376 23 HG21 ILE 4 HG21 ILE 4 4.321 10.666 -4.320 24 HG22 ILE 4 HG22 ILE 4 4.932 12.135 -3.559 25 HG23 ILE 4 HG23 ILE 4 5.623 10.569 -3.134 26 HD11 ILE 4 HD11 ILE 4 4.861 12.089 -0.383 27 HD12 ILE 4 HD12 ILE 4 4.685 13.716 -1.043 28 HD13 ILE 4 HD13 ILE 4 3.551 13.130 0.174 29 H THR 5 H THR 5 0.465 11.672 -2.532 30 HA THR 5 HA THR 5 0.115 12.109 -5.405 31 HB THR 5 HB THR 5 -1.955 13.451 -4.220 32 HG1 THR 5 HG1 THR 5 -2.580 12.392 -2.421 33 HG21 THR 5 HG21 THR 5 -2.887 12.091 -5.726 34 HG22 THR 5 HG22 THR 5 -2.884 10.835 -4.488 35 HG23 THR 5 HG23 THR 5 -1.540 10.958 -5.624 36 HA PRO 6 HA PRO 6 1.564 16.251 -5.414 37 HB2 PRO 6 HB2 PRO 6 -0.199 17.475 -7.076 38 HB3 PRO 6 HB3 PRO 6 1.023 16.332 -7.645 39 HG2 PRO 6 HG2 PRO 6 -1.884 15.877 -7.091 40 HG3 PRO 6 HG3 PRO 6 -0.901 15.303 -8.451 41 HD2 PRO 6 HD2 PRO 6 -1.529 13.727 -6.340 42 HD3 PRO 6 HD3 PRO 6 -0.002 13.565 -7.231 43 H SER 7 H SER 7 1.176 18.380 -4.667 44 HA SER 7 HA SER 7 -1.268 18.663 -3.044 45 HB2 SER 7 HB2 SER 7 0.821 18.393 -1.708 46 HB3 SER 7 HB3 SER 7 1.452 19.857 -2.460 47 HG SER 7 HG SER 7 0.232 21.022 -1.200 48 H CYS 8 H CYS 8 -1.028 19.461 -5.779 49 HA CYS 8 HA CYS 8 -1.170 22.392 -5.494 50 HB2 CYS 8 HB2 CYS 8 -0.552 20.909 -8.050 51 HB3 CYS 8 HB3 CYS 8 -0.414 22.638 -7.751 52 H GLN 9 H GLN 9 -3.014 23.379 -6.078 53 HA GLN 9 HA GLN 9 -5.355 21.861 -6.522 54 HB2 GLN 9 HB2 GLN 9 -4.827 24.821 -6.806 55 HB3 GLN 9 HB3 GLN 9 -6.424 24.094 -6.923 56 HG2 GLN 9 HG2 GLN 9 -4.653 23.830 -4.508 57 HG3 GLN 9 HG3 GLN 9 -5.858 25.102 -4.705 58 HE21 GLN 9 HE22 GLN 9 -5.292 21.784 -4.005 59 HE22 GLN 9 HE21 GLN 9 -6.922 21.360 -3.621 60 H LYS 10 H LYS 10 -6.890 22.742 -8.401 61 HA LYS 10 HA LYS 10 -7.398 22.630 -10.615 62 HB2 LYS 10 HB2 LYS 10 -4.798 24.047 -10.547 63 HB3 LYS 10 HB3 LYS 10 -5.277 23.385 -12.104 64 HG2 LYS 10 HG2 LYS 10 -7.513 24.723 -10.952 65 HG3 LYS 10 HG3 LYS 10 -6.109 25.791 -10.893 66 HD2 LYS 10 HD2 LYS 10 -7.334 26.094 -12.976 67 HD3 LYS 10 HD3 LYS 10 -5.733 25.418 -13.288 68 HE2 LYS 10 HE2 LYS 10 -6.565 23.399 -13.947 69 HE3 LYS 10 HE3 LYS 10 -7.981 23.518 -12.904 70 HZ1 LYS 10 HZ1 LYS 10 -9.051 24.933 -14.419 71 HZ2 LYS 10 HZ2 LYS 10 -8.387 23.701 -15.368 72 HZ3 LYS 10 HZ3 LYS 10 -7.637 25.215 -15.305 73 H GLY 11 H GLY 11 -6.311 21.791 -12.853 74 HA2 GLY 11 HA2 GLY 11 -5.730 19.014 -12.310 75 HA3 GLY 11 HA3 GLY 11 -5.964 19.744 -13.892 76 H TYR 12 H TYR 12 -3.636 20.266 -11.242 77 HA TYR 12 HA TYR 12 -1.488 20.317 -13.223 78 HB2 TYR 12 HB2 TYR 12 -1.664 21.185 -10.343 79 HB3 TYR 12 HB3 TYR 12 -0.123 21.066 -11.185 80 HD1 TYR 12 HD2 TYR 12 -3.514 22.466 -11.938 81 HD2 TYR 12 HD1 TYR 12 0.697 23.079 -11.933 82 HE1 TYR 12 HE2 TYR 12 -3.847 24.724 -12.855 83 HE2 TYR 12 HE1 TYR 12 0.375 25.339 -12.847 84 HH TYR 12 HH TYR 12 -2.838 26.517 -13.746 85 H PHE 13 H PHE 13 0.521 19.177 -12.790 86 HA PHE 13 HA PHE 13 0.278 16.842 -11.041 87 HB2 PHE 13 HB2 PHE 13 0.554 15.267 -12.681 88 HB3 PHE 13 HB3 PHE 13 -0.309 16.485 -13.615 89 HD1 PHE 13 HD1 PHE 13 1.346 18.336 -14.656 90 HD2 PHE 13 HD2 PHE 13 2.386 14.327 -13.673 91 HE1 PHE 13 HE1 PHE 13 3.209 18.429 -16.261 92 HE2 PHE 13 HE2 PHE 13 4.251 14.414 -15.275 93 HZ PHE 13 HZ PHE 13 4.665 16.467 -16.571 94 HA PRO 14 HA PRO 14 4.480 17.602 -10.037 95 HB2 PRO 14 HB2 PRO 14 5.418 15.088 -9.624 96 HB3 PRO 14 HB3 PRO 14 4.311 15.896 -8.507 97 HG2 PRO 14 HG2 PRO 14 3.715 13.873 -10.632 98 HG3 PRO 14 HG3 PRO 14 3.082 13.979 -8.979 99 HD2 PRO 14 HD2 PRO 14 1.676 14.821 -11.134 100 HD3 PRO 14 HD3 PRO 14 1.534 15.591 -9.541 101 H CYS 15 H CYS 15 6.426 17.866 -11.015 102 HA CYS 15 HA CYS 15 6.683 17.053 -13.757 103 HB2 CYS 15 HB2 CYS 15 7.603 19.186 -12.321 104 HB3 CYS 15 HB3 CYS 15 9.054 18.194 -12.435 105 H GLY 16 H GLY 16 6.522 14.709 -12.693 106 HA2 GLY 16 HA2 GLY 16 7.607 12.672 -12.721 107 HA3 GLY 16 HA3 GLY 16 9.083 13.518 -13.162 108 H ASN 17 H ASN 17 10.623 13.821 -11.655 109 HA ASN 17 HA ASN 17 10.068 12.775 -8.976 110 HB2 ASN 17 HB2 ASN 17 12.493 12.971 -10.688 111 HB3 ASN 17 HB3 ASN 17 12.727 13.072 -8.945 112 HD21 ASN 17 HD21 ASN 17 11.571 11.081 -11.570 113 HD22 ASN 17 HD22 ASN 17 11.633 9.580 -10.715 114 H LEU 18 H LEU 18 10.873 15.678 -10.672 115 HA LEU 18 HA LEU 18 11.955 17.169 -8.535 116 HB2 LEU 18 HB2 LEU 18 10.765 17.787 -11.182 117 HB3 LEU 18 HB3 LEU 18 10.889 19.103 -10.016 118 HG LEU 18 HG LEU 18 13.261 17.432 -10.809 119 HD11 LEU 18 HD11 LEU 18 13.760 19.554 -12.223 120 HD12 LEU 18 HD12 LEU 18 12.009 19.760 -12.201 121 HD13 LEU 18 HD13 LEU 18 12.716 18.292 -12.878 122 HD21 LEU 18 HD21 LEU 18 13.396 18.765 -8.736 123 HD22 LEU 18 HD22 LEU 18 13.035 20.217 -9.671 124 HD23 LEU 18 HD23 LEU 18 14.522 19.318 -9.976 125 H THR 19 H THR 19 10.707 19.331 -7.930 126 HA THR 19 HA THR 19 8.122 18.470 -6.813 127 HB THR 19 HB THR 19 9.832 19.010 -5.126 128 HG1 THR 19 HG1 THR 19 7.553 19.495 -4.780 129 HG21 THR 19 HG21 THR 19 11.104 20.862 -5.156 130 HG22 THR 19 HG22 THR 19 9.743 21.900 -5.580 131 HG23 THR 19 HG23 THR 19 10.597 21.008 -6.839 132 H LYS 20 H LYS 20 8.734 19.739 -9.482 133 HA LYS 20 HA LYS 20 7.401 22.322 -9.238 134 HB2 LYS 20 HB2 LYS 20 9.281 22.329 -10.708 135 HB3 LYS 20 HB3 LYS 20 8.711 20.893 -11.549 136 HG2 LYS 20 HG2 LYS 20 7.139 22.054 -12.754 137 HG3 LYS 20 HG3 LYS 20 7.020 23.346 -11.557 138 HD2 LYS 20 HD2 LYS 20 9.273 24.113 -12.198 139 HD3 LYS 20 HD3 LYS 20 9.337 22.849 -13.428 140 HE2 LYS 20 HE2 LYS 20 8.108 24.048 -14.855 141 HE3 LYS 20 HE3 LYS 20 6.922 24.451 -13.615 142 HZ1 LYS 20 HZ1 LYS 20 8.682 26.097 -12.810 143 HZ2 LYS 20 HZ2 LYS 20 7.823 26.486 -14.214 144 HZ3 LYS 20 HZ3 LYS 20 9.401 25.886 -14.327 145 H CYS 21 H CYS 21 5.359 22.743 -9.898 146 HA CYS 21 HA CYS 21 3.766 20.441 -10.801 147 HB2 CYS 21 HB2 CYS 21 3.208 22.774 -9.050 148 HB3 CYS 21 HB3 CYS 21 1.887 22.218 -10.073 149 H LEU 22 H LEU 22 3.044 20.420 -12.819 150 HA LEU 22 HA LEU 22 3.154 22.899 -14.380 151 HB2 LEU 22 HB2 LEU 22 3.273 19.996 -15.057 152 HB3 LEU 22 HB3 LEU 22 2.727 21.144 -16.278 153 HG LEU 22 HG LEU 22 5.286 21.769 -14.932 154 HD11 LEU 22 HD11 LEU 22 5.447 19.339 -15.255 155 HD12 LEU 22 HD12 LEU 22 6.554 20.227 -16.301 156 HD13 LEU 22 HD13 LEU 22 5.066 19.553 -16.964 157 HD21 LEU 22 HD21 LEU 22 4.322 21.842 -17.789 158 HD22 LEU 22 HD22 LEU 22 5.883 22.435 -17.220 159 HD23 LEU 22 HD23 LEU 22 4.393 23.206 -16.673 160 HA PRO 23 HA PRO 23 -1.210 23.275 -14.685 161 HB2 PRO 23 HB2 PRO 23 -1.472 24.300 -17.186 162 HB3 PRO 23 HB3 PRO 23 -0.840 25.236 -15.826 163 HG2 PRO 23 HG2 PRO 23 0.645 23.835 -18.015 164 HG3 PRO 23 HG3 PRO 23 0.933 25.439 -17.317 165 HD2 PRO 23 HD2 PRO 23 2.398 23.268 -16.631 166 HD3 PRO 23 HD3 PRO 23 2.048 24.584 -15.491 167 H ARG 24 H ARG 24 -3.111 22.631 -15.994 168 HA ARG 24 HA ARG 24 -2.860 19.910 -16.837 169 HB2 ARG 24 HB2 ARG 24 -5.227 19.905 -17.021 170 HB3 ARG 24 HB3 ARG 24 -4.845 20.915 -15.633 171 HG2 ARG 24 HG2 ARG 24 -6.347 22.285 -16.603 172 HG3 ARG 24 HG3 ARG 24 -4.933 22.802 -17.524 173 HD2 ARG 24 HD2 ARG 24 -5.825 22.073 -19.427 174 HD3 ARG 24 HD3 ARG 24 -6.138 20.483 -18.731 175 HE ARG 24 HE ARG 24 -8.015 22.644 -19.044 176 HH11 ARG 24 HH11 ARG 24 -7.257 19.717 -17.319 177 HH12 ARG 24 HH12 ARG 24 -8.903 19.392 -16.885 178 HH21 ARG 24 HH21 ARG 24 -10.185 22.227 -18.480 179 HH22 ARG 24 HH22 ARG 24 -10.568 20.820 -17.547 180 H ALA 25 H ALA 25 -2.786 22.962 -18.416 181 HA ALA 25 HA ALA 25 -3.644 22.150 -20.994 182 HB1 ALA 25 HB1 ALA 25 -3.699 24.403 -20.940 183 HB2 ALA 25 HB2 ALA 25 -2.339 24.519 -19.823 184 HB3 ALA 25 HB3 ALA 25 -2.048 24.248 -21.541 185 H PHE 26 H PHE 26 -0.829 21.495 -19.230 186 HA PHE 26 HA PHE 26 1.159 21.438 -21.179 187 HB2 PHE 26 HB2 PHE 26 2.434 20.246 -19.660 188 HB3 PHE 26 HB3 PHE 26 1.244 20.987 -18.595 189 HD1 PHE 26 HD1 PHE 26 -1.017 19.472 -18.458 190 HD2 PHE 26 HD2 PHE 26 2.931 18.066 -19.201 191 HE1 PHE 26 HE1 PHE 26 -1.656 17.248 -17.622 192 HE2 PHE 26 HE2 PHE 26 2.298 15.839 -18.367 193 HZ PHE 26 HZ PHE 26 0.002 15.428 -17.577 194 H HIS 27 H HIS 27 -1.580 19.408 -20.746 195 HA HIS 27 HA HIS 27 -0.744 17.025 -21.914 196 HB2 HIS 27 HB2 HIS 27 -2.882 17.094 -20.861 197 HB3 HIS 27 HB3 HIS 27 -3.431 18.398 -21.909 198 HD1 HIS 27 HD1 HIS 27 -5.201 17.469 -23.358 199 HD2 HIS 27 HD2 HIS 27 -2.035 14.818 -22.899 200 HE1 HIS 27 HE1 HIS 27 -5.752 15.503 -24.825 201 H CYS 28 H CYS 28 0.417 17.000 -23.746 202 HA CYS 28 HA CYS 28 1.042 17.338 -25.911 203 HB2 CYS 28 HB2 CYS 28 -1.938 17.101 -26.023 204 HB3 CYS 28 HB3 CYS 28 -1.059 17.509 -27.493 205 H ASP 29 H ASP 29 2.034 19.357 -25.606 206 HA ASP 29 HA ASP 29 0.437 21.660 -26.522 207 HB2 ASP 29 HB2 ASP 29 2.278 23.003 -25.299 208 HB3 ASP 29 HB3 ASP 29 1.043 22.205 -24.328 209 H GLY 30 H GLY 30 3.369 19.815 -26.879 210 HA2 GLY 30 HA2 GLY 30 4.545 19.672 -28.931 211 HA3 GLY 30 HA3 GLY 30 3.907 21.248 -29.377 212 H LYS 31 H LYS 31 5.473 20.408 -26.330 213 HA LYS 31 HA LYS 31 8.057 21.279 -26.933 214 HB2 LYS 31 HB2 LYS 31 7.958 23.500 -25.691 215 HB3 LYS 31 HB3 LYS 31 7.279 23.475 -27.313 216 HG2 LYS 31 HG2 LYS 31 5.047 23.393 -26.442 217 HG3 LYS 31 HG3 LYS 31 5.652 23.211 -24.794 218 HD2 LYS 31 HD2 LYS 31 6.541 25.578 -26.360 219 HD3 LYS 31 HD3 LYS 31 4.885 25.560 -25.751 220 HE2 LYS 31 HE2 LYS 31 6.840 24.720 -23.762 221 HE3 LYS 31 HE3 LYS 31 7.124 26.356 -24.355 222 HZ1 LYS 31 HZ1 LYS 31 5.086 27.079 -23.589 223 HZ2 LYS 31 HZ2 LYS 31 5.555 26.007 -22.368 224 HZ3 LYS 31 HZ3 LYS 31 4.421 25.525 -23.527 225 H ASP 32 H ASP 32 9.443 21.077 -25.185 226 HA ASP 32 HA ASP 32 8.445 19.563 -22.978 227 HB2 ASP 32 HB2 ASP 32 11.192 20.763 -23.014 228 HB3 ASP 32 HB3 ASP 32 10.669 19.195 -22.403 229 H ASP 33 H ASP 33 7.755 20.255 -21.065 230 HA ASP 33 HA ASP 33 8.210 23.077 -20.364 231 HB2 ASP 33 HB2 ASP 33 6.063 21.289 -19.224 232 HB3 ASP 33 HB3 ASP 33 6.160 23.046 -19.155 233 H CYS 34 H CYS 34 8.838 19.845 -19.440 234 HA CYS 34 HA CYS 34 9.442 20.529 -16.676 235 HB2 CYS 34 HB2 CYS 34 8.389 18.305 -17.557 236 HB3 CYS 34 HB3 CYS 34 10.055 17.871 -17.926 237 H GLY 35 H GLY 35 11.261 18.790 -19.211 238 HA2 GLY 35 HA2 GLY 35 13.395 19.869 -19.934 239 HA3 GLY 35 HA3 GLY 35 13.690 20.157 -18.226 240 H ASN 36 H ASN 36 12.566 17.496 -17.520 241 HA ASN 36 HA ASN 36 15.003 15.976 -18.050 242 HB2 ASN 36 HB2 ASN 36 13.995 14.423 -16.284 243 HB3 ASN 36 HB3 ASN 36 14.489 16.025 -15.744 244 HD21 ASN 36 HD21 ASN 36 13.126 16.257 -14.059 245 HD22 ASN 36 HD22 ASN 36 11.405 16.312 -14.204 246 H GLY 37 H GLY 37 11.666 16.064 -18.908 247 HA2 GLY 37 HA2 GLY 37 10.922 14.902 -20.875 248 HA3 GLY 37 HA3 GLY 37 12.056 13.614 -20.494 249 H ALA 38 H ALA 38 9.800 15.173 -18.269 250 HA ALA 38 HA ALA 38 8.532 12.550 -17.862 251 HB1 ALA 38 HB1 ALA 38 9.719 14.019 -15.989 252 HB2 ALA 38 HB2 ALA 38 8.111 14.741 -15.912 253 HB3 ALA 38 HB3 ALA 38 8.313 13.010 -15.648 254 H ASP 39 H ASP 39 7.873 15.980 -18.358 255 HA ASP 39 HA ASP 39 5.015 15.617 -18.340 256 HB2 ASP 39 HB2 ASP 39 4.861 17.953 -18.724 257 HB3 ASP 39 HB3 ASP 39 6.240 17.737 -17.649 258 H GLU 40 H GLU 40 7.562 15.554 -20.682 259 HA GLU 40 HA GLU 40 6.047 16.082 -23.004 260 HB2 GLU 40 HB2 GLU 40 8.662 14.721 -22.470 261 HB3 GLU 40 HB3 GLU 40 7.953 14.646 -24.076 262 HG2 GLU 40 HG2 GLU 40 8.719 17.128 -22.560 263 HG3 GLU 40 HG3 GLU 40 9.532 16.452 -23.970 264 H GLU 41 H GLU 41 6.454 13.242 -21.042 265 HA GLU 41 HA GLU 41 5.495 11.368 -22.969 266 HB2 GLU 41 HB2 GLU 41 5.430 11.035 -19.973 267 HB3 GLU 41 HB3 GLU 41 5.497 9.774 -21.196 268 HG2 GLU 41 HG2 GLU 41 7.684 11.757 -20.607 269 HG3 GLU 41 HG3 GLU 41 7.640 10.080 -20.065 270 H ASN 42 H ASN 42 3.564 9.902 -21.771 271 HA ASN 42 HA ASN 42 1.315 9.724 -21.484 272 HB2 ASN 42 HB2 ASN 42 2.100 12.014 -19.914 273 HB3 ASN 42 HB3 ASN 42 0.486 12.256 -20.576 274 HD21 ASN 42 HD21 ASN 42 2.417 9.709 -19.035 275 HD22 ASN 42 HD22 ASN 42 1.147 9.125 -18.020 276 H CYS 43 H CYS 43 2.592 11.045 -23.906 277 HA CYS 43 HA CYS 43 0.095 11.731 -25.197 278 HB2 CYS 43 HB2 CYS 43 1.943 13.773 -24.328 279 HB3 CYS 43 HB3 CYS 43 1.811 13.775 -26.083 280 H GLY 44 H GLY 44 2.380 9.751 -25.293 281 HA2 GLY 44 HA2 GLY 44 2.857 9.993 -28.194 282 HA3 GLY 44 HA3 GLY 44 4.169 9.567 -27.105 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -0.767 1.475 -3.970 2 HA2 GLY 1 HA2 GLY 1 0.057 3.558 -5.591 3 HA3 GLY 1 HA3 GLY 1 -1.600 3.214 -6.065 4 H SER 2 H SER 2 -1.587 5.583 -5.270 5 HA SER 2 HA SER 2 -2.267 7.134 -3.749 6 HB2 SER 2 HB2 SER 2 -3.466 4.850 -2.185 7 HB3 SER 2 HB3 SER 2 -4.044 6.512 -2.308 8 HG SER 2 HG SER 2 -4.484 6.076 -4.535 9 H MET 3 H MET 3 0.303 6.598 -3.371 10 HA MET 3 HA MET 3 0.831 5.800 -0.642 11 HB2 MET 3 HB2 MET 3 2.311 5.711 -2.937 12 HB3 MET 3 HB3 MET 3 2.986 7.127 -2.143 13 HG2 MET 3 HG2 MET 3 3.287 5.707 -0.096 14 HG3 MET 3 HG3 MET 3 2.848 4.318 -1.088 15 HE1 MET 3 HE1 MET 3 6.709 6.783 -1.303 16 HE2 MET 3 HE2 MET 3 5.102 7.485 -1.120 17 HE3 MET 3 HE3 MET 3 5.777 6.481 0.164 18 H ILE 4 H ILE 4 0.824 8.779 -2.541 19 HA ILE 4 HA ILE 4 0.738 10.297 -0.035 20 HB ILE 4 HB ILE 4 2.292 11.962 -0.839 21 HG12 ILE 4 HG12 ILE 4 3.649 11.017 -2.983 22 HG13 ILE 4 HG13 ILE 4 2.034 10.422 -3.355 23 HG21 ILE 4 HG21 ILE 4 3.772 9.425 -1.342 24 HG22 ILE 4 HG22 ILE 4 4.227 10.821 -0.367 25 HG23 ILE 4 HG23 ILE 4 3.020 9.684 0.232 26 HD11 ILE 4 HD11 ILE 4 1.146 12.578 -3.467 27 HD12 ILE 4 HD12 ILE 4 2.532 13.287 -2.636 28 HD13 ILE 4 HD13 ILE 4 2.703 12.689 -4.287 29 H THR 5 H THR 5 -0.341 12.290 -0.161 30 HA THR 5 HA THR 5 -2.309 12.420 -2.282 31 HB THR 5 HB THR 5 -2.808 14.620 -0.749 32 HG1 THR 5 HG1 THR 5 -2.497 13.796 1.449 33 HG21 THR 5 HG21 THR 5 -4.022 12.464 0.602 34 HG22 THR 5 HG22 THR 5 -3.865 11.977 -1.086 35 HG23 THR 5 HG23 THR 5 -4.712 13.468 -0.673 36 HA PRO 6 HA PRO 6 -0.550 15.642 -4.688 37 HB2 PRO 6 HB2 PRO 6 -2.726 17.129 -5.338 38 HB3 PRO 6 HB3 PRO 6 -2.416 15.530 -6.024 39 HG2 PRO 6 HG2 PRO 6 -4.233 16.306 -3.775 40 HG3 PRO 6 HG3 PRO 6 -4.525 15.177 -5.110 41 HD2 PRO 6 HD2 PRO 6 -3.846 14.348 -2.624 42 HD3 PRO 6 HD3 PRO 6 -3.360 13.471 -4.089 43 H SER 7 H SER 7 0.457 17.542 -4.356 44 HA SER 7 HA SER 7 -0.474 19.200 -2.107 45 HB2 SER 7 HB2 SER 7 1.832 18.039 -2.022 46 HB3 SER 7 HB3 SER 7 2.328 19.244 -3.210 47 HG SER 7 HG SER 7 2.736 20.312 -1.413 48 H CYS 8 H CYS 8 -1.412 19.379 -4.866 49 HA CYS 8 HA CYS 8 -0.820 22.207 -5.285 50 HB2 CYS 8 HB2 CYS 8 -0.400 20.031 -7.321 51 HB3 CYS 8 HB3 CYS 8 -0.736 21.689 -7.811 52 H GLN 9 H GLN 9 -2.449 23.346 -6.405 53 HA GLN 9 HA GLN 9 -5.046 21.993 -6.339 54 HB2 GLN 9 HB2 GLN 9 -4.250 24.899 -6.306 55 HB3 GLN 9 HB3 GLN 9 -5.914 24.383 -6.546 56 HG2 GLN 9 HG2 GLN 9 -5.925 23.297 -4.386 57 HG3 GLN 9 HG3 GLN 9 -4.227 23.709 -4.147 58 HE21 GLN 9 HE22 GLN 9 -7.334 25.253 -4.883 59 HE22 GLN 9 HE21 GLN 9 -7.069 26.648 -3.899 60 H LYS 10 H LYS 10 -6.647 23.010 -8.017 61 HA LYS 10 HA LYS 10 -7.309 23.160 -10.188 62 HB2 LYS 10 HB2 LYS 10 -4.481 24.006 -10.819 63 HB3 LYS 10 HB3 LYS 10 -5.934 24.357 -11.745 64 HG2 LYS 10 HG2 LYS 10 -6.740 25.838 -10.056 65 HG3 LYS 10 HG3 LYS 10 -5.448 25.362 -8.951 66 HD2 LYS 10 HD2 LYS 10 -4.890 26.608 -11.630 67 HD3 LYS 10 HD3 LYS 10 -5.168 27.577 -10.181 68 HE2 LYS 10 HE2 LYS 10 -3.304 26.447 -9.071 69 HE3 LYS 10 HE3 LYS 10 -3.033 25.470 -10.514 70 HZ1 LYS 10 HZ1 LYS 10 -1.992 27.985 -9.936 71 HZ2 LYS 10 HZ2 LYS 10 -3.063 28.191 -11.228 72 HZ3 LYS 10 HZ3 LYS 10 -1.792 27.081 -11.353 73 H GLY 11 H GLY 11 -6.166 22.573 -12.590 74 HA2 GLY 11 HA2 GLY 11 -5.848 19.700 -12.365 75 HA3 GLY 11 HA3 GLY 11 -6.021 20.620 -13.852 76 H TYR 12 H TYR 12 -3.665 20.706 -11.180 77 HA TYR 12 HA TYR 12 -1.528 20.617 -13.195 78 HB2 TYR 12 HB2 TYR 12 -1.651 21.717 -10.397 79 HB3 TYR 12 HB3 TYR 12 -0.111 21.401 -11.187 80 HD1 TYR 12 HD1 TYR 12 -3.359 22.997 -12.154 81 HD2 TYR 12 HD2 TYR 12 0.886 23.276 -12.068 82 HE1 TYR 12 HE1 TYR 12 -3.487 25.188 -13.263 83 HE2 TYR 12 HE2 TYR 12 0.770 25.469 -13.175 84 HH TYR 12 HH TYR 12 -1.222 27.378 -13.274 85 H PHE 13 H PHE 13 0.419 19.396 -12.671 86 HA PHE 13 HA PHE 13 0.082 17.236 -10.736 87 HB2 PHE 13 HB2 PHE 13 0.178 15.492 -12.229 88 HB3 PHE 13 HB3 PHE 13 -0.699 16.667 -13.204 89 HD1 PHE 13 HD1 PHE 13 1.005 18.347 -14.490 90 HD2 PHE 13 HD2 PHE 13 1.825 14.340 -13.313 91 HE1 PHE 13 HE1 PHE 13 2.734 18.193 -16.234 92 HE2 PHE 13 HE2 PHE 13 3.556 14.179 -15.053 93 HZ PHE 13 HZ PHE 13 4.014 16.107 -16.516 94 HA PRO 14 HA PRO 14 4.358 17.967 -10.019 95 HB2 PRO 14 HB2 PRO 14 5.055 15.577 -8.938 96 HB3 PRO 14 HB3 PRO 14 4.087 16.777 -8.073 97 HG2 PRO 14 HG2 PRO 14 3.195 14.325 -9.542 98 HG3 PRO 14 HG3 PRO 14 2.651 14.950 -7.974 99 HD2 PRO 14 HD2 PRO 14 1.241 15.316 -10.256 100 HD3 PRO 14 HD3 PRO 14 1.249 16.505 -8.938 101 H CYS 15 H CYS 15 6.304 17.697 -11.017 102 HA CYS 15 HA CYS 15 6.445 16.538 -13.541 103 HB2 CYS 15 HB2 CYS 15 8.032 18.225 -12.176 104 HB3 CYS 15 HB3 CYS 15 8.975 16.749 -12.001 105 H GLY 16 H GLY 16 8.247 14.879 -14.112 106 HA2 GLY 16 HA2 GLY 16 7.448 12.359 -13.326 107 HA3 GLY 16 HA3 GLY 16 9.023 12.717 -14.019 108 H ASN 17 H ASN 17 10.499 13.894 -12.289 109 HA ASN 17 HA ASN 17 10.333 12.288 -9.823 110 HB2 ASN 17 HB2 ASN 17 12.686 13.047 -11.532 111 HB3 ASN 17 HB3 ASN 17 12.904 12.649 -9.831 112 HD21 ASN 17 HD21 ASN 17 11.538 10.579 -9.250 113 HD22 ASN 17 HD22 ASN 17 11.824 9.237 -10.300 114 H LEU 18 H LEU 18 10.859 15.420 -11.229 115 HA LEU 18 HA LEU 18 11.856 16.715 -8.906 116 HB2 LEU 18 HB2 LEU 18 10.759 17.563 -11.529 117 HB3 LEU 18 HB3 LEU 18 10.782 18.755 -10.231 118 HG LEU 18 HG LEU 18 13.200 17.280 -11.273 119 HD11 LEU 18 HD11 LEU 18 11.792 19.552 -12.301 120 HD12 LEU 18 HD12 LEU 18 13.234 18.754 -12.927 121 HD13 LEU 18 HD13 LEU 18 13.388 20.043 -11.734 122 HD21 LEU 18 HD21 LEU 18 14.392 18.201 -9.623 123 HD22 LEU 18 HD22 LEU 18 12.842 18.450 -8.818 124 HD23 LEU 18 HD23 LEU 18 13.563 19.752 -9.767 125 H THR 19 H THR 19 10.503 18.761 -8.144 126 HA THR 19 HA THR 19 7.889 17.717 -7.273 127 HB THR 19 HB THR 19 9.496 18.049 -5.436 128 HG1 THR 19 HG1 THR 19 7.198 18.446 -5.146 129 HG21 THR 19 HG21 THR 19 10.149 20.395 -6.845 130 HG22 THR 19 HG22 THR 19 10.826 19.833 -5.317 131 HG23 THR 19 HG23 THR 19 9.435 20.917 -5.319 132 H LYS 20 H LYS 20 8.679 19.375 -9.697 133 HA LYS 20 HA LYS 20 7.315 21.893 -9.207 134 HB2 LYS 20 HB2 LYS 20 9.273 21.950 -10.628 135 HB3 LYS 20 HB3 LYS 20 8.584 20.729 -11.691 136 HG2 LYS 20 HG2 LYS 20 6.829 22.279 -12.357 137 HG3 LYS 20 HG3 LYS 20 7.487 23.503 -11.268 138 HD2 LYS 20 HD2 LYS 20 9.568 23.530 -12.541 139 HD3 LYS 20 HD3 LYS 20 8.939 22.278 -13.615 140 HE2 LYS 20 HE2 LYS 20 8.038 23.856 -14.891 141 HE3 LYS 20 HE3 LYS 20 7.022 24.350 -13.538 142 HZ1 LYS 20 HZ1 LYS 20 8.465 26.124 -14.548 143 HZ2 LYS 20 HZ2 LYS 20 9.798 25.323 -13.882 144 HZ3 LYS 20 HZ3 LYS 20 8.594 25.946 -12.870 145 H CYS 21 H CYS 21 5.269 22.364 -9.761 146 HA CYS 21 HA CYS 21 3.649 20.201 -10.886 147 HB2 CYS 21 HB2 CYS 21 3.109 22.548 -9.138 148 HB3 CYS 21 HB3 CYS 21 1.808 22.014 -10.197 149 H LEU 22 H LEU 22 2.973 20.250 -12.921 150 HA LEU 22 HA LEU 22 3.297 22.726 -14.452 151 HB2 LEU 22 HB2 LEU 22 3.150 19.828 -15.172 152 HB3 LEU 22 HB3 LEU 22 2.796 21.057 -16.385 153 HG LEU 22 HG LEU 22 5.304 21.569 -15.012 154 HD11 LEU 22 HD11 LEU 22 6.117 19.503 -14.906 155 HD12 LEU 22 HD12 LEU 22 6.104 19.497 -16.669 156 HD13 LEU 22 HD13 LEU 22 4.735 18.835 -15.775 157 HD21 LEU 22 HD21 LEU 22 4.647 21.057 -17.911 158 HD22 LEU 22 HD22 LEU 22 6.104 21.823 -17.278 159 HD23 LEU 22 HD23 LEU 22 4.542 22.624 -17.109 160 HA PRO 23 HA PRO 23 -1.005 23.465 -14.905 161 HB2 PRO 23 HB2 PRO 23 -1.142 24.388 -17.455 162 HB3 PRO 23 HB3 PRO 23 -0.446 25.327 -16.129 163 HG2 PRO 23 HG2 PRO 23 0.936 23.697 -18.225 164 HG3 PRO 23 HG3 PRO 23 1.357 25.301 -17.598 165 HD2 PRO 23 HD2 PRO 23 2.613 23.044 -16.786 166 HD3 PRO 23 HD3 PRO 23 2.367 24.438 -15.714 167 H ARG 24 H ARG 24 -2.922 22.995 -16.336 168 HA ARG 24 HA ARG 24 -2.959 20.203 -16.960 169 HB2 ARG 24 HB2 ARG 24 -5.310 20.526 -17.438 170 HB3 ARG 24 HB3 ARG 24 -4.891 21.387 -15.963 171 HG2 ARG 24 HG2 ARG 24 -6.112 23.006 -16.962 172 HG3 ARG 24 HG3 ARG 24 -4.549 23.378 -17.692 173 HD2 ARG 24 HD2 ARG 24 -5.339 22.948 -19.724 174 HD3 ARG 24 HD3 ARG 24 -5.886 21.350 -19.217 175 HE ARG 24 HE ARG 24 -7.725 23.213 -18.268 176 HH11 ARG 24 HH11 ARG 24 -6.560 22.002 -21.317 177 HH12 ARG 24 HH12 ARG 24 -8.053 22.287 -22.149 178 HH21 ARG 24 HH21 ARG 24 -9.696 23.593 -19.352 179 HH22 ARG 24 HH22 ARG 24 -9.836 23.193 -21.031 180 H ALA 25 H ALA 25 -2.555 23.132 -18.766 181 HA ALA 25 HA ALA 25 -3.288 22.174 -21.322 182 HB1 ALA 25 HB1 ALA 25 -2.759 24.234 -22.027 183 HB2 ALA 25 HB2 ALA 25 -2.579 24.603 -20.311 184 HB3 ALA 25 HB3 ALA 25 -1.163 24.188 -21.276 185 H PHE 26 H PHE 26 -0.660 21.434 -19.325 186 HA PHE 26 HA PHE 26 1.475 21.088 -21.038 187 HB2 PHE 26 HB2 PHE 26 2.426 19.731 -19.406 188 HB3 PHE 26 HB3 PHE 26 1.263 20.668 -18.475 189 HD1 PHE 26 HD2 PHE 26 -1.181 19.519 -18.466 190 HD2 PHE 26 HD1 PHE 26 2.534 17.498 -18.939 191 HE1 PHE 26 HE2 PHE 26 -2.216 17.437 -17.662 192 HE2 PHE 26 HE1 PHE 26 1.505 15.411 -18.137 193 HZ PHE 26 HZ PHE 26 -0.873 15.380 -17.496 194 H HIS 27 H HIS 27 -1.455 19.246 -20.793 195 HA HIS 27 HA HIS 27 -0.694 16.843 -21.973 196 HB2 HIS 27 HB2 HIS 27 -2.865 16.987 -21.012 197 HB3 HIS 27 HB3 HIS 27 -3.303 18.356 -22.030 198 HD1 HIS 27 HD1 HIS 27 -3.069 14.639 -22.026 199 HD2 HIS 27 HD2 HIS 27 -4.074 17.694 -24.657 200 HE1 HIS 27 HE1 HIS 27 -4.179 13.507 -23.978 201 H CYS 28 H CYS 28 0.631 16.921 -23.717 202 HA CYS 28 HA CYS 28 1.372 17.311 -25.837 203 HB2 CYS 28 HB2 CYS 28 -1.590 16.971 -26.139 204 HB3 CYS 28 HB3 CYS 28 -0.618 17.387 -27.547 205 H ASP 29 H ASP 29 2.251 19.372 -25.450 206 HA ASP 29 HA ASP 29 0.588 21.637 -26.331 207 HB2 ASP 29 HB2 ASP 29 1.969 23.084 -25.032 208 HB3 ASP 29 HB3 ASP 29 1.575 21.708 -24.006 209 H GLY 30 H GLY 30 3.701 20.034 -26.731 210 HA2 GLY 30 HA2 GLY 30 4.103 20.299 -29.360 211 HA3 GLY 30 HA3 GLY 30 4.522 21.910 -28.796 212 H LYS 31 H LYS 31 5.753 21.234 -26.368 213 HA LYS 31 HA LYS 31 7.868 19.342 -26.952 214 HB2 LYS 31 HB2 LYS 31 9.676 20.970 -26.681 215 HB3 LYS 31 HB3 LYS 31 8.671 21.368 -28.069 216 HG2 LYS 31 HG2 LYS 31 7.794 23.241 -27.073 217 HG3 LYS 31 HG3 LYS 31 8.083 22.639 -25.439 218 HD2 LYS 31 HD2 LYS 31 9.645 24.385 -25.793 219 HD3 LYS 31 HD3 LYS 31 10.552 22.876 -25.922 220 HE2 LYS 31 HE2 LYS 31 11.285 23.579 -27.900 221 HE3 LYS 31 HE3 LYS 31 9.639 23.400 -28.505 222 HZ1 LYS 31 HZ1 LYS 31 11.070 25.819 -27.696 223 HZ2 LYS 31 HZ2 LYS 31 9.404 25.765 -27.413 224 HZ3 LYS 31 HZ3 LYS 31 10.001 25.577 -28.984 225 H ASP 32 H ASP 32 9.671 19.901 -25.048 226 HA ASP 32 HA ASP 32 8.520 18.963 -22.698 227 HB2 ASP 32 HB2 ASP 32 10.644 19.430 -21.629 228 HB3 ASP 32 HB3 ASP 32 10.938 18.820 -23.255 229 H ASP 33 H ASP 33 7.730 19.889 -20.870 230 HA ASP 33 HA ASP 33 7.448 22.823 -20.899 231 HB2 ASP 33 HB2 ASP 33 5.566 20.721 -19.810 232 HB3 ASP 33 HB3 ASP 33 5.364 22.453 -19.566 233 H CYS 34 H CYS 34 8.417 20.034 -19.104 234 HA CYS 34 HA CYS 34 8.646 21.506 -16.604 235 HB2 CYS 34 HB2 CYS 34 7.998 18.967 -16.975 236 HB3 CYS 34 HB3 CYS 34 9.745 18.750 -16.956 237 H GLY 35 H GLY 35 10.897 19.480 -18.501 238 HA2 GLY 35 HA2 GLY 35 12.909 21.023 -19.183 239 HA3 GLY 35 HA3 GLY 35 13.122 21.060 -17.438 240 H ASN 36 H ASN 36 12.113 18.227 -17.292 241 HA ASN 36 HA ASN 36 14.640 16.951 -18.093 242 HB2 ASN 36 HB2 ASN 36 12.978 15.448 -16.220 243 HB3 ASN 36 HB3 ASN 36 14.679 15.891 -16.108 244 HD21 ASN 36 HD21 ASN 36 11.544 16.496 -15.006 245 HD22 ASN 36 HD22 ASN 36 11.889 17.882 -14.034 246 H GLY 37 H GLY 37 12.094 17.356 -19.675 247 HA2 GLY 37 HA2 GLY 37 10.822 16.172 -21.174 248 HA3 GLY 37 HA3 GLY 37 12.117 14.985 -21.128 249 H ALA 38 H ALA 38 10.238 15.845 -18.307 250 HA ALA 38 HA ALA 38 9.391 13.084 -18.040 251 HB1 ALA 38 HB1 ALA 38 8.382 14.969 -16.054 252 HB2 ALA 38 HB2 ALA 38 9.314 13.487 -15.842 253 HB3 ALA 38 HB3 ALA 38 10.137 14.998 -16.228 254 H ASP 39 H ASP 39 7.704 16.222 -17.797 255 HA ASP 39 HA ASP 39 5.113 15.236 -17.926 256 HB2 ASP 39 HB2 ASP 39 4.407 17.453 -18.328 257 HB3 ASP 39 HB3 ASP 39 5.896 17.614 -17.400 258 H GLU 40 H GLU 40 7.454 15.676 -20.444 259 HA GLU 40 HA GLU 40 5.892 15.869 -22.711 260 HB2 GLU 40 HB2 GLU 40 8.504 14.441 -22.237 261 HB3 GLU 40 HB3 GLU 40 7.771 14.552 -23.831 262 HG2 GLU 40 HG2 GLU 40 8.253 17.021 -22.221 263 HG3 GLU 40 HG3 GLU 40 9.568 16.270 -23.123 264 H GLU 41 H GLU 41 6.621 13.034 -20.761 265 HA GLU 41 HA GLU 41 5.685 11.044 -22.478 266 HB2 GLU 41 HB2 GLU 41 5.477 11.076 -19.463 267 HB3 GLU 41 HB3 GLU 41 5.443 9.655 -20.497 268 HG2 GLU 41 HG2 GLU 41 7.798 11.504 -20.465 269 HG3 GLU 41 HG3 GLU 41 7.617 10.214 -19.277 270 H ASN 42 H ASN 42 3.680 9.637 -21.638 271 HA ASN 42 HA ASN 42 1.416 9.419 -21.588 272 HB2 ASN 42 HB2 ASN 42 1.312 12.202 -20.420 273 HB3 ASN 42 HB3 ASN 42 0.139 10.903 -20.220 274 HD21 ASN 42 HD21 ASN 42 2.815 12.441 -18.921 275 HD22 ASN 42 HD22 ASN 42 3.203 11.291 -17.692 276 H CYS 43 H CYS 43 2.944 11.028 -23.732 277 HA CYS 43 HA CYS 43 0.586 11.678 -25.276 278 HB2 CYS 43 HB2 CYS 43 2.108 13.739 -23.972 279 HB3 CYS 43 HB3 CYS 43 2.281 13.898 -25.717 280 H GLY 44 H GLY 44 2.984 9.850 -25.254 281 HA2 GLY 44 HA2 GLY 44 3.864 8.766 -27.167 282 HA3 GLY 44 HA3 GLY 44 3.669 10.260 -28.072 Start of MODEL 20 1 H1 GLY 1 H GLY 1 0.958 0.035 -8.819 2 HA2 GLY 1 HA2 GLY 1 1.590 0.817 -6.672 3 HA3 GLY 1 HA3 GLY 1 2.742 1.590 -7.751 4 H SER 2 H SER 2 0.911 2.204 -5.189 5 HA SER 2 HA SER 2 1.054 5.015 -5.469 6 HB2 SER 2 HB2 SER 2 -0.860 4.830 -6.910 7 HB3 SER 2 HB3 SER 2 -1.679 3.755 -5.777 8 HG SER 2 HG SER 2 -0.920 6.383 -5.065 9 H MET 3 H MET 3 2.113 4.648 -3.472 10 HA MET 3 HA MET 3 0.409 3.806 -1.239 11 HB2 MET 3 HB2 MET 3 3.361 3.921 -1.681 12 HB3 MET 3 HB3 MET 3 2.749 4.030 -0.036 13 HG2 MET 3 HG2 MET 3 2.879 1.804 -0.071 14 HG3 MET 3 HG3 MET 3 1.363 1.898 -0.964 15 HE1 MET 3 HE1 MET 3 1.389 -0.107 -1.836 16 HE2 MET 3 HE2 MET 3 2.019 -0.428 -3.451 17 HE3 MET 3 HE3 MET 3 2.904 -0.989 -2.032 18 H ILE 4 H ILE 4 2.548 6.444 -2.257 19 HA ILE 4 HA ILE 4 1.430 8.111 -0.106 20 HB ILE 4 HB ILE 4 3.893 8.672 -1.758 21 HG12 ILE 4 HG12 ILE 4 4.245 6.652 -0.439 22 HG13 ILE 4 HG13 ILE 4 5.167 7.986 0.248 23 HG21 ILE 4 HG21 ILE 4 2.460 10.077 0.409 24 HG22 ILE 4 HG22 ILE 4 4.220 10.071 0.500 25 HG23 ILE 4 HG23 ILE 4 3.413 10.722 -0.927 26 HD11 ILE 4 HD11 ILE 4 3.290 6.301 1.516 27 HD12 ILE 4 HD12 ILE 4 4.209 7.640 2.205 28 HD13 ILE 4 HD13 ILE 4 2.621 7.933 1.496 29 H THR 5 H THR 5 0.457 10.049 -0.548 30 HA THR 5 HA THR 5 -0.485 10.406 -3.268 31 HB THR 5 HB THR 5 -1.619 12.470 -1.978 32 HG1 THR 5 HG1 THR 5 -2.092 11.705 0.180 33 HG21 THR 5 HG21 THR 5 -2.636 10.407 -3.116 34 HG22 THR 5 HG22 THR 5 -3.570 11.175 -1.832 35 HG23 THR 5 HG23 THR 5 -2.669 9.695 -1.504 36 HA PRO 6 HA PRO 6 2.122 13.729 -4.460 37 HB2 PRO 6 HB2 PRO 6 0.411 15.347 -5.810 38 HB3 PRO 6 HB3 PRO 6 0.967 13.794 -6.445 39 HG2 PRO 6 HG2 PRO 6 -1.608 14.469 -5.075 40 HG3 PRO 6 HG3 PRO 6 -1.333 13.457 -6.505 41 HD2 PRO 6 HD2 PRO 6 -1.737 12.415 -4.039 42 HD3 PRO 6 HD3 PRO 6 -0.698 11.633 -5.248 43 H SER 7 H SER 7 1.911 16.328 -4.688 44 HA SER 7 HA SER 7 0.673 17.401 -2.258 45 HB2 SER 7 HB2 SER 7 3.505 18.125 -2.999 46 HB3 SER 7 HB3 SER 7 2.656 18.438 -1.485 47 HG SER 7 HG SER 7 4.204 16.629 -1.511 48 H CYS 8 H CYS 8 -0.442 17.770 -4.667 49 HA CYS 8 HA CYS 8 0.006 20.621 -5.129 50 HB2 CYS 8 HB2 CYS 8 1.124 18.896 -6.868 51 HB3 CYS 8 HB3 CYS 8 -0.487 19.009 -7.570 52 H GLN 9 H GLN 9 -1.780 21.519 -6.579 53 HA GLN 9 HA GLN 9 -4.299 20.057 -6.241 54 HB2 GLN 9 HB2 GLN 9 -3.762 22.893 -5.354 55 HB3 GLN 9 HB3 GLN 9 -5.379 22.227 -5.544 56 HG2 GLN 9 HG2 GLN 9 -3.802 20.470 -3.930 57 HG3 GLN 9 HG3 GLN 9 -3.713 22.110 -3.291 58 HE21 GLN 9 HE22 GLN 9 -5.524 19.289 -3.454 59 HE22 GLN 9 HE21 GLN 9 -6.986 19.882 -2.751 60 H LYS 10 H LYS 10 -6.117 21.530 -7.329 61 HA LYS 10 HA LYS 10 -6.989 22.339 -9.268 62 HB2 LYS 10 HB2 LYS 10 -4.646 23.858 -8.801 63 HB3 LYS 10 HB3 LYS 10 -4.673 23.480 -10.519 64 HG2 LYS 10 HG2 LYS 10 -7.187 24.262 -10.283 65 HG3 LYS 10 HG3 LYS 10 -6.524 25.148 -8.908 66 HD2 LYS 10 HD2 LYS 10 -5.966 26.723 -10.396 67 HD3 LYS 10 HD3 LYS 10 -4.681 25.621 -10.897 68 HE2 LYS 10 HE2 LYS 10 -5.781 24.981 -12.789 69 HE3 LYS 10 HE3 LYS 10 -7.375 25.222 -12.076 70 HZ1 LYS 10 HZ1 LYS 10 -7.005 26.873 -13.747 71 HZ2 LYS 10 HZ2 LYS 10 -5.533 27.334 -13.054 72 HZ3 LYS 10 HZ3 LYS 10 -6.983 27.638 -12.238 73 H GLY 11 H GLY 11 -6.233 22.514 -11.821 74 HA2 GLY 11 HA2 GLY 11 -6.093 19.823 -12.662 75 HA3 GLY 11 HA3 GLY 11 -5.940 21.231 -13.702 76 H TYR 12 H TYR 12 -3.632 21.947 -11.696 77 HA TYR 12 HA TYR 12 -1.531 21.139 -13.390 78 HB2 TYR 12 HB2 TYR 12 -1.616 22.339 -10.632 79 HB3 TYR 12 HB3 TYR 12 -0.089 21.896 -11.387 80 HD1 TYR 12 HD2 TYR 12 -3.211 23.688 -12.419 81 HD2 TYR 12 HD1 TYR 12 1.043 23.648 -12.351 82 HE1 TYR 12 HE2 TYR 12 -3.178 25.843 -13.604 83 HE2 TYR 12 HE1 TYR 12 1.088 25.804 -13.534 84 HH TYR 12 HH TYR 12 -0.111 27.414 -14.475 85 H PHE 13 H PHE 13 0.348 19.836 -12.770 86 HA PHE 13 HA PHE 13 -0.150 17.760 -10.783 87 HB2 PHE 13 HB2 PHE 13 -0.150 15.964 -12.216 88 HB3 PHE 13 HB3 PHE 13 -0.937 17.157 -13.243 89 HD1 PHE 13 HD1 PHE 13 0.910 18.691 -14.538 90 HD2 PHE 13 HD2 PHE 13 1.410 14.663 -13.257 91 HE1 PHE 13 HE1 PHE 13 2.648 18.366 -16.249 92 HE2 PHE 13 HE2 PHE 13 3.149 14.332 -14.966 93 HZ PHE 13 HZ PHE 13 3.771 16.185 -16.464 94 HA PRO 14 HA PRO 14 4.155 18.244 -10.037 95 HB2 PRO 14 HB2 PRO 14 4.693 15.848 -8.879 96 HB3 PRO 14 HB3 PRO 14 3.792 17.130 -8.061 97 HG2 PRO 14 HG2 PRO 14 2.767 14.696 -9.470 98 HG3 PRO 14 HG3 PRO 14 2.246 15.397 -7.927 99 HD2 PRO 14 HD2 PRO 14 0.884 15.782 -10.236 100 HD3 PRO 14 HD3 PRO 14 0.952 17.006 -8.952 101 H CYS 15 H CYS 15 6.078 17.847 -11.026 102 HA CYS 15 HA CYS 15 6.160 16.566 -13.500 103 HB2 CYS 15 HB2 CYS 15 7.802 18.278 -12.257 104 HB3 CYS 15 HB3 CYS 15 8.695 16.790 -11.962 105 H GLY 16 H GLY 16 7.835 14.802 -14.025 106 HA2 GLY 16 HA2 GLY 16 6.974 12.368 -13.043 107 HA3 GLY 16 HA3 GLY 16 8.521 12.617 -13.839 108 H ASN 17 H ASN 17 10.137 13.831 -12.269 109 HA ASN 17 HA ASN 17 10.045 12.388 -9.701 110 HB2 ASN 17 HB2 ASN 17 11.821 11.741 -11.474 111 HB3 ASN 17 HB3 ASN 17 12.601 13.255 -11.025 112 HD21 ASN 17 HD21 ASN 17 13.481 10.479 -10.702 113 HD22 ASN 17 HD22 ASN 17 13.795 10.280 -9.015 114 H LEU 18 H LEU 18 10.623 15.405 -11.326 115 HA LEU 18 HA LEU 18 11.803 16.803 -9.163 116 HB2 LEU 18 HB2 LEU 18 10.526 17.532 -11.741 117 HB3 LEU 18 HB3 LEU 18 10.685 18.796 -10.523 118 HG LEU 18 HG LEU 18 13.001 17.173 -11.568 119 HD11 LEU 18 HD11 LEU 18 11.530 19.164 -12.915 120 HD12 LEU 18 HD12 LEU 18 13.066 18.438 -13.384 121 HD13 LEU 18 HD13 LEU 18 13.047 19.902 -12.400 122 HD21 LEU 18 HD21 LEU 18 14.162 19.322 -10.664 123 HD22 LEU 18 HD22 LEU 18 13.694 18.040 -9.547 124 HD23 LEU 18 HD23 LEU 18 12.693 19.485 -9.702 125 H THR 19 H THR 19 10.564 18.932 -8.429 126 HA THR 19 HA THR 19 7.991 18.025 -7.316 127 HB THR 19 HB THR 19 9.762 18.384 -5.626 128 HG1 THR 19 HG1 THR 19 8.166 18.998 -4.390 129 HG21 THR 19 HG21 THR 19 10.876 20.248 -6.932 130 HG22 THR 19 HG22 THR 19 10.702 20.520 -5.198 131 HG23 THR 19 HG23 THR 19 9.603 21.309 -6.329 132 H LYS 20 H LYS 20 8.685 19.555 -9.861 133 HA LYS 20 HA LYS 20 7.359 22.106 -9.370 134 HB2 LYS 20 HB2 LYS 20 9.280 22.247 -10.787 135 HB3 LYS 20 HB3 LYS 20 8.708 20.927 -11.799 136 HG2 LYS 20 HG2 LYS 20 6.879 22.309 -12.603 137 HG3 LYS 20 HG3 LYS 20 7.400 23.630 -11.554 138 HD2 LYS 20 HD2 LYS 20 9.684 23.289 -12.821 139 HD3 LYS 20 HD3 LYS 20 8.639 22.579 -14.054 140 HE2 LYS 20 HE2 LYS 20 8.861 24.868 -14.607 141 HE3 LYS 20 HE3 LYS 20 7.251 24.681 -13.914 142 HZ1 LYS 20 HZ1 LYS 20 8.315 25.387 -11.747 143 HZ2 LYS 20 HZ2 LYS 20 8.138 26.588 -12.924 144 HZ3 LYS 20 HZ3 LYS 20 9.650 25.876 -12.663 145 H CYS 21 H CYS 21 5.347 22.631 -10.072 146 HA CYS 21 HA CYS 21 3.739 20.433 -11.172 147 HB2 CYS 21 HB2 CYS 21 3.161 22.730 -9.371 148 HB3 CYS 21 HB3 CYS 21 1.871 22.203 -10.446 149 H LEU 22 H LEU 22 3.018 20.527 -13.193 150 HA LEU 22 HA LEU 22 3.348 23.030 -14.678 151 HB2 LEU 22 HB2 LEU 22 3.101 20.155 -15.494 152 HB3 LEU 22 HB3 LEU 22 2.880 21.460 -16.658 153 HG LEU 22 HG LEU 22 5.350 21.780 -15.189 154 HD11 LEU 22 HD11 LEU 22 6.202 19.737 -15.171 155 HD12 LEU 22 HD12 LEU 22 5.922 19.588 -16.905 156 HD13 LEU 22 HD13 LEU 22 4.671 19.092 -15.765 157 HD21 LEU 22 HD21 LEU 22 6.129 21.520 -17.688 158 HD22 LEU 22 HD22 LEU 22 5.266 22.960 -17.149 159 HD23 LEU 22 HD23 LEU 22 4.403 21.685 -18.010 160 HA PRO 23 HA PRO 23 -0.953 23.806 -15.076 161 HB2 PRO 23 HB2 PRO 23 -1.104 24.791 -17.602 162 HB3 PRO 23 HB3 PRO 23 -0.392 25.694 -16.259 163 HG2 PRO 23 HG2 PRO 23 0.963 24.106 -18.405 164 HG3 PRO 23 HG3 PRO 23 1.399 25.692 -17.742 165 HD2 PRO 23 HD2 PRO 23 2.647 23.409 -16.994 166 HD3 PRO 23 HD3 PRO 23 2.418 24.778 -15.888 167 H ARG 24 H ARG 24 -2.883 23.385 -16.510 168 HA ARG 24 HA ARG 24 -2.943 20.609 -17.197 169 HB2 ARG 24 HB2 ARG 24 -5.293 20.948 -17.633 170 HB3 ARG 24 HB3 ARG 24 -4.858 21.801 -16.158 171 HG2 ARG 24 HG2 ARG 24 -6.071 23.436 -17.129 172 HG3 ARG 24 HG3 ARG 24 -4.523 23.793 -17.898 173 HD2 ARG 24 HD2 ARG 24 -5.519 23.536 -19.868 174 HD3 ARG 24 HD3 ARG 24 -5.713 21.825 -19.488 175 HE ARG 24 HE ARG 24 -7.945 22.204 -19.262 176 HH11 ARG 24 HH11 ARG 24 -6.268 25.219 -18.801 177 HH12 ARG 24 HH12 ARG 24 -7.720 26.154 -18.655 178 HH21 ARG 24 HH21 ARG 24 -9.863 23.424 -19.072 179 HH22 ARG 24 HH22 ARG 24 -9.764 25.132 -18.809 180 H ALA 25 H ALA 25 -2.462 23.557 -18.926 181 HA ALA 25 HA ALA 25 -3.255 22.708 -21.503 182 HB1 ALA 25 HB1 ALA 25 -3.039 25.000 -21.328 183 HB2 ALA 25 HB2 ALA 25 -1.502 24.896 -20.468 184 HB3 ALA 25 HB3 ALA 25 -1.568 24.560 -22.198 185 H PHE 26 H PHE 26 -0.644 21.797 -19.551 186 HA PHE 26 HA PHE 26 1.414 21.379 -21.383 187 HB2 PHE 26 HB2 PHE 26 2.455 20.150 -19.730 188 HB3 PHE 26 HB3 PHE 26 1.296 21.064 -18.771 189 HD1 PHE 26 HD1 PHE 26 -1.097 19.833 -18.625 190 HD2 PHE 26 HD2 PHE 26 2.660 17.929 -19.236 191 HE1 PHE 26 HE1 PHE 26 -2.022 17.732 -17.739 192 HE2 PHE 26 HE2 PHE 26 1.741 15.825 -18.351 193 HZ PHE 26 HZ PHE 26 -0.603 15.724 -17.602 194 H HIS 27 H HIS 27 -1.591 19.768 -21.030 195 HA HIS 27 HA HIS 27 -1.034 17.219 -21.991 196 HB2 HIS 27 HB2 HIS 27 -3.208 17.663 -21.116 197 HB3 HIS 27 HB3 HIS 27 -3.486 18.955 -22.280 198 HD1 HIS 27 HD1 HIS 27 -5.299 18.168 -23.764 199 HD2 HIS 27 HD2 HIS 27 -2.529 15.171 -22.984 200 HE1 HIS 27 HE1 HIS 27 -6.020 16.206 -25.162 201 H CYS 28 H CYS 28 0.337 17.024 -23.688 202 HA CYS 28 HA CYS 28 1.103 17.053 -25.830 203 HB2 CYS 28 HB2 CYS 28 -1.857 17.328 -26.170 204 HB3 CYS 28 HB3 CYS 28 -0.817 17.497 -27.581 205 H ASP 29 H ASP 29 2.469 18.780 -25.851 206 HA ASP 29 HA ASP 29 1.334 21.345 -26.758 207 HB2 ASP 29 HB2 ASP 29 3.948 21.150 -25.292 208 HB3 ASP 29 HB3 ASP 29 2.877 22.537 -25.466 209 H GLY 30 H GLY 30 4.106 19.150 -26.949 210 HA2 GLY 30 HA2 GLY 30 4.758 18.752 -29.365 211 HA3 GLY 30 HA3 GLY 30 4.904 20.501 -29.451 212 H LYS 31 H LYS 31 6.012 20.616 -26.699 213 HA LYS 31 HA LYS 31 8.595 19.286 -27.046 214 HB2 LYS 31 HB2 LYS 31 8.444 22.221 -26.374 215 HB3 LYS 31 HB3 LYS 31 9.869 21.276 -26.789 216 HG2 LYS 31 HG2 LYS 31 8.415 20.937 -29.027 217 HG3 LYS 31 HG3 LYS 31 7.856 22.535 -28.527 218 HD2 LYS 31 HD2 LYS 31 10.783 21.922 -28.569 219 HD3 LYS 31 HD3 LYS 31 9.943 22.314 -30.072 220 HE2 LYS 31 HE2 LYS 31 9.031 24.331 -28.659 221 HE3 LYS 31 HE3 LYS 31 10.462 24.017 -27.678 222 HZ1 LYS 31 HZ1 LYS 31 11.739 24.125 -29.837 223 HZ2 LYS 31 HZ2 LYS 31 11.112 25.590 -29.268 224 HZ3 LYS 31 HZ3 LYS 31 10.342 24.776 -30.536 225 H ASP 32 H ASP 32 10.023 19.943 -25.020 226 HA ASP 32 HA ASP 32 8.659 18.923 -22.751 227 HB2 ASP 32 HB2 ASP 32 11.151 18.716 -23.332 228 HB3 ASP 32 HB3 ASP 32 11.319 20.337 -22.662 229 H ASP 33 H ASP 33 7.812 19.915 -20.997 230 HA ASP 33 HA ASP 33 7.775 22.860 -21.031 231 HB2 ASP 33 HB2 ASP 33 5.732 20.899 -19.967 232 HB3 ASP 33 HB3 ASP 33 5.640 22.644 -19.742 233 H CYS 34 H CYS 34 8.197 20.002 -19.039 234 HA CYS 34 HA CYS 34 8.507 21.445 -16.584 235 HB2 CYS 34 HB2 CYS 34 7.818 18.972 -16.923 236 HB3 CYS 34 HB3 CYS 34 9.545 18.665 -17.067 237 H GLY 35 H GLY 35 10.663 20.194 -19.064 238 HA2 GLY 35 HA2 GLY 35 12.755 21.272 -19.513 239 HA3 GLY 35 HA3 GLY 35 12.848 21.716 -17.815 240 H ASN 36 H ASN 36 11.866 18.781 -17.374 241 HA ASN 36 HA ASN 36 14.581 17.665 -17.366 242 HB2 ASN 36 HB2 ASN 36 13.681 17.692 -15.168 243 HB3 ASN 36 HB3 ASN 36 12.129 17.066 -15.716 244 HD21 ASN 36 HD21 ASN 36 11.994 15.235 -14.568 245 HD22 ASN 36 HD22 ASN 36 13.124 13.931 -14.661 246 H GLY 37 H GLY 37 11.398 17.223 -18.658 247 HA2 GLY 37 HA2 GLY 37 10.996 15.951 -20.620 248 HA3 GLY 37 HA3 GLY 37 12.399 14.965 -20.236 249 H ALA 38 H ALA 38 9.541 15.845 -18.310 250 HA ALA 38 HA ALA 38 8.976 12.964 -18.030 251 HB1 ALA 38 HB1 ALA 38 9.841 14.329 -15.989 252 HB2 ALA 38 HB2 ALA 38 8.184 14.930 -15.925 253 HB3 ALA 38 HB3 ALA 38 8.500 13.201 -15.785 254 H ASP 39 H ASP 39 7.445 16.173 -17.738 255 HA ASP 39 HA ASP 39 4.796 15.297 -17.918 256 HB2 ASP 39 HB2 ASP 39 4.204 17.533 -18.086 257 HB3 ASP 39 HB3 ASP 39 5.794 17.644 -17.335 258 H GLU 40 H GLU 40 7.230 15.559 -20.323 259 HA GLU 40 HA GLU 40 5.756 15.999 -22.637 260 HB2 GLU 40 HB2 GLU 40 8.247 14.380 -22.133 261 HB3 GLU 40 HB3 GLU 40 7.573 14.580 -23.744 262 HG2 GLU 40 HG2 GLU 40 8.045 17.028 -22.146 263 HG3 GLU 40 HG3 GLU 40 9.453 16.176 -22.778 264 H GLU 41 H GLU 41 6.169 13.078 -20.737 265 HA GLU 41 HA GLU 41 5.079 11.265 -22.612 266 HB2 GLU 41 HB2 GLU 41 5.024 11.022 -19.601 267 HB3 GLU 41 HB3 GLU 41 4.907 9.714 -20.770 268 HG2 GLU 41 HG2 GLU 41 7.319 11.489 -20.555 269 HG3 GLU 41 HG3 GLU 41 7.133 10.004 -19.623 270 H ASN 42 H ASN 42 3.067 9.903 -21.395 271 HA ASN 42 HA ASN 42 0.810 9.832 -21.127 272 HB2 ASN 42 HB2 ASN 42 0.784 12.719 -20.306 273 HB3 ASN 42 HB3 ASN 42 -0.202 11.387 -19.711 274 HD21 ASN 42 HD21 ASN 42 1.133 9.604 -18.647 275 HD22 ASN 42 HD22 ASN 42 2.356 10.135 -17.548 276 H CYS 43 H CYS 43 2.229 11.139 -23.542 277 HA CYS 43 HA CYS 43 -0.218 11.764 -24.951 278 HB2 CYS 43 HB2 CYS 43 1.467 13.859 -23.967 279 HB3 CYS 43 HB3 CYS 43 1.558 13.837 -25.725 280 H GLY 44 H GLY 44 2.071 9.813 -24.944 281 HA2 GLY 44 HA2 GLY 44 3.245 10.317 -27.583 282 HA3 GLY 44 HA3 GLY 44 3.767 9.089 -26.438
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