NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
631413 | 6bi5 | 30351 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H1 GLY 1 21.820 24.461 9.848 2 H2 GLY 1 H2 GLY 1 20.181 24.286 9.865 3 H3 GLY 1 H3 GLY 1 21.096 23.331 8.887 4 HA2 GLY 1 HA2 GLY 1 20.336 22.122 10.854 5 HA3 GLY 1 HA3 GLY 1 22.111 22.266 10.787 6 H MET 2 H MET 2 22.690 22.413 12.887 7 HA MET 2 HA MET 2 22.389 24.940 14.157 8 HB2 MET 2 HB2 MET 2 21.428 24.217 16.323 9 HB3 MET 2 HB3 MET 2 20.275 24.157 15.003 10 HG2 MET 2 HG2 MET 2 20.673 21.677 14.827 11 HG3 MET 2 HG3 MET 2 21.734 21.791 16.237 12 HE1 MET 2 HE1 MET 2 18.148 23.432 15.395 13 HE2 MET 2 HE2 MET 2 18.141 21.751 14.814 14 HE3 MET 2 HE3 MET 2 17.125 22.222 16.193 15 H ALA 3 H ALA 3 24.059 25.346 15.524 16 HA ALA 3 HA ALA 3 26.323 23.526 15.461 17 HB1 ALA 3 HB1 ALA 3 26.537 25.946 15.116 18 HB2 ALA 3 HB2 ALA 3 25.920 26.254 16.754 19 HB3 ALA 3 HB3 ALA 3 27.479 25.426 16.527 20 H CYS 4 H CYS 4 23.800 24.104 17.836 21 HA CYS 4 HA CYS 4 24.951 22.202 19.664 22 HB2 CYS 4 HB2 CYS 4 24.800 23.536 21.541 23 HB3 CYS 4 HB3 CYS 4 25.687 24.515 20.395 24 H GLN 5 H GLN 5 23.401 21.014 20.519 25 HA GLN 5 HA GLN 5 21.057 20.712 18.913 26 HB2 GLN 5 HB2 GLN 5 21.751 19.277 21.517 27 HB3 GLN 5 HB3 GLN 5 20.562 18.762 20.326 28 HG2 GLN 5 HG2 GLN 5 23.581 18.885 19.995 29 HG3 GLN 5 HG3 GLN 5 22.545 17.454 20.010 30 HE21 GLN 5 HE21 GLN 5 21.384 18.036 16.604 31 HE22 GLN 5 HE22 GLN 5 20.764 17.508 18.172 32 H PHE 6 H PHE 6 19.164 21.649 19.015 33 HA PHE 6 HA PHE 6 18.205 23.457 20.837 34 HB2 PHE 6 HB2 PHE 6 17.322 23.200 18.621 35 HB3 PHE 6 HB3 PHE 6 16.773 21.566 18.936 36 HD1 PHE 6 HD1 PHE 6 14.660 21.129 20.066 37 HD2 PHE 6 HD2 PHE 6 16.093 25.164 19.540 38 HE1 PHE 6 HE1 PHE 6 12.427 22.008 20.691 39 HE2 PHE 6 HE2 PHE 6 13.845 26.029 20.125 40 HZ PHE 6 HZ PHE 6 12.020 24.462 20.725 41 H TRP 7 H TRP 7 17.218 20.023 20.759 42 HA TRP 7 HA TRP 7 15.551 20.078 23.036 43 HB2 TRP 7 HB2 TRP 7 17.059 17.651 22.000 44 HB3 TRP 7 HB3 TRP 7 15.487 17.684 22.768 45 HD1 TRP 7 HD1 TRP 7 13.402 17.988 21.205 46 HE1 TRP 7 HE1 TRP 7 13.027 18.269 18.677 47 HE3 TRP 7 HE3 TRP 7 18.269 18.603 19.741 48 HZ2 TRP 7 HZ2 TRP 7 14.627 18.940 16.358 49 HZ3 TRP 7 HZ3 TRP 7 18.800 19.221 17.400 50 HH2 TRP 7 HH2 TRP 7 16.992 19.372 15.697 51 H SER 8 H SER 8 18.922 20.277 23.010 52 HA SER 8 HA SER 8 19.183 19.355 25.845 53 HB2 SER 8 HB2 SER 8 20.802 18.363 24.311 54 HB3 SER 8 HB3 SER 8 21.334 19.955 23.772 55 HG SER 8 HG SER 8 22.262 20.330 25.665 56 H CYS 9 H CYS 9 20.142 22.110 23.691 57 HA CYS 9 HA CYS 9 21.006 23.671 25.876 58 HB2 CYS 9 HB2 CYS 9 21.845 23.792 23.574 59 HB3 CYS 9 HB3 CYS 9 20.332 24.502 23.039 60 H ASN 10 H ASN 10 17.771 24.001 24.040 61 HA ASN 10 HA ASN 10 16.792 26.038 25.699 62 HB2 ASN 10 HB2 ASN 10 15.548 23.765 24.062 63 HB3 ASN 10 HB3 ASN 10 14.631 25.009 24.846 64 HD21 ASN 10 HD21 ASN 10 15.052 27.208 22.149 65 HD22 ASN 10 HD22 ASN 10 14.017 26.663 23.462 66 H SER 11 H SER 11 16.486 22.467 25.990 67 HA SER 11 HA SER 11 14.790 22.584 28.295 68 HB2 SER 11 HB2 SER 11 15.103 20.709 26.557 69 HB3 SER 11 HB3 SER 11 16.467 20.181 27.557 70 HG SER 11 HG SER 11 13.694 20.385 28.164 71 H SER 12 H SER 12 18.315 22.527 28.003 72 HA SER 12 HA SER 12 18.906 22.225 30.825 73 HB2 SER 12 HB2 SER 12 20.619 21.757 29.190 74 HB3 SER 12 HB3 SER 12 20.479 23.387 28.505 75 HG SER 12 HG SER 12 21.321 22.677 31.132 76 H CYS 13 H CYS 13 19.032 25.138 28.713 77 HA CYS 13 HA CYS 13 19.531 26.916 30.823 78 HB2 CYS 13 HB2 CYS 13 18.283 27.349 28.086 79 HB3 CYS 13 HB3 CYS 13 18.784 28.664 29.143 80 H ILE 14 H ILE 14 16.310 26.027 29.463 81 HA ILE 14 HA ILE 14 14.892 27.926 31.121 82 HB ILE 14 HB ILE 14 13.961 25.476 29.599 83 HG12 ILE 14 HG12 ILE 14 13.643 28.455 28.959 84 HG13 ILE 14 HG13 ILE 14 14.952 27.477 28.312 85 HG21 ILE 14 HG21 ILE 14 11.670 26.442 29.858 86 HG22 ILE 14 HG22 ILE 14 12.352 25.941 31.397 87 HG23 ILE 14 HG23 ILE 14 12.328 27.664 30.965 88 HD11 ILE 14 HD11 ILE 14 13.292 27.611 26.630 89 HD12 ILE 14 HD12 ILE 14 13.265 25.951 27.254 90 HD13 ILE 14 HD13 ILE 14 12.005 27.115 27.733 91 H SER 15 H SER 15 15.837 24.515 31.645 92 HA SER 15 HA SER 15 14.496 24.188 34.162 93 HB2 SER 15 HB2 SER 15 15.342 22.252 32.983 94 HB3 SER 15 HB3 SER 15 16.989 22.897 33.003 95 HG SER 15 HG SER 15 15.467 21.849 35.148 96 H ARG 16 H ARG 16 17.789 25.391 33.365 97 HA ARG 16 HA ARG 16 18.501 26.022 36.106 98 HB2 ARG 16 HB2 ARG 16 19.579 27.158 33.498 99 HB3 ARG 16 HB3 ARG 16 20.274 27.411 35.092 100 HG2 ARG 16 HG2 ARG 16 20.179 24.801 33.535 101 HG3 ARG 16 HG3 ARG 16 21.570 25.773 33.967 102 HD2 ARG 16 HD2 ARG 16 21.789 24.152 35.547 103 HD3 ARG 16 HD3 ARG 16 20.782 25.279 36.456 104 HE ARG 16 HE ARG 16 19.452 23.100 34.891 105 HH11 ARG 16 HH11 ARG 16 20.650 23.844 38.116 106 HH12 ARG 16 HH12 ARG 16 19.381 22.888 38.861 107 HH21 ARG 16 HH21 ARG 16 17.993 21.882 35.877 108 HH22 ARG 16 HH22 ARG 16 18.034 21.690 37.622 109 H GLY 17 H GLY 17 16.558 27.788 33.774 110 HA2 GLY 17 HA2 GLY 17 14.793 29.008 35.151 111 HA3 GLY 17 HA3 GLY 17 16.123 29.932 35.838 112 H TYR 18 H TYR 18 16.901 29.516 32.629 113 HA TYR 18 HA TYR 18 16.444 32.346 32.109 114 HB2 TYR 18 HB2 TYR 18 17.791 30.105 30.562 115 HB3 TYR 18 HB3 TYR 18 17.777 31.778 30.044 116 HD1 TYR 18 HD1 TYR 18 19.036 29.478 32.734 117 HD2 TYR 18 HD2 TYR 18 19.169 33.430 31.025 118 HE1 TYR 18 HE1 TYR 18 21.009 30.034 34.145 119 HE2 TYR 18 HE2 TYR 18 21.165 33.960 32.387 120 HH TYR 18 HH TYR 18 22.519 33.274 34.100 121 H ARG 19 H ARG 19 15.801 33.040 29.828 122 HA ARG 19 HA ARG 19 13.109 31.963 29.201 123 HB2 ARG 19 HB2 ARG 19 14.690 34.185 27.836 124 HB3 ARG 19 HB3 ARG 19 13.036 33.726 27.512 125 HG2 ARG 19 HG2 ARG 19 12.751 35.592 28.813 126 HG3 ARG 19 HG3 ARG 19 12.502 34.289 29.964 127 HD2 ARG 19 HD2 ARG 19 13.828 36.175 30.897 128 HD3 ARG 19 HD3 ARG 19 14.715 34.665 30.938 129 HE ARG 19 HE ARG 19 16.310 35.558 29.490 130 HH11 ARG 19 HH11 ARG 19 13.593 37.826 29.331 131 HH12 ARG 19 HH12 ARG 19 14.436 38.770 28.122 132 HH21 ARG 19 HH21 ARG 19 17.266 36.852 28.233 133 HH22 ARG 19 HH22 ARG 19 16.495 38.309 27.569 134 H GLN 20 H GLN 20 16.363 31.993 27.734 135 HA GLN 20 HA GLN 20 15.568 29.784 25.929 136 HB2 GLN 20 HB2 GLN 20 14.971 32.073 24.936 137 HB3 GLN 20 HB3 GLN 20 16.702 32.393 24.869 138 HG2 GLN 20 HG2 GLN 20 16.987 30.500 23.295 139 HG3 GLN 20 HG3 GLN 20 15.261 30.127 23.430 140 HE21 GLN 20 HE21 GLN 20 14.286 32.761 21.214 141 HE22 GLN 20 HE22 GLN 20 13.699 31.607 22.395 142 H GLY 21 H GLY 21 17.366 28.812 24.785 143 HA2 GLY 21 HA2 GLY 21 20.122 29.464 25.755 144 HA3 GLY 21 HA3 GLY 21 19.567 27.795 25.576 145 H LYS 22 H LYS 22 21.517 29.858 24.080 146 HA LYS 22 HA LYS 22 20.906 28.853 21.353 147 HB2 LYS 22 HB2 LYS 22 21.280 31.767 22.098 148 HB3 LYS 22 HB3 LYS 22 21.411 31.203 20.462 149 HG2 LYS 22 HG2 LYS 22 18.863 30.870 22.077 150 HG3 LYS 22 HG3 LYS 22 19.276 32.328 21.189 151 HD2 LYS 22 HD2 LYS 22 17.801 31.156 19.826 152 HD3 LYS 22 HD3 LYS 22 19.398 31.033 19.086 153 HE2 LYS 22 HE2 LYS 22 19.619 28.719 19.985 154 HE3 LYS 22 HE3 LYS 22 18.026 28.864 20.753 155 HZ1 LYS 22 HZ1 LYS 22 18.570 29.079 17.843 156 HZ2 LYS 22 HZ2 LYS 22 17.926 27.759 18.553 157 HZ3 LYS 22 HZ3 LYS 22 17.083 29.168 18.544 158 H CYS 23 H CYS 23 22.537 29.040 19.837 159 HA CYS 23 HA CYS 23 25.199 28.476 20.981 160 HB2 CYS 23 HB2 CYS 23 24.492 28.171 18.083 161 HB3 CYS 23 HB3 CYS 23 25.586 27.209 19.070 162 H TRP 24 H TRP 24 27.102 29.417 20.093 163 HA TRP 24 HA TRP 24 26.823 31.978 18.579 164 HB2 TRP 24 HB2 TRP 24 28.031 31.729 21.352 165 HB3 TRP 24 HB3 TRP 24 28.086 33.170 20.334 166 HD1 TRP 24 HD1 TRP 24 25.923 31.421 22.819 167 HE1 TRP 24 HE1 TRP 24 23.839 32.861 23.321 168 HE3 TRP 24 HE3 TRP 24 26.251 34.740 18.942 169 HZ2 TRP 24 HZ2 TRP 24 22.435 35.049 22.128 170 HZ3 TRP 24 HZ3 TRP 24 24.513 36.492 18.637 171 HH2 TRP 24 HH2 TRP 24 22.608 36.664 20.223 172 H GLY 25 H GLY 25 28.215 29.214 18.247 173 HA2 GLY 25 HA2 GLY 25 30.128 28.486 17.162 174 HA3 GLY 25 HA3 GLY 25 30.718 30.155 17.087 175 H LYS 26 H LYS 26 29.873 29.297 20.261 176 HA LYS 26 HA LYS 26 32.621 28.437 21.010 177 HB2 LYS 26 HB2 LYS 26 32.631 30.183 22.781 178 HB3 LYS 26 HB3 LYS 26 32.783 30.748 21.115 179 HG2 LYS 26 HG2 LYS 26 30.426 31.467 21.103 180 HG3 LYS 26 HG3 LYS 26 30.200 30.836 22.734 181 HD2 LYS 26 HD2 LYS 26 30.436 33.219 22.723 182 HD3 LYS 26 HD3 LYS 26 31.767 32.465 23.626 183 HE2 LYS 26 HE2 LYS 26 33.269 32.778 21.675 184 HE3 LYS 26 HE3 LYS 26 31.930 33.464 20.744 185 HZ1 LYS 26 HZ1 LYS 26 31.818 35.236 22.502 186 HZ2 LYS 26 HZ2 LYS 26 33.233 34.681 23.128 187 HZ3 LYS 26 HZ3 LYS 26 33.205 35.259 21.602 188 H TYR 27 H TYR 27 29.274 28.929 22.384 189 HA TYR 27 HA TYR 27 29.302 26.355 23.669 190 HB2 TYR 27 HB2 TYR 27 30.831 27.744 25.170 191 HB3 TYR 27 HB3 TYR 27 29.481 28.823 25.454 192 HD1 TYR 27 HD1 TYR 27 28.131 28.414 27.357 193 HD2 TYR 27 HD2 TYR 27 30.458 25.187 25.679 194 HE1 TYR 27 HE1 TYR 27 27.551 26.983 29.298 195 HE2 TYR 27 HE2 TYR 27 29.846 23.745 27.616 196 HH TYR 27 HH TYR 27 27.756 24.938 30.271 197 H CYS 28 H CYS 28 27.204 25.915 24.707 198 HA CYS 28 HA CYS 28 24.901 27.455 23.805 199 HB2 CYS 28 HB2 CYS 28 24.652 25.085 24.106 200 HB3 CYS 28 HB3 CYS 28 25.319 25.171 25.732 201 H GLN 29 H GLN 29 25.421 29.565 24.519 202 HA GLN 29 HA GLN 29 25.496 30.182 27.387 203 HB2 GLN 29 HB2 GLN 29 25.221 32.044 25.032 204 HB3 GLN 29 HB3 GLN 29 25.484 32.535 26.696 205 HG2 GLN 29 HG2 GLN 29 27.479 30.829 25.135 206 HG3 GLN 29 HG3 GLN 29 27.490 32.581 25.157 207 HE21 GLN 29 HE21 GLN 29 29.737 32.381 27.879 208 HE22 GLN 29 HE22 GLN 29 29.357 33.102 26.315 209 H CYS 30 H CYS 30 23.727 30.046 28.624 210 HA CYS 30 HA CYS 30 21.006 30.367 27.671 211 HB2 CYS 30 HB2 CYS 30 22.066 30.485 30.517 212 HB3 CYS 30 HB3 CYS 30 20.418 30.154 29.997 213 H TYR 31 H TYR 31 19.546 32.141 27.946 214 HA TYR 31 HA TYR 31 20.460 34.567 29.277 215 HB2 TYR 31 HB2 TYR 31 20.600 36.003 27.486 216 HB3 TYR 31 HB3 TYR 31 21.568 34.621 27.063 217 HD1 TYR 31 HD1 TYR 31 19.805 32.702 25.717 218 HD2 TYR 31 HD2 TYR 31 19.813 37.019 25.600 219 HE1 TYR 31 HE1 TYR 31 18.829 32.657 23.455 220 HE2 TYR 31 HE2 TYR 31 18.883 36.954 23.302 221 HH TYR 31 HH TYR 31 17.845 33.957 21.768 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 34.596 19.122 14.506 2 H2 GLY 1 H2 GLY 1 33.328 20.078 14.043 3 H3 GLY 1 H3 GLY 1 33.053 18.534 14.526 4 HA2 GLY 1 HA2 GLY 1 33.827 19.057 16.749 5 HA3 GLY 1 HA3 GLY 1 34.061 20.730 16.211 6 H MET 2 H MET 2 32.568 20.760 18.266 7 HA MET 2 HA MET 2 29.779 21.258 17.454 8 HB2 MET 2 HB2 MET 2 29.639 18.936 17.933 9 HB3 MET 2 HB3 MET 2 30.750 19.050 19.301 10 HG2 MET 2 HG2 MET 2 29.131 20.202 20.639 11 HG3 MET 2 HG3 MET 2 27.976 20.270 19.295 12 HE1 MET 2 HE1 MET 2 26.611 16.683 19.010 13 HE2 MET 2 HE2 MET 2 26.370 18.401 18.633 14 HE3 MET 2 HE3 MET 2 27.775 17.534 17.975 15 H ALA 3 H ALA 3 28.663 22.592 18.956 16 HA ALA 3 HA ALA 3 29.865 23.283 21.548 17 HB1 ALA 3 HB1 ALA 3 31.046 24.829 20.040 18 HB2 ALA 3 HB2 ALA 3 29.488 25.405 19.392 19 HB3 ALA 3 HB3 ALA 3 29.928 25.711 21.087 20 H CYS 4 H CYS 4 27.016 23.108 19.521 21 HA CYS 4 HA CYS 4 25.369 23.990 21.823 22 HB2 CYS 4 HB2 CYS 4 25.912 26.011 20.530 23 HB3 CYS 4 HB3 CYS 4 25.201 25.287 19.081 24 H GLN 5 H GLN 5 24.530 22.012 22.102 25 HA GLN 5 HA GLN 5 22.950 20.612 20.038 26 HB2 GLN 5 HB2 GLN 5 23.319 20.169 23.030 27 HB3 GLN 5 HB3 GLN 5 22.332 19.153 21.991 28 HG2 GLN 5 HG2 GLN 5 24.217 18.507 20.652 29 HG3 GLN 5 HG3 GLN 5 25.292 19.589 21.557 30 HE21 GLN 5 HE21 GLN 5 26.047 16.375 23.075 31 HE22 GLN 5 HE22 GLN 5 26.427 17.355 21.662 32 H PHE 6 H PHE 6 21.974 23.086 19.947 33 HA PHE 6 HA PHE 6 20.398 24.280 21.815 34 HB2 PHE 6 HB2 PHE 6 20.826 25.318 19.704 35 HB3 PHE 6 HB3 PHE 6 20.039 24.022 18.817 36 HD1 PHE 6 HD1 PHE 6 18.207 24.921 17.666 37 HD2 PHE 6 HD2 PHE 6 18.885 26.099 21.762 38 HE1 PHE 6 HE1 PHE 6 16.085 26.204 17.659 39 HE2 PHE 6 HE2 PHE 6 16.754 27.350 21.746 40 HZ PHE 6 HZ PHE 6 15.339 27.401 19.706 41 H TRP 7 H TRP 7 19.204 21.662 19.741 42 HA TRP 7 HA TRP 7 16.460 21.979 20.357 43 HB2 TRP 7 HB2 TRP 7 17.890 19.485 19.366 44 HB3 TRP 7 HB3 TRP 7 16.176 19.858 19.195 45 HD1 TRP 7 HD1 TRP 7 15.462 21.549 17.317 46 HE1 TRP 7 HE1 TRP 7 16.668 22.955 15.550 47 HE3 TRP 7 HE3 TRP 7 20.323 20.499 18.584 48 HZ2 TRP 7 HZ2 TRP 7 19.359 23.654 14.855 49 HZ3 TRP 7 HZ3 TRP 7 22.179 21.675 17.438 50 HH2 TRP 7 HH2 TRP 7 21.708 23.278 15.598 51 H SER 8 H SER 8 18.904 20.015 22.006 52 HA SER 8 HA SER 8 16.950 19.073 24.023 53 HB2 SER 8 HB2 SER 8 18.891 17.808 24.913 54 HB3 SER 8 HB3 SER 8 18.459 17.383 23.249 55 HG SER 8 HG SER 8 20.697 18.806 24.214 56 H CYS 9 H CYS 9 19.768 21.228 23.623 57 HA CYS 9 HA CYS 9 20.207 21.823 26.325 58 HB2 CYS 9 HB2 CYS 9 21.757 22.354 24.461 59 HB3 CYS 9 HB3 CYS 9 20.646 23.633 23.933 60 H ASN 10 H ASN 10 17.628 23.259 24.198 61 HA ASN 10 HA ASN 10 16.767 25.341 25.742 62 HB2 ASN 10 HB2 ASN 10 15.727 23.283 23.835 63 HB3 ASN 10 HB3 ASN 10 14.510 23.830 24.946 64 HD21 ASN 10 HD21 ASN 10 15.327 27.277 23.379 65 HD22 ASN 10 HD22 ASN 10 15.599 26.735 25.011 66 H SER 11 H SER 11 16.294 21.851 26.480 67 HA SER 11 HA SER 11 14.598 22.222 28.784 68 HB2 SER 11 HB2 SER 11 14.760 20.047 27.767 69 HB3 SER 11 HB3 SER 11 16.517 20.014 27.949 70 HG SER 11 HG SER 11 14.659 20.068 30.105 71 H SER 12 H SER 12 18.164 22.119 28.425 72 HA SER 12 HA SER 12 18.712 22.315 31.251 73 HB2 SER 12 HB2 SER 12 20.273 21.444 29.459 74 HB3 SER 12 HB3 SER 12 20.543 23.128 28.970 75 HG SER 12 HG SER 12 20.984 21.917 31.507 76 H CYS 13 H CYS 13 18.584 24.773 28.636 77 HA CYS 13 HA CYS 13 19.188 27.054 30.199 78 HB2 CYS 13 HB2 CYS 13 17.249 26.836 27.860 79 HB3 CYS 13 HB3 CYS 13 17.930 28.324 28.489 80 H ILE 14 H ILE 14 15.929 25.659 29.481 81 HA ILE 14 HA ILE 14 14.429 27.449 31.113 82 HB ILE 14 HB ILE 14 13.933 24.591 30.198 83 HG12 ILE 14 HG12 ILE 14 12.612 27.177 29.250 84 HG13 ILE 14 HG13 ILE 14 14.074 26.553 28.512 85 HG21 ILE 14 HG21 ILE 14 11.978 26.473 31.597 86 HG22 ILE 14 HG22 ILE 14 11.525 24.956 30.792 87 HG23 ILE 14 HG23 ILE 14 12.559 24.909 32.204 88 HD11 ILE 14 HD11 ILE 14 11.371 25.168 28.548 89 HD12 ILE 14 HD12 ILE 14 12.264 25.809 27.159 90 HD13 ILE 14 HD13 ILE 14 12.879 24.387 28.016 91 H SER 15 H SER 15 15.923 24.285 31.930 92 HA SER 15 HA SER 15 14.951 24.138 34.600 93 HB2 SER 15 HB2 SER 15 17.557 22.989 33.520 94 HB3 SER 15 HB3 SER 15 16.694 22.487 34.986 95 HG SER 15 HG SER 15 15.861 22.267 32.279 96 H ARG 16 H ARG 16 18.164 25.305 33.465 97 HA ARG 16 HA ARG 16 18.997 26.165 36.094 98 HB2 ARG 16 HB2 ARG 16 20.155 26.768 33.342 99 HB3 ARG 16 HB3 ARG 16 20.943 27.114 34.878 100 HG2 ARG 16 HG2 ARG 16 20.342 24.352 33.748 101 HG3 ARG 16 HG3 ARG 16 21.901 25.138 33.949 102 HD2 ARG 16 HD2 ARG 16 22.013 23.931 35.856 103 HD3 ARG 16 HD3 ARG 16 21.074 25.242 36.519 104 HE ARG 16 HE ARG 16 19.147 23.884 36.570 105 HH11 ARG 16 HH11 ARG 16 21.880 22.044 35.297 106 HH12 ARG 16 HH12 ARG 16 21.016 20.547 35.333 107 HH21 ARG 16 HH21 ARG 16 18.181 21.907 36.800 108 HH22 ARG 16 HH22 ARG 16 18.986 20.447 36.278 109 H GLY 17 H GLY 17 16.851 27.725 34.042 110 HA2 GLY 17 HA2 GLY 17 15.566 29.420 35.073 111 HA3 GLY 17 HA3 GLY 17 16.981 30.084 35.873 112 H TYR 18 H TYR 18 16.939 29.361 32.413 113 HA TYR 18 HA TYR 18 17.236 32.261 31.751 114 HB2 TYR 18 HB2 TYR 18 18.130 29.751 30.301 115 HB3 TYR 18 HB3 TYR 18 18.383 31.382 29.739 116 HD1 TYR 18 HD1 TYR 18 20.174 32.752 30.596 117 HD2 TYR 18 HD2 TYR 18 19.290 28.940 32.424 118 HE1 TYR 18 HE1 TYR 18 22.292 32.887 31.885 119 HE2 TYR 18 HE2 TYR 18 21.394 29.116 33.764 120 HH TYR 18 HH TYR 18 23.714 31.794 33.333 121 H ARG 19 H ARG 19 16.343 32.952 29.606 122 HA ARG 19 HA ARG 19 13.589 31.812 29.257 123 HB2 ARG 19 HB2 ARG 19 14.633 34.335 27.938 124 HB3 ARG 19 HB3 ARG 19 12.998 33.761 28.080 125 HG2 ARG 19 HG2 ARG 19 13.036 35.451 29.613 126 HG3 ARG 19 HG3 ARG 19 13.213 34.026 30.627 127 HD2 ARG 19 HD2 ARG 19 14.674 35.917 31.337 128 HD3 ARG 19 HD3 ARG 19 15.604 34.495 30.921 129 HE ARG 19 HE ARG 19 16.436 35.509 28.993 130 HH11 ARG 19 HH11 ARG 19 14.172 37.801 30.518 131 HH12 ARG 19 HH12 ARG 19 14.797 39.106 29.519 132 HH21 ARG 19 HH21 ARG 19 16.911 37.272 27.671 133 HH22 ARG 19 HH22 ARG 19 16.247 38.839 28.072 134 H GLN 20 H GLN 20 16.451 32.507 27.258 135 HA GLN 20 HA GLN 20 15.247 30.884 25.039 136 HB2 GLN 20 HB2 GLN 20 15.038 33.245 24.683 137 HB3 GLN 20 HB3 GLN 20 16.747 33.526 25.021 138 HG2 GLN 20 HG2 GLN 20 17.449 32.762 22.965 139 HG3 GLN 20 HG3 GLN 20 16.098 31.642 22.777 140 HE21 GLN 20 HE21 GLN 20 15.638 35.501 21.508 141 HE22 GLN 20 HE22 GLN 20 17.135 34.959 22.256 142 H GLY 21 H GLY 21 16.442 29.447 23.947 143 HA2 GLY 21 HA2 GLY 21 19.071 28.675 24.950 144 HA3 GLY 21 HA3 GLY 21 18.092 27.824 23.761 145 H LYS 22 H LYS 22 19.327 31.208 23.612 146 HA LYS 22 HA LYS 22 20.495 30.688 20.969 147 HB2 LYS 22 HB2 LYS 22 19.431 32.928 21.961 148 HB3 LYS 22 HB3 LYS 22 21.080 33.210 22.479 149 HG2 LYS 22 HG2 LYS 22 21.301 34.184 20.464 150 HG3 LYS 22 HG3 LYS 22 21.531 32.557 19.848 151 HD2 LYS 22 HD2 LYS 22 18.895 34.086 19.964 152 HD3 LYS 22 HD3 LYS 22 19.895 33.948 18.529 153 HE2 LYS 22 HE2 LYS 22 18.892 31.442 19.892 154 HE3 LYS 22 HE3 LYS 22 17.772 32.399 18.935 155 HZ1 LYS 22 HZ1 LYS 22 19.074 32.074 16.991 156 HZ2 LYS 22 HZ2 LYS 22 20.336 31.438 17.808 157 HZ3 LYS 22 HZ3 LYS 22 18.963 30.587 17.687 158 H CYS 23 H CYS 23 22.678 30.956 20.404 159 HA CYS 23 HA CYS 23 24.855 30.658 22.354 160 HB2 CYS 23 HB2 CYS 23 25.403 28.406 21.505 161 HB3 CYS 23 HB3 CYS 23 23.839 28.464 22.333 162 H TRP 24 H TRP 24 26.900 30.993 21.316 163 HA TRP 24 HA TRP 24 26.708 31.887 18.459 164 HB2 TRP 24 HB2 TRP 24 28.297 33.200 20.663 165 HB3 TRP 24 HB3 TRP 24 28.062 33.781 19.024 166 HD1 TRP 24 HD1 TRP 24 26.407 33.564 22.400 167 HE1 TRP 24 HE1 TRP 24 24.465 35.143 22.593 168 HE3 TRP 24 HE3 TRP 24 26.174 35.049 17.516 169 HZ2 TRP 24 HZ2 TRP 24 22.863 36.796 20.809 170 HZ3 TRP 24 HZ3 TRP 24 24.484 36.731 16.814 171 HH2 TRP 24 HH2 TRP 24 22.808 37.590 18.440 172 H GLY 25 H GLY 25 27.448 29.396 18.452 173 HA2 GLY 25 HA2 GLY 25 29.045 27.932 17.727 174 HA3 GLY 25 HA3 GLY 25 30.027 29.331 17.313 175 H LYS 26 H LYS 26 29.924 29.965 20.323 176 HA LYS 26 HA LYS 26 32.359 28.621 21.205 177 HB2 LYS 26 HB2 LYS 26 32.352 30.310 22.938 178 HB3 LYS 26 HB3 LYS 26 32.188 30.954 21.309 179 HG2 LYS 26 HG2 LYS 26 29.598 30.989 21.834 180 HG3 LYS 26 HG3 LYS 26 30.117 30.851 23.513 181 HD2 LYS 26 HD2 LYS 26 31.003 32.998 21.533 182 HD3 LYS 26 HD3 LYS 26 29.735 33.178 22.751 183 HE2 LYS 26 HE2 LYS 26 31.459 32.600 24.510 184 HE3 LYS 26 HE3 LYS 26 32.680 32.642 23.236 185 HZ1 LYS 26 HZ1 LYS 26 32.534 34.808 24.378 186 HZ2 LYS 26 HZ2 LYS 26 32.027 34.988 22.830 187 HZ3 LYS 26 HZ3 LYS 26 30.926 34.935 24.029 188 H TYR 27 H TYR 27 29.013 28.865 22.560 189 HA TYR 27 HA TYR 27 29.030 26.154 23.500 190 HB2 TYR 27 HB2 TYR 27 30.453 27.069 25.306 191 HB3 TYR 27 HB3 TYR 27 29.274 28.334 25.617 192 HD1 TYR 27 HD1 TYR 27 28.077 27.978 27.616 193 HD2 TYR 27 HD2 TYR 27 29.168 24.562 25.204 194 HE1 TYR 27 HE1 TYR 27 26.843 26.476 29.164 195 HE2 TYR 27 HE2 TYR 27 27.943 23.075 26.759 196 HH TYR 27 HH TYR 27 26.205 24.333 29.623 197 H CYS 28 H CYS 28 26.903 25.647 24.649 198 HA CYS 28 HA CYS 28 24.671 27.257 23.709 199 HB2 CYS 28 HB2 CYS 28 24.554 24.786 23.861 200 HB3 CYS 28 HB3 CYS 28 24.623 24.928 25.624 201 H GLN 29 H GLN 29 25.367 29.253 24.640 202 HA GLN 29 HA GLN 29 25.887 29.733 27.334 203 HB2 GLN 29 HB2 GLN 29 25.023 31.520 25.045 204 HB3 GLN 29 HB3 GLN 29 25.454 32.177 26.630 205 HG2 GLN 29 HG2 GLN 29 27.688 31.611 26.455 206 HG3 GLN 29 HG3 GLN 29 27.402 30.249 25.381 207 HE21 GLN 29 HE21 GLN 29 28.104 33.947 23.810 208 HE22 GLN 29 HE22 GLN 29 27.694 33.771 25.504 209 H CYS 30 H CYS 30 22.677 29.951 25.803 210 HA CYS 30 HA CYS 30 20.632 30.359 26.482 211 HB2 CYS 30 HB2 CYS 30 21.628 29.814 29.237 212 HB3 CYS 30 HB3 CYS 30 19.951 29.750 28.710 213 H TYR 31 H TYR 31 19.240 32.009 27.112 214 HA TYR 31 HA TYR 31 20.235 34.304 28.725 215 HB2 TYR 31 HB2 TYR 31 19.096 34.525 25.911 216 HB3 TYR 31 HB3 TYR 31 19.459 35.878 26.987 217 HD1 TYR 31 HD1 TYR 31 20.888 33.222 24.867 218 HD2 TYR 31 HD2 TYR 31 21.744 36.652 27.309 219 HE1 TYR 31 HE1 TYR 31 23.193 33.302 23.940 220 HE2 TYR 31 HE2 TYR 31 24.056 36.753 26.360 221 HH TYR 31 HH TYR 31 25.684 35.044 25.353 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 25.445 18.879 10.551 2 H2 GLY 1 H2 GLY 1 24.098 19.045 11.475 3 H3 GLY 1 H3 GLY 1 24.615 17.538 11.047 4 HA2 GLY 1 HA2 GLY 1 25.177 17.916 13.310 5 HA3 GLY 1 HA3 GLY 1 26.636 17.817 12.314 6 H MET 2 H MET 2 26.014 19.252 14.932 7 HA MET 2 HA MET 2 27.845 21.422 14.379 8 HB2 MET 2 HB2 MET 2 26.507 23.206 15.426 9 HB3 MET 2 HB3 MET 2 25.785 22.650 13.925 10 HG2 MET 2 HG2 MET 2 24.162 21.298 15.167 11 HG3 MET 2 HG3 MET 2 24.878 21.787 16.708 12 HE1 MET 2 HE1 MET 2 22.015 22.039 16.731 13 HE2 MET 2 HE2 MET 2 21.196 23.389 15.896 14 HE3 MET 2 HE3 MET 2 21.877 22.039 14.961 15 H ALA 3 H ALA 3 28.779 22.294 16.327 16 HA ALA 3 HA ALA 3 29.004 20.384 18.504 17 HB1 ALA 3 HB1 ALA 3 30.316 23.092 18.038 18 HB2 ALA 3 HB2 ALA 3 30.790 21.903 19.260 19 HB3 ALA 3 HB3 ALA 3 30.959 21.509 17.544 20 H CYS 4 H CYS 4 26.337 21.699 18.347 21 HA CYS 4 HA CYS 4 26.176 22.948 21.013 22 HB2 CYS 4 HB2 CYS 4 26.172 24.848 19.527 23 HB3 CYS 4 HB3 CYS 4 25.001 24.063 18.453 24 H GLN 5 H GLN 5 24.870 21.859 22.144 25 HA GLN 5 HA GLN 5 22.789 20.029 21.207 26 HB2 GLN 5 HB2 GLN 5 23.576 21.102 23.925 27 HB3 GLN 5 HB3 GLN 5 22.274 19.917 23.708 28 HG2 GLN 5 HG2 GLN 5 23.746 18.199 23.116 29 HG3 GLN 5 HG3 GLN 5 24.986 19.298 22.546 30 HE21 GLN 5 HE21 GLN 5 26.748 18.535 25.492 31 HE22 GLN 5 HE22 GLN 5 26.703 18.506 23.728 32 H PHE 6 H PHE 6 22.079 21.981 19.836 33 HA PHE 6 HA PHE 6 20.938 24.309 20.697 34 HB2 PHE 6 HB2 PHE 6 21.599 23.773 18.438 35 HB3 PHE 6 HB3 PHE 6 20.302 22.608 18.286 36 HD1 PHE 6 HD1 PHE 6 21.283 26.010 17.716 37 HD2 PHE 6 HD2 PHE 6 17.858 23.452 18.264 38 HE1 PHE 6 HE1 PHE 6 19.840 27.710 16.644 39 HE2 PHE 6 HE2 PHE 6 16.416 25.154 17.194 40 HZ PHE 6 HZ PHE 6 17.398 27.302 16.396 41 H TRP 7 H TRP 7 19.295 21.220 20.851 42 HA TRP 7 HA TRP 7 16.742 22.581 21.614 43 HB2 TRP 7 HB2 TRP 7 17.270 19.670 21.000 44 HB3 TRP 7 HB3 TRP 7 15.718 20.369 21.453 45 HD1 TRP 7 HD1 TRP 7 14.275 21.371 19.555 46 HE1 TRP 7 HE1 TRP 7 14.523 21.690 17.016 47 HE3 TRP 7 HE3 TRP 7 19.200 20.072 19.056 48 HZ2 TRP 7 HZ2 TRP 7 16.667 21.612 15.062 49 HZ3 TRP 7 HZ3 TRP 7 20.354 20.324 16.899 50 HH2 TRP 7 HH2 TRP 7 19.098 21.077 14.876 51 H SER 8 H SER 8 18.808 19.846 22.845 52 HA SER 8 HA SER 8 17.263 19.868 25.295 53 HB2 SER 8 HB2 SER 8 19.799 18.363 24.610 54 HB3 SER 8 HB3 SER 8 18.847 18.145 26.093 55 HG SER 8 HG SER 8 17.006 17.903 24.395 56 H CYS 9 H CYS 9 20.466 21.329 24.539 57 HA CYS 9 HA CYS 9 20.933 21.912 27.367 58 HB2 CYS 9 HB2 CYS 9 22.780 21.750 25.845 59 HB3 CYS 9 HB3 CYS 9 22.175 23.094 24.867 60 H ASN 10 H ASN 10 19.098 23.490 24.713 61 HA ASN 10 HA ASN 10 18.698 25.979 26.110 62 HB2 ASN 10 HB2 ASN 10 18.271 26.359 23.936 63 HB3 ASN 10 HB3 ASN 10 18.066 24.669 23.555 64 HD21 ASN 10 HD21 ASN 10 14.565 24.661 23.922 65 HD22 ASN 10 HD22 ASN 10 15.989 23.649 23.934 66 H SER 11 H SER 11 16.799 22.911 25.813 67 HA SER 11 HA SER 11 14.722 23.735 27.582 68 HB2 SER 11 HB2 SER 11 15.704 20.951 26.856 69 HB3 SER 11 HB3 SER 11 14.199 21.300 27.728 70 HG SER 11 HG SER 11 13.464 22.471 25.949 71 H SER 12 H SER 12 17.856 22.158 28.243 72 HA SER 12 HA SER 12 17.459 21.742 31.045 73 HB2 SER 12 HB2 SER 12 19.313 20.783 29.646 74 HB3 SER 12 HB3 SER 12 20.095 22.385 29.681 75 HG SER 12 HG SER 12 20.746 21.968 31.683 76 H CYS 13 H CYS 13 18.924 24.539 29.319 77 HA CYS 13 HA CYS 13 19.257 26.229 31.562 78 HB2 CYS 13 HB2 CYS 13 18.791 26.759 28.611 79 HB3 CYS 13 HB3 CYS 13 19.066 28.055 29.768 80 H ILE 14 H ILE 14 16.405 25.990 29.372 81 HA ILE 14 HA ILE 14 14.756 27.883 30.693 82 HB ILE 14 HB ILE 14 14.211 25.498 28.928 83 HG12 ILE 14 HG12 ILE 14 13.904 28.481 28.383 84 HG13 ILE 14 HG13 ILE 14 15.407 27.629 28.095 85 HG21 ILE 14 HG21 ILE 14 11.896 26.283 28.595 86 HG22 ILE 14 HG22 ILE 14 12.147 25.790 30.256 87 HG23 ILE 14 HG23 ILE 14 12.123 27.519 29.841 88 HD11 ILE 14 HD11 ILE 14 14.248 26.080 26.517 89 HD12 ILE 14 HD12 ILE 14 12.773 27.056 26.691 90 HD13 ILE 14 HD13 ILE 14 14.240 27.781 26.018 91 H SER 15 H SER 15 15.296 24.456 31.432 92 HA SER 15 HA SER 15 13.307 24.270 33.528 93 HB2 SER 15 HB2 SER 15 15.842 22.623 33.233 94 HB3 SER 15 HB3 SER 15 14.391 22.220 34.162 95 HG SER 15 HG SER 15 14.665 22.455 31.339 96 H ARG 16 H ARG 16 16.825 24.899 33.503 97 HA ARG 16 HA ARG 16 17.253 25.078 36.310 98 HB2 ARG 16 HB2 ARG 16 18.768 25.801 33.821 99 HB3 ARG 16 HB3 ARG 16 19.200 26.690 35.262 100 HG2 ARG 16 HG2 ARG 16 20.701 24.943 35.186 101 HG3 ARG 16 HG3 ARG 16 19.586 24.541 36.477 102 HD2 ARG 16 HD2 ARG 16 19.516 23.332 33.676 103 HD3 ARG 16 HD3 ARG 16 20.349 22.635 35.065 104 HE ARG 16 HE ARG 16 17.703 23.025 35.913 105 HH11 ARG 16 HH11 ARG 16 19.383 20.810 33.707 106 HH12 ARG 16 HH12 ARG 16 18.029 19.692 33.774 107 HH21 ARG 16 HH21 ARG 16 16.345 21.486 36.143 108 HH22 ARG 16 HH22 ARG 16 16.595 19.930 35.366 109 H GLY 17 H GLY 17 16.516 27.682 34.013 110 HA2 GLY 17 HA2 GLY 17 14.861 29.234 35.426 111 HA3 GLY 17 HA3 GLY 17 16.357 29.652 36.260 112 H TYR 18 H TYR 18 17.431 29.249 33.206 113 HA TYR 18 HA TYR 18 17.449 32.077 32.508 114 HB2 TYR 18 HB2 TYR 18 18.133 29.630 30.856 115 HB3 TYR 18 HB3 TYR 18 18.604 31.277 30.508 116 HD1 TYR 18 HD1 TYR 18 19.291 28.312 32.637 117 HD2 TYR 18 HD2 TYR 18 20.413 32.387 31.791 118 HE1 TYR 18 HE1 TYR 18 21.398 28.006 33.929 119 HE2 TYR 18 HE2 TYR 18 22.492 32.080 33.094 120 HH TYR 18 HH TYR 18 23.762 30.669 34.319 121 H ARG 19 H ARG 19 16.408 32.952 30.530 122 HA ARG 19 HA ARG 19 13.781 31.633 29.850 123 HB2 ARG 19 HB2 ARG 19 14.819 34.446 29.751 124 HB3 ARG 19 HB3 ARG 19 13.821 33.934 28.434 125 HG2 ARG 19 HG2 ARG 19 12.311 34.923 29.753 126 HG3 ARG 19 HG3 ARG 19 12.054 33.222 30.132 127 HD2 ARG 19 HD2 ARG 19 13.710 35.179 31.798 128 HD3 ARG 19 HD3 ARG 19 11.997 34.889 32.061 129 HE ARG 19 HE ARG 19 14.231 33.105 32.712 130 HH11 ARG 19 HH11 ARG 19 10.710 33.146 32.327 131 HH12 ARG 19 HH12 ARG 19 10.501 31.980 33.610 132 HH21 ARG 19 HH21 ARG 19 13.841 31.685 34.331 133 HH22 ARG 19 HH22 ARG 19 12.222 31.087 34.639 134 H GLN 20 H GLN 20 16.854 32.646 28.486 135 HA GLN 20 HA GLN 20 16.150 31.566 25.789 136 HB2 GLN 20 HB2 GLN 20 18.149 33.644 26.774 137 HB3 GLN 20 HB3 GLN 20 18.326 32.862 25.226 138 HG2 GLN 20 HG2 GLN 20 17.276 34.737 24.594 139 HG3 GLN 20 HG3 GLN 20 15.945 33.599 24.659 140 HE21 GLN 20 HE21 GLN 20 15.606 36.012 27.919 141 HE22 GLN 20 HE22 GLN 20 16.861 34.787 27.913 142 H GLY 21 H GLY 21 17.661 30.414 24.594 143 HA2 GLY 21 HA2 GLY 21 20.175 29.415 25.751 144 HA3 GLY 21 HA3 GLY 21 18.975 28.186 25.333 145 H LYS 22 H LYS 22 20.558 31.086 23.977 146 HA LYS 22 HA LYS 22 20.153 30.286 21.169 147 HB2 LYS 22 HB2 LYS 22 21.678 32.595 22.444 148 HB3 LYS 22 HB3 LYS 22 21.323 32.479 20.738 149 HG2 LYS 22 HG2 LYS 22 19.079 32.653 22.797 150 HG3 LYS 22 HG3 LYS 22 19.968 34.069 22.268 151 HD2 LYS 22 HD2 LYS 22 17.948 33.915 20.992 152 HD3 LYS 22 HD3 LYS 22 19.335 33.643 19.923 153 HE2 LYS 22 HE2 LYS 22 18.972 31.245 19.953 154 HE3 LYS 22 HE3 LYS 22 17.664 31.412 21.135 155 HZ1 LYS 22 HZ1 LYS 22 16.349 32.531 19.495 156 HZ2 LYS 22 HZ2 LYS 22 17.600 32.616 18.424 157 HZ3 LYS 22 HZ3 LYS 22 16.939 31.155 18.828 158 H CYS 23 H CYS 23 21.888 29.789 19.653 159 HA CYS 23 HA CYS 23 24.604 29.961 20.679 160 HB2 CYS 23 HB2 CYS 23 25.272 27.744 20.357 161 HB3 CYS 23 HB3 CYS 23 23.898 27.755 21.444 162 H TRP 24 H TRP 24 26.112 30.364 19.284 163 HA TRP 24 HA TRP 24 25.574 30.592 16.403 164 HB2 TRP 24 HB2 TRP 24 27.978 31.389 18.079 165 HB3 TRP 24 HB3 TRP 24 27.714 31.792 16.387 166 HD1 TRP 24 HD1 TRP 24 26.867 32.930 19.872 167 HE1 TRP 24 HE1 TRP 24 25.552 35.132 19.779 168 HE3 TRP 24 HE3 TRP 24 25.720 32.998 14.865 169 HZ2 TRP 24 HZ2 TRP 24 24.131 36.682 17.814 170 HZ3 TRP 24 HZ3 TRP 24 24.337 34.826 13.926 171 HH2 TRP 24 HH2 TRP 24 23.545 36.686 15.386 172 H GLY 25 H GLY 25 25.453 27.974 17.170 173 HA2 GLY 25 HA2 GLY 25 26.222 25.873 16.768 174 HA3 GLY 25 HA3 GLY 25 27.410 26.599 15.683 175 H LYS 26 H LYS 26 28.364 28.058 18.376 176 HA LYS 26 HA LYS 26 30.324 25.929 19.021 177 HB2 LYS 26 HB2 LYS 26 31.869 27.672 19.550 178 HB3 LYS 26 HB3 LYS 26 31.193 27.859 17.936 179 HG2 LYS 26 HG2 LYS 26 29.633 29.632 18.842 180 HG3 LYS 26 HG3 LYS 26 30.410 29.456 20.421 181 HD2 LYS 26 HD2 LYS 26 31.302 31.371 19.284 182 HD3 LYS 26 HD3 LYS 26 32.575 30.168 19.446 183 HE2 LYS 26 HE2 LYS 26 32.384 29.509 17.143 184 HE3 LYS 26 HE3 LYS 26 30.850 30.370 16.944 185 HZ1 LYS 26 HZ1 LYS 26 32.759 31.565 15.993 186 HZ2 LYS 26 HZ2 LYS 26 31.973 32.449 17.150 187 HZ3 LYS 26 HZ3 LYS 26 33.431 31.744 17.467 188 H TYR 27 H TYR 27 28.197 28.259 20.803 189 HA TYR 27 HA TYR 27 28.790 26.727 23.280 190 HB2 TYR 27 HB2 TYR 27 28.925 29.753 22.971 191 HB3 TYR 27 HB3 TYR 27 28.946 28.901 24.499 192 HD1 TYR 27 HD1 TYR 27 31.044 30.783 22.769 193 HD2 TYR 27 HD2 TYR 27 30.778 26.687 24.114 194 HE1 TYR 27 HE1 TYR 27 33.527 30.656 22.840 195 HE2 TYR 27 HE2 TYR 27 33.274 26.549 24.138 196 HH TYR 27 HH TYR 27 35.361 29.368 23.456 197 H CYS 28 H CYS 28 27.176 26.512 24.654 198 HA CYS 28 HA CYS 28 24.457 27.180 23.730 199 HB2 CYS 28 HB2 CYS 28 24.971 24.972 24.610 200 HB3 CYS 28 HB3 CYS 28 25.470 25.668 26.146 201 H GLN 29 H GLN 29 25.038 29.526 23.805 202 HA GLN 29 HA GLN 29 25.277 30.943 26.292 203 HB2 GLN 29 HB2 GLN 29 24.597 31.805 23.464 204 HB3 GLN 29 HB3 GLN 29 24.676 32.923 24.811 205 HG2 GLN 29 HG2 GLN 29 26.946 31.184 23.777 206 HG3 GLN 29 HG3 GLN 29 26.789 32.935 23.623 207 HE21 GLN 29 HE21 GLN 29 27.509 33.415 27.239 208 HE22 GLN 29 HE22 GLN 29 26.417 34.026 26.019 209 H CYS 30 H CYS 30 23.831 30.600 27.813 210 HA CYS 30 HA CYS 30 20.941 30.983 27.259 211 HB2 CYS 30 HB2 CYS 30 22.356 29.690 29.614 212 HB3 CYS 30 HB3 CYS 30 20.614 29.834 29.404 213 H TYR 31 H TYR 31 19.668 32.402 28.308 214 HA TYR 31 HA TYR 31 20.812 34.300 30.296 215 HB2 TYR 31 HB2 TYR 31 19.377 35.236 27.794 216 HB3 TYR 31 HB3 TYR 31 20.126 36.215 29.028 217 HD1 TYR 31 HD1 TYR 31 22.704 35.853 29.418 218 HD2 TYR 31 HD2 TYR 31 20.610 34.634 25.837 219 HE1 TYR 31 HE1 TYR 31 24.854 35.840 28.153 220 HE2 TYR 31 HE2 TYR 31 22.755 34.666 24.575 221 HH TYR 31 HH TYR 31 24.970 35.357 24.615 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 24.528 19.338 9.632 2 H2 GLY 1 H2 GLY 1 23.343 18.206 9.528 3 H3 GLY 1 H3 GLY 1 24.313 18.285 10.868 4 HA2 GLY 1 HA2 GLY 1 22.334 20.292 9.996 5 HA3 GLY 1 HA3 GLY 1 22.201 19.251 11.433 6 H MET 2 H MET 2 21.919 21.389 12.496 7 HA MET 2 HA MET 2 23.742 23.465 12.592 8 HB2 MET 2 HB2 MET 2 21.429 23.446 13.450 9 HB3 MET 2 HB3 MET 2 21.922 22.412 14.795 10 HG2 MET 2 HG2 MET 2 23.429 24.192 15.604 11 HG3 MET 2 HG3 MET 2 22.930 25.227 14.264 12 HE1 MET 2 HE1 MET 2 19.805 25.014 14.038 13 HE2 MET 2 HE2 MET 2 19.305 26.254 15.205 14 HE3 MET 2 HE3 MET 2 20.702 26.548 14.146 15 H ALA 3 H ALA 3 25.486 24.086 13.847 16 HA ALA 3 HA ALA 3 27.249 21.991 14.726 17 HB1 ALA 3 HB1 ALA 3 28.830 23.850 15.015 18 HB2 ALA 3 HB2 ALA 3 27.942 24.020 13.494 19 HB3 ALA 3 HB3 ALA 3 27.504 25.026 14.896 20 H CYS 4 H CYS 4 24.742 22.571 16.540 21 HA CYS 4 HA CYS 4 25.980 22.603 19.168 22 HB2 CYS 4 HB2 CYS 4 25.732 24.992 18.888 23 HB3 CYS 4 HB3 CYS 4 24.190 24.788 18.053 24 H GLN 5 H GLN 5 24.771 21.486 20.500 25 HA GLN 5 HA GLN 5 22.322 20.129 19.764 26 HB2 GLN 5 HB2 GLN 5 24.434 19.740 21.567 27 HB3 GLN 5 HB3 GLN 5 23.094 20.019 22.631 28 HG2 GLN 5 HG2 GLN 5 23.209 18.009 20.351 29 HG3 GLN 5 HG3 GLN 5 23.471 17.650 22.055 30 HE21 GLN 5 HE21 GLN 5 20.069 16.610 21.940 31 HE22 GLN 5 HE22 GLN 5 21.751 16.087 22.059 32 H PHE 6 H PHE 6 21.424 22.420 19.253 33 HA PHE 6 HA PHE 6 20.652 24.240 21.214 34 HB2 PHE 6 HB2 PHE 6 20.547 24.695 18.849 35 HB3 PHE 6 HB3 PHE 6 19.329 23.449 18.603 36 HD1 PHE 6 HD1 PHE 6 17.409 24.545 17.816 37 HD2 PHE 6 HD2 PHE 6 19.526 26.229 21.180 38 HE1 PHE 6 HE1 PHE 6 15.639 26.267 18.082 39 HE2 PHE 6 HE2 PHE 6 17.755 27.936 21.440 40 HZ PHE 6 HZ PHE 6 15.810 27.967 19.884 41 H TRP 7 H TRP 7 19.090 21.175 20.494 42 HA TRP 7 HA TRP 7 16.536 21.745 21.759 43 HB2 TRP 7 HB2 TRP 7 17.827 19.062 21.118 44 HB3 TRP 7 HB3 TRP 7 16.129 19.358 21.454 45 HD1 TRP 7 HD1 TRP 7 14.616 19.938 19.458 46 HE1 TRP 7 HE1 TRP 7 14.931 20.422 16.946 47 HE3 TRP 7 HE3 TRP 7 19.745 20.050 19.272 48 HZ2 TRP 7 HZ2 TRP 7 17.101 20.927 15.146 49 HZ3 TRP 7 HZ3 TRP 7 20.898 20.670 17.165 50 HH2 TRP 7 HH2 TRP 7 19.593 21.082 15.092 51 H SER 8 H SER 8 19.527 20.163 22.749 52 HA SER 8 HA SER 8 18.736 19.491 25.472 53 HB2 SER 8 HB2 SER 8 20.439 18.203 24.334 54 HB3 SER 8 HB3 SER 8 21.388 19.663 24.009 55 HG SER 8 HG SER 8 20.871 18.422 26.509 56 H CYS 9 H CYS 9 20.678 22.117 23.948 57 HA CYS 9 HA CYS 9 21.286 23.592 26.276 58 HB2 CYS 9 HB2 CYS 9 22.350 23.947 24.127 59 HB3 CYS 9 HB3 CYS 9 20.822 24.433 23.404 60 H ASN 10 H ASN 10 18.263 23.843 24.182 61 HA ASN 10 HA ASN 10 16.953 25.719 25.819 62 HB2 ASN 10 HB2 ASN 10 16.275 23.589 23.765 63 HB3 ASN 10 HB3 ASN 10 15.001 24.178 24.772 64 HD21 ASN 10 HD21 ASN 10 15.766 27.577 23.170 65 HD22 ASN 10 HD22 ASN 10 16.133 27.056 24.802 66 H SER 11 H SER 11 16.730 22.057 25.992 67 HA SER 11 HA SER 11 14.853 22.173 28.139 68 HB2 SER 11 HB2 SER 11 15.243 20.165 26.745 69 HB3 SER 11 HB3 SER 11 16.809 19.924 27.548 70 HG SER 11 HG SER 11 15.782 19.029 29.134 71 H SER 12 H SER 12 18.385 22.056 28.206 72 HA SER 12 HA SER 12 18.868 21.929 31.007 73 HB2 SER 12 HB2 SER 12 20.648 21.644 29.379 74 HB3 SER 12 HB3 SER 12 20.373 23.268 28.731 75 HG SER 12 HG SER 12 21.978 23.640 30.065 76 H CYS 13 H CYS 13 18.849 24.900 28.963 77 HA CYS 13 HA CYS 13 18.905 26.574 31.281 78 HB2 CYS 13 HB2 CYS 13 18.500 27.151 28.337 79 HB3 CYS 13 HB3 CYS 13 18.615 28.412 29.574 80 H ILE 14 H ILE 14 16.143 25.325 29.452 81 HA ILE 14 HA ILE 14 14.154 27.012 30.671 82 HB ILE 14 HB ILE 14 14.089 24.286 29.343 83 HG12 ILE 14 HG12 ILE 14 12.967 27.010 28.535 84 HG13 ILE 14 HG13 ILE 14 14.520 26.415 28.022 85 HG21 ILE 14 HG21 ILE 14 11.704 25.824 30.451 86 HG22 ILE 14 HG22 ILE 14 11.607 24.432 29.364 87 HG23 ILE 14 HG23 ILE 14 12.264 24.219 30.971 88 HD11 ILE 14 HD11 ILE 14 13.011 26.042 26.222 89 HD12 ILE 14 HD12 ILE 14 13.408 24.457 26.914 90 HD13 ILE 14 HD13 ILE 14 11.839 25.224 27.264 91 H SER 15 H SER 15 15.445 23.761 31.543 92 HA SER 15 HA SER 15 13.881 23.408 33.892 93 HB2 SER 15 HB2 SER 15 16.667 22.318 33.323 94 HB3 SER 15 HB3 SER 15 15.525 21.718 34.537 95 HG SER 15 HG SER 15 15.367 21.622 31.713 96 H ARG 16 H ARG 16 17.163 24.836 33.528 97 HA ARG 16 HA ARG 16 17.453 25.562 36.328 98 HB2 ARG 16 HB2 ARG 16 18.884 26.201 33.748 99 HB3 ARG 16 HB3 ARG 16 19.155 27.232 35.146 100 HG2 ARG 16 HG2 ARG 16 20.877 25.719 35.182 101 HG3 ARG 16 HG3 ARG 16 19.825 25.240 36.497 102 HD2 ARG 16 HD2 ARG 16 19.761 23.873 33.770 103 HD3 ARG 16 HD3 ARG 16 20.955 23.462 34.998 104 HE ARG 16 HE ARG 16 18.506 23.248 36.313 105 HH11 ARG 16 HH11 ARG 16 20.360 21.539 33.874 106 HH12 ARG 16 HH12 ARG 16 19.535 20.035 34.169 107 HH21 ARG 16 HH21 ARG 16 17.564 21.299 36.720 108 HH22 ARG 16 HH22 ARG 16 18.211 19.863 35.937 109 H GLY 17 H GLY 17 15.913 27.328 33.662 110 HA2 GLY 17 HA2 GLY 17 14.195 28.916 34.110 111 HA3 GLY 17 HA3 GLY 17 14.828 29.187 35.730 112 H TYR 18 H TYR 18 16.780 29.319 32.773 113 HA TYR 18 HA TYR 18 17.707 32.037 33.199 114 HB2 TYR 18 HB2 TYR 18 17.803 30.133 30.837 115 HB3 TYR 18 HB3 TYR 18 18.521 31.723 30.805 116 HD1 TYR 18 HD1 TYR 18 18.718 28.406 32.550 117 HD2 TYR 18 HD2 TYR 18 20.648 32.182 31.773 118 HE1 TYR 18 HE1 TYR 18 20.918 27.450 33.272 119 HE2 TYR 18 HE2 TYR 18 22.813 31.225 32.544 120 HH TYR 18 HH TYR 18 23.890 29.427 33.416 121 H ARG 19 H ARG 19 17.364 33.813 31.563 122 HA ARG 19 HA ARG 19 14.525 34.375 31.147 123 HB2 ARG 19 HB2 ARG 19 16.956 35.769 29.951 124 HB3 ARG 19 HB3 ARG 19 15.333 36.410 30.118 125 HG2 ARG 19 HG2 ARG 19 17.317 35.866 32.376 126 HG3 ARG 19 HG3 ARG 19 16.816 37.416 31.725 127 HD2 ARG 19 HD2 ARG 19 15.506 37.343 33.585 128 HD3 ARG 19 HD3 ARG 19 14.404 36.656 32.379 129 HE ARG 19 HE ARG 19 15.937 34.618 33.788 130 HH11 ARG 19 HH11 ARG 19 13.225 36.778 34.283 131 HH12 ARG 19 HH12 ARG 19 12.491 35.727 35.478 132 HH21 ARG 19 HH21 ARG 19 14.894 33.255 35.220 133 HH22 ARG 19 HH22 ARG 19 13.518 33.865 36.098 134 H GLN 20 H GLN 20 17.172 33.385 29.042 135 HA GLN 20 HA GLN 20 15.394 32.189 27.071 136 HB2 GLN 20 HB2 GLN 20 15.408 34.512 26.265 137 HB3 GLN 20 HB3 GLN 20 17.177 34.567 26.347 138 HG2 GLN 20 HG2 GLN 20 17.343 32.875 24.567 139 HG3 GLN 20 HG3 GLN 20 15.591 32.677 24.559 140 HE21 GLN 20 HE21 GLN 20 16.078 34.710 21.626 141 HE22 GLN 20 HE22 GLN 20 16.078 33.047 22.212 142 H GLY 21 H GLY 21 16.447 30.470 26.035 143 HA2 GLY 21 HA2 GLY 21 19.374 30.113 26.536 144 HA3 GLY 21 HA3 GLY 21 18.257 28.833 26.115 145 H LYS 22 H LYS 22 20.807 30.353 24.932 146 HA LYS 22 HA LYS 22 20.128 29.750 22.137 147 HB2 LYS 22 HB2 LYS 22 21.264 32.401 23.142 148 HB3 LYS 22 HB3 LYS 22 21.451 31.895 21.479 149 HG2 LYS 22 HG2 LYS 22 18.655 32.173 22.624 150 HG3 LYS 22 HG3 LYS 22 19.584 33.582 22.177 151 HD2 LYS 22 HD2 LYS 22 18.171 32.999 20.331 152 HD3 LYS 22 HD3 LYS 22 19.863 32.794 19.901 153 HE2 LYS 22 HE2 LYS 22 19.422 30.262 20.549 154 HE3 LYS 22 HE3 LYS 22 17.721 30.695 20.345 155 HZ1 LYS 22 HZ1 LYS 22 18.676 29.874 18.267 156 HZ2 LYS 22 HZ2 LYS 22 18.400 31.490 18.074 157 HZ3 LYS 22 HZ3 LYS 22 19.909 30.942 18.366 158 H CYS 23 H CYS 23 21.918 29.267 20.830 159 HA CYS 23 HA CYS 23 24.599 29.355 22.085 160 HB2 CYS 23 HB2 CYS 23 25.162 27.171 21.160 161 HB3 CYS 23 HB3 CYS 23 23.892 27.076 22.370 162 H TRP 24 H TRP 24 26.364 29.200 20.450 163 HA TRP 24 HA TRP 24 25.615 30.576 17.904 164 HB2 TRP 24 HB2 TRP 24 27.524 31.777 19.935 165 HB3 TRP 24 HB3 TRP 24 26.977 32.499 18.426 166 HD1 TRP 24 HD1 TRP 24 26.140 32.206 22.038 167 HE1 TRP 24 HE1 TRP 24 24.029 33.578 22.604 168 HE3 TRP 24 HE3 TRP 24 24.532 33.202 17.278 169 HZ2 TRP 24 HZ2 TRP 24 21.877 34.832 21.169 170 HZ3 TRP 24 HZ3 TRP 24 22.455 34.520 16.911 171 HH2 TRP 24 HH2 TRP 24 21.131 35.338 18.837 172 H GLY 25 H GLY 25 26.721 27.973 18.047 173 HA2 GLY 25 HA2 GLY 25 28.415 26.709 17.140 174 HA3 GLY 25 HA3 GLY 25 28.953 28.164 16.291 175 H LYS 26 H LYS 26 28.861 27.980 19.799 176 HA LYS 26 HA LYS 26 31.721 27.458 20.152 177 HB2 LYS 26 HB2 LYS 26 32.259 29.586 21.156 178 HB3 LYS 26 HB3 LYS 26 31.779 29.763 19.475 179 HG2 LYS 26 HG2 LYS 26 29.408 30.378 20.458 180 HG3 LYS 26 HG3 LYS 26 30.283 30.620 21.978 181 HD2 LYS 26 HD2 LYS 26 30.846 31.970 19.313 182 HD3 LYS 26 HD3 LYS 26 30.055 32.722 20.719 183 HE2 LYS 26 HE2 LYS 26 32.098 32.455 22.054 184 HE3 LYS 26 HE3 LYS 26 32.876 31.575 20.735 185 HZ1 LYS 26 HZ1 LYS 26 32.012 34.418 20.593 186 HZ2 LYS 26 HZ2 LYS 26 33.547 33.931 20.785 187 HZ3 LYS 26 HZ3 LYS 26 32.773 33.579 19.382 188 H TYR 27 H TYR 27 28.824 28.737 21.855 189 HA TYR 27 HA TYR 27 29.019 26.736 23.956 190 HB2 TYR 27 HB2 TYR 27 29.411 29.711 24.510 191 HB3 TYR 27 HB3 TYR 27 29.044 28.519 25.736 192 HD1 TYR 27 HD1 TYR 27 31.656 30.383 24.435 193 HD2 TYR 27 HD2 TYR 27 30.713 26.346 25.617 194 HE1 TYR 27 HE1 TYR 27 34.084 29.896 24.712 195 HE2 TYR 27 HE2 TYR 27 33.148 25.855 25.878 196 HH TYR 27 HH TYR 27 35.265 26.694 25.792 197 H CYS 28 H CYS 28 27.162 26.617 25.209 198 HA CYS 28 HA CYS 28 24.652 27.747 24.222 199 HB2 CYS 28 HB2 CYS 28 24.810 25.416 24.910 200 HB3 CYS 28 HB3 CYS 28 25.363 25.904 26.512 201 H GLN 29 H GLN 29 25.491 29.921 24.495 202 HA GLN 29 HA GLN 29 25.767 31.197 27.069 203 HB2 GLN 29 HB2 GLN 29 25.323 32.287 24.267 204 HB3 GLN 29 HB3 GLN 29 25.660 33.273 25.691 205 HG2 GLN 29 HG2 GLN 29 27.840 32.021 25.963 206 HG3 GLN 29 HG3 GLN 29 27.520 31.232 24.407 207 HE21 GLN 29 HE21 GLN 29 28.280 35.310 24.415 208 HE22 GLN 29 HE22 GLN 29 27.611 34.552 25.859 209 H CYS 30 H CYS 30 23.813 30.477 28.151 210 HA CYS 30 HA CYS 30 21.242 31.626 27.343 211 HB2 CYS 30 HB2 CYS 30 22.057 30.063 29.803 212 HB3 CYS 30 HB3 CYS 30 20.403 30.506 29.359 213 H TYR 31 H TYR 31 20.003 33.087 28.405 214 HA TYR 31 HA TYR 31 21.450 35.439 29.358 215 HB2 TYR 31 HB2 TYR 31 18.602 34.885 28.474 216 HB3 TYR 31 HB3 TYR 31 19.114 36.438 29.089 217 HD1 TYR 31 HD1 TYR 31 20.016 33.970 26.363 218 HD2 TYR 31 HD2 TYR 31 19.828 38.079 27.645 219 HE1 TYR 31 HE1 TYR 31 20.576 34.708 24.061 220 HE2 TYR 31 HE2 TYR 31 20.361 38.827 25.343 221 HH TYR 31 HH TYR 31 21.091 38.162 23.323 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 30.303 21.996 19.279 2 H2 GLY 1 H2 GLY 1 31.547 21.476 20.239 3 H3 GLY 1 H3 GLY 1 31.558 23.000 19.622 4 HA2 GLY 1 HA2 GLY 1 30.961 23.155 21.898 5 HA3 GLY 1 HA3 GLY 1 29.556 23.540 20.881 6 H MET 2 H MET 2 30.693 21.639 23.435 7 HA MET 2 HA MET 2 29.155 19.251 23.182 8 HB2 MET 2 HB2 MET 2 30.125 20.781 25.632 9 HB3 MET 2 HB3 MET 2 29.351 19.196 25.720 10 HG2 MET 2 HG2 MET 2 31.874 19.749 24.122 11 HG3 MET 2 HG3 MET 2 31.854 19.151 25.780 12 HE1 MET 2 HE1 MET 2 33.380 17.098 25.103 13 HE2 MET 2 HE2 MET 2 33.029 16.028 23.729 14 HE3 MET 2 HE3 MET 2 33.419 17.737 23.444 15 H ALA 3 H ALA 3 27.071 18.692 23.683 16 HA ALA 3 HA ALA 3 24.879 18.913 23.972 17 HB1 ALA 3 HB1 ALA 3 24.237 19.589 26.168 18 HB2 ALA 3 HB2 ALA 3 25.810 18.791 26.249 19 HB3 ALA 3 HB3 ALA 3 25.713 20.563 26.369 20 H CYS 4 H CYS 4 25.887 20.954 22.140 21 HA CYS 4 HA CYS 4 24.368 23.382 22.632 22 HB2 CYS 4 HB2 CYS 4 26.300 22.396 20.525 23 HB3 CYS 4 HB3 CYS 4 25.295 23.785 20.174 24 H GLN 5 H GLN 5 23.398 20.516 21.423 25 HA GLN 5 HA GLN 5 21.812 21.208 19.141 26 HB2 GLN 5 HB2 GLN 5 21.119 19.011 21.142 27 HB3 GLN 5 HB3 GLN 5 20.608 19.171 19.471 28 HG2 GLN 5 HG2 GLN 5 22.212 17.571 19.253 29 HG3 GLN 5 HG3 GLN 5 23.173 18.999 18.891 30 HE21 GLN 5 HE21 GLN 5 25.010 16.796 21.349 31 HE22 GLN 5 HE22 GLN 5 24.272 16.476 19.777 32 H PHE 6 H PHE 6 19.835 22.142 18.946 33 HA PHE 6 HA PHE 6 19.004 24.021 20.689 34 HB2 PHE 6 HB2 PHE 6 18.344 23.853 18.357 35 HB3 PHE 6 HB3 PHE 6 17.332 22.463 18.691 36 HD1 PHE 6 HD1 PHE 6 15.064 22.728 19.483 37 HD2 PHE 6 HD2 PHE 6 17.715 26.121 19.247 38 HE1 PHE 6 HE1 PHE 6 13.124 24.272 19.698 39 HE2 PHE 6 HE2 PHE 6 15.764 27.656 19.435 40 HZ PHE 6 HZ PHE 6 13.472 26.720 19.619 41 H TRP 7 H TRP 7 17.320 20.903 20.450 42 HA TRP 7 HA TRP 7 15.485 21.301 22.564 43 HB2 TRP 7 HB2 TRP 7 16.489 18.610 21.592 44 HB3 TRP 7 HB3 TRP 7 14.888 19.013 22.199 45 HD1 TRP 7 HD1 TRP 7 13.158 19.987 20.501 46 HE1 TRP 7 HE1 TRP 7 13.151 20.552 18.011 47 HE3 TRP 7 HE3 TRP 7 18.117 19.202 19.507 48 HZ2 TRP 7 HZ2 TRP 7 15.110 20.786 15.865 49 HZ3 TRP 7 HZ3 TRP 7 19.049 19.769 17.274 50 HH2 TRP 7 HH2 TRP 7 17.550 20.540 15.449 51 H SER 8 H SER 8 18.809 20.466 22.798 52 HA SER 8 HA SER 8 18.610 19.263 25.513 53 HB2 SER 8 HB2 SER 8 20.050 18.184 23.841 54 HB3 SER 8 HB3 SER 8 20.965 19.685 23.631 55 HG SER 8 HG SER 8 21.931 18.152 24.987 56 H CYS 9 H CYS 9 20.232 21.978 23.801 57 HA CYS 9 HA CYS 9 21.215 23.339 26.092 58 HB2 CYS 9 HB2 CYS 9 22.052 23.746 23.874 59 HB3 CYS 9 HB3 CYS 9 20.466 24.238 23.291 60 H ASN 10 H ASN 10 18.013 23.765 24.351 61 HA ASN 10 HA ASN 10 16.955 25.722 26.061 62 HB2 ASN 10 HB2 ASN 10 15.811 23.458 24.359 63 HB3 ASN 10 HB3 ASN 10 14.847 24.650 25.152 64 HD21 ASN 10 HD21 ASN 10 15.120 25.748 21.711 65 HD22 ASN 10 HD22 ASN 10 14.375 24.480 22.677 66 H SER 11 H SER 11 16.775 22.084 26.294 67 HA SER 11 HA SER 11 15.102 22.041 28.613 68 HB2 SER 11 HB2 SER 11 15.417 20.092 27.187 69 HB3 SER 11 HB3 SER 11 17.139 20.016 27.598 70 HG SER 11 HG SER 11 16.655 19.468 29.658 71 H SER 12 H SER 12 18.648 22.167 28.305 72 HA SER 12 HA SER 12 19.260 22.092 31.109 73 HB2 SER 12 HB2 SER 12 20.938 21.713 29.372 74 HB3 SER 12 HB3 SER 12 20.761 23.378 28.799 75 HG SER 12 HG SER 12 22.070 23.982 30.280 76 H CYS 13 H CYS 13 19.015 24.963 28.931 77 HA CYS 13 HA CYS 13 19.284 26.747 31.146 78 HB2 CYS 13 HB2 CYS 13 18.747 27.035 28.216 79 HB3 CYS 13 HB3 CYS 13 18.524 28.426 29.268 80 H ILE 14 H ILE 14 16.269 25.698 29.500 81 HA ILE 14 HA ILE 14 14.539 27.482 30.916 82 HB ILE 14 HB ILE 14 14.069 24.819 29.525 83 HG12 ILE 14 HG12 ILE 14 13.327 27.642 28.603 84 HG13 ILE 14 HG13 ILE 14 14.858 26.897 28.191 85 HG21 ILE 14 HG21 ILE 14 11.653 25.385 29.465 86 HG22 ILE 14 HG22 ILE 14 12.215 25.099 31.094 87 HG23 ILE 14 HG23 ILE 14 11.954 26.768 30.529 88 HD11 ILE 14 HD11 ILE 14 13.425 26.557 26.322 89 HD12 ILE 14 HD12 ILE 14 13.593 24.990 27.115 90 HD13 ILE 14 HD13 ILE 14 12.104 25.933 27.330 91 H SER 15 H SER 15 16.020 24.443 31.934 92 HA SER 15 HA SER 15 14.391 24.362 34.385 93 HB2 SER 15 HB2 SER 15 15.656 22.373 34.970 94 HB3 SER 15 HB3 SER 15 14.902 22.239 33.374 95 HG SER 15 HG SER 15 16.816 22.365 32.406 96 H ARG 16 H ARG 16 17.720 25.337 33.454 97 HA ARG 16 HA ARG 16 18.576 25.966 36.173 98 HB2 ARG 16 HB2 ARG 16 19.585 26.620 33.392 99 HB3 ARG 16 HB3 ARG 16 20.087 27.626 34.731 100 HG2 ARG 16 HG2 ARG 16 21.806 26.191 34.671 101 HG3 ARG 16 HG3 ARG 16 20.825 25.462 35.932 102 HD2 ARG 16 HD2 ARG 16 20.961 24.554 33.024 103 HD3 ARG 16 HD3 ARG 16 21.910 23.863 34.330 104 HE ARG 16 HE ARG 16 19.085 23.405 33.751 105 HH11 ARG 16 HH11 ARG 16 21.545 23.051 36.289 106 HH12 ARG 16 HH12 ARG 16 20.594 21.819 37.096 107 HH21 ARG 16 HH21 ARG 16 17.994 21.912 34.845 108 HH22 ARG 16 HH22 ARG 16 18.577 21.250 36.364 109 H GLY 17 H GLY 17 16.925 27.893 33.687 110 HA2 GLY 17 HA2 GLY 17 15.145 29.193 35.195 111 HA3 GLY 17 HA3 GLY 17 16.564 30.177 35.547 112 H TYR 18 H TYR 18 17.697 29.914 32.873 113 HA TYR 18 HA TYR 18 16.669 32.248 31.710 114 HB2 TYR 18 HB2 TYR 18 18.371 30.186 30.315 115 HB3 TYR 18 HB3 TYR 18 18.331 31.914 30.035 116 HD1 TYR 18 HD1 TYR 18 19.592 33.427 31.485 117 HD2 TYR 18 HD2 TYR 18 19.489 29.190 32.288 118 HE1 TYR 18 HE1 TYR 18 21.369 33.713 33.205 119 HE2 TYR 18 HE2 TYR 18 21.313 29.484 33.978 120 HH TYR 18 HH TYR 18 22.873 30.978 34.849 121 H ARG 19 H ARG 19 14.897 32.582 30.463 122 HA ARG 19 HA ARG 19 13.299 30.503 29.309 123 HB2 ARG 19 HB2 ARG 19 13.371 33.505 28.749 124 HB3 ARG 19 HB3 ARG 19 12.077 32.412 28.273 125 HG2 ARG 19 HG2 ARG 19 12.831 33.195 31.127 126 HG3 ARG 19 HG3 ARG 19 11.394 33.642 30.213 127 HD2 ARG 19 HD2 ARG 19 10.511 31.942 31.455 128 HD3 ARG 19 HD3 ARG 19 11.039 31.036 30.023 129 HE ARG 19 HE ARG 19 13.072 31.154 32.096 130 HH11 ARG 19 HH11 ARG 19 10.186 29.271 31.206 131 HH12 ARG 19 HH12 ARG 19 10.665 28.003 32.332 132 HH21 ARG 19 HH21 ARG 19 13.509 29.505 33.384 133 HH22 ARG 19 HH22 ARG 19 12.571 28.026 33.316 134 H GLN 20 H GLN 20 16.087 32.086 27.935 135 HA GLN 20 HA GLN 20 15.577 30.567 25.416 136 HB2 GLN 20 HB2 GLN 20 15.071 33.037 25.151 137 HB3 GLN 20 HB3 GLN 20 16.773 33.356 25.521 138 HG2 GLN 20 HG2 GLN 20 17.367 31.824 23.546 139 HG3 GLN 20 HG3 GLN 20 15.643 31.758 23.191 140 HE21 GLN 20 HE21 GLN 20 16.668 34.262 20.856 141 HE22 GLN 20 HE22 GLN 20 16.429 32.528 21.097 142 H GLY 21 H GLY 21 17.292 29.521 24.532 143 HA2 GLY 21 HA2 GLY 21 20.051 30.075 25.526 144 HA3 GLY 21 HA3 GLY 21 19.469 28.406 25.455 145 H LYS 22 H LYS 22 21.594 30.125 23.991 146 HA LYS 22 HA LYS 22 21.042 29.208 21.210 147 HB2 LYS 22 HB2 LYS 22 21.614 32.052 22.102 148 HB3 LYS 22 HB3 LYS 22 21.839 31.551 20.459 149 HG2 LYS 22 HG2 LYS 22 19.114 31.361 21.811 150 HG3 LYS 22 HG3 LYS 22 19.729 32.838 21.092 151 HD2 LYS 22 HD2 LYS 22 18.337 31.846 19.470 152 HD3 LYS 22 HD3 LYS 22 20.004 31.684 18.904 153 HE2 LYS 22 HE2 LYS 22 20.016 29.315 19.704 154 HE3 LYS 22 HE3 LYS 22 18.331 29.486 20.208 155 HZ1 LYS 22 HZ1 LYS 22 18.693 28.494 17.961 156 HZ2 LYS 22 HZ2 LYS 22 17.754 29.857 17.892 157 HZ3 LYS 22 HZ3 LYS 22 19.372 29.873 17.452 158 H CYS 23 H CYS 23 22.646 27.819 20.961 159 HA CYS 23 HA CYS 23 25.431 28.675 21.542 160 HB2 CYS 23 HB2 CYS 23 24.831 26.431 22.292 161 HB3 CYS 23 HB3 CYS 23 24.299 26.000 20.672 162 H TRP 24 H TRP 24 26.862 29.154 20.033 163 HA TRP 24 HA TRP 24 26.107 29.076 17.170 164 HB2 TRP 24 HB2 TRP 24 27.970 31.025 18.558 165 HB3 TRP 24 HB3 TRP 24 27.374 31.114 16.903 166 HD1 TRP 24 HD1 TRP 24 26.477 31.949 20.455 167 HE1 TRP 24 HE1 TRP 24 24.224 33.175 20.589 168 HE3 TRP 24 HE3 TRP 24 24.905 31.321 15.620 169 HZ2 TRP 24 HZ2 TRP 24 22.098 33.924 18.804 170 HZ3 TRP 24 HZ3 TRP 24 22.736 32.283 14.871 171 HH2 TRP 24 HH2 TRP 24 21.332 33.593 16.448 172 H GLY 25 H GLY 25 27.020 26.746 17.919 173 HA2 GLY 25 HA2 GLY 25 28.602 25.137 17.504 174 HA3 GLY 25 HA3 GLY 25 29.605 26.354 16.717 175 H LYS 26 H LYS 26 29.427 27.877 19.482 176 HA LYS 26 HA LYS 26 31.865 26.606 20.583 177 HB2 LYS 26 HB2 LYS 26 30.661 29.284 21.343 178 HB3 LYS 26 HB3 LYS 26 32.275 28.683 21.719 179 HG2 LYS 26 HG2 LYS 26 32.821 28.710 19.268 180 HG3 LYS 26 HG3 LYS 26 31.192 29.306 18.950 181 HD2 LYS 26 HD2 LYS 26 32.479 31.203 18.817 182 HD3 LYS 26 HD3 LYS 26 31.716 31.323 20.403 183 HE2 LYS 26 HE2 LYS 26 33.808 30.557 21.483 184 HE3 LYS 26 HE3 LYS 26 34.549 30.299 19.894 185 HZ1 LYS 26 HZ1 LYS 26 33.682 32.926 20.987 186 HZ2 LYS 26 HZ2 LYS 26 35.224 32.426 20.816 187 HZ3 LYS 26 HZ3 LYS 26 34.303 32.700 19.477 188 H TYR 27 H TYR 27 28.826 27.945 22.034 189 HA TYR 27 HA TYR 27 28.668 25.753 23.940 190 HB2 TYR 27 HB2 TYR 27 30.586 27.293 24.803 191 HB3 TYR 27 HB3 TYR 27 29.316 28.457 25.151 192 HD1 TYR 27 HD1 TYR 27 27.930 28.176 27.152 193 HD2 TYR 27 HD2 TYR 27 30.606 25.044 25.868 194 HE1 TYR 27 HE1 TYR 27 27.472 26.921 29.251 195 HE2 TYR 27 HE2 TYR 27 30.155 23.795 27.974 196 HH TYR 27 HH TYR 27 28.911 23.678 29.830 197 H CYS 28 H CYS 28 26.749 25.768 25.177 198 HA CYS 28 HA CYS 28 24.478 27.261 24.212 199 HB2 CYS 28 HB2 CYS 28 24.388 24.921 24.950 200 HB3 CYS 28 HB3 CYS 28 24.918 25.402 26.560 201 H GLN 29 H GLN 29 25.513 29.426 24.572 202 HA GLN 29 HA GLN 29 25.317 30.570 27.266 203 HB2 GLN 29 HB2 GLN 29 25.429 31.992 24.582 204 HB3 GLN 29 HB3 GLN 29 25.692 32.696 26.184 205 HG2 GLN 29 HG2 GLN 29 27.618 30.944 26.401 206 HG3 GLN 29 HG3 GLN 29 27.469 30.759 24.650 207 HE21 GLN 29 HE21 GLN 29 30.031 33.428 25.560 208 HE22 GLN 29 HE22 GLN 29 29.811 31.768 26.140 209 H CYS 30 H CYS 30 23.631 31.886 28.095 210 HA CYS 30 HA CYS 30 21.003 31.718 26.694 211 HB2 CYS 30 HB2 CYS 30 21.674 30.671 29.462 212 HB3 CYS 30 HB3 CYS 30 20.049 30.787 28.784 213 H TYR 31 H TYR 31 19.215 32.795 27.839 214 HA TYR 31 HA TYR 31 20.046 35.447 28.952 215 HB2 TYR 31 HB2 TYR 31 18.123 34.965 26.657 216 HB3 TYR 31 HB3 TYR 31 18.629 36.517 27.299 217 HD1 TYR 31 HD1 TYR 31 19.576 33.654 25.153 218 HD2 TYR 31 HD2 TYR 31 20.905 37.398 26.848 219 HE1 TYR 31 HE1 TYR 31 21.489 33.695 23.578 220 HE2 TYR 31 HE2 TYR 31 22.790 37.453 25.223 221 HH TYR 31 HH TYR 31 23.582 34.707 23.155 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 27.225 18.326 9.877 2 H2 GLY 1 H2 GLY 1 28.096 18.551 11.251 3 H3 GLY 1 H3 GLY 1 27.920 19.783 10.166 4 HA2 GLY 1 HA2 GLY 1 25.575 19.936 10.628 5 HA3 GLY 1 HA3 GLY 1 25.741 18.553 11.727 6 H MET 2 H MET 2 24.729 20.104 13.220 7 HA MET 2 HA MET 2 26.668 21.957 14.556 8 HB2 MET 2 HB2 MET 2 24.805 23.172 15.413 9 HB3 MET 2 HB3 MET 2 24.596 23.009 13.675 10 HG2 MET 2 HG2 MET 2 23.024 21.097 14.113 11 HG3 MET 2 HG3 MET 2 23.164 21.413 15.845 12 HE1 MET 2 HE1 MET 2 21.330 24.825 16.281 13 HE2 MET 2 HE2 MET 2 22.147 23.467 17.079 14 HE3 MET 2 HE3 MET 2 23.081 24.614 16.089 15 H ALA 3 H ALA 3 26.641 21.992 16.913 16 HA ALA 3 HA ALA 3 26.248 19.268 18.069 17 HB1 ALA 3 HB1 ALA 3 28.548 20.112 17.897 18 HB2 ALA 3 HB2 ALA 3 28.104 21.543 18.856 19 HB3 ALA 3 HB3 ALA 3 28.054 19.925 19.593 20 H CYS 4 H CYS 4 25.047 22.528 18.455 21 HA CYS 4 HA CYS 4 23.937 21.860 21.149 22 HB2 CYS 4 HB2 CYS 4 23.789 24.427 21.304 23 HB3 CYS 4 HB3 CYS 4 25.297 23.575 21.568 24 H GLN 5 H GLN 5 22.395 20.592 19.783 25 HA GLN 5 HA GLN 5 20.354 21.692 18.233 26 HB2 GLN 5 HB2 GLN 5 20.374 19.306 20.121 27 HB3 GLN 5 HB3 GLN 5 18.962 19.743 19.173 28 HG2 GLN 5 HG2 GLN 5 20.115 18.050 17.959 29 HG3 GLN 5 HG3 GLN 5 20.233 19.562 17.080 30 HE21 GLN 5 HE21 GLN 5 23.637 18.757 16.628 31 HE22 GLN 5 HE22 GLN 5 22.050 18.917 15.884 32 H PHE 6 H PHE 6 18.376 22.551 18.524 33 HA PHE 6 HA PHE 6 18.192 24.549 20.344 34 HB2 PHE 6 HB2 PHE 6 16.983 24.490 18.254 35 HB3 PHE 6 HB3 PHE 6 15.920 23.234 18.854 36 HD1 PHE 6 HD1 PHE 6 13.946 23.778 20.126 37 HD2 PHE 6 HD2 PHE 6 16.881 26.818 19.289 38 HE1 PHE 6 HE1 PHE 6 12.334 25.525 20.833 39 HE2 PHE 6 HE2 PHE 6 15.259 28.571 19.984 40 HZ PHE 6 HZ PHE 6 12.975 27.925 20.742 41 H TRP 7 H TRP 7 16.175 21.628 20.619 42 HA TRP 7 HA TRP 7 14.959 22.377 23.063 43 HB2 TRP 7 HB2 TRP 7 15.293 19.577 21.945 44 HB3 TRP 7 HB3 TRP 7 14.094 20.104 23.124 45 HD1 TRP 7 HD1 TRP 7 11.982 21.372 22.232 46 HE1 TRP 7 HE1 TRP 7 11.101 22.098 19.945 47 HE3 TRP 7 HE3 TRP 7 16.040 20.076 19.390 48 HZ2 TRP 7 HZ2 TRP 7 12.061 22.130 17.201 49 HZ3 TRP 7 HZ3 TRP 7 16.122 20.687 16.997 50 HH2 TRP 7 HH2 TRP 7 14.130 21.664 15.875 51 H SER 8 H SER 8 17.926 20.487 22.521 52 HA SER 8 HA SER 8 18.184 19.567 25.267 53 HB2 SER 8 HB2 SER 8 19.233 18.378 23.392 54 HB3 SER 8 HB3 SER 8 20.256 19.789 23.048 55 HG SER 8 HG SER 8 20.316 17.968 25.191 56 H CYS 9 H CYS 9 19.686 22.239 23.392 57 HA CYS 9 HA CYS 9 21.183 23.389 25.552 58 HB2 CYS 9 HB2 CYS 9 21.688 23.989 23.310 59 HB3 CYS 9 HB3 CYS 9 20.023 24.439 22.946 60 H ASN 10 H ASN 10 17.780 24.141 24.373 61 HA ASN 10 HA ASN 10 17.256 26.084 26.333 62 HB2 ASN 10 HB2 ASN 10 15.607 24.185 24.614 63 HB3 ASN 10 HB3 ASN 10 14.907 25.352 25.685 64 HD21 ASN 10 HD21 ASN 10 14.809 26.925 22.465 65 HD22 ASN 10 HD22 ASN 10 13.937 25.823 23.526 66 H SER 11 H SER 11 16.972 22.491 26.479 67 HA SER 11 HA SER 11 15.356 22.373 28.823 68 HB2 SER 11 HB2 SER 11 15.812 20.477 27.256 69 HB3 SER 11 HB3 SER 11 17.454 20.367 27.909 70 HG SER 11 HG SER 11 15.021 19.578 28.941 71 H SER 12 H SER 12 18.912 22.415 28.429 72 HA SER 12 HA SER 12 19.590 22.456 31.222 73 HB2 SER 12 HB2 SER 12 21.262 21.941 29.561 74 HB3 SER 12 HB3 SER 12 21.016 23.492 28.747 75 HG SER 12 HG SER 12 22.102 23.084 31.353 76 H CYS 13 H CYS 13 19.064 25.165 28.915 77 HA CYS 13 HA CYS 13 19.435 27.289 30.736 78 HB2 CYS 13 HB2 CYS 13 17.601 27.079 28.319 79 HB3 CYS 13 HB3 CYS 13 17.984 28.578 29.121 80 H ILE 14 H ILE 14 16.315 25.652 29.948 81 HA ILE 14 HA ILE 14 14.747 27.161 31.831 82 HB ILE 14 HB ILE 14 14.275 24.625 30.237 83 HG12 ILE 14 HG12 ILE 14 13.090 27.408 29.838 84 HG13 ILE 14 HG13 ILE 14 14.592 26.924 29.080 85 HG21 ILE 14 HG21 ILE 14 12.753 24.501 32.146 86 HG22 ILE 14 HG22 ILE 14 12.246 26.187 31.900 87 HG23 ILE 14 HG23 ILE 14 11.836 24.932 30.715 88 HD11 ILE 14 HD11 ILE 14 13.396 24.996 27.987 89 HD12 ILE 14 HD12 ILE 14 11.870 25.711 28.571 90 HD13 ILE 14 HD13 ILE 14 12.908 26.616 27.459 91 H SER 15 H SER 15 16.608 24.149 32.161 92 HA SER 15 HA SER 15 15.590 23.400 34.735 93 HB2 SER 15 HB2 SER 15 17.047 21.928 33.381 94 HB3 SER 15 HB3 SER 15 18.402 23.045 33.623 95 HG SER 15 HG SER 15 17.058 21.384 35.430 96 H ARG 16 H ARG 16 18.166 25.689 33.763 97 HA ARG 16 HA ARG 16 18.599 26.575 36.556 98 HB2 ARG 16 HB2 ARG 16 19.955 27.059 33.907 99 HB3 ARG 16 HB3 ARG 16 20.145 28.230 35.201 100 HG2 ARG 16 HG2 ARG 16 21.980 26.794 35.342 101 HG3 ARG 16 HG3 ARG 16 20.977 26.475 36.737 102 HD2 ARG 16 HD2 ARG 16 20.973 24.734 34.230 103 HD3 ARG 16 HD3 ARG 16 22.122 24.506 35.536 104 HE ARG 16 HE ARG 16 19.470 23.488 35.467 105 HH11 ARG 16 HH11 ARG 16 21.808 24.675 37.859 106 HH12 ARG 16 HH12 ARG 16 20.955 23.858 39.139 107 HH21 ARG 16 HH21 ARG 16 18.626 22.389 37.105 108 HH22 ARG 16 HH22 ARG 16 19.369 22.440 38.701 109 H GLY 17 H GLY 17 16.534 27.588 33.998 110 HA2 GLY 17 HA2 GLY 17 14.505 28.677 34.874 111 HA3 GLY 17 HA3 GLY 17 15.520 29.744 35.842 112 H TYR 18 H TYR 18 16.851 29.343 32.769 113 HA TYR 18 HA TYR 18 16.126 32.034 31.861 114 HB2 TYR 18 HB2 TYR 18 17.869 29.821 30.747 115 HB3 TYR 18 HB3 TYR 18 17.717 31.398 30.007 116 HD1 TYR 18 HD1 TYR 18 18.981 33.279 30.841 117 HD2 TYR 18 HD2 TYR 18 18.943 29.528 32.995 118 HE1 TYR 18 HE1 TYR 18 20.813 34.104 32.313 119 HE2 TYR 18 HE2 TYR 18 20.838 30.345 34.407 120 HH TYR 18 HH TYR 18 21.731 33.590 34.642 121 H ARG 19 H ARG 19 15.436 32.323 29.496 122 HA ARG 19 HA ARG 19 13.008 30.622 29.111 123 HB2 ARG 19 HB2 ARG 19 13.844 33.184 27.693 124 HB3 ARG 19 HB3 ARG 19 12.349 32.302 27.463 125 HG2 ARG 19 HG2 ARG 19 11.620 33.935 28.868 126 HG3 ARG 19 HG3 ARG 19 11.917 32.630 30.002 127 HD2 ARG 19 HD2 ARG 19 12.698 34.817 30.866 128 HD3 ARG 19 HD3 ARG 19 14.025 33.676 30.718 129 HE ARG 19 HE ARG 19 15.040 35.070 29.156 130 HH11 ARG 19 HH11 ARG 19 11.670 36.179 29.330 131 HH12 ARG 19 HH12 ARG 19 11.962 37.343 28.062 132 HH21 ARG 19 HH21 ARG 19 15.318 36.571 27.791 133 HH22 ARG 19 HH22 ARG 19 14.043 37.698 27.304 134 H GLN 20 H GLN 20 16.048 31.266 27.475 135 HA GLN 20 HA GLN 20 15.682 29.081 25.547 136 HB2 GLN 20 HB2 GLN 20 14.377 30.998 24.608 137 HB3 GLN 20 HB3 GLN 20 15.804 32.015 24.683 138 HG2 GLN 20 HG2 GLN 20 16.902 30.818 22.925 139 HG3 GLN 20 HG3 GLN 20 15.802 29.439 23.077 140 HE21 GLN 20 HE21 GLN 20 13.088 31.232 21.349 141 HE22 GLN 20 HE22 GLN 20 13.255 30.252 22.805 142 H GLY 21 H GLY 21 17.675 28.778 24.229 143 HA2 GLY 21 HA2 GLY 21 20.000 30.480 24.948 144 HA3 GLY 21 HA3 GLY 21 20.181 28.726 25.016 145 H LYS 22 H LYS 22 21.658 30.480 23.380 146 HA LYS 22 HA LYS 22 21.075 29.376 20.662 147 HB2 LYS 22 HB2 LYS 22 21.689 32.256 21.375 148 HB3 LYS 22 HB3 LYS 22 21.892 31.671 19.766 149 HG2 LYS 22 HG2 LYS 22 19.202 31.561 21.194 150 HG3 LYS 22 HG3 LYS 22 19.822 32.985 20.364 151 HD2 LYS 22 HD2 LYS 22 18.374 32.052 18.848 152 HD3 LYS 22 HD3 LYS 22 19.997 31.661 18.259 153 HE2 LYS 22 HE2 LYS 22 19.749 29.375 19.184 154 HE3 LYS 22 HE3 LYS 22 18.134 29.768 19.780 155 HZ1 LYS 22 HZ1 LYS 22 17.316 29.864 17.602 156 HZ2 LYS 22 HZ2 LYS 22 18.768 30.224 16.951 157 HZ3 LYS 22 HZ3 LYS 22 18.440 28.672 17.445 158 H CYS 23 H CYS 23 22.799 28.799 19.466 159 HA CYS 23 HA CYS 23 25.353 28.291 20.723 160 HB2 CYS 23 HB2 CYS 23 24.523 28.228 17.803 161 HB3 CYS 23 HB3 CYS 23 25.967 27.494 18.469 162 H TRP 24 H TRP 24 27.352 29.247 20.385 163 HA TRP 24 HA TRP 24 27.537 31.640 18.593 164 HB2 TRP 24 HB2 TRP 24 28.462 31.466 21.474 165 HB3 TRP 24 HB3 TRP 24 28.902 32.761 20.362 166 HD1 TRP 24 HD1 TRP 24 26.239 31.784 22.743 167 HE1 TRP 24 HE1 TRP 24 24.272 33.441 22.658 168 HE3 TRP 24 HE3 TRP 24 27.526 34.355 18.510 169 HZ2 TRP 24 HZ2 TRP 24 23.287 35.478 20.867 170 HZ3 TRP 24 HZ3 TRP 24 26.024 36.114 17.601 171 HH2 TRP 24 HH2 TRP 24 23.907 36.682 18.770 172 H GLY 25 H GLY 25 28.759 28.641 18.961 173 HA2 GLY 25 HA2 GLY 25 30.629 27.707 17.864 174 HA3 GLY 25 HA3 GLY 25 31.362 29.299 17.685 175 H LYS 26 H LYS 26 30.125 28.491 20.811 176 HA LYS 26 HA LYS 26 32.616 27.400 21.921 177 HB2 LYS 26 HB2 LYS 26 33.072 29.237 23.408 178 HB3 LYS 26 HB3 LYS 26 33.105 29.787 21.739 179 HG2 LYS 26 HG2 LYS 26 30.656 30.593 22.153 180 HG3 LYS 26 HG3 LYS 26 30.998 30.330 23.869 181 HD2 LYS 26 HD2 LYS 26 32.403 32.209 21.947 182 HD3 LYS 26 HD3 LYS 26 31.378 32.636 23.339 183 HE2 LYS 26 HE2 LYS 26 33.110 31.366 24.778 184 HE3 LYS 26 HE3 LYS 26 34.136 31.347 23.352 185 HZ1 LYS 26 HZ1 LYS 26 34.704 33.212 24.679 186 HZ2 LYS 26 HZ2 LYS 26 33.954 33.849 23.365 187 HZ3 LYS 26 HZ3 LYS 26 33.172 33.713 24.845 188 H TYR 27 H TYR 27 29.364 28.754 22.722 189 HA TYR 27 HA TYR 27 28.685 26.471 24.348 190 HB2 TYR 27 HB2 TYR 27 30.142 27.934 25.882 191 HB3 TYR 27 HB3 TYR 27 28.901 29.165 25.758 192 HD1 TYR 27 HD1 TYR 27 26.717 28.848 26.906 193 HD2 TYR 27 HD2 TYR 27 29.768 25.799 27.023 194 HE1 TYR 27 HE1 TYR 27 25.450 27.653 28.675 195 HE2 TYR 27 HE2 TYR 27 28.511 24.626 28.826 196 HH TYR 27 HH TYR 27 25.253 25.597 29.768 197 H CYS 28 H CYS 28 26.406 26.395 24.614 198 HA CYS 28 HA CYS 28 24.924 28.273 22.924 199 HB2 CYS 28 HB2 CYS 28 24.688 25.839 22.757 200 HB3 CYS 28 HB3 CYS 28 23.941 25.809 24.351 201 H GLN 29 H GLN 29 25.447 30.059 24.324 202 HA GLN 29 HA GLN 29 24.766 30.235 27.049 203 HB2 GLN 29 HB2 GLN 29 25.217 32.428 25.001 204 HB3 GLN 29 HB3 GLN 29 25.069 32.718 26.741 205 HG2 GLN 29 HG2 GLN 29 27.052 31.366 27.188 206 HG3 GLN 29 HG3 GLN 29 27.179 30.909 25.484 207 HE21 GLN 29 HE21 GLN 29 28.348 34.697 26.562 208 HE22 GLN 29 HE22 GLN 29 27.250 33.828 27.630 209 H CYS 30 H CYS 30 23.132 30.906 28.244 210 HA CYS 30 HA CYS 30 20.492 30.916 27.005 211 HB2 CYS 30 HB2 CYS 30 21.316 30.905 29.915 212 HB3 CYS 30 HB3 CYS 30 19.716 30.532 29.271 213 H TYR 31 H TYR 31 18.771 32.405 27.431 214 HA TYR 31 HA TYR 31 19.346 34.959 28.805 215 HB2 TYR 31 HB2 TYR 31 18.677 36.263 26.815 216 HB3 TYR 31 HB3 TYR 31 20.157 35.378 26.640 217 HD1 TYR 31 HD1 TYR 31 20.563 34.055 24.748 218 HD2 TYR 31 HD2 TYR 31 16.520 35.246 25.703 219 HE1 TYR 31 HE1 TYR 31 19.856 33.441 22.505 220 HE2 TYR 31 HE2 TYR 31 15.788 34.550 23.419 221 HH TYR 31 HH TYR 31 16.539 33.205 21.482 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 33.231 18.685 24.560 2 H2 GLY 1 H2 GLY 1 33.160 19.638 23.224 3 H3 GLY 1 H3 GLY 1 32.561 18.113 23.158 4 HA2 GLY 1 HA2 GLY 1 30.813 18.633 24.686 5 HA3 GLY 1 HA3 GLY 1 31.479 20.274 24.841 6 H MET 2 H MET 2 28.810 19.475 23.947 7 HA MET 2 HA MET 2 28.699 19.970 21.040 8 HB2 MET 2 HB2 MET 2 26.565 19.512 23.169 9 HB3 MET 2 HB3 MET 2 26.206 19.925 21.481 10 HG2 MET 2 HG2 MET 2 27.575 17.965 20.749 11 HG3 MET 2 HG3 MET 2 27.723 17.473 22.432 12 HE1 MET 2 HE1 MET 2 26.559 15.986 19.721 13 HE2 MET 2 HE2 MET 2 26.828 15.123 21.252 14 HE3 MET 2 HE3 MET 2 25.263 14.999 20.430 15 H ALA 3 H ALA 3 28.536 21.903 20.134 16 HA ALA 3 HA ALA 3 28.742 24.277 21.774 17 HB1 ALA 3 HB1 ALA 3 28.597 23.857 18.758 18 HB2 ALA 3 HB2 ALA 3 29.068 25.361 19.577 19 HB3 ALA 3 HB3 ALA 3 30.078 23.913 19.749 20 H CYS 4 H CYS 4 26.042 22.880 19.891 21 HA CYS 4 HA CYS 4 24.310 25.199 20.578 22 HB2 CYS 4 HB2 CYS 4 25.006 24.182 17.798 23 HB3 CYS 4 HB3 CYS 4 23.742 25.353 18.125 24 H GLN 5 H GLN 5 24.003 22.358 21.521 25 HA GLN 5 HA GLN 5 22.293 20.877 19.904 26 HB2 GLN 5 HB2 GLN 5 23.501 20.535 22.344 27 HB3 GLN 5 HB3 GLN 5 21.821 20.616 22.843 28 HG2 GLN 5 HG2 GLN 5 22.994 18.801 20.693 29 HG3 GLN 5 HG3 GLN 5 22.724 18.321 22.363 30 HE21 GLN 5 HE21 GLN 5 19.846 17.138 20.244 31 HE22 GLN 5 HE22 GLN 5 21.587 16.979 20.051 32 H PHE 6 H PHE 6 20.231 21.065 19.218 33 HA PHE 6 HA PHE 6 18.809 23.437 19.930 34 HB2 PHE 6 HB2 PHE 6 19.009 22.390 17.656 35 HB3 PHE 6 HB3 PHE 6 17.868 21.167 18.167 36 HD1 PHE 6 HD1 PHE 6 15.457 21.834 18.703 37 HD2 PHE 6 HD2 PHE 6 18.291 24.529 16.891 38 HE1 PHE 6 HE1 PHE 6 13.604 23.359 18.035 39 HE2 PHE 6 HE2 PHE 6 16.436 26.006 16.179 40 HZ PHE 6 HZ PHE 6 14.090 25.442 16.783 41 H TRP 7 H TRP 7 18.429 20.212 21.160 42 HA TRP 7 HA TRP 7 15.807 20.958 22.431 43 HB2 TRP 7 HB2 TRP 7 17.075 18.218 22.047 44 HB3 TRP 7 HB3 TRP 7 15.550 18.556 22.842 45 HD1 TRP 7 HD1 TRP 7 13.445 18.740 21.384 46 HE1 TRP 7 HE1 TRP 7 12.906 18.595 18.898 47 HE3 TRP 7 HE3 TRP 7 18.227 18.722 19.536 48 HZ2 TRP 7 HZ2 TRP 7 14.370 18.519 16.404 49 HZ3 TRP 7 HZ3 TRP 7 18.610 18.735 17.097 50 HH2 TRP 7 HH2 TRP 7 16.699 18.626 15.507 51 H SER 8 H SER 8 18.793 19.195 23.186 52 HA SER 8 HA SER 8 18.286 18.798 25.961 53 HB2 SER 8 HB2 SER 8 19.663 17.329 24.547 54 HB3 SER 8 HB3 SER 8 20.829 18.635 24.295 55 HG SER 8 HG SER 8 20.268 17.147 26.637 56 H CYS 9 H CYS 9 20.101 21.328 24.284 57 HA CYS 9 HA CYS 9 21.191 22.457 26.789 58 HB2 CYS 9 HB2 CYS 9 22.493 22.796 24.768 59 HB3 CYS 9 HB3 CYS 9 21.096 23.512 23.958 60 H ASN 10 H ASN 10 18.420 23.145 24.480 61 HA ASN 10 HA ASN 10 17.719 25.556 25.862 62 HB2 ASN 10 HB2 ASN 10 16.759 25.710 23.871 63 HB3 ASN 10 HB3 ASN 10 16.934 24.016 23.513 64 HD21 ASN 10 HD21 ASN 10 13.717 23.095 24.550 65 HD22 ASN 10 HD22 ASN 10 15.360 22.518 24.318 66 H SER 11 H SER 11 16.676 22.174 26.260 67 HA SER 11 HA SER 11 14.679 22.704 28.259 68 HB2 SER 11 HB2 SER 11 14.663 20.333 28.600 69 HB3 SER 11 HB3 SER 11 14.823 20.686 26.865 70 HG SER 11 HG SER 11 16.792 19.714 28.656 71 H SER 12 H SER 12 18.171 21.985 28.534 72 HA SER 12 HA SER 12 18.312 22.089 31.395 73 HB2 SER 12 HB2 SER 12 20.136 21.176 30.146 74 HB3 SER 12 HB3 SER 12 20.325 22.662 29.205 75 HG SER 12 HG SER 12 20.912 22.216 31.945 76 H CYS 13 H CYS 13 18.718 24.706 28.960 77 HA CYS 13 HA CYS 13 19.086 26.830 30.813 78 HB2 CYS 13 HB2 CYS 13 17.859 26.866 28.037 79 HB3 CYS 13 HB3 CYS 13 18.399 28.284 28.912 80 H ILE 14 H ILE 14 15.995 25.557 29.407 81 HA ILE 14 HA ILE 14 14.189 27.291 30.791 82 HB ILE 14 HB ILE 14 13.933 24.413 29.835 83 HG12 ILE 14 HG12 ILE 14 12.623 26.910 28.706 84 HG13 ILE 14 HG13 ILE 14 14.198 26.385 28.171 85 HG21 ILE 14 HG21 ILE 14 11.739 26.215 30.953 86 HG22 ILE 14 HG22 ILE 14 11.459 24.683 30.104 87 HG23 ILE 14 HG23 ILE 14 12.295 24.676 31.642 88 HD11 ILE 14 HD11 ILE 14 12.549 25.582 26.610 89 HD12 ILE 14 HD12 ILE 14 13.285 24.207 27.428 90 HD13 ILE 14 HD13 ILE 14 11.652 24.744 27.886 91 H SER 15 H SER 15 15.484 24.074 31.822 92 HA SER 15 HA SER 15 14.224 23.986 34.341 93 HB2 SER 15 HB2 SER 15 15.309 22.068 33.284 94 HB3 SER 15 HB3 SER 15 16.893 22.850 33.417 95 HG SER 15 HG SER 15 15.260 21.724 35.393 96 H ARG 16 H ARG 16 17.390 25.419 33.512 97 HA ARG 16 HA ARG 16 17.940 26.276 36.261 98 HB2 ARG 16 HB2 ARG 16 19.380 26.461 33.615 99 HB3 ARG 16 HB3 ARG 16 19.799 27.568 34.913 100 HG2 ARG 16 HG2 ARG 16 21.306 25.813 35.076 101 HG3 ARG 16 HG3 ARG 16 20.230 25.706 36.455 102 HD2 ARG 16 HD2 ARG 16 19.931 23.966 33.976 103 HD3 ARG 16 HD3 ARG 16 20.982 23.538 35.315 104 HE ARG 16 HE ARG 16 18.114 23.248 35.231 105 HH11 ARG 16 HH11 ARG 16 20.742 23.621 37.632 106 HH12 ARG 16 HH12 ARG 16 19.789 22.659 38.760 107 HH21 ARG 16 HH21 ARG 16 17.114 22.166 36.800 108 HH22 ARG 16 HH22 ARG 16 17.903 21.969 38.368 109 H GLY 17 H GLY 17 16.145 27.756 33.718 110 HA2 GLY 17 HA2 GLY 17 14.500 29.340 34.567 111 HA3 GLY 17 HA3 GLY 17 15.729 30.079 35.576 112 H TYR 18 H TYR 18 16.738 29.400 32.340 113 HA TYR 18 HA TYR 18 17.044 32.267 31.792 114 HB2 TYR 18 HB2 TYR 18 17.989 29.750 30.416 115 HB3 TYR 18 HB3 TYR 18 18.350 31.357 29.836 116 HD1 TYR 18 HD1 TYR 18 18.961 28.951 32.635 117 HD2 TYR 18 HD2 TYR 18 20.022 32.729 30.833 118 HE1 TYR 18 HE1 TYR 18 21.139 28.978 33.896 119 HE2 TYR 18 HE2 TYR 18 22.148 32.760 32.121 120 HH TYR 18 HH TYR 18 23.500 31.638 33.539 121 H ARG 19 H ARG 19 16.613 33.153 29.638 122 HA ARG 19 HA ARG 19 13.800 32.708 28.831 123 HB2 ARG 19 HB2 ARG 19 15.939 34.727 27.999 124 HB3 ARG 19 HB3 ARG 19 14.345 34.646 27.300 125 HG2 ARG 19 HG2 ARG 19 14.474 36.438 28.910 126 HG3 ARG 19 HG3 ARG 19 13.278 35.233 29.377 127 HD2 ARG 19 HD2 ARG 19 14.587 36.171 31.273 128 HD3 ARG 19 HD3 ARG 19 14.635 34.414 31.153 129 HE ARG 19 HE ARG 19 16.920 35.542 29.783 130 HH11 ARG 19 HH11 ARG 19 15.789 34.879 33.068 131 HH12 ARG 19 HH12 ARG 19 17.424 34.577 33.618 132 HH21 ARG 19 HH21 ARG 19 18.874 35.309 30.608 133 HH22 ARG 19 HH22 ARG 19 19.101 34.884 32.330 134 H GLN 20 H GLN 20 17.066 32.435 27.414 135 HA GLN 20 HA GLN 20 15.942 30.627 25.327 136 HB2 GLN 20 HB2 GLN 20 17.578 33.114 24.857 137 HB3 GLN 20 HB3 GLN 20 17.663 31.763 23.730 138 HG2 GLN 20 HG2 GLN 20 15.095 33.130 24.567 139 HG3 GLN 20 HG3 GLN 20 15.982 33.470 23.073 140 HE21 GLN 20 HE21 GLN 20 13.184 30.788 22.714 141 HE22 GLN 20 HE22 GLN 20 13.169 32.281 23.650 142 H GLY 21 H GLY 21 17.102 28.896 24.861 143 HA2 GLY 21 HA2 GLY 21 19.909 28.598 25.830 144 HA3 GLY 21 HA3 GLY 21 18.812 27.279 25.398 145 H LYS 22 H LYS 22 19.639 30.280 23.633 146 HA LYS 22 HA LYS 22 20.584 28.717 21.276 147 HB2 LYS 22 HB2 LYS 22 20.284 31.696 21.734 148 HB3 LYS 22 HB3 LYS 22 20.814 30.978 20.239 149 HG2 LYS 22 HG2 LYS 22 18.049 30.520 21.461 150 HG3 LYS 22 HG3 LYS 22 18.440 31.814 20.343 151 HD2 LYS 22 HD2 LYS 22 17.480 30.210 18.978 152 HD3 LYS 22 HD3 LYS 22 19.207 30.029 18.680 153 HE2 LYS 22 HE2 LYS 22 19.212 28.098 20.312 154 HE3 LYS 22 HE3 LYS 22 17.465 28.303 20.511 155 HZ1 LYS 22 HZ1 LYS 22 18.899 27.577 18.015 156 HZ2 LYS 22 HZ2 LYS 22 17.895 26.604 18.922 157 HZ3 LYS 22 HZ3 LYS 22 17.282 27.881 18.095 158 H CYS 23 H CYS 23 22.569 28.850 20.410 159 HA CYS 23 HA CYS 23 24.795 29.445 22.299 160 HB2 CYS 23 HB2 CYS 23 26.132 28.116 20.816 161 HB3 CYS 23 HB3 CYS 23 24.637 27.253 21.099 162 H TRP 24 H TRP 24 26.816 30.306 21.145 163 HA TRP 24 HA TRP 24 26.203 32.422 19.102 164 HB2 TRP 24 HB2 TRP 24 28.331 32.547 21.262 165 HB3 TRP 24 HB3 TRP 24 27.928 33.793 20.082 166 HD1 TRP 24 HD1 TRP 24 26.925 32.414 23.396 167 HE1 TRP 24 HE1 TRP 24 24.940 33.720 24.424 168 HE3 TRP 24 HE3 TRP 24 25.673 35.270 19.349 169 HZ2 TRP 24 HZ2 TRP 24 23.121 35.783 23.599 170 HZ3 TRP 24 HZ3 TRP 24 23.805 36.902 19.493 171 HH2 TRP 24 HH2 TRP 24 22.524 37.170 21.609 172 H GLY 25 H GLY 25 26.596 29.872 18.287 173 HA2 GLY 25 HA2 GLY 25 27.742 28.615 16.755 174 HA3 GLY 25 HA3 GLY 25 28.958 29.891 16.638 175 H LYS 26 H LYS 26 29.764 29.884 19.390 176 HA LYS 26 HA LYS 26 31.576 27.584 19.372 177 HB2 LYS 26 HB2 LYS 26 32.809 28.851 21.070 178 HB3 LYS 26 HB3 LYS 26 32.542 29.705 19.547 179 HG2 LYS 26 HG2 LYS 26 30.732 31.058 20.621 180 HG3 LYS 26 HG3 LYS 26 30.953 30.173 22.122 181 HD2 LYS 26 HD2 LYS 26 32.079 32.275 22.314 182 HD3 LYS 26 HD3 LYS 26 33.302 30.982 22.248 183 HE2 LYS 26 HE2 LYS 26 33.418 31.485 19.701 184 HE3 LYS 26 HE3 LYS 26 32.476 32.930 20.047 185 HZ1 LYS 26 HZ1 LYS 26 35.149 32.221 21.107 186 HZ2 LYS 26 HZ2 LYS 26 34.818 33.459 20.115 187 HZ3 LYS 26 HZ3 LYS 26 34.294 33.515 21.677 188 H TYR 27 H TYR 27 29.198 28.831 21.741 189 HA TYR 27 HA TYR 27 29.152 26.226 23.144 190 HB2 TYR 27 HB2 TYR 27 29.866 28.895 24.429 191 HB3 TYR 27 HB3 TYR 27 29.369 27.476 25.332 192 HD1 TYR 27 HD1 TYR 27 30.762 25.371 25.207 193 HD2 TYR 27 HD2 TYR 27 32.159 29.222 23.881 194 HE1 TYR 27 HE1 TYR 27 33.127 24.590 25.417 195 HE2 TYR 27 HE2 TYR 27 34.500 28.456 24.075 196 HH TYR 27 HH TYR 27 35.884 26.716 24.495 197 H CYS 28 H CYS 28 27.294 25.942 24.430 198 HA CYS 28 HA CYS 28 25.035 27.551 23.466 199 HB2 CYS 28 HB2 CYS 28 25.148 25.058 23.366 200 HB3 CYS 28 HB3 CYS 28 24.840 25.049 25.114 201 H GLN 29 H GLN 29 25.915 29.367 24.633 202 HA GLN 29 HA GLN 29 25.833 29.511 27.525 203 HB2 GLN 29 HB2 GLN 29 26.184 31.591 25.346 204 HB3 GLN 29 HB3 GLN 29 26.508 31.865 27.046 205 HG2 GLN 29 HG2 GLN 29 28.426 30.480 27.042 206 HG3 GLN 29 HG3 GLN 29 27.985 29.705 25.518 207 HE21 GLN 29 HE21 GLN 29 29.306 33.618 25.223 208 HE22 GLN 29 HE22 GLN 29 28.671 33.044 26.754 209 H CYS 30 H CYS 30 23.627 29.189 28.223 210 HA CYS 30 HA CYS 30 21.320 30.263 27.169 211 HB2 CYS 30 HB2 CYS 30 21.805 30.076 30.142 212 HB3 CYS 30 HB3 CYS 30 20.283 29.879 29.289 213 H TYR 31 H TYR 31 20.046 32.171 27.410 214 HA TYR 31 HA TYR 31 20.983 34.350 29.161 215 HB2 TYR 31 HB2 TYR 31 21.026 35.984 27.381 216 HB3 TYR 31 HB3 TYR 31 22.214 34.726 27.174 217 HD1 TYR 31 HD1 TYR 31 19.217 36.296 25.734 218 HD2 TYR 31 HD2 TYR 31 22.112 33.129 25.309 219 HE1 TYR 31 HE1 TYR 31 18.724 36.155 23.289 220 HE2 TYR 31 HE2 TYR 31 21.667 33.023 22.893 221 HH TYR 31 HH TYR 31 20.705 34.116 21.131 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 32.181 22.011 11.437 2 H2 GLY 1 H2 GLY 1 31.377 22.791 12.637 3 H3 GLY 1 H3 GLY 1 30.711 22.698 11.134 4 HA2 GLY 1 HA2 GLY 1 30.480 20.304 11.355 5 HA3 GLY 1 HA3 GLY 1 31.233 20.447 12.949 6 H MET 2 H MET 2 29.139 19.278 13.410 7 HA MET 2 HA MET 2 27.327 21.311 14.625 8 HB2 MET 2 HB2 MET 2 26.397 18.741 13.278 9 HB3 MET 2 HB3 MET 2 25.397 19.803 14.276 10 HG2 MET 2 HG2 MET 2 25.811 21.664 12.659 11 HG3 MET 2 HG3 MET 2 26.708 20.535 11.635 12 HE1 MET 2 HE1 MET 2 23.507 21.071 9.513 13 HE2 MET 2 HE2 MET 2 24.455 22.241 10.449 14 HE3 MET 2 HE3 MET 2 25.282 20.981 9.507 15 H ALA 3 H ALA 3 27.136 21.022 16.753 16 HA ALA 3 HA ALA 3 27.726 18.410 18.053 17 HB1 ALA 3 HB1 ALA 3 29.919 19.450 17.579 18 HB2 ALA 3 HB2 ALA 3 29.405 20.944 18.393 19 HB3 ALA 3 HB3 ALA 3 29.607 19.444 19.319 20 H CYS 4 H CYS 4 26.103 21.451 18.188 21 HA CYS 4 HA CYS 4 25.311 21.064 21.045 22 HB2 CYS 4 HB2 CYS 4 27.205 22.640 20.857 23 HB3 CYS 4 HB3 CYS 4 26.284 23.601 19.709 24 H GLN 5 H GLN 5 23.403 20.146 20.127 25 HA GLN 5 HA GLN 5 21.718 21.656 18.354 26 HB2 GLN 5 HB2 GLN 5 20.212 19.833 18.466 27 HB3 GLN 5 HB3 GLN 5 21.831 19.224 18.245 28 HG2 GLN 5 HG2 GLN 5 20.516 19.259 21.004 29 HG3 GLN 5 HG3 GLN 5 20.186 18.011 19.829 30 HE21 GLN 5 HE21 GLN 5 22.818 16.277 21.491 31 HE22 GLN 5 HE22 GLN 5 21.072 16.358 21.263 32 H PHE 6 H PHE 6 19.807 22.678 18.683 33 HA PHE 6 HA PHE 6 19.642 24.324 20.895 34 HB2 PHE 6 HB2 PHE 6 18.764 24.760 18.645 35 HB3 PHE 6 HB3 PHE 6 17.503 23.560 18.875 36 HD1 PHE 6 HD1 PHE 6 18.830 26.706 20.497 37 HD2 PHE 6 HD2 PHE 6 15.374 24.328 19.481 38 HE1 PHE 6 HE1 PHE 6 17.330 28.515 21.307 39 HE2 PHE 6 HE2 PHE 6 13.894 26.143 20.264 40 HZ PHE 6 HZ PHE 6 14.868 28.255 21.171 41 H TRP 7 H TRP 7 17.643 21.411 20.369 42 HA TRP 7 HA TRP 7 15.820 21.743 22.452 43 HB2 TRP 7 HB2 TRP 7 16.873 19.184 21.205 44 HB3 TRP 7 HB3 TRP 7 15.384 19.335 22.125 45 HD1 TRP 7 HD1 TRP 7 13.272 20.036 20.886 46 HE1 TRP 7 HE1 TRP 7 12.657 20.632 18.459 47 HE3 TRP 7 HE3 TRP 7 17.982 20.394 18.881 48 HZ2 TRP 7 HZ2 TRP 7 14.024 21.559 16.098 49 HZ3 TRP 7 HZ3 TRP 7 18.295 21.303 16.595 50 HH2 TRP 7 HH2 TRP 7 16.332 21.907 15.200 51 H SER 8 H SER 8 19.034 20.126 22.688 52 HA SER 8 HA SER 8 18.566 19.232 25.434 53 HB2 SER 8 HB2 SER 8 20.918 18.560 25.360 54 HB3 SER 8 HB3 SER 8 20.026 17.953 23.951 55 HG SER 8 HG SER 8 22.202 19.059 23.718 56 H CYS 9 H CYS 9 20.257 21.920 23.852 57 HA CYS 9 HA CYS 9 21.311 23.202 26.178 58 HB2 CYS 9 HB2 CYS 9 22.101 23.731 23.984 59 HB3 CYS 9 HB3 CYS 9 20.495 24.166 23.422 60 H ASN 10 H ASN 10 18.112 23.657 24.499 61 HA ASN 10 HA ASN 10 16.895 25.503 26.228 62 HB2 ASN 10 HB2 ASN 10 16.102 23.250 24.357 63 HB3 ASN 10 HB3 ASN 10 14.915 23.892 25.425 64 HD21 ASN 10 HD21 ASN 10 16.006 26.963 23.100 65 HD22 ASN 10 HD22 ASN 10 17.025 26.467 24.440 66 H SER 11 H SER 11 16.804 21.885 26.414 67 HA SER 11 HA SER 11 15.120 21.936 28.690 68 HB2 SER 11 HB2 SER 11 16.965 19.697 27.791 69 HB3 SER 11 HB3 SER 11 15.578 19.558 28.901 70 HG SER 11 HG SER 11 15.650 19.945 26.139 71 H SER 12 H SER 12 18.635 22.058 28.498 72 HA SER 12 HA SER 12 19.059 21.811 31.383 73 HB2 SER 12 HB2 SER 12 20.845 21.325 29.691 74 HB3 SER 12 HB3 SER 12 20.931 23.065 29.348 75 HG SER 12 HG SER 12 22.446 22.653 30.948 76 H CYS 13 H CYS 13 19.136 24.667 29.158 77 HA CYS 13 HA CYS 13 19.472 26.554 31.262 78 HB2 CYS 13 HB2 CYS 13 18.519 26.766 28.396 79 HB3 CYS 13 HB3 CYS 13 18.614 28.173 29.442 80 H ILE 14 H ILE 14 16.436 25.369 29.788 81 HA ILE 14 HA ILE 14 14.707 27.093 31.352 82 HB ILE 14 HB ILE 14 14.205 24.567 29.746 83 HG12 ILE 14 HG12 ILE 14 13.541 27.477 29.070 84 HG13 ILE 14 HG13 ILE 14 15.039 26.719 28.564 85 HG21 ILE 14 HG21 ILE 14 12.177 26.474 30.983 86 HG22 ILE 14 HG22 ILE 14 11.792 25.230 29.772 87 HG23 ILE 14 HG23 ILE 14 12.390 24.744 31.346 88 HD11 ILE 14 HD11 ILE 14 12.264 25.912 27.689 89 HD12 ILE 14 HD12 ILE 14 13.578 26.591 26.711 90 HD13 ILE 14 HD13 ILE 14 13.728 24.952 27.362 91 H SER 15 H SER 15 16.416 24.116 32.113 92 HA SER 15 HA SER 15 14.828 23.616 34.525 93 HB2 SER 15 HB2 SER 15 17.554 22.543 33.754 94 HB3 SER 15 HB3 SER 15 16.606 22.080 35.172 95 HG SER 15 HG SER 15 16.125 21.586 32.440 96 H ARG 16 H ARG 16 17.944 25.188 33.725 97 HA ARG 16 HA ARG 16 18.590 26.007 36.409 98 HB2 ARG 16 HB2 ARG 16 19.429 27.169 33.720 99 HB3 ARG 16 HB3 ARG 16 20.140 27.591 35.260 100 HG2 ARG 16 HG2 ARG 16 20.337 24.913 33.841 101 HG3 ARG 16 HG3 ARG 16 21.593 26.096 34.137 102 HD2 ARG 16 HD2 ARG 16 22.103 24.531 35.726 103 HD3 ARG 16 HD3 ARG 16 21.138 25.657 36.666 104 HE ARG 16 HE ARG 16 20.100 23.076 35.478 105 HH11 ARG 16 HH11 ARG 16 20.112 25.226 38.315 106 HH12 ARG 16 HH12 ARG 16 19.191 24.059 39.224 107 HH21 ARG 16 HH21 ARG 16 18.971 21.769 36.673 108 HH22 ARG 16 HH22 ARG 16 18.412 22.225 38.285 109 H GLY 17 H GLY 17 16.990 27.869 33.813 110 HA2 GLY 17 HA2 GLY 17 14.935 28.936 35.187 111 HA3 GLY 17 HA3 GLY 17 16.227 29.970 35.777 112 H TYR 18 H TYR 18 16.921 29.312 32.553 113 HA TYR 18 HA TYR 18 16.730 32.077 31.970 114 HB2 TYR 18 HB2 TYR 18 17.449 29.648 30.361 115 HB3 TYR 18 HB3 TYR 18 17.511 31.263 29.683 116 HD1 TYR 18 HD1 TYR 18 19.304 28.917 31.882 117 HD2 TYR 18 HD2 TYR 18 18.905 33.034 30.720 118 HE1 TYR 18 HE1 TYR 18 21.678 29.349 32.548 119 HE2 TYR 18 HE2 TYR 18 21.255 33.467 31.388 120 HH TYR 18 HH TYR 18 23.305 31.143 32.961 121 H ARG 19 H ARG 19 15.900 33.123 30.082 122 HA ARG 19 HA ARG 19 13.037 32.462 29.555 123 HB2 ARG 19 HB2 ARG 19 14.559 34.977 28.772 124 HB3 ARG 19 HB3 ARG 19 12.831 34.668 28.717 125 HG2 ARG 19 HG2 ARG 19 12.935 36.060 30.449 126 HG3 ARG 19 HG3 ARG 19 12.890 34.500 31.264 127 HD2 ARG 19 HD2 ARG 19 15.610 35.541 30.589 128 HD3 ARG 19 HD3 ARG 19 14.699 36.554 31.713 129 HE ARG 19 HE ARG 19 14.320 34.125 32.798 130 HH11 ARG 19 HH11 ARG 19 17.398 35.282 31.503 131 HH12 ARG 19 HH12 ARG 19 18.260 34.807 32.959 132 HH21 ARG 19 HH21 ARG 19 15.599 33.497 34.611 133 HH22 ARG 19 HH22 ARG 19 17.330 33.441 34.357 134 H GLN 20 H GLN 20 16.175 32.782 27.967 135 HA GLN 20 HA GLN 20 15.143 31.697 25.395 136 HB2 GLN 20 HB2 GLN 20 14.863 34.071 25.178 137 HB3 GLN 20 HB3 GLN 20 16.472 34.405 25.836 138 HG2 GLN 20 HG2 GLN 20 17.548 33.483 23.831 139 HG3 GLN 20 HG3 GLN 20 15.988 32.954 23.211 140 HE21 GLN 20 HE21 GLN 20 15.428 36.770 22.772 141 HE22 GLN 20 HE22 GLN 20 14.653 35.709 23.956 142 H GLY 21 H GLY 21 16.918 30.992 23.928 143 HA2 GLY 21 HA2 GLY 21 19.671 31.267 24.848 144 HA3 GLY 21 HA3 GLY 21 19.106 29.602 24.843 145 H LYS 22 H LYS 22 21.239 30.378 23.441 146 HA LYS 22 HA LYS 22 20.564 29.357 20.781 147 HB2 LYS 22 HB2 LYS 22 20.549 32.038 20.781 148 HB3 LYS 22 HB3 LYS 22 22.284 31.855 20.890 149 HG2 LYS 22 HG2 LYS 22 22.099 32.004 18.637 150 HG3 LYS 22 HG3 LYS 22 21.913 30.263 18.737 151 HD2 LYS 22 HD2 LYS 22 19.630 32.294 18.624 152 HD3 LYS 22 HD3 LYS 22 20.280 31.431 17.227 153 HE2 LYS 22 HE2 LYS 22 19.564 29.288 18.114 154 HE3 LYS 22 HE3 LYS 22 19.036 30.037 19.634 155 HZ1 LYS 22 HZ1 LYS 22 17.869 30.729 17.000 156 HZ2 LYS 22 HZ2 LYS 22 17.219 29.611 18.002 157 HZ3 LYS 22 HZ3 LYS 22 17.322 31.186 18.484 158 H CYS 23 H CYS 23 22.406 28.384 19.738 159 HA CYS 23 HA CYS 23 24.999 28.544 21.196 160 HB2 CYS 23 HB2 CYS 23 23.703 26.489 21.892 161 HB3 CYS 23 HB3 CYS 23 23.827 25.920 20.229 162 H TRP 24 H TRP 24 26.827 28.412 19.916 163 HA TRP 24 HA TRP 24 26.441 28.169 16.972 164 HB2 TRP 24 HB2 TRP 24 28.307 30.054 18.457 165 HB3 TRP 24 HB3 TRP 24 28.106 29.925 16.705 166 HD1 TRP 24 HD1 TRP 24 26.666 31.611 19.723 167 HE1 TRP 24 HE1 TRP 24 24.824 33.265 18.998 168 HE3 TRP 24 HE3 TRP 24 26.034 30.083 14.867 169 HZ2 TRP 24 HZ2 TRP 24 23.129 33.680 16.710 170 HZ3 TRP 24 HZ3 TRP 24 24.248 31.083 13.459 171 HH2 TRP 24 HH2 TRP 24 22.779 32.866 14.373 172 H GLY 25 H GLY 25 26.872 25.926 18.290 173 HA2 GLY 25 HA2 GLY 25 28.241 24.078 18.460 174 HA3 GLY 25 HA3 GLY 25 29.508 24.947 17.596 175 H LYS 26 H LYS 26 29.929 27.120 19.311 176 HA LYS 26 HA LYS 26 31.891 25.963 20.980 177 HB2 LYS 26 HB2 LYS 26 30.796 28.809 20.947 178 HB3 LYS 26 HB3 LYS 26 32.245 28.281 21.811 179 HG2 LYS 26 HG2 LYS 26 33.327 27.635 19.688 180 HG3 LYS 26 HG3 LYS 26 31.869 28.072 18.790 181 HD2 LYS 26 HD2 LYS 26 33.474 29.869 18.579 182 HD3 LYS 26 HD3 LYS 26 32.087 30.416 19.541 183 HE2 LYS 26 HE2 LYS 26 33.405 29.987 21.630 184 HE3 LYS 26 HE3 LYS 26 34.789 29.490 20.653 185 HZ1 LYS 26 HZ1 LYS 26 34.848 31.807 21.453 186 HZ2 LYS 26 HZ2 LYS 26 35.005 31.699 19.827 187 HZ3 LYS 26 HZ3 LYS 26 33.569 32.194 20.494 188 H TYR 27 H TYR 27 28.788 27.518 22.081 189 HA TYR 27 HA TYR 27 28.671 25.792 24.388 190 HB2 TYR 27 HB2 TYR 27 30.431 27.085 25.337 191 HB3 TYR 27 HB3 TYR 27 29.765 28.587 24.773 192 HD1 TYR 27 HD1 TYR 27 28.157 29.802 26.042 193 HD2 TYR 27 HD2 TYR 27 29.401 25.872 27.297 194 HE1 TYR 27 HE1 TYR 27 27.195 30.226 28.297 195 HE2 TYR 27 HE2 TYR 27 28.425 26.301 29.560 196 HH TYR 27 HH TYR 27 27.025 29.474 30.421 197 H CYS 28 H CYS 28 26.708 25.819 25.301 198 HA CYS 28 HA CYS 28 24.458 27.090 24.113 199 HB2 CYS 28 HB2 CYS 28 24.419 24.898 25.130 200 HB3 CYS 28 HB3 CYS 28 24.940 25.560 26.681 201 H GLN 29 H GLN 29 25.191 29.321 24.143 202 HA GLN 29 HA GLN 29 25.094 30.969 26.522 203 HB2 GLN 29 HB2 GLN 29 24.580 31.591 23.574 204 HB3 GLN 29 HB3 GLN 29 24.630 32.813 24.837 205 HG2 GLN 29 HG2 GLN 29 26.937 30.941 24.159 206 HG3 GLN 29 HG3 GLN 29 26.731 32.559 23.494 207 HE21 GLN 29 HE21 GLN 29 29.123 32.866 26.294 208 HE22 GLN 29 HE22 GLN 29 29.038 31.921 24.793 209 H CYS 30 H CYS 30 23.399 31.429 27.816 210 HA CYS 30 HA CYS 30 20.657 31.526 26.617 211 HB2 CYS 30 HB2 CYS 30 21.511 30.295 29.235 212 HB3 CYS 30 HB3 CYS 30 19.836 30.561 28.733 213 H TYR 31 H TYR 31 19.070 32.804 27.736 214 HA TYR 31 HA TYR 31 20.188 35.239 29.021 215 HB2 TYR 31 HB2 TYR 31 18.421 35.389 26.573 216 HB3 TYR 31 HB3 TYR 31 19.294 36.688 27.356 217 HD1 TYR 31 HD1 TYR 31 21.694 37.049 26.886 218 HD2 TYR 31 HD2 TYR 31 19.550 33.763 25.130 219 HE1 TYR 31 HE1 TYR 31 23.532 36.733 25.219 220 HE2 TYR 31 HE2 TYR 31 21.399 33.422 23.495 221 HH TYR 31 HH TYR 31 24.357 35.386 23.506 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 24.965 19.015 9.650 2 H2 GLY 1 H2 GLY 1 23.937 17.853 9.104 3 H3 GLY 1 H3 GLY 1 24.346 17.900 10.694 4 HA2 GLY 1 HA2 GLY 1 22.808 19.963 9.242 5 HA3 GLY 1 HA3 GLY 1 22.124 18.782 10.376 6 H MET 2 H MET 2 21.599 19.836 12.224 7 HA MET 2 HA MET 2 23.057 22.115 13.286 8 HB2 MET 2 HB2 MET 2 20.638 21.803 13.610 9 HB3 MET 2 HB3 MET 2 20.927 20.281 14.468 10 HG2 MET 2 HG2 MET 2 22.198 21.522 16.194 11 HG3 MET 2 HG3 MET 2 21.842 23.036 15.362 12 HE1 MET 2 HE1 MET 2 18.733 22.778 14.556 13 HE2 MET 2 HE2 MET 2 18.004 23.490 16.007 14 HE3 MET 2 HE3 MET 2 19.482 24.198 15.326 15 H ALA 3 H ALA 3 24.687 22.114 14.760 16 HA ALA 3 HA ALA 3 25.671 19.503 15.851 17 HB1 ALA 3 HB1 ALA 3 27.102 20.498 14.098 18 HB2 ALA 3 HB2 ALA 3 27.247 21.982 15.065 19 HB3 ALA 3 HB3 ALA 3 27.914 20.453 15.674 20 H CYS 4 H CYS 4 24.185 22.336 16.807 21 HA CYS 4 HA CYS 4 25.106 22.087 19.644 22 HB2 CYS 4 HB2 CYS 4 26.048 24.063 18.547 23 HB3 CYS 4 HB3 CYS 4 24.458 24.535 17.968 24 H GLN 5 H GLN 5 23.449 20.718 20.261 25 HA GLN 5 HA GLN 5 20.920 20.568 19.031 26 HB2 GLN 5 HB2 GLN 5 21.835 19.437 21.701 27 HB3 GLN 5 HB3 GLN 5 20.342 19.010 20.857 28 HG2 GLN 5 HG2 GLN 5 21.818 18.381 18.851 29 HG3 GLN 5 HG3 GLN 5 23.201 18.496 19.935 30 HE21 GLN 5 HE21 GLN 5 22.214 14.936 19.790 31 HE22 GLN 5 HE22 GLN 5 23.123 16.141 18.888 32 H PHE 6 H PHE 6 19.568 22.209 18.976 33 HA PHE 6 HA PHE 6 19.084 24.188 20.776 34 HB2 PHE 6 HB2 PHE 6 18.281 24.241 18.501 35 HB3 PHE 6 HB3 PHE 6 17.190 22.900 18.792 36 HD1 PHE 6 HD1 PHE 6 17.835 26.481 19.573 37 HD2 PHE 6 HD2 PHE 6 14.994 23.244 19.739 38 HE1 PHE 6 HE1 PHE 6 16.059 28.071 20.260 39 HE2 PHE 6 HE2 PHE 6 13.223 24.829 20.432 40 HZ PHE 6 HZ PHE 6 13.753 27.238 20.726 41 H TRP 7 H TRP 7 17.047 21.260 20.591 42 HA TRP 7 HA TRP 7 15.263 21.969 22.702 43 HB2 TRP 7 HB2 TRP 7 14.646 19.535 22.574 44 HB3 TRP 7 HB3 TRP 7 14.649 20.362 21.025 45 HD1 TRP 7 HD1 TRP 7 16.308 17.533 22.884 46 HE1 TRP 7 HE1 TRP 7 18.041 16.353 21.409 47 HE3 TRP 7 HE3 TRP 7 16.235 20.710 18.866 48 HZ2 TRP 7 HZ2 TRP 7 19.351 16.821 18.857 49 HZ3 TRP 7 HZ3 TRP 7 17.809 20.396 16.995 50 HH2 TRP 7 HH2 TRP 7 19.351 18.442 16.952 51 H SER 8 H SER 8 18.441 20.448 22.850 52 HA SER 8 HA SER 8 18.097 19.485 25.621 53 HB2 SER 8 HB2 SER 8 19.511 18.168 24.124 54 HB3 SER 8 HB3 SER 8 20.526 19.588 23.800 55 HG SER 8 HG SER 8 20.364 17.971 26.084 56 H CYS 9 H CYS 9 19.921 22.053 23.894 57 HA CYS 9 HA CYS 9 21.053 23.252 26.229 58 HB2 CYS 9 HB2 CYS 9 21.943 23.658 24.017 59 HB3 CYS 9 HB3 CYS 9 20.421 24.374 23.477 60 H ASN 10 H ASN 10 18.015 24.266 24.357 61 HA ASN 10 HA ASN 10 17.356 26.279 26.166 62 HB2 ASN 10 HB2 ASN 10 15.852 24.584 24.122 63 HB3 ASN 10 HB3 ASN 10 15.130 25.894 25.008 64 HD21 ASN 10 HD21 ASN 10 16.260 28.079 22.545 65 HD22 ASN 10 HD22 ASN 10 14.996 27.699 23.728 66 H SER 11 H SER 11 16.408 22.784 26.222 67 HA SER 11 HA SER 11 14.644 23.021 28.484 68 HB2 SER 11 HB2 SER 11 14.638 21.069 27.031 69 HB3 SER 11 HB3 SER 11 16.316 20.703 27.475 70 HG SER 11 HG SER 11 13.938 20.438 28.964 71 H SER 12 H SER 12 18.206 22.525 28.264 72 HA SER 12 HA SER 12 18.655 22.351 31.102 73 HB2 SER 12 HB2 SER 12 20.428 21.688 29.636 74 HB3 SER 12 HB3 SER 12 20.468 23.265 28.841 75 HG SER 12 HG SER 12 21.643 24.043 30.392 76 H CYS 13 H CYS 13 18.871 25.180 28.893 77 HA CYS 13 HA CYS 13 19.369 27.148 30.827 78 HB2 CYS 13 HB2 CYS 13 17.803 27.317 28.228 79 HB3 CYS 13 HB3 CYS 13 18.354 28.710 29.131 80 H ILE 14 H ILE 14 16.106 26.087 29.650 81 HA ILE 14 HA ILE 14 14.636 27.785 31.417 82 HB ILE 14 HB ILE 14 13.947 25.259 29.899 83 HG12 ILE 14 HG12 ILE 14 13.057 28.142 29.427 84 HG13 ILE 14 HG13 ILE 14 14.532 27.510 28.724 85 HG21 ILE 14 HG21 ILE 14 12.046 27.076 31.453 86 HG22 ILE 14 HG22 ILE 14 11.547 25.804 30.318 87 HG23 ILE 14 HG23 ILE 14 12.386 25.367 31.793 88 HD11 ILE 14 HD11 ILE 14 12.802 27.373 27.087 89 HD12 ILE 14 HD12 ILE 14 13.268 25.731 27.554 90 HD13 ILE 14 HD13 ILE 14 11.752 26.443 28.161 91 H SER 15 H SER 15 15.702 24.370 31.827 92 HA SER 15 HA SER 15 14.505 24.078 34.419 93 HB2 SER 15 HB2 SER 15 16.910 22.605 33.291 94 HB3 SER 15 HB3 SER 15 15.895 22.100 34.659 95 HG SER 15 HG SER 15 15.286 22.279 31.906 96 H ARG 16 H ARG 16 17.679 25.387 33.457 97 HA ARG 16 HA ARG 16 18.652 25.804 36.181 98 HB2 ARG 16 HB2 ARG 16 19.511 26.643 33.407 99 HB3 ARG 16 HB3 ARG 16 20.061 27.583 34.777 100 HG2 ARG 16 HG2 ARG 16 21.783 26.130 34.382 101 HG3 ARG 16 HG3 ARG 16 21.015 25.506 35.823 102 HD2 ARG 16 HD2 ARG 16 20.595 24.365 33.030 103 HD3 ARG 16 HD3 ARG 16 21.861 23.829 34.128 104 HE ARG 16 HE ARG 16 19.540 23.580 35.632 105 HH11 ARG 16 HH11 ARG 16 20.836 21.999 32.764 106 HH12 ARG 16 HH12 ARG 16 19.898 20.564 33.051 107 HH21 ARG 16 HH21 ARG 16 18.499 21.800 35.958 108 HH22 ARG 16 HH22 ARG 16 18.576 20.428 34.863 109 H GLY 17 H GLY 17 16.636 27.762 34.006 110 HA2 GLY 17 HA2 GLY 17 15.043 29.094 35.505 111 HA3 GLY 17 HA3 GLY 17 16.475 29.902 36.120 112 H TYR 18 H TYR 18 16.659 29.348 32.725 113 HA TYR 18 HA TYR 18 16.204 32.228 32.146 114 HB2 TYR 18 HB2 TYR 18 17.622 30.045 30.604 115 HB3 TYR 18 HB3 TYR 18 17.553 31.729 30.129 116 HD1 TYR 18 HD1 TYR 18 19.182 33.280 30.870 117 HD2 TYR 18 HD2 TYR 18 18.896 29.426 32.787 118 HE1 TYR 18 HE1 TYR 18 21.343 33.683 32.035 119 HE2 TYR 18 HE2 TYR 18 21.025 29.857 33.973 120 HH TYR 18 HH TYR 18 22.923 32.837 33.443 121 H ARG 19 H ARG 19 15.602 32.316 29.470 122 HA ARG 19 HA ARG 19 13.135 30.627 29.102 123 HB2 ARG 19 HB2 ARG 19 13.708 33.518 28.505 124 HB3 ARG 19 HB3 ARG 19 12.686 32.624 27.393 125 HG2 ARG 19 HG2 ARG 19 11.351 33.846 29.012 126 HG3 ARG 19 HG3 ARG 19 11.054 32.118 29.066 127 HD2 ARG 19 HD2 ARG 19 11.042 33.179 31.303 128 HD3 ARG 19 HD3 ARG 19 12.250 31.897 31.153 129 HE ARG 19 HE ARG 19 13.445 34.428 30.514 130 HH11 ARG 19 HH11 ARG 19 12.252 32.900 33.481 131 HH12 ARG 19 HH12 ARG 19 13.651 33.473 34.362 132 HH21 ARG 19 HH21 ARG 19 14.971 35.182 31.696 133 HH22 ARG 19 HH22 ARG 19 15.108 34.831 33.417 134 H GLN 20 H GLN 20 16.110 31.741 27.529 135 HA GLN 20 HA GLN 20 15.567 29.829 25.291 136 HB2 GLN 20 HB2 GLN 20 14.929 32.203 24.777 137 HB3 GLN 20 HB3 GLN 20 16.616 32.667 25.055 138 HG2 GLN 20 HG2 GLN 20 17.278 31.107 23.177 139 HG3 GLN 20 HG3 GLN 20 15.560 30.834 22.864 140 HE21 GLN 20 HE21 GLN 20 15.353 34.427 21.726 141 HE22 GLN 20 HE22 GLN 20 14.502 33.491 22.957 142 H GLY 21 H GLY 21 17.341 28.945 24.219 143 HA2 GLY 21 HA2 GLY 21 20.075 29.414 25.338 144 HA3 GLY 21 HA3 GLY 21 19.530 27.858 24.714 145 H LYS 22 H LYS 22 21.679 29.894 23.823 146 HA LYS 22 HA LYS 22 21.046 29.839 20.908 147 HB2 LYS 22 HB2 LYS 22 20.418 32.105 22.065 148 HB3 LYS 22 HB3 LYS 22 22.155 32.331 22.213 149 HG2 LYS 22 HG2 LYS 22 21.968 33.339 20.211 150 HG3 LYS 22 HG3 LYS 22 22.020 31.717 19.546 151 HD2 LYS 22 HD2 LYS 22 19.557 33.389 20.173 152 HD3 LYS 22 HD3 LYS 22 20.207 33.049 18.570 153 HE2 LYS 22 HE2 LYS 22 19.619 30.669 18.792 154 HE3 LYS 22 HE3 LYS 22 19.060 30.947 20.457 155 HZ1 LYS 22 HZ1 LYS 22 17.186 30.999 18.887 156 HZ2 LYS 22 HZ2 LYS 22 17.407 32.492 19.573 157 HZ3 LYS 22 HZ3 LYS 22 17.869 32.229 18.051 158 H CYS 23 H CYS 23 22.802 29.497 19.610 159 HA CYS 23 HA CYS 23 25.347 28.757 20.925 160 HB2 CYS 23 HB2 CYS 23 24.406 28.310 18.082 161 HB3 CYS 23 HB3 CYS 23 25.749 27.500 18.898 162 H TRP 24 H TRP 24 27.386 29.445 20.049 163 HA TRP 24 HA TRP 24 27.406 32.021 18.545 164 HB2 TRP 24 HB2 TRP 24 28.382 31.675 21.400 165 HB3 TRP 24 HB3 TRP 24 28.684 33.091 20.417 166 HD1 TRP 24 HD1 TRP 24 26.191 31.668 22.738 167 HE1 TRP 24 HE1 TRP 24 24.227 33.305 23.003 168 HE3 TRP 24 HE3 TRP 24 27.116 34.729 18.744 169 HZ2 TRP 24 HZ2 TRP 24 23.061 35.500 21.538 170 HZ3 TRP 24 HZ3 TRP 24 25.533 36.565 18.169 171 HH2 TRP 24 HH2 TRP 24 23.509 36.955 19.559 172 H GLY 25 H GLY 25 28.495 29.327 17.955 173 HA2 GLY 25 HA2 GLY 25 30.426 28.289 17.272 174 HA3 GLY 25 HA3 GLY 25 31.109 29.901 17.033 175 H LYS 26 H LYS 26 30.088 28.742 20.219 176 HA LYS 26 HA LYS 26 32.684 27.738 21.058 177 HB2 LYS 26 HB2 LYS 26 33.163 29.437 22.737 178 HB3 LYS 26 HB3 LYS 26 33.187 30.073 21.109 179 HG2 LYS 26 HG2 LYS 26 30.711 30.851 21.612 180 HG3 LYS 26 HG3 LYS 26 31.176 30.604 23.306 181 HD2 LYS 26 HD2 LYS 26 32.564 32.366 21.261 182 HD3 LYS 26 HD3 LYS 26 31.534 32.927 22.593 183 HE2 LYS 26 HE2 LYS 26 33.121 31.916 24.221 184 HE3 LYS 26 HE3 LYS 26 34.161 31.389 22.873 185 HZ1 LYS 26 HZ1 LYS 26 34.625 33.667 22.358 186 HZ2 LYS 26 HZ2 LYS 26 33.466 34.220 23.394 187 HZ3 LYS 26 HZ3 LYS 26 34.832 33.548 23.983 188 H TYR 27 H TYR 27 29.502 28.959 22.358 189 HA TYR 27 HA TYR 27 29.204 26.578 24.026 190 HB2 TYR 27 HB2 TYR 27 29.434 29.424 25.119 191 HB3 TYR 27 HB3 TYR 27 28.683 28.109 25.998 192 HD1 TYR 27 HD1 TYR 27 30.317 25.848 25.942 193 HD2 TYR 27 HD2 TYR 27 31.483 29.998 26.113 194 HE1 TYR 27 HE1 TYR 27 32.420 25.213 27.117 195 HE2 TYR 27 HE2 TYR 27 33.589 29.356 27.287 196 HH TYR 27 HH TYR 27 34.648 26.082 27.371 197 H CYS 28 H CYS 28 27.030 26.251 24.545 198 HA CYS 28 HA CYS 28 25.080 28.005 23.178 199 HB2 CYS 28 HB2 CYS 28 24.941 25.517 23.014 200 HB3 CYS 28 HB3 CYS 28 24.464 25.487 24.716 201 H GLN 29 H GLN 29 25.485 29.818 24.340 202 HA GLN 29 HA GLN 29 25.114 30.137 27.183 203 HB2 GLN 29 HB2 GLN 29 24.948 32.083 24.862 204 HB3 GLN 29 HB3 GLN 29 24.831 32.583 26.541 205 HG2 GLN 29 HG2 GLN 29 27.217 31.286 25.181 206 HG3 GLN 29 HG3 GLN 29 27.091 32.939 25.793 207 HE21 GLN 29 HE21 GLN 29 27.144 31.473 29.302 208 HE22 GLN 29 HE22 GLN 29 25.984 32.467 28.438 209 H CYS 30 H CYS 30 23.455 31.096 28.387 210 HA CYS 30 HA CYS 30 20.705 30.582 27.347 211 HB2 CYS 30 HB2 CYS 30 21.732 30.624 30.195 212 HB3 CYS 30 HB3 CYS 30 20.089 30.281 29.688 213 H TYR 31 H TYR 31 19.029 32.011 27.700 214 HA TYR 31 HA TYR 31 19.611 34.751 28.734 215 HB2 TYR 31 HB2 TYR 31 18.467 34.072 26.003 216 HB3 TYR 31 HB3 TYR 31 18.686 35.689 26.668 217 HD1 TYR 31 HD1 TYR 31 20.918 36.701 26.846 218 HD2 TYR 31 HD2 TYR 31 20.352 32.753 25.201 219 HE1 TYR 31 HE1 TYR 31 23.253 36.730 25.967 220 HE2 TYR 31 HE2 TYR 31 22.691 32.760 24.377 221 HH TYR 31 HH TYR 31 24.795 35.623 24.605 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 31.585 21.757 14.013 2 H2 GLY 1 H2 GLY 1 31.302 20.404 13.099 3 H3 GLY 1 H3 GLY 1 30.733 20.499 14.638 4 HA2 GLY 1 HA2 GLY 1 29.855 22.194 12.410 5 HA3 GLY 1 HA3 GLY 1 28.970 20.810 13.072 6 H MET 2 H MET 2 27.231 21.664 14.085 7 HA MET 2 HA MET 2 27.289 24.130 15.609 8 HB2 MET 2 HB2 MET 2 25.317 23.291 14.335 9 HB3 MET 2 HB3 MET 2 25.212 21.908 15.434 10 HG2 MET 2 HG2 MET 2 25.008 23.597 17.333 11 HG3 MET 2 HG3 MET 2 24.845 24.844 16.100 12 HE1 MET 2 HE1 MET 2 22.804 25.041 14.441 13 HE2 MET 2 HE2 MET 2 22.980 23.364 13.867 14 HE3 MET 2 HE3 MET 2 21.404 23.945 14.435 15 H ALA 3 H ALA 3 28.843 23.919 17.238 16 HA ALA 3 HA ALA 3 28.956 21.596 18.958 17 HB1 ALA 3 HB1 ALA 3 30.953 22.757 18.139 18 HB2 ALA 3 HB2 ALA 3 30.505 24.196 19.085 19 HB3 ALA 3 HB3 ALA 3 30.910 22.673 19.906 20 H CYS 4 H CYS 4 26.409 23.041 19.170 21 HA CYS 4 HA CYS 4 26.200 23.076 22.016 22 HB2 CYS 4 HB2 CYS 4 24.900 25.291 21.859 23 HB3 CYS 4 HB3 CYS 4 26.658 25.255 21.976 24 H GLN 5 H GLN 5 24.458 22.130 22.589 25 HA GLN 5 HA GLN 5 22.518 21.167 20.635 26 HB2 GLN 5 HB2 GLN 5 22.477 20.793 23.653 27 HB3 GLN 5 HB3 GLN 5 21.612 19.856 22.437 28 HG2 GLN 5 HG2 GLN 5 24.582 19.885 23.038 29 HG3 GLN 5 HG3 GLN 5 23.453 18.537 23.138 30 HE21 GLN 5 HE21 GLN 5 23.499 18.037 19.526 31 HE22 GLN 5 HE22 GLN 5 22.404 17.908 20.908 32 H PHE 6 H PHE 6 21.623 23.123 19.878 33 HA PHE 6 HA PHE 6 20.607 25.211 21.383 34 HB2 PHE 6 HB2 PHE 6 21.158 25.328 19.034 35 HB3 PHE 6 HB3 PHE 6 19.827 24.284 18.626 36 HD1 PHE 6 HD1 PHE 6 20.379 27.553 20.483 37 HD2 PHE 6 HD2 PHE 6 17.916 25.313 17.749 38 HE1 PHE 6 HE1 PHE 6 19.048 29.589 20.003 39 HE2 PHE 6 HE2 PHE 6 16.548 27.332 17.318 40 HZ PHE 6 HZ PHE 6 17.132 29.482 18.429 41 H TRP 7 H TRP 7 18.990 22.162 21.068 42 HA TRP 7 HA TRP 7 16.550 23.350 22.337 43 HB2 TRP 7 HB2 TRP 7 16.821 20.708 20.910 44 HB3 TRP 7 HB3 TRP 7 15.395 21.279 21.749 45 HD1 TRP 7 HD1 TRP 7 13.720 22.654 20.404 46 HE1 TRP 7 HE1 TRP 7 13.578 23.636 18.026 47 HE3 TRP 7 HE3 TRP 7 18.537 21.781 18.884 48 HZ2 TRP 7 HZ2 TRP 7 15.368 24.070 15.807 49 HZ3 TRP 7 HZ3 TRP 7 19.329 22.598 16.698 50 HH2 TRP 7 HH2 TRP 7 17.746 23.718 15.120 51 H SER 8 H SER 8 18.704 20.415 22.540 52 HA SER 8 HA SER 8 17.535 19.601 25.008 53 HB2 SER 8 HB2 SER 8 20.292 18.786 24.042 54 HB3 SER 8 HB3 SER 8 19.189 17.884 25.098 55 HG SER 8 HG SER 8 17.693 17.980 23.224 56 H CYS 9 H CYS 9 20.540 21.497 24.460 57 HA CYS 9 HA CYS 9 21.189 21.500 27.331 58 HB2 CYS 9 HB2 CYS 9 22.991 21.645 25.797 59 HB3 CYS 9 HB3 CYS 9 22.256 22.987 24.925 60 H ASN 10 H ASN 10 19.203 23.500 25.105 61 HA ASN 10 HA ASN 10 18.920 25.709 26.955 62 HB2 ASN 10 HB2 ASN 10 18.503 26.456 24.865 63 HB3 ASN 10 HB3 ASN 10 18.104 24.876 24.229 64 HD21 ASN 10 HD21 ASN 10 14.684 25.025 24.939 65 HD22 ASN 10 HD22 ASN 10 16.013 23.985 24.552 66 H SER 11 H SER 11 17.202 22.658 26.319 67 HA SER 11 HA SER 11 14.931 23.049 27.991 68 HB2 SER 11 HB2 SER 11 15.003 21.211 26.468 69 HB3 SER 11 HB3 SER 11 16.471 20.551 27.197 70 HG SER 11 HG SER 11 15.375 19.878 28.949 71 H SER 12 H SER 12 18.214 21.906 28.773 72 HA SER 12 HA SER 12 17.785 21.538 31.607 73 HB2 SER 12 HB2 SER 12 19.664 20.513 30.541 74 HB3 SER 12 HB3 SER 12 20.254 22.063 29.932 75 HG SER 12 HG SER 12 21.398 21.357 31.672 76 H CYS 13 H CYS 13 19.033 24.333 29.713 77 HA CYS 13 HA CYS 13 19.260 26.123 31.888 78 HB2 CYS 13 HB2 CYS 13 18.637 26.694 28.963 79 HB3 CYS 13 HB3 CYS 13 19.135 27.888 30.143 80 H ILE 14 H ILE 14 16.324 25.516 29.853 81 HA ILE 14 HA ILE 14 14.585 27.290 31.280 82 HB ILE 14 HB ILE 14 14.139 24.849 29.532 83 HG12 ILE 14 HG12 ILE 14 13.550 27.801 29.031 84 HG13 ILE 14 HG13 ILE 14 15.067 27.043 28.589 85 HG21 ILE 14 HG21 ILE 14 12.177 24.933 30.991 86 HG22 ILE 14 HG22 ILE 14 11.994 26.681 30.699 87 HG23 ILE 14 HG23 ILE 14 11.726 25.500 29.403 88 HD11 ILE 14 HD11 ILE 14 12.357 26.288 27.447 89 HD12 ILE 14 HD12 ILE 14 13.667 27.148 26.640 90 HD13 ILE 14 HD13 ILE 14 13.895 25.453 27.109 91 H SER 15 H SER 15 15.526 23.908 31.950 92 HA SER 15 HA SER 15 13.651 23.437 34.064 93 HB2 SER 15 HB2 SER 15 14.999 21.683 32.947 94 HB3 SER 15 HB3 SER 15 16.452 22.325 33.727 95 HG SER 15 HG SER 15 15.732 20.662 34.916 96 H ARG 16 H ARG 16 16.967 24.820 34.148 97 HA ARG 16 HA ARG 16 16.849 25.571 36.965 98 HB2 ARG 16 HB2 ARG 16 18.731 25.831 34.678 99 HB3 ARG 16 HB3 ARG 16 18.723 27.227 35.738 100 HG2 ARG 16 HG2 ARG 16 20.441 25.567 36.359 101 HG3 ARG 16 HG3 ARG 16 19.318 25.955 37.652 102 HD2 ARG 16 HD2 ARG 16 19.860 23.591 37.664 103 HD3 ARG 16 HD3 ARG 16 18.139 23.828 37.344 104 HE ARG 16 HE ARG 16 19.767 23.577 34.917 105 HH11 ARG 16 HH11 ARG 16 18.284 21.542 37.387 106 HH12 ARG 16 HH12 ARG 16 17.960 20.286 36.220 107 HH21 ARG 16 HH21 ARG 16 19.470 21.794 33.602 108 HH22 ARG 16 HH22 ARG 16 18.514 20.446 34.224 109 H GLY 17 H GLY 17 16.167 27.423 33.989 110 HA2 GLY 17 HA2 GLY 17 13.942 28.672 34.623 111 HA3 GLY 17 HA3 GLY 17 15.021 29.629 35.639 112 H TYR 18 H TYR 18 16.955 29.115 33.083 113 HA TYR 18 HA TYR 18 16.661 31.817 32.064 114 HB2 TYR 18 HB2 TYR 18 18.346 29.555 30.982 115 HB3 TYR 18 HB3 TYR 18 18.644 31.260 30.810 116 HD1 TYR 18 HD1 TYR 18 19.676 32.583 32.604 117 HD2 TYR 18 HD2 TYR 18 19.028 28.336 32.972 118 HE1 TYR 18 HE1 TYR 18 21.223 32.500 34.568 119 HE2 TYR 18 HE2 TYR 18 20.595 28.254 34.885 120 HH TYR 18 HH TYR 18 22.038 29.386 36.148 121 H ARG 19 H ARG 19 15.928 32.486 29.945 122 HA ARG 19 HA ARG 19 14.421 30.379 28.409 123 HB2 ARG 19 HB2 ARG 19 13.594 33.270 28.706 124 HB3 ARG 19 HB3 ARG 19 12.717 31.968 27.931 125 HG2 ARG 19 HG2 ARG 19 11.555 31.918 29.837 126 HG3 ARG 19 HG3 ARG 19 12.846 30.853 30.364 127 HD2 ARG 19 HD2 ARG 19 12.342 32.513 32.085 128 HD3 ARG 19 HD3 ARG 19 13.970 32.779 31.468 129 HE ARG 19 HE ARG 19 13.339 34.843 30.630 130 HH11 ARG 19 HH11 ARG 19 10.297 33.194 31.482 131 HH12 ARG 19 HH12 ARG 19 9.417 34.700 31.222 132 HH21 ARG 19 HH21 ARG 19 12.061 36.637 30.487 133 HH22 ARG 19 HH22 ARG 19 10.317 36.477 30.731 134 H GLN 20 H GLN 20 17.027 32.520 27.904 135 HA GLN 20 HA GLN 20 16.256 33.223 25.176 136 HB2 GLN 20 HB2 GLN 20 17.606 34.652 26.677 137 HB3 GLN 20 HB3 GLN 20 18.958 33.524 26.519 138 HG2 GLN 20 HG2 GLN 20 19.093 33.964 24.107 139 HG3 GLN 20 HG3 GLN 20 17.616 34.934 24.158 140 HE21 GLN 20 HE21 GLN 20 20.482 37.302 24.199 141 HE22 GLN 20 HE22 GLN 20 19.781 36.197 23.036 142 H GLY 21 H GLY 21 18.884 31.107 26.437 143 HA2 GLY 21 HA2 GLY 21 19.959 29.292 25.577 144 HA3 GLY 21 HA3 GLY 21 18.409 28.908 24.822 145 H LYS 22 H LYS 22 21.271 31.055 24.302 146 HA LYS 22 HA LYS 22 20.776 31.110 21.378 147 HB2 LYS 22 HB2 LYS 22 21.363 33.150 22.886 148 HB3 LYS 22 HB3 LYS 22 22.972 32.467 22.969 149 HG2 LYS 22 HG2 LYS 22 23.328 33.879 21.257 150 HG3 LYS 22 HG3 LYS 22 22.759 32.541 20.274 151 HD2 LYS 22 HD2 LYS 22 21.144 34.942 21.250 152 HD3 LYS 22 HD3 LYS 22 21.763 34.692 19.617 153 HE2 LYS 22 HE2 LYS 22 20.290 32.753 19.302 154 HE3 LYS 22 HE3 LYS 22 19.692 32.903 20.962 155 HZ1 LYS 22 HZ1 LYS 22 18.761 35.043 20.393 156 HZ2 LYS 22 HZ2 LYS 22 19.382 34.989 18.883 157 HZ3 LYS 22 HZ3 LYS 22 18.198 33.928 19.332 158 H CYS 23 H CYS 23 22.190 30.297 19.836 159 HA CYS 23 HA CYS 23 24.654 28.881 20.676 160 HB2 CYS 23 HB2 CYS 23 22.999 27.143 20.869 161 HB3 CYS 23 HB3 CYS 23 22.273 27.602 19.322 162 H TRP 24 H TRP 24 25.873 30.398 19.587 163 HA TRP 24 HA TRP 24 25.406 31.109 16.820 164 HB2 TRP 24 HB2 TRP 24 27.823 31.574 18.604 165 HB3 TRP 24 HB3 TRP 24 27.549 32.299 17.037 166 HD1 TRP 24 HD1 TRP 24 26.901 32.894 20.641 167 HE1 TRP 24 HE1 TRP 24 25.590 35.095 20.947 168 HE3 TRP 24 HE3 TRP 24 25.418 33.612 15.803 169 HZ2 TRP 24 HZ2 TRP 24 24.194 36.956 19.285 170 HZ3 TRP 24 HZ3 TRP 24 24.086 35.607 15.198 171 HH2 TRP 24 HH2 TRP 24 23.475 37.298 16.906 172 H GLY 25 H GLY 25 25.555 28.260 17.183 173 HA2 GLY 25 HA2 GLY 25 26.487 26.383 16.217 174 HA3 GLY 25 HA3 GLY 25 27.557 27.444 15.287 175 H LYS 26 H LYS 26 28.019 28.148 18.530 176 HA LYS 26 HA LYS 26 30.414 26.369 18.693 177 HB2 LYS 26 HB2 LYS 26 31.762 28.237 19.326 178 HB3 LYS 26 HB3 LYS 26 31.040 28.409 17.720 179 HG2 LYS 26 HG2 LYS 26 29.247 29.883 18.812 180 HG3 LYS 26 HG3 LYS 26 30.275 29.900 20.251 181 HD2 LYS 26 HD2 LYS 26 31.027 30.849 17.455 182 HD3 LYS 26 HD3 LYS 26 30.626 31.886 18.835 183 HE2 LYS 26 HE2 LYS 26 32.566 31.067 20.079 184 HE3 LYS 26 HE3 LYS 26 32.960 29.908 18.788 185 HZ1 LYS 26 HZ1 LYS 26 34.258 32.032 18.786 186 HZ2 LYS 26 HZ2 LYS 26 33.533 31.702 17.342 187 HZ3 LYS 26 HZ3 LYS 26 32.883 32.837 18.338 188 H TYR 27 H TYR 27 28.211 28.329 20.831 189 HA TYR 27 HA TYR 27 28.832 26.392 23.001 190 HB2 TYR 27 HB2 TYR 27 29.604 29.318 23.017 191 HB3 TYR 27 HB3 TYR 27 29.088 28.550 24.505 192 HD1 TYR 27 HD1 TYR 27 30.363 26.833 25.620 193 HD2 TYR 27 HD2 TYR 27 31.762 28.596 21.938 194 HE1 TYR 27 HE1 TYR 27 32.577 25.782 25.952 195 HE2 TYR 27 HE2 TYR 27 33.966 27.462 22.244 196 HH TYR 27 HH TYR 27 34.766 25.709 25.202 197 H CYS 28 H CYS 28 27.213 26.110 24.469 198 HA CYS 28 HA CYS 28 24.571 27.120 23.770 199 HB2 CYS 28 HB2 CYS 28 24.987 24.787 24.447 200 HB3 CYS 28 HB3 CYS 28 25.573 25.341 26.017 201 H GLN 29 H GLN 29 25.341 29.423 24.099 202 HA GLN 29 HA GLN 29 25.736 30.530 26.730 203 HB2 GLN 29 HB2 GLN 29 24.661 31.847 24.215 204 HB3 GLN 29 HB3 GLN 29 25.149 32.645 25.708 205 HG2 GLN 29 HG2 GLN 29 27.478 31.546 25.279 206 HG3 GLN 29 HG3 GLN 29 26.903 31.323 23.630 207 HE21 GLN 29 HE21 GLN 29 28.616 34.714 24.013 208 HE22 GLN 29 HE22 GLN 29 29.152 33.056 24.262 209 H CYS 30 H CYS 30 24.302 30.468 28.382 210 HA CYS 30 HA CYS 30 21.385 30.718 27.755 211 HB2 CYS 30 HB2 CYS 30 22.779 29.126 29.905 212 HB3 CYS 30 HB3 CYS 30 21.061 29.534 29.947 213 H TYR 31 H TYR 31 20.224 32.162 28.527 214 HA TYR 31 HA TYR 31 20.940 33.959 30.762 215 HB2 TYR 31 HB2 TYR 31 20.048 35.017 28.071 216 HB3 TYR 31 HB3 TYR 31 20.609 35.939 29.442 217 HD1 TYR 31 HD1 TYR 31 21.501 34.490 26.329 218 HD2 TYR 31 HD2 TYR 31 23.138 35.565 30.162 219 HE1 TYR 31 HE1 TYR 31 23.764 34.591 25.315 220 HE2 TYR 31 HE2 TYR 31 25.419 35.671 29.152 221 HH TYR 31 HH TYR 31 25.979 34.968 25.682 Start of MODEL 11 1 H1 GLY 1 H1 GLY 1 33.031 22.200 20.708 2 H2 GLY 1 H2 GLY 1 34.042 22.395 19.420 3 H3 GLY 1 H3 GLY 1 33.910 20.921 20.150 4 HA2 GLY 1 HA2 GLY 1 32.727 21.007 18.038 5 HA3 GLY 1 HA3 GLY 1 31.692 20.633 19.430 6 H MET 2 H MET 2 29.747 21.561 18.858 7 HA MET 2 HA MET 2 29.750 24.558 18.650 8 HB2 MET 2 HB2 MET 2 27.790 22.661 17.311 9 HB3 MET 2 HB3 MET 2 27.732 24.427 17.288 10 HG2 MET 2 HG2 MET 2 29.927 24.471 16.105 11 HG3 MET 2 HG3 MET 2 29.938 22.704 16.106 12 HE1 MET 2 HE1 MET 2 27.307 25.598 15.208 13 HE2 MET 2 HE2 MET 2 28.822 25.916 14.336 14 HE3 MET 2 HE3 MET 2 27.363 25.455 13.436 15 H ALA 3 H ALA 3 28.289 21.700 20.093 16 HA ALA 3 HA ALA 3 26.973 21.325 21.825 17 HB1 ALA 3 HB1 ALA 3 27.044 22.794 23.749 18 HB2 ALA 3 HB2 ALA 3 28.651 22.671 23.017 19 HB3 ALA 3 HB3 ALA 3 27.658 24.130 22.760 20 H CYS 4 H CYS 4 25.894 23.321 19.495 21 HA CYS 4 HA CYS 4 23.501 24.353 20.691 22 HB2 CYS 4 HB2 CYS 4 24.223 24.166 17.749 23 HB3 CYS 4 HB3 CYS 4 22.994 25.188 18.475 24 H GLN 5 H GLN 5 23.626 21.357 20.818 25 HA GLN 5 HA GLN 5 21.496 20.278 19.170 26 HB2 GLN 5 HB2 GLN 5 22.639 19.451 21.883 27 HB3 GLN 5 HB3 GLN 5 21.371 18.576 21.040 28 HG2 GLN 5 HG2 GLN 5 23.359 17.431 20.496 29 HG3 GLN 5 HG3 GLN 5 22.908 18.331 19.053 30 HE21 GLN 5 HE21 GLN 5 26.333 19.324 18.993 31 HE22 GLN 5 HE22 GLN 5 25.098 18.310 18.234 32 H PHE 6 H PHE 6 19.685 21.520 19.118 33 HA PHE 6 HA PHE 6 18.780 23.345 20.902 34 HB2 PHE 6 HB2 PHE 6 18.005 23.200 18.631 35 HB3 PHE 6 HB3 PHE 6 17.211 21.663 18.926 36 HD1 PHE 6 HD1 PHE 6 14.919 21.589 19.585 37 HD2 PHE 6 HD2 PHE 6 17.118 25.293 19.865 38 HE1 PHE 6 HE1 PHE 6 12.817 22.807 20.079 39 HE2 PHE 6 HE2 PHE 6 15.008 26.496 20.392 40 HZ PHE 6 HZ PHE 6 12.862 25.260 20.508 41 H TRP 7 H TRP 7 17.426 20.048 20.778 42 HA TRP 7 HA TRP 7 15.565 20.373 22.943 43 HB2 TRP 7 HB2 TRP 7 15.449 17.876 22.772 44 HB3 TRP 7 HB3 TRP 7 15.316 18.672 21.209 45 HD1 TRP 7 HD1 TRP 7 17.586 16.381 23.206 46 HE1 TRP 7 HE1 TRP 7 19.673 15.720 21.870 47 HE3 TRP 7 HE3 TRP 7 16.808 19.241 19.018 48 HZ2 TRP 7 HZ2 TRP 7 20.837 16.317 19.309 49 HZ3 TRP 7 HZ3 TRP 7 18.524 19.303 17.227 50 HH2 TRP 7 HH2 TRP 7 20.528 17.836 17.352 51 H SER 8 H SER 8 18.987 19.922 23.036 52 HA SER 8 HA SER 8 18.950 18.884 25.836 53 HB2 SER 8 HB2 SER 8 20.417 17.821 24.085 54 HB3 SER 8 HB3 SER 8 21.318 19.348 23.996 55 HG SER 8 HG SER 8 21.168 17.433 26.019 56 H CYS 9 H CYS 9 20.408 21.541 23.904 57 HA CYS 9 HA CYS 9 21.414 23.040 26.087 58 HB2 CYS 9 HB2 CYS 9 22.284 23.311 23.867 59 HB3 CYS 9 HB3 CYS 9 20.699 23.739 23.222 60 H ASN 10 H ASN 10 18.343 23.762 24.150 61 HA ASN 10 HA ASN 10 17.608 25.910 25.788 62 HB2 ASN 10 HB2 ASN 10 16.091 24.031 23.901 63 HB3 ASN 10 HB3 ASN 10 15.465 25.500 24.573 64 HD21 ASN 10 HD21 ASN 10 16.928 27.509 22.120 65 HD22 ASN 10 HD22 ASN 10 15.758 27.383 23.436 66 H SER 11 H SER 11 16.859 22.429 25.991 67 HA SER 11 HA SER 11 14.926 22.508 28.107 68 HB2 SER 11 HB2 SER 11 15.223 20.470 26.905 69 HB3 SER 11 HB3 SER 11 16.972 20.458 27.207 70 HG SER 11 HG SER 11 15.138 19.271 28.622 71 H SER 12 H SER 12 18.532 22.295 28.194 72 HA SER 12 HA SER 12 18.670 22.280 31.047 73 HB2 SER 12 HB2 SER 12 20.516 21.566 29.508 74 HB3 SER 12 HB3 SER 12 20.822 23.273 29.150 75 HG SER 12 HG SER 12 20.795 22.105 31.758 76 H CYS 13 H CYS 13 19.046 25.041 28.768 77 HA CYS 13 HA CYS 13 19.356 27.064 30.716 78 HB2 CYS 13 HB2 CYS 13 17.984 27.192 28.007 79 HB3 CYS 13 HB3 CYS 13 18.437 28.595 28.958 80 H ILE 14 H ILE 14 16.249 25.867 29.296 81 HA ILE 14 HA ILE 14 14.548 27.586 30.842 82 HB ILE 14 HB ILE 14 14.093 24.936 29.418 83 HG12 ILE 14 HG12 ILE 14 13.185 27.743 28.631 84 HG13 ILE 14 HG13 ILE 14 14.720 27.088 28.104 85 HG21 ILE 14 HG21 ILE 14 11.989 26.815 30.573 86 HG22 ILE 14 HG22 ILE 14 11.670 25.417 29.540 87 HG23 ILE 14 HG23 ILE 14 12.334 25.159 31.141 88 HD11 ILE 14 HD11 ILE 14 13.174 26.757 26.322 89 HD12 ILE 14 HD12 ILE 14 13.503 25.164 27.022 90 HD13 ILE 14 HD13 ILE 14 11.976 26.004 27.385 91 H SER 15 H SER 15 15.844 24.310 31.511 92 HA SER 15 HA SER 15 14.344 23.939 33.937 93 HB2 SER 15 HB2 SER 15 16.918 22.591 33.054 94 HB3 SER 15 HB3 SER 15 15.823 22.062 34.353 95 HG SER 15 HG SER 15 15.393 22.138 31.562 96 H ARG 16 H ARG 16 17.610 25.300 33.362 97 HA ARG 16 HA ARG 16 18.042 25.856 36.217 98 HB2 ARG 16 HB2 ARG 16 19.458 26.924 33.746 99 HB3 ARG 16 HB3 ARG 16 19.964 27.171 35.419 100 HG2 ARG 16 HG2 ARG 16 19.992 24.565 33.860 101 HG3 ARG 16 HG3 ARG 16 21.345 25.504 34.457 102 HD2 ARG 16 HD2 ARG 16 21.304 23.853 36.025 103 HD3 ARG 16 HD3 ARG 16 20.284 25.037 36.835 104 HE ARG 16 HE ARG 16 19.235 22.743 35.183 105 HH11 ARG 16 HH11 ARG 16 18.883 24.588 38.219 106 HH12 ARG 16 HH12 ARG 16 17.766 23.372 38.812 107 HH21 ARG 16 HH21 ARG 16 17.707 21.406 36.092 108 HH22 ARG 16 HH22 ARG 16 17.091 21.810 37.704 109 H GLY 17 H GLY 17 16.313 27.526 33.714 110 HA2 GLY 17 HA2 GLY 17 14.492 28.884 34.601 111 HA3 GLY 17 HA3 GLY 17 15.591 29.584 35.779 112 H TYR 18 H TYR 18 16.739 29.328 32.491 113 HA TYR 18 HA TYR 18 16.870 32.260 32.282 114 HB2 TYR 18 HB2 TYR 18 18.009 30.001 30.623 115 HB3 TYR 18 HB3 TYR 18 18.277 31.696 30.285 116 HD1 TYR 18 HD1 TYR 18 18.977 28.958 32.721 117 HD2 TYR 18 HD2 TYR 18 19.809 33.036 31.601 118 HE1 TYR 18 HE1 TYR 18 20.936 28.981 34.257 119 HE2 TYR 18 HE2 TYR 18 21.766 33.056 33.140 120 HH TYR 18 HH TYR 18 22.546 30.300 35.277 121 H ARG 19 H ARG 19 16.358 33.355 30.269 122 HA ARG 19 HA ARG 19 13.532 32.938 29.565 123 HB2 ARG 19 HB2 ARG 19 15.596 35.077 28.877 124 HB3 ARG 19 HB3 ARG 19 13.977 35.059 28.213 125 HG2 ARG 19 HG2 ARG 19 14.146 36.625 30.054 126 HG3 ARG 19 HG3 ARG 19 12.947 35.377 30.348 127 HD2 ARG 19 HD2 ARG 19 14.231 36.006 32.358 128 HD3 ARG 19 HD3 ARG 19 14.337 34.289 31.974 129 HE ARG 19 HE ARG 19 16.612 35.302 30.768 130 HH11 ARG 19 HH11 ARG 19 15.421 35.419 34.127 131 HH12 ARG 19 HH12 ARG 19 17.085 35.290 34.689 132 HH21 ARG 19 HH21 ARG 19 18.596 35.350 31.688 133 HH22 ARG 19 HH22 ARG 19 18.729 35.241 33.460 134 H GLN 20 H GLN 20 16.635 32.589 27.969 135 HA GLN 20 HA GLN 20 15.404 31.067 25.785 136 HB2 GLN 20 HB2 GLN 20 16.370 33.841 25.436 137 HB3 GLN 20 HB3 GLN 20 17.148 32.719 24.335 138 HG2 GLN 20 HG2 GLN 20 14.130 33.055 24.650 139 HG3 GLN 20 HG3 GLN 20 15.129 33.787 23.401 140 HE21 GLN 20 HE21 GLN 20 13.818 30.899 21.629 141 HE22 GLN 20 HE22 GLN 20 13.230 32.460 22.207 142 H GLY 21 H GLY 21 17.018 30.105 24.337 143 HA2 GLY 21 HA2 GLY 21 19.675 29.539 25.605 144 HA3 GLY 21 HA3 GLY 21 18.611 28.226 25.092 145 H LYS 22 H LYS 22 19.040 31.277 23.321 146 HA LYS 22 HA LYS 22 19.441 29.971 20.786 147 HB2 LYS 22 HB2 LYS 22 19.879 32.876 21.537 148 HB3 LYS 22 HB3 LYS 22 19.709 32.267 19.911 149 HG2 LYS 22 HG2 LYS 22 17.457 31.837 21.893 150 HG3 LYS 22 HG3 LYS 22 17.742 33.440 21.241 151 HD2 LYS 22 HD2 LYS 22 16.041 32.281 19.968 152 HD3 LYS 22 HD3 LYS 22 17.454 32.672 18.967 153 HE2 LYS 22 HE2 LYS 22 18.212 30.398 18.975 154 HE3 LYS 22 HE3 LYS 22 17.048 29.926 20.217 155 HZ1 LYS 22 HZ1 LYS 22 16.494 29.473 17.762 156 HZ2 LYS 22 HZ2 LYS 22 15.311 30.061 18.745 157 HZ3 LYS 22 HZ3 LYS 22 16.113 31.043 17.645 158 H CYS 23 H CYS 23 21.185 28.616 20.991 159 HA CYS 23 HA CYS 23 23.755 29.161 22.014 160 HB2 CYS 23 HB2 CYS 23 22.794 26.959 21.621 161 HB3 CYS 23 HB3 CYS 23 22.815 27.225 19.885 162 H TRP 24 H TRP 24 25.633 29.986 21.259 163 HA TRP 24 HA TRP 24 25.403 31.916 19.121 164 HB2 TRP 24 HB2 TRP 24 27.628 31.095 21.022 165 HB3 TRP 24 HB3 TRP 24 27.837 32.352 19.827 166 HD1 TRP 24 HD1 TRP 24 25.053 31.832 22.524 167 HE1 TRP 24 HE1 TRP 24 24.778 34.046 23.805 168 HE3 TRP 24 HE3 TRP 24 28.588 34.659 20.081 169 HZ2 TRP 24 HZ2 TRP 24 25.880 36.682 23.743 170 HZ3 TRP 24 HZ3 TRP 24 28.930 37.021 20.718 171 HH2 TRP 24 HH2 TRP 24 27.601 38.049 22.551 172 H GLY 25 H GLY 25 25.529 28.891 18.332 173 HA2 GLY 25 HA2 GLY 25 26.456 27.636 16.615 174 HA3 GLY 25 HA3 GLY 25 27.367 29.060 16.098 175 H LYS 26 H LYS 26 28.072 28.593 19.301 176 HA LYS 26 HA LYS 26 30.393 26.767 18.893 177 HB2 LYS 26 HB2 LYS 26 31.829 28.491 20.022 178 HB3 LYS 26 HB3 LYS 26 31.267 28.876 18.396 179 HG2 LYS 26 HG2 LYS 26 29.542 30.383 19.307 180 HG3 LYS 26 HG3 LYS 26 30.012 29.963 20.956 181 HD2 LYS 26 HD2 LYS 26 30.832 32.139 20.214 182 HD3 LYS 26 HD3 LYS 26 32.145 31.030 20.678 183 HE2 LYS 26 HE2 LYS 26 32.579 30.543 18.297 184 HE3 LYS 26 HE3 LYS 26 31.274 31.633 17.809 185 HZ1 LYS 26 HZ1 LYS 26 33.596 32.582 19.406 186 HZ2 LYS 26 HZ2 LYS 26 33.625 32.517 17.780 187 HZ3 LYS 26 HZ3 LYS 26 32.522 33.491 18.528 188 H TYR 27 H TYR 27 28.199 28.294 21.279 189 HA TYR 27 HA TYR 27 28.668 26.170 23.196 190 HB2 TYR 27 HB2 TYR 27 29.618 29.018 23.702 191 HB3 TYR 27 HB3 TYR 27 29.111 27.968 25.011 192 HD1 TYR 27 HD1 TYR 27 30.226 25.716 25.340 193 HD2 TYR 27 HD2 TYR 27 31.907 28.832 22.874 194 HE1 TYR 27 HE1 TYR 27 32.445 24.603 25.448 195 HE2 TYR 27 HE2 TYR 27 34.135 27.701 22.972 196 HH TYR 27 HH TYR 27 35.289 25.746 23.616 197 H CYS 28 H CYS 28 27.003 26.003 24.633 198 HA CYS 28 HA CYS 28 24.470 27.332 24.008 199 HB2 CYS 28 HB2 CYS 28 24.624 24.903 24.426 200 HB3 CYS 28 HB3 CYS 28 25.267 25.220 26.036 201 H GLN 29 H GLN 29 25.505 29.499 24.595 202 HA GLN 29 HA GLN 29 25.565 30.141 27.478 203 HB2 GLN 29 HB2 GLN 29 25.495 32.033 25.100 204 HB3 GLN 29 HB3 GLN 29 25.863 32.427 26.782 205 HG2 GLN 29 HG2 GLN 29 27.779 30.624 26.492 206 HG3 GLN 29 HG3 GLN 29 27.553 30.937 24.765 207 HE21 GLN 29 HE21 GLN 29 28.772 34.416 25.213 208 HE22 GLN 29 HE22 GLN 29 27.443 33.619 24.375 209 H CYS 30 H CYS 30 23.795 30.437 28.711 210 HA CYS 30 HA CYS 30 21.134 30.589 27.459 211 HB2 CYS 30 HB2 CYS 30 21.902 30.401 30.377 212 HB3 CYS 30 HB3 CYS 30 20.295 30.194 29.695 213 H TYR 31 H TYR 31 19.529 32.154 27.905 214 HA TYR 31 HA TYR 31 20.659 34.886 28.170 215 HB2 TYR 31 HB2 TYR 31 18.187 33.801 26.829 216 HB3 TYR 31 HB3 TYR 31 18.562 35.503 26.950 217 HD1 TYR 31 HD1 TYR 31 20.178 32.289 25.736 218 HD2 TYR 31 HD2 TYR 31 19.685 36.534 25.187 219 HE1 TYR 31 HE1 TYR 31 21.600 32.189 23.740 220 HE2 TYR 31 HE2 TYR 31 21.033 36.408 23.089 221 HH TYR 31 HH TYR 31 22.307 33.279 21.885 Start of MODEL 12 1 H1 GLY 1 H1 GLY 1 25.427 22.825 15.079 2 H2 GLY 1 H2 GLY 1 24.029 22.792 15.948 3 H3 GLY 1 H3 GLY 1 24.038 22.299 14.388 4 HA2 GLY 1 HA2 GLY 1 23.924 20.454 15.957 5 HA3 GLY 1 HA3 GLY 1 25.321 20.380 14.873 6 H MET 2 H MET 2 27.359 20.487 15.728 7 HA MET 2 HA MET 2 27.883 19.393 18.123 8 HB2 MET 2 HB2 MET 2 29.648 21.345 16.609 9 HB3 MET 2 HB3 MET 2 30.204 20.406 17.996 10 HG2 MET 2 HG2 MET 2 29.618 18.305 16.831 11 HG3 MET 2 HG3 MET 2 29.143 19.234 15.408 12 HE1 MET 2 HE1 MET 2 32.471 17.506 14.267 13 HE2 MET 2 HE2 MET 2 31.224 16.837 15.332 14 HE3 MET 2 HE3 MET 2 30.759 17.776 13.901 15 H ALA 3 H ALA 3 28.133 19.782 20.164 16 HA ALA 3 HA ALA 3 27.823 20.619 22.188 17 HB1 ALA 3 HB1 ALA 3 30.021 21.586 21.668 18 HB2 ALA 3 HB2 ALA 3 29.233 23.076 21.106 19 HB3 ALA 3 HB3 ALA 3 29.098 22.590 22.807 20 H CYS 4 H CYS 4 25.909 21.949 19.809 21 HA CYS 4 HA CYS 4 24.355 23.622 21.741 22 HB2 CYS 4 HB2 CYS 4 25.345 24.258 18.944 23 HB3 CYS 4 HB3 CYS 4 24.070 25.168 19.749 24 H GLN 5 H GLN 5 23.638 21.000 21.267 25 HA GLN 5 HA GLN 5 21.672 20.615 19.216 26 HB2 GLN 5 HB2 GLN 5 22.091 19.274 21.931 27 HB3 GLN 5 HB3 GLN 5 20.945 18.746 20.712 28 HG2 GLN 5 HG2 GLN 5 22.758 17.356 20.370 29 HG3 GLN 5 HG3 GLN 5 22.829 18.535 19.070 30 HE21 GLN 5 HE21 GLN 5 26.295 18.569 19.904 31 HE22 GLN 5 HE22 GLN 5 25.051 18.287 18.680 32 H PHE 6 H PHE 6 19.619 21.329 19.045 33 HA PHE 6 HA PHE 6 18.816 23.541 20.514 34 HB2 PHE 6 HB2 PHE 6 18.204 23.121 18.221 35 HB3 PHE 6 HB3 PHE 6 17.164 21.806 18.701 36 HD1 PHE 6 HD1 PHE 6 17.581 25.486 18.643 37 HD2 PHE 6 HD2 PHE 6 14.946 22.244 19.695 38 HE1 PHE 6 HE1 PHE 6 15.694 27.077 18.841 39 HE2 PHE 6 HE2 PHE 6 13.058 23.829 19.882 40 HZ PHE 6 HZ PHE 6 13.427 26.255 19.463 41 H TRP 7 H TRP 7 17.215 20.318 20.818 42 HA TRP 7 HA TRP 7 15.332 21.336 22.807 43 HB2 TRP 7 HB2 TRP 7 15.958 18.505 21.892 44 HB3 TRP 7 HB3 TRP 7 14.695 18.935 23.033 45 HD1 TRP 7 HD1 TRP 7 12.447 19.698 22.129 46 HE1 TRP 7 HE1 TRP 7 11.409 20.159 19.817 47 HE3 TRP 7 HE3 TRP 7 16.661 19.293 19.255 48 HZ2 TRP 7 HZ2 TRP 7 12.362 20.648 17.146 49 HZ3 TRP 7 HZ3 TRP 7 16.615 19.978 16.884 50 HH2 TRP 7 HH2 TRP 7 14.459 20.614 15.796 51 H SER 8 H SER 8 18.488 19.871 22.877 52 HA SER 8 HA SER 8 18.541 19.229 25.730 53 HB2 SER 8 HB2 SER 8 20.050 18.120 24.158 54 HB3 SER 8 HB3 SER 8 20.789 19.674 23.727 55 HG SER 8 HG SER 8 21.732 19.815 25.673 56 H CYS 9 H CYS 9 19.984 21.900 23.773 57 HA CYS 9 HA CYS 9 20.916 23.439 25.943 58 HB2 CYS 9 HB2 CYS 9 21.682 23.796 23.700 59 HB3 CYS 9 HB3 CYS 9 20.053 24.181 23.124 60 H ASN 10 H ASN 10 17.675 23.673 24.223 61 HA ASN 10 HA ASN 10 16.629 25.764 25.761 62 HB2 ASN 10 HB2 ASN 10 15.499 23.317 24.314 63 HB3 ASN 10 HB3 ASN 10 14.510 24.518 25.082 64 HD21 ASN 10 HD21 ASN 10 14.470 25.608 21.702 65 HD22 ASN 10 HD22 ASN 10 13.594 24.655 22.907 66 H SER 11 H SER 11 16.347 22.171 26.329 67 HA SER 11 HA SER 11 14.797 22.460 28.708 68 HB2 SER 11 HB2 SER 11 16.586 20.142 27.888 69 HB3 SER 11 HB3 SER 11 15.315 20.108 29.123 70 HG SER 11 HG SER 11 15.122 20.298 26.331 71 H SER 12 H SER 12 18.307 22.289 28.245 72 HA SER 12 HA SER 12 19.135 22.244 30.974 73 HB2 SER 12 HB2 SER 12 20.585 21.775 29.010 74 HB3 SER 12 HB3 SER 12 20.490 23.478 28.538 75 HG SER 12 HG SER 12 21.706 22.261 30.759 76 H CYS 13 H CYS 13 18.791 25.042 28.743 77 HA CYS 13 HA CYS 13 19.328 27.074 30.655 78 HB2 CYS 13 HB2 CYS 13 17.685 27.101 28.092 79 HB3 CYS 13 HB3 CYS 13 18.160 28.542 28.959 80 H ILE 14 H ILE 14 16.180 25.717 29.580 81 HA ILE 14 HA ILE 14 14.497 27.308 31.244 82 HB ILE 14 HB ILE 14 14.160 24.567 30.001 83 HG12 ILE 14 HG12 ILE 14 12.881 27.184 29.092 84 HG13 ILE 14 HG13 ILE 14 14.460 26.704 28.514 85 HG21 ILE 14 HG21 ILE 14 12.566 24.786 31.864 86 HG22 ILE 14 HG22 ILE 14 11.984 26.323 31.211 87 HG23 ILE 14 HG23 ILE 14 11.736 24.807 30.315 88 HD11 ILE 14 HD11 ILE 14 13.418 24.507 27.707 89 HD12 ILE 14 HD12 ILE 14 11.841 25.244 28.043 90 HD13 ILE 14 HD13 ILE 14 12.938 25.967 26.848 91 H SER 15 H SER 15 16.085 24.141 31.897 92 HA SER 15 HA SER 15 14.938 23.729 34.479 93 HB2 SER 15 HB2 SER 15 16.021 21.928 33.210 94 HB3 SER 15 HB3 SER 15 17.577 22.749 33.319 95 HG SER 15 HG SER 15 16.332 21.121 35.089 96 H ARG 16 H ARG 16 17.950 25.414 33.517 97 HA ARG 16 HA ARG 16 18.798 25.886 36.263 98 HB2 ARG 16 HB2 ARG 16 19.795 26.556 33.509 99 HB3 ARG 16 HB3 ARG 16 20.280 27.630 34.816 100 HG2 ARG 16 HG2 ARG 16 21.983 26.031 34.523 101 HG3 ARG 16 HG3 ARG 16 21.255 25.788 36.083 102 HD2 ARG 16 HD2 ARG 16 20.780 24.077 33.586 103 HD3 ARG 16 HD3 ARG 16 21.913 23.687 34.881 104 HE ARG 16 HE ARG 16 19.193 23.005 34.845 105 HH11 ARG 16 HH11 ARG 16 21.595 23.925 37.254 106 HH12 ARG 16 HH12 ARG 16 20.486 23.521 38.549 107 HH21 ARG 16 HH21 ARG 16 17.954 22.448 36.511 108 HH22 ARG 16 HH22 ARG 16 18.468 22.748 38.151 109 H GLY 17 H GLY 17 16.902 27.825 34.018 110 HA2 GLY 17 HA2 GLY 17 15.276 29.241 35.374 111 HA3 GLY 17 HA3 GLY 17 16.691 29.972 36.125 112 H TYR 18 H TYR 18 16.452 29.227 32.657 113 HA TYR 18 HA TYR 18 16.439 32.147 31.972 114 HB2 TYR 18 HB2 TYR 18 17.739 29.836 30.529 115 HB3 TYR 18 HB3 TYR 18 17.855 31.523 30.085 116 HD1 TYR 18 HD1 TYR 18 19.209 33.100 31.476 117 HD2 TYR 18 HD2 TYR 18 19.221 28.850 32.160 118 HE1 TYR 18 HE1 TYR 18 21.441 33.275 32.535 119 HE2 TYR 18 HE2 TYR 18 21.483 29.012 33.164 120 HH TYR 18 HH TYR 18 23.194 32.132 33.457 121 H ARG 19 H ARG 19 15.776 32.398 29.518 122 HA ARG 19 HA ARG 19 13.402 30.619 28.907 123 HB2 ARG 19 HB2 ARG 19 13.749 33.609 28.820 124 HB3 ARG 19 HB3 ARG 19 12.817 32.837 27.547 125 HG2 ARG 19 HG2 ARG 19 11.396 33.706 29.328 126 HG3 ARG 19 HG3 ARG 19 11.191 31.984 29.029 127 HD2 ARG 19 HD2 ARG 19 11.105 32.540 31.425 128 HD3 ARG 19 HD3 ARG 19 12.391 31.404 31.021 129 HE ARG 19 HE ARG 19 13.481 34.059 31.028 130 HH11 ARG 19 HH11 ARG 19 12.382 31.571 33.263 131 HH12 ARG 19 HH12 ARG 19 13.551 32.029 34.468 132 HH21 ARG 19 HH21 ARG 19 14.902 34.569 32.540 133 HH22 ARG 19 HH22 ARG 19 14.976 33.695 34.071 134 H GLN 20 H GLN 20 16.168 32.353 27.467 135 HA GLN 20 HA GLN 20 15.647 30.971 24.856 136 HB2 GLN 20 HB2 GLN 20 15.643 33.442 24.807 137 HB3 GLN 20 HB3 GLN 20 17.261 33.450 25.507 138 HG2 GLN 20 HG2 GLN 20 18.163 32.313 23.463 139 HG3 GLN 20 HG3 GLN 20 16.530 32.314 22.787 140 HE21 GLN 20 HE21 GLN 20 17.393 35.383 21.226 141 HE22 GLN 20 HE22 GLN 20 16.899 33.712 20.978 142 H GLY 21 H GLY 21 17.248 29.704 23.909 143 HA2 GLY 21 HA2 GLY 21 19.966 29.586 25.176 144 HA3 GLY 21 HA3 GLY 21 19.104 28.127 24.675 145 H LYS 22 H LYS 22 21.329 30.459 23.691 146 HA LYS 22 HA LYS 22 20.950 29.948 20.764 147 HB2 LYS 22 HB2 LYS 22 20.008 32.180 21.574 148 HB3 LYS 22 HB3 LYS 22 21.631 32.598 22.093 149 HG2 LYS 22 HG2 LYS 22 21.693 33.633 20.102 150 HG3 LYS 22 HG3 LYS 22 22.215 32.068 19.501 151 HD2 LYS 22 HD2 LYS 22 19.358 33.158 19.483 152 HD3 LYS 22 HD3 LYS 22 20.471 33.192 18.115 153 HE2 LYS 22 HE2 LYS 22 20.511 30.775 17.965 154 HE3 LYS 22 HE3 LYS 22 19.563 30.628 19.455 155 HZ1 LYS 22 HZ1 LYS 22 17.707 31.691 18.338 156 HZ2 LYS 22 HZ2 LYS 22 18.551 31.912 16.961 157 HZ3 LYS 22 HZ3 LYS 22 18.165 30.405 17.451 158 H CYS 23 H CYS 23 22.724 29.363 19.711 159 HA CYS 23 HA CYS 23 25.257 29.118 21.181 160 HB2 CYS 23 HB2 CYS 23 24.110 27.329 19.782 161 HB3 CYS 23 HB3 CYS 23 24.611 28.243 18.369 162 H TRP 24 H TRP 24 27.207 29.949 20.659 163 HA TRP 24 HA TRP 24 27.464 31.852 18.369 164 HB2 TRP 24 HB2 TRP 24 28.731 32.280 21.096 165 HB3 TRP 24 HB3 TRP 24 28.744 33.373 19.713 166 HD1 TRP 24 HD1 TRP 24 26.854 32.566 22.795 167 HE1 TRP 24 HE1 TRP 24 24.724 33.991 23.005 168 HE3 TRP 24 HE3 TRP 24 26.771 34.564 18.099 169 HZ2 TRP 24 HZ2 TRP 24 23.005 35.476 21.230 170 HZ3 TRP 24 HZ3 TRP 24 24.878 36.035 17.389 171 HH2 TRP 24 HH2 TRP 24 22.983 36.458 18.922 172 H GLY 25 H GLY 25 27.983 29.225 18.099 173 HA2 GLY 25 HA2 GLY 25 29.485 27.598 17.597 174 HA3 GLY 25 HA3 GLY 25 30.762 28.803 17.619 175 H LYS 26 H LYS 26 30.740 29.581 20.274 176 HA LYS 26 HA LYS 26 32.320 27.432 21.374 177 HB2 LYS 26 HB2 LYS 26 33.124 29.032 22.910 178 HB3 LYS 26 HB3 LYS 26 32.990 29.789 21.330 179 HG2 LYS 26 HG2 LYS 26 30.713 30.733 22.205 180 HG3 LYS 26 HG3 LYS 26 31.277 30.228 23.807 181 HD2 LYS 26 HD2 LYS 26 32.623 32.155 21.889 182 HD3 LYS 26 HD3 LYS 26 31.824 32.582 23.409 183 HE2 LYS 26 HE2 LYS 26 33.553 31.382 24.690 184 HE3 LYS 26 HE3 LYS 26 34.302 30.805 23.196 185 HZ1 LYS 26 HZ1 LYS 26 34.150 33.627 24.068 186 HZ2 LYS 26 HZ2 LYS 26 35.519 32.689 23.928 187 HZ3 LYS 26 HZ3 LYS 26 34.689 33.153 22.595 188 H TYR 27 H TYR 27 29.199 28.800 22.394 189 HA TYR 27 HA TYR 27 28.657 26.440 23.999 190 HB2 TYR 27 HB2 TYR 27 30.006 28.077 25.493 191 HB3 TYR 27 HB3 TYR 27 28.620 29.157 25.387 192 HD1 TYR 27 HD1 TYR 27 26.586 28.656 26.693 193 HD2 TYR 27 HD2 TYR 27 29.840 25.843 26.492 194 HE1 TYR 27 HE1 TYR 27 25.413 27.199 28.336 195 HE2 TYR 27 HE2 TYR 27 28.710 24.431 28.177 196 HH TYR 27 HH TYR 27 25.383 25.037 29.276 197 H CYS 28 H CYS 28 26.367 26.238 24.380 198 HA CYS 28 HA CYS 28 24.648 28.069 22.825 199 HB2 CYS 28 HB2 CYS 28 24.433 25.550 22.813 200 HB3 CYS 28 HB3 CYS 28 23.794 25.679 24.443 201 H GLN 29 H GLN 29 25.225 29.922 24.053 202 HA GLN 29 HA GLN 29 24.960 30.206 26.860 203 HB2 GLN 29 HB2 GLN 29 24.798 32.196 24.575 204 HB3 GLN 29 HB3 GLN 29 24.670 32.699 26.258 205 HG2 GLN 29 HG2 GLN 29 27.089 31.200 25.171 206 HG3 GLN 29 HG3 GLN 29 26.948 32.956 25.228 207 HE21 GLN 29 HE21 GLN 29 28.665 32.383 28.350 208 HE22 GLN 29 HE22 GLN 29 28.972 32.792 26.655 209 H CYS 30 H CYS 30 23.412 30.648 28.253 210 HA CYS 30 HA CYS 30 20.617 30.631 27.294 211 HB2 CYS 30 HB2 CYS 30 21.712 30.380 30.096 212 HB3 CYS 30 HB3 CYS 30 20.052 30.116 29.563 213 H TYR 31 H TYR 31 19.123 32.222 27.806 214 HA TYR 31 HA TYR 31 20.022 34.655 29.271 215 HB2 TYR 31 HB2 TYR 31 18.683 34.737 26.555 216 HB3 TYR 31 HB3 TYR 31 19.150 36.107 27.531 217 HD1 TYR 31 HD1 TYR 31 21.553 36.734 27.786 218 HD2 TYR 31 HD2 TYR 31 20.333 33.450 25.275 219 HE1 TYR 31 HE1 TYR 31 23.780 36.754 26.684 220 HE2 TYR 31 HE2 TYR 31 22.577 33.442 24.198 221 HH TYR 31 HH TYR 31 25.235 35.454 25.387 Start of MODEL 13 1 H1 GLY 1 H1 GLY 1 18.736 25.805 13.442 2 H2 GLY 1 H2 GLY 1 18.447 26.901 14.651 3 H3 GLY 1 H3 GLY 1 18.776 25.310 14.993 4 HA2 GLY 1 HA2 GLY 1 20.645 27.234 13.810 5 HA3 GLY 1 HA3 GLY 1 20.692 26.635 15.489 6 H MET 2 H MET 2 22.498 26.385 12.982 7 HA MET 2 HA MET 2 22.678 23.440 12.703 8 HB2 MET 2 HB2 MET 2 24.146 25.736 11.389 9 HB3 MET 2 HB3 MET 2 24.624 24.043 11.174 10 HG2 MET 2 HG2 MET 2 22.374 23.471 10.376 11 HG3 MET 2 HG3 MET 2 21.849 25.132 10.618 12 HE1 MET 2 HE1 MET 2 21.594 24.902 6.807 13 HE2 MET 2 HE2 MET 2 21.163 23.700 8.043 14 HE3 MET 2 HE3 MET 2 20.816 25.422 8.318 15 H ALA 3 H ALA 3 24.470 22.241 13.167 16 HA ALA 3 HA ALA 3 25.914 21.286 14.552 17 HB1 ALA 3 HB1 ALA 3 27.408 22.879 13.387 18 HB2 ALA 3 HB2 ALA 3 27.239 24.008 14.757 19 HB3 ALA 3 HB3 ALA 3 27.991 22.417 14.997 20 H CYS 4 H CYS 4 23.587 23.016 15.942 21 HA CYS 4 HA CYS 4 24.216 21.990 18.601 22 HB2 CYS 4 HB2 CYS 4 23.607 24.908 18.039 23 HB3 CYS 4 HB3 CYS 4 23.295 24.135 19.574 24 H GLN 5 H GLN 5 22.534 20.778 19.023 25 HA GLN 5 HA GLN 5 19.921 21.030 17.881 26 HB2 GLN 5 HB2 GLN 5 19.258 19.368 19.639 27 HB3 GLN 5 HB3 GLN 5 20.571 18.890 18.588 28 HG2 GLN 5 HG2 GLN 5 20.968 18.194 20.897 29 HG3 GLN 5 HG3 GLN 5 22.221 19.274 20.319 30 HE21 GLN 5 HE21 GLN 5 21.860 21.185 23.266 31 HE22 GLN 5 HE22 GLN 5 22.891 20.465 22.046 32 H PHE 6 H PHE 6 17.921 21.438 18.925 33 HA PHE 6 HA PHE 6 17.911 23.893 20.494 34 HB2 PHE 6 HB2 PHE 6 16.576 23.458 18.465 35 HB3 PHE 6 HB3 PHE 6 15.740 22.149 19.262 36 HD1 PHE 6 HD1 PHE 6 13.631 22.609 20.260 37 HD2 PHE 6 HD2 PHE 6 16.417 25.822 19.538 38 HE1 PHE 6 HE1 PHE 6 11.862 24.269 20.789 39 HE2 PHE 6 HE2 PHE 6 14.648 27.483 20.073 40 HZ PHE 6 HZ PHE 6 12.372 26.706 20.699 41 H TRP 7 H TRP 7 16.369 20.707 20.955 42 HA TRP 7 HA TRP 7 14.987 21.297 23.255 43 HB2 TRP 7 HB2 TRP 7 15.933 18.535 22.446 44 HB3 TRP 7 HB3 TRP 7 14.493 18.944 23.367 45 HD1 TRP 7 HD1 TRP 7 12.326 19.488 22.017 46 HE1 TRP 7 HE1 TRP 7 11.692 19.590 19.530 47 HE3 TRP 7 HE3 TRP 7 17.004 19.100 19.959 48 HZ2 TRP 7 HZ2 TRP 7 13.064 19.811 17.007 49 HZ3 TRP 7 HZ3 TRP 7 17.325 19.476 17.525 50 HH2 TRP 7 HH2 TRP 7 15.368 19.830 16.042 51 H SER 8 H SER 8 18.318 19.931 23.272 52 HA SER 8 HA SER 8 18.202 19.553 26.211 53 HB2 SER 8 HB2 SER 8 19.396 17.883 24.824 54 HB3 SER 8 HB3 SER 8 20.550 19.139 24.345 55 HG SER 8 HG SER 8 20.222 17.814 26.782 56 H CYS 9 H CYS 9 19.650 21.837 23.828 57 HA CYS 9 HA CYS 9 21.095 23.405 25.772 58 HB2 CYS 9 HB2 CYS 9 21.563 23.791 23.470 59 HB3 CYS 9 HB3 CYS 9 19.869 24.111 23.081 60 H ASN 10 H ASN 10 17.677 23.732 24.525 61 HA ASN 10 HA ASN 10 16.877 25.768 26.279 62 HB2 ASN 10 HB2 ASN 10 15.512 23.471 24.796 63 HB3 ASN 10 HB3 ASN 10 14.657 24.672 25.712 64 HD21 ASN 10 HD21 ASN 10 14.433 25.901 22.347 65 HD22 ASN 10 HD22 ASN 10 13.663 24.794 23.474 66 H SER 11 H SER 11 16.884 22.156 26.725 67 HA SER 11 HA SER 11 15.515 22.165 29.222 68 HB2 SER 11 HB2 SER 11 15.998 20.154 27.816 69 HB3 SER 11 HB3 SER 11 17.690 20.226 28.336 70 HG SER 11 HG SER 11 15.377 19.955 29.978 71 H SER 12 H SER 12 18.991 22.536 28.488 72 HA SER 12 HA SER 12 19.900 22.751 31.189 73 HB2 SER 12 HB2 SER 12 21.471 22.427 29.353 74 HB3 SER 12 HB3 SER 12 21.017 23.984 28.649 75 HG SER 12 HG SER 12 22.707 24.563 29.786 76 H CYS 13 H CYS 13 19.117 25.422 28.894 77 HA CYS 13 HA CYS 13 19.382 27.482 30.820 78 HB2 CYS 13 HB2 CYS 13 17.724 27.343 28.282 79 HB3 CYS 13 HB3 CYS 13 17.960 28.818 29.218 80 H ILE 14 H ILE 14 16.372 25.737 29.875 81 HA ILE 14 HA ILE 14 14.604 27.180 31.566 82 HB ILE 14 HB ILE 14 14.494 24.392 30.382 83 HG12 ILE 14 HG12 ILE 14 12.914 26.899 29.641 84 HG13 ILE 14 HG13 ILE 14 14.458 26.519 28.902 85 HG21 ILE 14 HG21 ILE 14 12.059 24.371 30.875 86 HG22 ILE 14 HG22 ILE 14 13.018 24.337 32.342 87 HG23 ILE 14 HG23 ILE 14 12.245 25.855 31.826 88 HD11 ILE 14 HD11 ILE 14 13.498 24.301 28.139 89 HD12 ILE 14 HD12 ILE 14 11.905 24.889 28.668 90 HD13 ILE 14 HD13 ILE 14 12.794 25.742 27.396 91 H SER 15 H SER 15 16.693 24.385 32.268 92 HA SER 15 HA SER 15 15.737 24.008 34.970 93 HB2 SER 15 HB2 SER 15 18.336 23.080 33.724 94 HB3 SER 15 HB3 SER 15 17.611 22.507 35.240 95 HG SER 15 HG SER 15 16.788 22.155 32.574 96 H ARG 16 H ARG 16 18.560 25.784 33.583 97 HA ARG 16 HA ARG 16 19.542 26.829 36.105 98 HB2 ARG 16 HB2 ARG 16 19.862 27.601 33.183 99 HB3 ARG 16 HB3 ARG 16 20.294 28.753 34.427 100 HG2 ARG 16 HG2 ARG 16 22.288 27.811 33.927 101 HG3 ARG 16 HG3 ARG 16 21.855 27.042 35.441 102 HD2 ARG 16 HD2 ARG 16 21.452 25.769 32.692 103 HD3 ARG 16 HD3 ARG 16 22.927 25.592 33.646 104 HE ARG 16 HE ARG 16 20.859 24.869 35.382 105 HH11 ARG 16 HH11 ARG 16 22.040 23.494 32.336 106 HH12 ARG 16 HH12 ARG 16 21.703 21.878 32.939 107 HH21 ARG 16 HH21 ARG 16 20.462 22.893 35.942 108 HH22 ARG 16 HH22 ARG 16 20.786 21.536 34.839 109 H GLY 17 H GLY 17 16.860 27.799 34.093 110 HA2 GLY 17 HA2 GLY 17 15.000 28.956 35.199 111 HA3 GLY 17 HA3 GLY 17 16.157 29.967 36.056 112 H TYR 18 H TYR 18 16.250 29.198 32.554 113 HA TYR 18 HA TYR 18 15.484 31.981 31.796 114 HB2 TYR 18 HB2 TYR 18 17.940 30.467 30.827 115 HB3 TYR 18 HB3 TYR 18 17.434 32.071 30.308 116 HD1 TYR 18 HD1 TYR 18 18.154 34.016 31.531 117 HD2 TYR 18 HD2 TYR 18 18.763 30.093 33.184 118 HE1 TYR 18 HE1 TYR 18 19.462 35.009 33.411 119 HE2 TYR 18 HE2 TYR 18 20.032 31.084 35.087 120 HH TYR 18 HH TYR 18 20.556 33.029 36.177 121 H ARG 19 H ARG 19 14.319 32.029 29.738 122 HA ARG 19 HA ARG 19 13.005 29.491 29.255 123 HB2 ARG 19 HB2 ARG 19 12.758 32.238 28.008 124 HB3 ARG 19 HB3 ARG 19 11.958 30.849 27.293 125 HG2 ARG 19 HG2 ARG 19 10.348 31.867 28.593 126 HG3 ARG 19 HG3 ARG 19 10.776 30.387 29.440 127 HD2 ARG 19 HD2 ARG 19 12.074 33.034 30.159 128 HD3 ARG 19 HD3 ARG 19 10.430 32.665 30.709 129 HE ARG 19 HE ARG 19 11.731 30.457 31.545 130 HH11 ARG 19 HH11 ARG 19 12.320 33.887 32.081 131 HH12 ARG 19 HH12 ARG 19 13.012 33.587 33.675 132 HH21 ARG 19 HH21 ARG 19 12.572 30.232 33.681 133 HH22 ARG 19 HH22 ARG 19 13.108 31.707 34.486 134 H GLN 20 H GLN 20 15.689 30.884 27.488 135 HA GLN 20 HA GLN 20 15.822 28.544 25.701 136 HB2 GLN 20 HB2 GLN 20 14.206 29.935 24.544 137 HB3 GLN 20 HB3 GLN 20 15.223 31.365 24.713 138 HG2 GLN 20 HG2 GLN 20 16.855 30.478 23.124 139 HG3 GLN 20 HG3 GLN 20 16.024 28.914 23.093 140 HE21 GLN 20 HE21 GLN 20 14.849 30.453 20.031 141 HE22 GLN 20 HE22 GLN 20 16.226 29.534 20.635 142 H GLY 21 H GLY 21 17.821 28.551 24.400 143 HA2 GLY 21 HA2 GLY 21 19.793 30.653 24.930 144 HA3 GLY 21 HA3 GLY 21 20.302 29.008 25.340 145 H LYS 22 H LYS 22 21.585 30.618 23.507 146 HA LYS 22 HA LYS 22 21.183 29.282 20.846 147 HB2 LYS 22 HB2 LYS 22 20.231 31.618 20.939 148 HB3 LYS 22 HB3 LYS 22 21.805 32.203 21.432 149 HG2 LYS 22 HG2 LYS 22 21.983 32.717 19.258 150 HG3 LYS 22 HG3 LYS 22 22.582 31.071 19.117 151 HD2 LYS 22 HD2 LYS 22 19.765 32.082 18.562 152 HD3 LYS 22 HD3 LYS 22 20.973 31.551 17.376 153 HE2 LYS 22 HE2 LYS 22 20.871 29.272 18.619 154 HE3 LYS 22 HE3 LYS 22 19.382 29.883 19.357 155 HZ1 LYS 22 HZ1 LYS 22 18.642 30.313 16.986 156 HZ2 LYS 22 HZ2 LYS 22 19.956 29.490 16.482 157 HZ3 LYS 22 HZ3 LYS 22 18.821 28.703 17.366 158 H CYS 23 H CYS 23 23.047 28.537 19.859 159 HA CYS 23 HA CYS 23 25.585 28.640 21.279 160 HB2 CYS 23 HB2 CYS 23 24.601 27.380 18.729 161 HB3 CYS 23 HB3 CYS 23 26.325 27.498 19.047 162 H TRP 24 H TRP 24 27.472 29.441 20.742 163 HA TRP 24 HA TRP 24 27.800 31.460 18.592 164 HB2 TRP 24 HB2 TRP 24 28.356 32.032 21.523 165 HB3 TRP 24 HB3 TRP 24 28.684 33.113 20.176 166 HD1 TRP 24 HD1 TRP 24 25.993 32.073 22.539 167 HE1 TRP 24 HE1 TRP 24 23.870 33.457 22.178 168 HE3 TRP 24 HE3 TRP 24 27.253 34.321 18.112 169 HZ2 TRP 24 HZ2 TRP 24 22.800 35.226 20.158 170 HZ3 TRP 24 HZ3 TRP 24 25.645 35.841 16.979 171 HH2 TRP 24 HH2 TRP 24 23.419 36.296 17.989 172 H GLY 25 H GLY 25 28.907 28.757 18.971 173 HA2 GLY 25 HA2 GLY 25 30.916 27.697 18.602 174 HA3 GLY 25 HA3 GLY 25 31.711 29.257 18.526 175 H LYS 26 H LYS 26 30.188 29.166 21.504 176 HA LYS 26 HA LYS 26 32.608 28.079 22.896 177 HB2 LYS 26 HB2 LYS 26 32.785 29.979 24.271 178 HB3 LYS 26 HB3 LYS 26 32.838 30.471 22.581 179 HG2 LYS 26 HG2 LYS 26 30.355 31.102 22.806 180 HG3 LYS 26 HG3 LYS 26 30.532 30.846 24.547 181 HD2 LYS 26 HD2 LYS 26 32.019 32.842 22.803 182 HD3 LYS 26 HD3 LYS 26 30.800 33.223 24.016 183 HE2 LYS 26 HE2 LYS 26 33.485 31.897 24.599 184 HE3 LYS 26 HE3 LYS 26 33.213 33.640 24.689 185 HZ1 LYS 26 HZ1 LYS 26 31.535 33.223 26.421 186 HZ2 LYS 26 HZ2 LYS 26 31.877 31.589 26.380 187 HZ3 LYS 26 HZ3 LYS 26 33.006 32.677 26.865 188 H TYR 27 H TYR 27 29.196 28.962 23.334 189 HA TYR 27 HA TYR 27 28.554 26.587 24.731 190 HB2 TYR 27 HB2 TYR 27 29.575 27.776 26.661 191 HB3 TYR 27 HB3 TYR 27 28.496 29.132 26.408 192 HD1 TYR 27 HD1 TYR 27 26.219 29.062 27.241 193 HD2 TYR 27 HD2 TYR 27 28.693 25.547 27.443 194 HE1 TYR 27 HE1 TYR 27 24.550 27.986 28.741 195 HE2 TYR 27 HE2 TYR 27 26.992 24.461 28.905 196 HH TYR 27 HH TYR 27 24.405 26.221 30.369 197 H CYS 28 H CYS 28 26.219 26.393 24.924 198 HA CYS 28 HA CYS 28 24.703 28.142 23.140 199 HB2 CYS 28 HB2 CYS 28 24.530 25.633 23.243 200 HB3 CYS 28 HB3 CYS 28 23.667 25.814 24.758 201 H GLN 29 H GLN 29 25.088 30.051 24.305 202 HA GLN 29 HA GLN 29 24.513 30.508 27.060 203 HB2 GLN 29 HB2 GLN 29 24.974 32.358 24.694 204 HB3 GLN 29 HB3 GLN 29 24.770 32.960 26.327 205 HG2 GLN 29 HG2 GLN 29 26.922 30.906 25.694 206 HG3 GLN 29 HG3 GLN 29 27.177 32.623 25.422 207 HE21 GLN 29 HE21 GLN 29 27.643 33.324 28.893 208 HE22 GLN 29 HE22 GLN 29 27.550 34.002 27.243 209 H CYS 30 H CYS 30 22.871 31.303 28.169 210 HA CYS 30 HA CYS 30 20.255 31.027 26.957 211 HB2 CYS 30 HB2 CYS 30 20.990 31.692 29.811 212 HB3 CYS 30 HB3 CYS 30 19.434 31.107 29.214 213 H TYR 31 H TYR 31 18.475 32.501 27.243 214 HA TYR 31 HA TYR 31 19.125 35.336 26.803 215 HB2 TYR 31 HB2 TYR 31 16.513 33.799 26.760 216 HB3 TYR 31 HB3 TYR 31 16.683 35.499 26.366 217 HD1 TYR 31 HD1 TYR 31 19.585 34.337 24.845 218 HD2 TYR 31 HD2 TYR 31 15.297 33.968 24.499 219 HE1 TYR 31 HE1 TYR 31 19.808 33.903 22.415 220 HE2 TYR 31 HE2 TYR 31 15.539 33.499 22.076 221 HH TYR 31 HH TYR 31 16.986 33.286 20.295 Start of MODEL 14 1 H1 GLY 1 H1 GLY 1 28.798 14.909 19.011 2 H2 GLY 1 H2 GLY 1 30.243 14.671 19.761 3 H3 GLY 1 H3 GLY 1 30.187 15.343 18.251 4 HA2 GLY 1 HA2 GLY 1 29.091 16.569 20.690 5 HA3 GLY 1 HA3 GLY 1 30.629 17.019 19.924 6 H MET 2 H MET 2 28.315 18.713 20.390 7 HA MET 2 HA MET 2 28.119 19.716 17.608 8 HB2 MET 2 HB2 MET 2 25.769 19.535 19.520 9 HB3 MET 2 HB3 MET 2 25.810 20.565 18.087 10 HG2 MET 2 HG2 MET 2 26.287 18.502 16.708 11 HG3 MET 2 HG3 MET 2 25.928 17.536 18.140 12 HE1 MET 2 HE1 MET 2 22.130 18.144 18.727 13 HE2 MET 2 HE2 MET 2 23.612 17.304 19.238 14 HE3 MET 2 HE3 MET 2 23.444 19.057 19.495 15 H ALA 3 H ALA 3 28.548 21.854 17.400 16 HA ALA 3 HA ALA 3 29.431 23.435 19.642 17 HB1 ALA 3 HB1 ALA 3 28.761 24.187 16.770 18 HB2 ALA 3 HB2 ALA 3 29.640 25.211 17.929 19 HB3 ALA 3 HB3 ALA 3 30.338 23.674 17.390 20 H CYS 4 H CYS 4 26.243 22.848 18.498 21 HA CYS 4 HA CYS 4 25.166 24.727 20.528 22 HB2 CYS 4 HB2 CYS 4 25.173 25.953 18.422 23 HB3 CYS 4 HB3 CYS 4 24.359 24.631 17.611 24 H GLN 5 H GLN 5 24.752 22.905 21.793 25 HA GLN 5 HA GLN 5 23.036 20.692 20.973 26 HB2 GLN 5 HB2 GLN 5 24.162 21.661 23.620 27 HB3 GLN 5 HB3 GLN 5 23.130 20.244 23.523 28 HG2 GLN 5 HG2 GLN 5 25.635 20.445 21.827 29 HG3 GLN 5 HG3 GLN 5 25.677 19.916 23.507 30 HE21 GLN 5 HE21 GLN 5 25.455 16.717 21.898 31 HE22 GLN 5 HE22 GLN 5 26.639 17.973 22.221 32 H PHE 6 H PHE 6 21.538 22.702 20.174 33 HA PHE 6 HA PHE 6 20.102 24.267 21.920 34 HB2 PHE 6 HB2 PHE 6 20.228 24.577 19.504 35 HB3 PHE 6 HB3 PHE 6 19.247 23.143 19.237 36 HD1 PHE 6 HD1 PHE 6 17.005 23.534 18.677 37 HD2 PHE 6 HD2 PHE 6 19.037 26.359 21.231 38 HE1 PHE 6 HE1 PHE 6 14.958 24.939 18.760 39 HE2 PHE 6 HE2 PHE 6 16.988 27.749 21.319 40 HZ PHE 6 HZ PHE 6 14.938 27.038 20.095 41 H TRP 7 H TRP 7 19.520 20.851 21.698 42 HA TRP 7 HA TRP 7 16.652 21.146 22.480 43 HB2 TRP 7 HB2 TRP 7 18.180 18.681 21.668 44 HB3 TRP 7 HB3 TRP 7 16.456 18.784 21.993 45 HD1 TRP 7 HD1 TRP 7 14.910 19.820 20.145 46 HE1 TRP 7 HE1 TRP 7 15.219 20.658 17.748 47 HE3 TRP 7 HE3 TRP 7 20.028 19.775 19.944 48 HZ2 TRP 7 HZ2 TRP 7 17.423 21.301 15.983 49 HZ3 TRP 7 HZ3 TRP 7 21.207 20.673 17.955 50 HH2 TRP 7 HH2 TRP 7 19.921 21.413 15.966 51 H SER 8 H SER 8 19.613 19.501 23.701 52 HA SER 8 HA SER 8 18.331 19.039 26.301 53 HB2 SER 8 HB2 SER 8 20.182 17.612 25.321 54 HB3 SER 8 HB3 SER 8 21.304 18.922 25.758 55 HG SER 8 HG SER 8 21.019 17.278 27.393 56 H CYS 9 H CYS 9 20.390 21.569 24.871 57 HA CYS 9 HA CYS 9 20.833 23.166 27.181 58 HB2 CYS 9 HB2 CYS 9 21.919 23.409 24.985 59 HB3 CYS 9 HB3 CYS 9 20.377 23.908 24.282 60 H ASN 10 H ASN 10 17.927 23.028 24.967 61 HA ASN 10 HA ASN 10 16.393 25.028 26.329 62 HB2 ASN 10 HB2 ASN 10 16.053 22.885 24.281 63 HB3 ASN 10 HB3 ASN 10 14.680 23.060 25.300 64 HD21 ASN 10 HD21 ASN 10 15.604 26.309 22.956 65 HD22 ASN 10 HD22 ASN 10 16.915 25.556 23.840 66 H SER 11 H SER 11 16.439 21.421 26.651 67 HA SER 11 HA SER 11 14.487 21.320 28.704 68 HB2 SER 11 HB2 SER 11 15.219 19.450 27.200 69 HB3 SER 11 HB3 SER 11 16.755 19.379 28.075 70 HG SER 11 HG SER 11 14.230 18.463 28.776 71 H SER 12 H SER 12 17.957 21.720 28.961 72 HA SER 12 HA SER 12 18.101 21.572 31.872 73 HB2 SER 12 HB2 SER 12 20.038 21.039 30.542 74 HB3 SER 12 HB3 SER 12 19.995 22.617 29.739 75 HG SER 12 HG SER 12 21.511 22.273 31.551 76 H CYS 13 H CYS 13 18.556 24.376 29.655 77 HA CYS 13 HA CYS 13 18.551 26.166 31.891 78 HB2 CYS 13 HB2 CYS 13 18.614 26.595 28.898 79 HB3 CYS 13 HB3 CYS 13 18.712 27.906 30.067 80 H ILE 14 H ILE 14 15.838 25.201 29.747 81 HA ILE 14 HA ILE 14 14.122 27.389 30.654 82 HB ILE 14 HB ILE 14 13.468 24.681 29.434 83 HG12 ILE 14 HG12 ILE 14 13.425 27.463 28.169 84 HG13 ILE 14 HG13 ILE 14 14.803 26.385 28.035 85 HG21 ILE 14 HG21 ILE 14 11.622 27.073 29.825 86 HG22 ILE 14 HG22 ILE 14 11.226 25.585 28.951 87 HG23 ILE 14 HG23 ILE 14 11.502 25.519 30.678 88 HD11 ILE 14 HD11 ILE 14 12.052 25.915 26.870 89 HD12 ILE 14 HD12 ILE 14 13.600 26.148 26.049 90 HD13 ILE 14 HD13 ILE 14 13.311 24.658 26.963 91 H SER 15 H SER 15 14.961 24.159 31.850 92 HA SER 15 HA SER 15 12.908 24.114 33.887 93 HB2 SER 15 HB2 SER 15 15.341 22.347 33.573 94 HB3 SER 15 HB3 SER 15 13.924 22.055 34.610 95 HG SER 15 HG SER 15 14.233 21.695 31.920 96 H ARG 16 H ARG 16 16.449 24.800 33.976 97 HA ARG 16 HA ARG 16 16.375 25.516 36.815 98 HB2 ARG 16 HB2 ARG 16 18.447 25.496 34.623 99 HB3 ARG 16 HB3 ARG 16 18.718 26.534 36.014 100 HG2 ARG 16 HG2 ARG 16 19.819 24.418 36.325 101 HG3 ARG 16 HG3 ARG 16 18.605 24.679 37.568 102 HD2 ARG 16 HD2 ARG 16 18.079 22.987 35.092 103 HD3 ARG 16 HD3 ARG 16 18.831 22.339 36.558 104 HE ARG 16 HE ARG 16 16.424 23.633 37.335 105 HH11 ARG 16 HH11 ARG 16 17.310 20.734 35.539 106 HH12 ARG 16 HH12 ARG 16 15.732 20.016 35.903 107 HH21 ARG 16 HH21 ARG 16 14.589 22.563 37.813 108 HH22 ARG 16 HH22 ARG 16 14.295 20.991 37.090 109 H GLY 17 H GLY 17 15.958 27.461 33.906 110 HA2 GLY 17 HA2 GLY 17 14.601 29.445 34.099 111 HA3 GLY 17 HA3 GLY 17 15.246 29.745 35.707 112 H TYR 18 H TYR 18 16.145 29.639 32.264 113 HA TYR 18 HA TYR 18 17.668 32.165 32.557 114 HB2 TYR 18 HB2 TYR 18 18.739 29.671 31.208 115 HB3 TYR 18 HB3 TYR 18 19.460 31.258 31.085 116 HD1 TYR 18 HD1 TYR 18 18.923 28.340 33.264 117 HD2 TYR 18 HD2 TYR 18 20.717 32.252 32.937 118 HE1 TYR 18 HE1 TYR 18 20.386 27.848 35.226 119 HE2 TYR 18 HE2 TYR 18 22.137 31.768 34.933 120 HH TYR 18 HH TYR 18 21.890 28.676 36.711 121 H ARG 19 H ARG 19 17.928 33.313 30.644 122 HA ARG 19 HA ARG 19 15.799 33.044 28.608 123 HB2 ARG 19 HB2 ARG 19 17.904 35.139 29.260 124 HB3 ARG 19 HB3 ARG 19 16.838 35.257 27.868 125 HG2 ARG 19 HG2 ARG 19 16.133 36.623 29.698 126 HG3 ARG 19 HG3 ARG 19 14.883 35.486 29.230 127 HD2 ARG 19 HD2 ARG 19 16.682 34.991 31.635 128 HD3 ARG 19 HD3 ARG 19 15.273 36.060 31.721 129 HE ARG 19 HE ARG 19 14.373 33.641 30.594 130 HH11 ARG 19 HH11 ARG 19 15.304 34.827 33.792 131 HH12 ARG 19 HH12 ARG 19 14.501 33.472 34.569 132 HH21 ARG 19 HH21 ARG 19 13.162 32.310 31.604 133 HH22 ARG 19 HH22 ARG 19 13.007 32.304 33.352 134 H GLN 20 H GLN 20 17.221 30.888 28.324 135 HA GLN 20 HA GLN 20 19.576 30.995 26.619 136 HB2 GLN 20 HB2 GLN 20 19.393 29.249 28.100 137 HB3 GLN 20 HB3 GLN 20 17.749 28.871 27.750 138 HG2 GLN 20 HG2 GLN 20 19.937 28.512 25.677 139 HG3 GLN 20 HG3 GLN 20 19.592 27.296 26.911 140 HE21 GLN 20 HE21 GLN 20 16.142 27.264 25.035 141 HE22 GLN 20 HE22 GLN 20 16.472 28.283 26.428 142 H GLY 21 H GLY 21 19.817 30.314 24.483 143 HA2 GLY 21 HA2 GLY 21 18.126 29.195 22.741 144 HA3 GLY 21 HA3 GLY 21 17.562 30.871 22.646 145 H LYS 22 H LYS 22 19.999 32.233 22.863 146 HA LYS 22 HA LYS 22 20.901 31.970 20.113 147 HB2 LYS 22 HB2 LYS 22 21.425 33.921 22.342 148 HB3 LYS 22 HB3 LYS 22 22.530 33.903 20.991 149 HG2 LYS 22 HG2 LYS 22 19.550 34.149 20.475 150 HG3 LYS 22 HG3 LYS 22 20.496 35.531 21.017 151 HD2 LYS 22 HD2 LYS 22 20.408 35.682 18.655 152 HD3 LYS 22 HD3 LYS 22 22.058 35.239 19.089 153 HE2 LYS 22 HE2 LYS 22 21.528 32.855 18.530 154 HE3 LYS 22 HE3 LYS 22 19.890 33.348 18.068 155 HZ1 LYS 22 HZ1 LYS 22 21.243 33.218 16.127 156 HZ2 LYS 22 HZ2 LYS 22 21.003 34.821 16.390 157 HZ3 LYS 22 HZ3 LYS 22 22.440 34.130 16.791 158 H CYS 23 H CYS 23 22.284 30.632 19.429 159 HA CYS 23 HA CYS 23 24.686 29.785 20.968 160 HB2 CYS 23 HB2 CYS 23 23.348 28.923 18.387 161 HB3 CYS 23 HB3 CYS 23 24.937 28.346 18.870 162 H TRP 24 H TRP 24 26.811 29.869 19.679 163 HA TRP 24 HA TRP 24 27.048 32.277 17.948 164 HB2 TRP 24 HB2 TRP 24 28.456 32.026 20.623 165 HB3 TRP 24 HB3 TRP 24 28.748 33.292 19.428 166 HD1 TRP 24 HD1 TRP 24 26.506 32.371 22.246 167 HE1 TRP 24 HE1 TRP 24 24.787 34.220 22.677 168 HE3 TRP 24 HE3 TRP 24 27.275 35.201 18.044 169 HZ2 TRP 24 HZ2 TRP 24 23.648 36.445 21.229 170 HZ3 TRP 24 HZ3 TRP 24 25.789 37.127 17.543 171 HH2 TRP 24 HH2 TRP 24 23.954 37.741 19.115 172 H GLY 25 H GLY 25 27.547 29.424 17.427 173 HA2 GLY 25 HA2 GLY 25 29.078 28.136 16.296 174 HA3 GLY 25 HA3 GLY 25 30.069 29.579 16.058 175 H LYS 26 H LYS 26 29.245 28.557 19.329 176 HA LYS 26 HA LYS 26 31.827 27.158 19.755 177 HB2 LYS 26 HB2 LYS 26 32.424 28.750 21.581 178 HB3 LYS 26 HB3 LYS 26 32.448 29.422 19.954 179 HG2 LYS 26 HG2 LYS 26 30.134 30.412 20.399 180 HG3 LYS 26 HG3 LYS 26 30.264 29.822 22.053 181 HD2 LYS 26 HD2 LYS 26 30.772 32.163 21.876 182 HD3 LYS 26 HD3 LYS 26 32.175 31.238 22.454 183 HE2 LYS 26 HE2 LYS 26 33.085 31.303 20.092 184 HE3 LYS 26 HE3 LYS 26 31.723 32.345 19.639 185 HZ1 LYS 26 HZ1 LYS 26 32.532 33.958 21.279 186 HZ2 LYS 26 HZ2 LYS 26 33.768 32.973 21.696 187 HZ3 LYS 26 HZ3 LYS 26 33.702 33.640 20.175 188 H TYR 27 H TYR 27 28.712 28.189 21.308 189 HA TYR 27 HA TYR 27 28.378 25.696 22.690 190 HB2 TYR 27 HB2 TYR 27 30.135 26.655 24.147 191 HB3 TYR 27 HB3 TYR 27 29.256 28.169 24.243 192 HD1 TYR 27 HD1 TYR 27 27.679 28.540 25.968 193 HD2 TYR 27 HD2 TYR 27 29.079 24.539 25.173 194 HE1 TYR 27 HE1 TYR 27 26.600 27.752 28.064 195 HE2 TYR 27 HE2 TYR 27 28.020 23.759 27.296 196 HH TYR 27 HH TYR 27 26.285 26.006 29.483 197 H CYS 28 H CYS 28 26.193 25.542 23.378 198 HA CYS 28 HA CYS 28 24.354 27.680 22.679 199 HB2 CYS 28 HB2 CYS 28 23.755 25.341 22.410 200 HB3 CYS 28 HB3 CYS 28 23.905 25.063 24.139 201 H GLN 29 H GLN 29 25.160 29.411 23.801 202 HA GLN 29 HA GLN 29 25.362 29.607 26.601 203 HB2 GLN 29 HB2 GLN 29 24.867 31.697 24.457 204 HB3 GLN 29 HB3 GLN 29 25.001 32.112 26.165 205 HG2 GLN 29 HG2 GLN 29 27.243 30.954 26.226 206 HG3 GLN 29 HG3 GLN 29 27.134 30.720 24.478 207 HE21 GLN 29 HE21 GLN 29 27.481 34.650 25.748 208 HE22 GLN 29 HE22 GLN 29 26.591 33.529 26.777 209 H CYS 30 H CYS 30 24.172 30.143 28.252 210 HA CYS 30 HA CYS 30 21.239 30.605 27.924 211 HB2 CYS 30 HB2 CYS 30 22.706 29.334 30.266 212 HB3 CYS 30 HB3 CYS 30 20.963 29.612 30.146 213 H TYR 31 H TYR 31 20.301 32.355 29.179 214 HA TYR 31 HA TYR 31 22.334 34.383 30.038 215 HB2 TYR 31 HB2 TYR 31 19.921 34.688 28.246 216 HB3 TYR 31 HB3 TYR 31 20.763 36.039 28.970 217 HD1 TYR 31 HD1 TYR 31 23.099 36.557 28.413 218 HD2 TYR 31 HD2 TYR 31 20.918 33.453 26.353 219 HE1 TYR 31 HE1 TYR 31 24.797 36.570 26.596 220 HE2 TYR 31 HE2 TYR 31 22.650 33.442 24.551 221 HH TYR 31 HH TYR 31 25.541 35.533 24.730 Start of MODEL 15 1 H1 GLY 1 H1 GLY 1 29.461 25.976 12.931 2 H2 GLY 1 H2 GLY 1 29.998 27.512 13.121 3 H3 GLY 1 H3 GLY 1 29.646 26.944 11.619 4 HA2 GLY 1 HA2 GLY 1 27.907 28.429 12.431 5 HA3 GLY 1 HA3 GLY 1 27.321 26.773 12.154 6 H MET 2 H MET 2 25.888 26.283 13.727 7 HA MET 2 HA MET 2 26.124 27.378 16.451 8 HB2 MET 2 HB2 MET 2 24.112 25.603 15.027 9 HB3 MET 2 HB3 MET 2 24.021 25.919 16.761 10 HG2 MET 2 HG2 MET 2 23.866 28.311 16.401 11 HG3 MET 2 HG3 MET 2 24.087 28.111 14.657 12 HE1 MET 2 HE1 MET 2 20.340 29.359 15.275 13 HE2 MET 2 HE2 MET 2 21.717 29.680 16.360 14 HE3 MET 2 HE3 MET 2 21.931 29.800 14.592 15 H ALA 3 H ALA 3 26.671 24.223 14.908 16 HA ALA 3 HA ALA 3 27.275 22.195 15.696 17 HB1 ALA 3 HB1 ALA 3 29.317 23.536 15.385 18 HB2 ALA 3 HB2 ALA 3 29.293 23.967 17.108 19 HB3 ALA 3 HB3 ALA 3 29.529 22.277 16.612 20 H CYS 4 H CYS 4 25.051 22.844 17.294 21 HA CYS 4 HA CYS 4 25.270 21.234 19.634 22 HB2 CYS 4 HB2 CYS 4 26.400 22.779 20.803 23 HB3 CYS 4 HB3 CYS 4 25.919 24.109 19.820 24 H GLN 5 H GLN 5 23.269 20.518 19.993 25 HA GLN 5 HA GLN 5 21.273 21.207 18.096 26 HB2 GLN 5 HB2 GLN 5 20.058 19.365 18.800 27 HB3 GLN 5 HB3 GLN 5 21.736 18.905 18.796 28 HG2 GLN 5 HG2 GLN 5 20.174 19.613 21.329 29 HG3 GLN 5 HG3 GLN 5 20.276 17.997 20.658 30 HE21 GLN 5 HE21 GLN 5 23.380 17.294 22.175 31 HE22 GLN 5 HE22 GLN 5 22.039 16.683 21.203 32 H PHE 6 H PHE 6 19.337 22.103 18.109 33 HA PHE 6 HA PHE 6 18.856 24.324 19.619 34 HB2 PHE 6 HB2 PHE 6 17.861 23.908 17.450 35 HB3 PHE 6 HB3 PHE 6 16.876 22.614 18.078 36 HD1 PHE 6 HD1 PHE 6 15.060 23.276 19.954 37 HD2 PHE 6 HD2 PHE 6 16.847 25.996 17.132 38 HE1 PHE 6 HE1 PHE 6 13.271 24.905 20.400 39 HE2 PHE 6 HE2 PHE 6 15.008 27.612 17.544 40 HZ PHE 6 HZ PHE 6 13.263 27.097 19.225 41 H TRP 7 H TRP 7 17.127 21.236 20.147 42 HA TRP 7 HA TRP 7 15.365 22.287 22.135 43 HB2 TRP 7 HB2 TRP 7 14.803 19.845 22.486 44 HB3 TRP 7 HB3 TRP 7 14.593 20.486 20.871 45 HD1 TRP 7 HD1 TRP 7 16.327 17.731 22.686 46 HE1 TRP 7 HE1 TRP 7 17.778 16.332 21.090 47 HE3 TRP 7 HE3 TRP 7 15.971 20.669 18.528 48 HZ2 TRP 7 HZ2 TRP 7 18.680 16.497 18.343 49 HZ3 TRP 7 HZ3 TRP 7 17.260 20.123 16.487 50 HH2 TRP 7 HH2 TRP 7 18.575 18.011 16.357 51 H SER 8 H SER 8 18.238 20.167 22.520 52 HA SER 8 HA SER 8 17.928 19.889 25.339 53 HB2 SER 8 HB2 SER 8 20.519 19.612 23.789 54 HB3 SER 8 HB3 SER 8 20.081 18.847 25.331 55 HG SER 8 HG SER 8 18.392 17.741 24.203 56 H CYS 9 H CYS 9 19.942 22.182 23.413 57 HA CYS 9 HA CYS 9 21.088 23.491 25.680 58 HB2 CYS 9 HB2 CYS 9 22.017 23.736 23.476 59 HB3 CYS 9 HB3 CYS 9 20.520 24.419 22.845 60 H ASN 10 H ASN 10 17.896 24.048 23.989 61 HA ASN 10 HA ASN 10 17.281 26.394 25.544 62 HB2 ASN 10 HB2 ASN 10 15.886 26.453 23.822 63 HB3 ASN 10 HB3 ASN 10 16.170 24.806 23.386 64 HD21 ASN 10 HD21 ASN 10 13.318 23.411 24.782 65 HD22 ASN 10 HD22 ASN 10 14.996 23.081 24.543 66 H SER 11 H SER 11 16.572 22.915 25.974 67 HA SER 11 HA SER 11 14.954 23.237 28.312 68 HB2 SER 11 HB2 SER 11 14.930 21.195 26.924 69 HB3 SER 11 HB3 SER 11 16.598 20.840 27.414 70 HG SER 11 HG SER 11 14.236 20.913 29.002 71 H SER 12 H SER 12 18.503 22.760 27.921 72 HA SER 12 HA SER 12 19.030 22.500 30.723 73 HB2 SER 12 HB2 SER 12 20.625 21.903 28.868 74 HB3 SER 12 HB3 SER 12 20.922 23.640 28.643 75 HG SER 12 HG SER 12 21.422 21.981 30.895 76 H CYS 13 H CYS 13 18.962 25.431 28.637 77 HA CYS 13 HA CYS 13 19.630 27.275 30.737 78 HB2 CYS 13 HB2 CYS 13 18.161 27.571 28.101 79 HB3 CYS 13 HB3 CYS 13 18.533 28.935 29.143 80 H ILE 14 H ILE 14 16.402 26.190 29.533 81 HA ILE 14 HA ILE 14 14.823 27.602 31.444 82 HB ILE 14 HB ILE 14 14.392 25.015 29.920 83 HG12 ILE 14 HG12 ILE 14 13.086 27.736 29.483 84 HG13 ILE 14 HG13 ILE 14 14.610 27.324 28.724 85 HG21 ILE 14 HG21 ILE 14 12.355 26.572 31.577 86 HG22 ILE 14 HG22 ILE 14 11.961 25.255 30.456 87 HG23 ILE 14 HG23 ILE 14 12.920 24.916 31.887 88 HD11 ILE 14 HD11 ILE 14 13.566 25.368 27.592 89 HD12 ILE 14 HD12 ILE 14 11.993 25.842 28.280 90 HD13 ILE 14 HD13 ILE 14 12.830 26.922 27.157 91 H SER 15 H SER 15 16.430 24.421 31.689 92 HA SER 15 HA SER 15 15.423 23.725 34.267 93 HB2 SER 15 HB2 SER 15 18.068 22.894 33.018 94 HB3 SER 15 HB3 SER 15 17.262 22.119 34.390 95 HG SER 15 HG SER 15 16.277 22.380 31.733 96 H ARG 16 H ARG 16 18.156 25.822 33.377 97 HA ARG 16 HA ARG 16 19.069 26.294 36.128 98 HB2 ARG 16 HB2 ARG 16 19.627 27.425 33.415 99 HB3 ARG 16 HB3 ARG 16 19.610 28.622 34.693 100 HG2 ARG 16 HG2 ARG 16 21.821 27.981 34.433 101 HG3 ARG 16 HG3 ARG 16 21.280 27.335 35.973 102 HD2 ARG 16 HD2 ARG 16 22.694 25.705 34.826 103 HD3 ARG 16 HD3 ARG 16 21.052 25.092 34.968 104 HE ARG 16 HE ARG 16 20.899 24.981 32.698 105 HH11 ARG 16 HH11 ARG 16 23.425 27.471 33.132 106 HH12 ARG 16 HH12 ARG 16 23.835 27.334 31.433 107 HH21 ARG 16 HH21 ARG 16 21.836 24.700 30.760 108 HH22 ARG 16 HH22 ARG 16 23.006 25.827 30.175 109 H GLY 17 H GLY 17 17.053 28.150 33.873 110 HA2 GLY 17 HA2 GLY 17 14.933 29.070 35.199 111 HA3 GLY 17 HA3 GLY 17 16.184 29.992 36.032 112 H TYR 18 H TYR 18 17.022 29.587 32.702 113 HA TYR 18 HA TYR 18 16.244 32.400 32.120 114 HB2 TYR 18 HB2 TYR 18 18.008 30.455 30.616 115 HB3 TYR 18 HB3 TYR 18 17.748 32.137 30.199 116 HD1 TYR 18 HD1 TYR 18 18.872 33.940 31.422 117 HD2 TYR 18 HD2 TYR 18 19.377 29.814 32.558 118 HE1 TYR 18 HE1 TYR 18 20.760 34.584 32.906 119 HE2 TYR 18 HE2 TYR 18 21.257 30.458 34.057 120 HH TYR 18 HH TYR 18 22.464 32.156 34.930 121 H ARG 19 H ARG 19 14.842 32.931 30.398 122 HA ARG 19 HA ARG 19 12.911 30.844 29.694 123 HB2 ARG 19 HB2 ARG 19 13.172 33.787 29.004 124 HB3 ARG 19 HB3 ARG 19 12.056 32.767 28.128 125 HG2 ARG 19 HG2 ARG 19 10.840 33.874 29.852 126 HG3 ARG 19 HG3 ARG 19 10.880 32.147 30.163 127 HD2 ARG 19 HD2 ARG 19 11.092 33.297 32.223 128 HD3 ARG 19 HD3 ARG 19 12.635 32.511 31.901 129 HE ARG 19 HE ARG 19 13.274 34.920 30.971 130 HH11 ARG 19 HH11 ARG 19 11.252 34.408 33.833 131 HH12 ARG 19 HH12 ARG 19 11.830 35.892 34.555 132 HH21 ARG 19 HH21 ARG 19 13.869 36.762 31.922 133 HH22 ARG 19 HH22 ARG 19 13.283 37.180 33.514 134 H GLN 20 H GLN 20 15.796 32.007 28.085 135 HA GLN 20 HA GLN 20 15.194 30.143 25.844 136 HB2 GLN 20 HB2 GLN 20 14.567 32.436 25.213 137 HB3 GLN 20 HB3 GLN 20 16.215 32.998 25.554 138 HG2 GLN 20 HG2 GLN 20 17.110 31.853 23.671 139 HG3 GLN 20 HG3 GLN 20 15.749 30.743 23.606 140 HE21 GLN 20 HE21 GLN 20 14.536 32.587 20.881 141 HE22 GLN 20 HE22 GLN 20 15.141 31.043 21.486 142 H GLY 21 H GLY 21 16.983 29.309 24.685 143 HA2 GLY 21 HA2 GLY 21 19.720 29.838 25.689 144 HA3 GLY 21 HA3 GLY 21 19.138 28.174 25.724 145 H LYS 22 H LYS 22 21.271 29.720 24.096 146 HA LYS 22 HA LYS 22 20.627 28.511 21.476 147 HB2 LYS 22 HB2 LYS 22 19.783 30.996 21.577 148 HB3 LYS 22 HB3 LYS 22 21.483 31.420 21.583 149 HG2 LYS 22 HG2 LYS 22 21.134 31.556 19.352 150 HG3 LYS 22 HG3 LYS 22 21.499 29.840 19.388 151 HD2 LYS 22 HD2 LYS 22 18.779 31.190 19.292 152 HD3 LYS 22 HD3 LYS 22 19.535 30.188 18.038 153 HE2 LYS 22 HE2 LYS 22 19.446 28.296 19.855 154 HE3 LYS 22 HE3 LYS 22 18.317 29.357 20.695 155 HZ1 LYS 22 HZ1 LYS 22 17.987 28.183 17.995 156 HZ2 LYS 22 HZ2 LYS 22 17.117 27.853 19.351 157 HZ3 LYS 22 HZ3 LYS 22 16.967 29.323 18.617 158 H CYS 23 H CYS 23 22.275 27.906 20.267 159 HA CYS 23 HA CYS 23 24.931 27.692 21.520 160 HB2 CYS 23 HB2 CYS 23 23.834 26.507 18.965 161 HB3 CYS 23 HB3 CYS 23 25.253 25.993 19.851 162 H TRP 24 H TRP 24 26.870 27.952 20.248 163 HA TRP 24 HA TRP 24 26.798 29.838 17.931 164 HB2 TRP 24 HB2 TRP 24 28.235 30.392 20.556 165 HB3 TRP 24 HB3 TRP 24 28.257 31.418 19.126 166 HD1 TRP 24 HD1 TRP 24 26.191 30.592 22.180 167 HE1 TRP 24 HE1 TRP 24 24.203 32.205 22.380 168 HE3 TRP 24 HE3 TRP 24 26.586 32.951 17.652 169 HZ2 TRP 24 HZ2 TRP 24 22.871 34.162 20.742 170 HZ3 TRP 24 HZ3 TRP 24 24.944 34.698 17.000 171 HH2 TRP 24 HH2 TRP 24 23.080 35.294 18.523 172 H GLY 25 H GLY 25 27.990 26.976 18.881 173 HA2 GLY 25 HA2 GLY 25 29.858 25.725 18.380 174 HA3 GLY 25 HA3 GLY 25 30.546 27.086 17.479 175 H LYS 26 H LYS 26 29.676 28.221 20.440 176 HA LYS 26 HA LYS 26 32.444 28.151 21.556 177 HB2 LYS 26 HB2 LYS 26 30.315 30.315 21.546 178 HB3 LYS 26 HB3 LYS 26 31.853 30.425 22.408 179 HG2 LYS 26 HG2 LYS 26 33.127 30.274 20.378 180 HG3 LYS 26 HG3 LYS 26 31.733 29.840 19.418 181 HD2 LYS 26 HD2 LYS 26 32.269 32.079 18.913 182 HD3 LYS 26 HD3 LYS 26 30.712 32.020 19.748 183 HE2 LYS 26 HE2 LYS 26 31.779 32.760 21.825 184 HE3 LYS 26 HE3 LYS 26 33.368 32.768 21.053 185 HZ1 LYS 26 HZ1 LYS 26 31.128 34.389 19.964 186 HZ2 LYS 26 HZ2 LYS 26 32.106 35.021 21.112 187 HZ3 LYS 26 HZ3 LYS 26 32.701 34.590 19.659 188 H TYR 27 H TYR 27 29.100 28.744 22.797 189 HA TYR 27 HA TYR 27 29.248 26.618 24.753 190 HB2 TYR 27 HB2 TYR 27 29.366 29.536 25.564 191 HB3 TYR 27 HB3 TYR 27 28.556 28.366 26.574 192 HD1 TYR 27 HD1 TYR 27 31.839 29.604 25.475 193 HD2 TYR 27 HD2 TYR 27 29.768 26.582 27.753 194 HE1 TYR 27 HE1 TYR 27 33.948 29.086 26.709 195 HE2 TYR 27 HE2 TYR 27 31.867 26.064 28.971 196 HH TYR 27 HH TYR 27 34.971 27.691 28.280 197 H CYS 28 H CYS 28 27.080 26.255 25.670 198 HA CYS 28 HA CYS 28 24.839 27.328 24.063 199 HB2 CYS 28 HB2 CYS 28 24.677 25.013 24.557 200 HB3 CYS 28 HB3 CYS 28 25.087 25.269 26.244 201 H GLN 29 H GLN 29 25.039 29.475 24.507 202 HA GLN 29 HA GLN 29 25.003 30.672 27.144 203 HB2 GLN 29 HB2 GLN 29 24.382 31.753 24.374 204 HB3 GLN 29 HB3 GLN 29 24.537 32.762 25.814 205 HG2 GLN 29 HG2 GLN 29 26.764 31.019 24.643 206 HG3 GLN 29 HG3 GLN 29 26.573 32.746 24.393 207 HE21 GLN 29 HE21 GLN 29 27.517 33.512 27.848 208 HE22 GLN 29 HE22 GLN 29 26.109 33.860 26.849 209 H CYS 30 H CYS 30 23.346 31.731 28.236 210 HA CYS 30 HA CYS 30 20.552 31.023 27.431 211 HB2 CYS 30 HB2 CYS 30 21.640 31.299 30.238 212 HB3 CYS 30 HB3 CYS 30 20.036 30.770 29.741 213 H TYR 31 H TYR 31 18.837 32.425 28.021 214 HA TYR 31 HA TYR 31 19.525 35.270 28.566 215 HB2 TYR 31 HB2 TYR 31 17.952 34.359 26.145 216 HB3 TYR 31 HB3 TYR 31 18.437 35.993 26.543 217 HD1 TYR 31 HD1 TYR 31 19.531 32.734 25.202 218 HD2 TYR 31 HD2 TYR 31 20.776 36.747 26.165 219 HE1 TYR 31 HE1 TYR 31 21.636 32.396 23.896 220 HE2 TYR 31 HE2 TYR 31 22.854 36.428 24.821 221 HH TYR 31 HH TYR 31 24.097 34.963 23.549 Start of MODEL 16 1 H1 GLY 1 H1 GLY 1 28.993 15.811 16.680 2 H2 GLY 1 H2 GLY 1 27.580 15.376 15.957 3 H3 GLY 1 H3 GLY 1 28.802 14.276 16.086 4 HA2 GLY 1 HA2 GLY 1 27.170 13.743 17.707 5 HA3 GLY 1 HA3 GLY 1 28.644 14.344 18.502 6 H MET 2 H MET 2 27.611 15.214 20.358 7 HA MET 2 HA MET 2 25.365 17.003 20.200 8 HB2 MET 2 HB2 MET 2 27.495 16.600 22.322 9 HB3 MET 2 HB3 MET 2 26.192 17.781 22.489 10 HG2 MET 2 HG2 MET 2 25.731 14.820 21.959 11 HG3 MET 2 HG3 MET 2 25.695 15.565 23.555 12 HE1 MET 2 HE1 MET 2 23.333 14.328 23.800 13 HE2 MET 2 HE2 MET 2 21.941 14.639 22.730 14 HE3 MET 2 HE3 MET 2 23.372 13.786 22.103 15 H ALA 3 H ALA 3 25.204 18.944 19.479 16 HA ALA 3 HA ALA 3 27.472 20.819 19.222 17 HB1 ALA 3 HB1 ALA 3 25.972 19.612 16.848 18 HB2 ALA 3 HB2 ALA 3 27.145 20.942 16.760 19 HB3 ALA 3 HB3 ALA 3 27.674 19.325 17.268 20 H CYS 4 H CYS 4 25.799 21.516 20.920 21 HA CYS 4 HA CYS 4 24.209 22.967 21.618 22 HB2 CYS 4 HB2 CYS 4 26.052 24.236 20.509 23 HB3 CYS 4 HB3 CYS 4 25.025 24.410 19.086 24 H GLN 5 H GLN 5 22.863 20.839 20.392 25 HA GLN 5 HA GLN 5 20.890 21.766 18.479 26 HB2 GLN 5 HB2 GLN 5 20.967 19.266 20.217 27 HB3 GLN 5 HB3 GLN 5 19.752 19.624 19.002 28 HG2 GLN 5 HG2 GLN 5 21.081 18.411 17.658 29 HG3 GLN 5 HG3 GLN 5 21.862 19.963 17.396 30 HE21 GLN 5 HE21 GLN 5 24.587 17.520 17.887 31 HE22 GLN 5 HE22 GLN 5 23.473 18.112 16.669 32 H PHE 6 H PHE 6 18.772 22.323 18.717 33 HA PHE 6 HA PHE 6 18.222 24.162 20.664 34 HB2 PHE 6 HB2 PHE 6 17.062 24.334 18.663 35 HB3 PHE 6 HB3 PHE 6 16.536 22.656 18.687 36 HD1 PHE 6 HD1 PHE 6 16.096 25.709 20.893 37 HD2 PHE 6 HD2 PHE 6 14.278 22.289 18.981 38 HE1 PHE 6 HE1 PHE 6 13.886 26.344 21.834 39 HE2 PHE 6 HE2 PHE 6 12.074 22.945 19.907 40 HZ PHE 6 HZ PHE 6 11.876 24.971 21.339 41 H TRP 7 H TRP 7 16.629 20.940 20.604 42 HA TRP 7 HA TRP 7 15.095 21.244 22.912 43 HB2 TRP 7 HB2 TRP 7 16.378 18.646 21.994 44 HB3 TRP 7 HB3 TRP 7 14.906 18.820 22.940 45 HD1 TRP 7 HD1 TRP 7 12.695 18.946 21.609 46 HE1 TRP 7 HE1 TRP 7 12.022 19.139 19.135 47 HE3 TRP 7 HE3 TRP 7 17.347 19.532 19.533 48 HZ2 TRP 7 HZ2 TRP 7 13.310 19.715 16.623 49 HZ3 TRP 7 HZ3 TRP 7 17.580 20.059 17.123 50 HH2 TRP 7 HH2 TRP 7 15.575 20.144 15.659 51 H SER 8 H SER 8 18.445 20.200 22.666 52 HA SER 8 HA SER 8 18.800 19.470 25.456 53 HB2 SER 8 HB2 SER 8 20.710 19.913 23.127 54 HB3 SER 8 HB3 SER 8 21.259 19.519 24.764 55 HG SER 8 HG SER 8 19.661 17.967 23.004 56 H CYS 9 H CYS 9 19.758 22.349 23.468 57 HA CYS 9 HA CYS 9 20.855 23.796 25.670 58 HB2 CYS 9 HB2 CYS 9 21.325 24.446 23.409 59 HB3 CYS 9 HB3 CYS 9 19.619 24.768 23.069 60 H ASN 10 H ASN 10 17.414 23.858 24.367 61 HA ASN 10 HA ASN 10 16.372 25.593 26.283 62 HB2 ASN 10 HB2 ASN 10 15.429 23.787 24.213 63 HB3 ASN 10 HB3 ASN 10 14.561 23.397 25.673 64 HD21 ASN 10 HD21 ASN 10 14.203 27.318 24.670 65 HD22 ASN 10 HD22 ASN 10 15.765 26.587 24.477 66 H SER 11 H SER 11 16.803 21.988 26.603 67 HA SER 11 HA SER 11 15.641 21.956 29.215 68 HB2 SER 11 HB2 SER 11 15.910 19.913 27.885 69 HB3 SER 11 HB3 SER 11 17.677 20.051 27.999 70 HG SER 11 HG SER 11 15.832 19.794 30.156 71 H SER 12 H SER 12 19.022 22.417 28.192 72 HA SER 12 HA SER 12 20.120 22.424 30.855 73 HB2 SER 12 HB2 SER 12 21.346 21.994 28.712 74 HB3 SER 12 HB3 SER 12 21.289 23.734 28.379 75 HG SER 12 HG SER 12 23.002 22.365 29.851 76 H CYS 13 H CYS 13 18.821 25.049 28.826 77 HA CYS 13 HA CYS 13 19.433 27.184 30.716 78 HB2 CYS 13 HB2 CYS 13 17.644 26.925 28.280 79 HB3 CYS 13 HB3 CYS 13 17.770 28.397 29.180 80 H ILE 14 H ILE 14 16.425 25.357 29.945 81 HA ILE 14 HA ILE 14 14.759 26.738 31.831 82 HB ILE 14 HB ILE 14 14.439 24.136 30.332 83 HG12 ILE 14 HG12 ILE 14 13.070 26.809 29.872 84 HG13 ILE 14 HG13 ILE 14 14.596 26.404 29.081 85 HG21 ILE 14 HG21 ILE 14 12.356 25.622 31.941 86 HG22 ILE 14 HG22 ILE 14 12.008 24.294 30.824 87 HG23 ILE 14 HG23 ILE 14 12.969 23.985 32.274 88 HD11 ILE 14 HD11 ILE 14 13.495 24.420 28.023 89 HD12 ILE 14 HD12 ILE 14 11.936 25.025 28.627 90 HD13 ILE 14 HD13 ILE 14 12.917 25.999 27.509 91 H SER 15 H SER 15 16.812 23.847 32.163 92 HA SER 15 HA SER 15 15.944 23.193 34.824 93 HB2 SER 15 HB2 SER 15 18.621 22.665 33.501 94 HB3 SER 15 HB3 SER 15 18.051 21.946 35.026 95 HG SER 15 HG SER 15 17.045 21.616 32.396 96 H ARG 16 H ARG 16 17.726 25.930 33.735 97 HA ARG 16 HA ARG 16 18.711 26.563 36.489 98 HB2 ARG 16 HB2 ARG 16 19.618 27.195 33.726 99 HB3 ARG 16 HB3 ARG 16 19.519 28.605 34.764 100 HG2 ARG 16 HG2 ARG 16 21.734 27.585 34.811 101 HG3 ARG 16 HG3 ARG 16 20.963 27.656 36.398 102 HD2 ARG 16 HD2 ARG 16 22.134 25.600 36.205 103 HD3 ARG 16 HD3 ARG 16 20.412 25.229 36.237 104 HE ARG 16 HE ARG 16 21.058 25.351 33.519 105 HH11 ARG 16 HH11 ARG 16 22.281 23.455 36.228 106 HH12 ARG 16 HH12 ARG 16 22.795 22.148 35.172 107 HH21 ARG 16 HH21 ARG 16 21.698 23.696 32.293 108 HH22 ARG 16 HH22 ARG 16 22.586 22.335 32.963 109 H GLY 17 H GLY 17 16.997 28.239 33.846 110 HA2 GLY 17 HA2 GLY 17 14.824 29.352 35.092 111 HA3 GLY 17 HA3 GLY 17 16.141 30.328 35.738 112 H TYR 18 H TYR 18 15.940 29.035 32.400 113 HA TYR 18 HA TYR 18 15.294 31.705 31.295 114 HB2 TYR 18 HB2 TYR 18 17.625 30.011 30.385 115 HB3 TYR 18 HB3 TYR 18 17.103 31.513 29.653 116 HD1 TYR 18 HD1 TYR 18 18.877 29.909 32.473 117 HD2 TYR 18 HD2 TYR 18 17.818 33.634 30.580 118 HE1 TYR 18 HE1 TYR 18 20.763 31.041 33.642 119 HE2 TYR 18 HE2 TYR 18 19.739 34.748 31.693 120 HH TYR 18 HH TYR 18 21.817 34.239 32.711 121 H ARG 19 H ARG 19 14.413 31.558 29.163 122 HA ARG 19 HA ARG 19 13.147 28.900 28.546 123 HB2 ARG 19 HB2 ARG 19 12.422 31.701 27.559 124 HB3 ARG 19 HB3 ARG 19 11.563 30.231 27.245 125 HG2 ARG 19 HG2 ARG 19 10.302 31.322 28.883 126 HG3 ARG 19 HG3 ARG 19 11.102 29.978 29.701 127 HD2 ARG 19 HD2 ARG 19 11.037 32.030 31.070 128 HD3 ARG 19 HD3 ARG 19 12.667 31.510 30.800 129 HE ARG 19 HE ARG 19 13.044 33.359 29.310 130 HH11 ARG 19 HH11 ARG 19 9.842 33.641 30.808 131 HH12 ARG 19 HH12 ARG 19 9.715 35.306 30.269 132 HH21 ARG 19 HH21 ARG 19 12.726 35.393 28.686 133 HH22 ARG 19 HH22 ARG 19 11.172 36.169 28.938 134 H GLN 20 H GLN 20 15.415 31.204 27.258 135 HA GLN 20 HA GLN 20 15.675 29.648 24.705 136 HB2 GLN 20 HB2 GLN 20 14.286 31.607 24.329 137 HB3 GLN 20 HB3 GLN 20 15.434 32.656 25.101 138 HG2 GLN 20 HG2 GLN 20 17.084 32.314 23.327 139 HG3 GLN 20 HG3 GLN 20 16.033 31.087 22.566 140 HE21 GLN 20 HE21 GLN 20 13.781 33.583 21.211 141 HE22 GLN 20 HE22 GLN 20 13.767 31.945 21.857 142 H GLY 21 H GLY 21 17.692 29.403 23.903 143 HA2 GLY 21 HA2 GLY 21 19.888 31.116 24.888 144 HA3 GLY 21 HA3 GLY 21 20.120 29.367 24.955 145 H LYS 22 H LYS 22 21.690 31.261 23.505 146 HA LYS 22 HA LYS 22 21.271 30.339 20.682 147 HB2 LYS 22 HB2 LYS 22 22.369 33.036 21.521 148 HB3 LYS 22 HB3 LYS 22 22.335 32.440 19.890 149 HG2 LYS 22 HG2 LYS 22 19.767 32.862 21.486 150 HG3 LYS 22 HG3 LYS 22 20.593 34.156 20.632 151 HD2 LYS 22 HD2 LYS 22 19.001 33.490 19.096 152 HD3 LYS 22 HD3 LYS 22 20.475 32.714 18.516 153 HE2 LYS 22 HE2 LYS 22 19.704 30.587 19.684 154 HE3 LYS 22 HE3 LYS 22 18.200 31.427 20.091 155 HZ1 LYS 22 HZ1 LYS 22 17.828 30.239 18.104 156 HZ2 LYS 22 HZ2 LYS 22 17.958 31.801 17.630 157 HZ3 LYS 22 HZ3 LYS 22 19.218 30.791 17.381 158 H CYS 23 H CYS 23 22.865 29.549 19.625 159 HA CYS 23 HA CYS 23 25.341 28.746 20.940 160 HB2 CYS 23 HB2 CYS 23 24.511 28.566 18.026 161 HB3 CYS 23 HB3 CYS 23 25.751 27.611 18.819 162 H TRP 24 H TRP 24 27.425 29.350 20.352 163 HA TRP 24 HA TRP 24 27.814 31.591 18.438 164 HB2 TRP 24 HB2 TRP 24 28.791 31.671 21.310 165 HB3 TRP 24 HB3 TRP 24 29.291 32.788 20.035 166 HD1 TRP 24 HD1 TRP 24 26.632 32.344 22.581 167 HE1 TRP 24 HE1 TRP 24 24.826 34.177 22.338 168 HE3 TRP 24 HE3 TRP 24 27.940 34.169 17.991 169 HZ2 TRP 24 HZ2 TRP 24 23.975 36.053 20.340 170 HZ3 TRP 24 HZ3 TRP 24 26.577 35.942 16.907 171 HH2 TRP 24 HH2 TRP 24 24.597 36.895 18.073 172 H GLY 25 H GLY 25 28.575 28.580 18.878 173 HA2 GLY 25 HA2 GLY 25 30.255 27.307 17.873 174 HA3 GLY 25 HA3 GLY 25 31.290 28.731 17.721 175 H LYS 26 H LYS 26 29.909 28.270 20.849 176 HA LYS 26 HA LYS 26 32.254 26.858 21.980 177 HB2 LYS 26 HB2 LYS 26 32.843 28.625 23.466 178 HB3 LYS 26 HB3 LYS 26 32.950 29.182 21.802 179 HG2 LYS 26 HG2 LYS 26 30.643 30.258 22.115 180 HG3 LYS 26 HG3 LYS 26 30.796 29.892 23.844 181 HD2 LYS 26 HD2 LYS 26 32.715 31.564 22.203 182 HD3 LYS 26 HD3 LYS 26 31.479 32.197 23.308 183 HE2 LYS 26 HE2 LYS 26 32.574 31.019 25.196 184 HE3 LYS 26 HE3 LYS 26 33.794 30.372 24.096 185 HZ1 LYS 26 HZ1 LYS 26 34.514 32.643 23.637 186 HZ2 LYS 26 HZ2 LYS 26 33.375 33.271 24.620 187 HZ3 LYS 26 HZ3 LYS 26 34.596 32.357 25.241 188 H TYR 27 H TYR 27 29.145 28.491 22.843 189 HA TYR 27 HA TYR 27 28.266 26.260 24.454 190 HB2 TYR 27 HB2 TYR 27 29.713 27.156 26.124 191 HB3 TYR 27 HB3 TYR 27 29.327 28.808 25.702 192 HD1 TYR 27 HD1 TYR 27 27.725 25.705 27.146 193 HD2 TYR 27 HD2 TYR 27 27.774 30.009 26.932 194 HE1 TYR 27 HE1 TYR 27 26.002 25.809 28.935 195 HE2 TYR 27 HE2 TYR 27 26.101 30.113 28.784 196 HH TYR 27 HH TYR 27 24.518 27.214 30.064 197 H CYS 28 H CYS 28 26.045 26.395 24.783 198 HA CYS 28 HA CYS 28 24.604 28.438 23.269 199 HB2 CYS 28 HB2 CYS 28 24.025 25.922 23.525 200 HB3 CYS 28 HB3 CYS 28 23.358 26.363 25.073 201 H GLN 29 H GLN 29 25.340 30.306 24.412 202 HA GLN 29 HA GLN 29 24.860 30.976 27.136 203 HB2 GLN 29 HB2 GLN 29 24.604 32.731 24.664 204 HB3 GLN 29 HB3 GLN 29 24.672 33.339 26.306 205 HG2 GLN 29 HG2 GLN 29 26.944 31.737 25.046 206 HG3 GLN 29 HG3 GLN 29 26.791 33.488 24.930 207 HE21 GLN 29 HE21 GLN 29 28.927 33.430 27.787 208 HE22 GLN 29 HE22 GLN 29 28.899 33.666 26.038 209 H CYS 30 H CYS 30 22.995 31.086 28.344 210 HA CYS 30 HA CYS 30 20.361 31.160 27.030 211 HB2 CYS 30 HB2 CYS 30 20.995 31.240 29.979 212 HB3 CYS 30 HB3 CYS 30 19.471 30.824 29.209 213 H TYR 31 H TYR 31 18.735 32.849 27.485 214 HA TYR 31 HA TYR 31 19.960 35.531 28.039 215 HB2 TYR 31 HB2 TYR 31 18.164 34.674 25.767 216 HB3 TYR 31 HB3 TYR 31 18.399 36.353 26.224 217 HD1 TYR 31 HD1 TYR 31 20.351 37.585 25.613 218 HD2 TYR 31 HD2 TYR 31 20.189 33.331 24.996 219 HE1 TYR 31 HE1 TYR 31 22.449 37.701 24.268 220 HE2 TYR 31 HE2 TYR 31 22.319 33.443 23.705 221 HH TYR 31 HH TYR 31 23.999 36.525 23.067 Start of MODEL 17 1 H1 GLY 1 H1 GLY 1 24.319 19.778 9.019 2 H2 GLY 1 H2 GLY 1 25.757 19.110 8.533 3 H3 GLY 1 H3 GLY 1 25.751 20.419 9.520 4 HA2 GLY 1 HA2 GLY 1 24.769 17.738 10.233 5 HA3 GLY 1 HA3 GLY 1 26.311 18.460 10.749 6 H MET 2 H MET 2 26.084 18.833 12.865 7 HA MET 2 HA MET 2 23.936 20.658 13.812 8 HB2 MET 2 HB2 MET 2 24.610 17.939 14.998 9 HB3 MET 2 HB3 MET 2 23.841 19.230 15.929 10 HG2 MET 2 HG2 MET 2 21.925 19.282 14.495 11 HG3 MET 2 HG3 MET 2 22.698 18.226 13.311 12 HE1 MET 2 HE1 MET 2 22.855 17.545 17.230 13 HE2 MET 2 HE2 MET 2 21.257 18.309 17.042 14 HE3 MET 2 HE3 MET 2 21.385 16.581 17.443 15 H ALA 3 H ALA 3 25.343 22.343 13.978 16 HA ALA 3 HA ALA 3 27.926 22.144 15.308 17 HB1 ALA 3 HB1 ALA 3 27.462 23.739 13.483 18 HB2 ALA 3 HB2 ALA 3 26.222 24.534 14.475 19 HB3 ALA 3 HB3 ALA 3 27.928 24.597 14.963 20 H CYS 4 H CYS 4 24.896 21.925 16.655 21 HA CYS 4 HA CYS 4 25.665 22.462 19.333 22 HB2 CYS 4 HB2 CYS 4 25.279 24.797 18.471 23 HB3 CYS 4 HB3 CYS 4 23.643 24.331 18.034 24 H GLN 5 H GLN 5 24.342 21.278 20.601 25 HA GLN 5 HA GLN 5 21.887 19.995 19.550 26 HB2 GLN 5 HB2 GLN 5 23.296 19.694 22.229 27 HB3 GLN 5 HB3 GLN 5 21.836 18.832 21.702 28 HG2 GLN 5 HG2 GLN 5 23.278 18.169 19.617 29 HG3 GLN 5 HG3 GLN 5 24.664 18.557 20.638 30 HE21 GLN 5 HE21 GLN 5 23.606 14.902 20.867 31 HE22 GLN 5 HE22 GLN 5 24.154 15.981 19.573 32 H PHE 6 H PHE 6 20.993 22.226 19.228 33 HA PHE 6 HA PHE 6 20.280 24.041 21.166 34 HB2 PHE 6 HB2 PHE 6 19.878 24.539 18.890 35 HB3 PHE 6 HB3 PHE 6 18.866 23.112 18.659 36 HD1 PHE 6 HD1 PHE 6 18.918 26.112 20.955 37 HD2 PHE 6 HD2 PHE 6 16.569 23.497 18.451 38 HE1 PHE 6 HE1 PHE 6 16.865 27.306 21.623 39 HE2 PHE 6 HE2 PHE 6 14.522 24.739 19.084 40 HZ PHE 6 HZ PHE 6 14.656 26.638 20.695 41 H TRP 7 H TRP 7 18.311 21.140 20.402 42 HA TRP 7 HA TRP 7 16.145 21.604 22.132 43 HB2 TRP 7 HB2 TRP 7 17.342 18.905 21.412 44 HB3 TRP 7 HB3 TRP 7 15.679 19.250 21.841 45 HD1 TRP 7 HD1 TRP 7 14.074 19.566 19.907 46 HE1 TRP 7 HE1 TRP 7 14.246 19.738 17.342 47 HE3 TRP 7 HE3 TRP 7 19.178 19.864 19.401 48 HZ2 TRP 7 HZ2 TRP 7 16.262 20.353 15.395 49 HZ3 TRP 7 HZ3 TRP 7 20.182 20.354 17.186 50 HH2 TRP 7 HH2 TRP 7 18.742 20.587 15.178 51 H SER 8 H SER 8 19.293 20.218 22.850 52 HA SER 8 HA SER 8 18.719 19.292 25.571 53 HB2 SER 8 HB2 SER 8 20.407 18.184 24.177 54 HB3 SER 8 HB3 SER 8 21.302 19.689 24.016 55 HG SER 8 HG SER 8 22.314 18.636 25.528 56 H CYS 9 H CYS 9 20.345 22.092 24.020 57 HA CYS 9 HA CYS 9 21.064 23.491 26.395 58 HB2 CYS 9 HB2 CYS 9 21.943 24.037 24.182 59 HB3 CYS 9 HB3 CYS 9 20.344 24.558 23.644 60 H ASN 10 H ASN 10 17.978 23.806 24.415 61 HA ASN 10 HA ASN 10 16.622 25.522 26.101 62 HB2 ASN 10 HB2 ASN 10 16.108 23.877 23.826 63 HB3 ASN 10 HB3 ASN 10 14.958 23.319 25.018 64 HD21 ASN 10 HD21 ASN 10 14.812 27.288 23.950 65 HD22 ASN 10 HD22 ASN 10 16.368 26.517 24.106 66 H SER 11 H SER 11 16.724 21.923 26.406 67 HA SER 11 HA SER 11 14.986 21.883 28.687 68 HB2 SER 11 HB2 SER 11 15.416 19.929 27.218 69 HB3 SER 11 HB3 SER 11 17.055 19.802 27.889 70 HG SER 11 HG SER 11 15.484 18.434 28.926 71 H SER 12 H SER 12 18.504 22.276 28.465 72 HA SER 12 HA SER 12 18.971 22.080 31.335 73 HB2 SER 12 HB2 SER 12 20.786 21.653 29.773 74 HB3 SER 12 HB3 SER 12 20.644 23.290 29.109 75 HG SER 12 HG SER 12 22.281 23.285 30.581 76 H CYS 13 H CYS 13 18.858 24.891 29.094 77 HA CYS 13 HA CYS 13 19.216 26.842 31.126 78 HB2 CYS 13 HB2 CYS 13 17.950 27.090 28.374 79 HB3 CYS 13 HB3 CYS 13 18.494 28.433 29.366 80 H ILE 14 H ILE 14 16.136 25.592 29.665 81 HA ILE 14 HA ILE 14 14.500 27.393 31.239 82 HB ILE 14 HB ILE 14 13.774 24.821 29.802 83 HG12 ILE 14 HG12 ILE 14 13.271 27.710 28.923 84 HG13 ILE 14 HG13 ILE 14 14.714 26.836 28.439 85 HG21 ILE 14 HG21 ILE 14 11.992 27.042 30.933 86 HG22 ILE 14 HG22 ILE 14 11.431 25.698 29.922 87 HG23 ILE 14 HG23 ILE 14 12.077 25.370 31.521 88 HD11 ILE 14 HD11 ILE 14 13.131 26.704 26.671 89 HD12 ILE 14 HD12 ILE 14 13.355 25.085 27.358 90 HD13 ILE 14 HD13 ILE 14 11.886 26.014 27.732 91 H SER 15 H SER 15 15.780 24.096 31.852 92 HA SER 15 HA SER 15 14.365 23.690 34.315 93 HB2 SER 15 HB2 SER 15 17.056 22.599 33.402 94 HB3 SER 15 HB3 SER 15 16.235 22.133 34.901 95 HG SER 15 HG SER 15 15.430 21.725 32.228 96 H ARG 16 H ARG 16 17.465 25.394 33.666 97 HA ARG 16 HA ARG 16 17.784 26.135 36.496 98 HB2 ARG 16 HB2 ARG 16 19.340 26.424 33.989 99 HB3 ARG 16 HB3 ARG 16 19.373 27.865 34.988 100 HG2 ARG 16 HG2 ARG 16 21.252 26.391 35.516 101 HG3 ARG 16 HG3 ARG 16 20.204 26.671 36.901 102 HD2 ARG 16 HD2 ARG 16 20.870 24.359 36.892 103 HD3 ARG 16 HD3 ARG 16 19.144 24.438 36.538 104 HE ARG 16 HE ARG 16 20.756 24.435 34.120 105 HH11 ARG 16 HH11 ARG 16 19.492 22.221 36.587 106 HH12 ARG 16 HH12 ARG 16 19.441 20.894 35.449 107 HH21 ARG 16 HH21 ARG 16 20.923 22.594 32.859 108 HH22 ARG 16 HH22 ARG 16 20.535 21.049 33.585 109 H GLY 17 H GLY 17 16.157 27.676 33.800 110 HA2 GLY 17 HA2 GLY 17 14.193 28.942 34.490 111 HA3 GLY 17 HA3 GLY 17 15.126 29.709 35.767 112 H TYR 18 H TYR 18 16.294 29.361 32.415 113 HA TYR 18 HA TYR 18 16.534 32.297 32.171 114 HB2 TYR 18 HB2 TYR 18 17.572 29.938 30.598 115 HB3 TYR 18 HB3 TYR 18 17.855 31.593 30.123 116 HD1 TYR 18 HD1 TYR 18 18.768 28.979 32.560 117 HD2 TYR 18 HD2 TYR 18 19.277 33.105 31.430 118 HE1 TYR 18 HE1 TYR 18 20.880 29.078 33.858 119 HE2 TYR 18 HE2 TYR 18 21.364 33.220 32.777 120 HH TYR 18 HH TYR 18 23.050 31.770 33.645 121 H ARG 19 H ARG 19 16.339 32.940 29.616 122 HA ARG 19 HA ARG 19 13.370 32.797 29.096 123 HB2 ARG 19 HB2 ARG 19 15.511 34.901 28.511 124 HB3 ARG 19 HB3 ARG 19 13.944 34.923 27.755 125 HG2 ARG 19 HG2 ARG 19 13.975 36.470 29.579 126 HG3 ARG 19 HG3 ARG 19 12.800 35.188 29.866 127 HD2 ARG 19 HD2 ARG 19 14.027 35.902 31.875 128 HD3 ARG 19 HD3 ARG 19 14.209 34.173 31.540 129 HE ARG 19 HE ARG 19 16.441 35.413 30.344 130 HH11 ARG 19 HH11 ARG 19 15.243 35.029 33.671 131 HH12 ARG 19 HH12 ARG 19 16.906 35.033 34.264 132 HH21 ARG 19 HH21 ARG 19 18.361 35.495 31.226 133 HH22 ARG 19 HH22 ARG 19 18.555 35.353 32.996 134 H GLN 20 H GLN 20 16.530 32.579 27.496 135 HA GLN 20 HA GLN 20 15.295 31.056 25.286 136 HB2 GLN 20 HB2 GLN 20 15.072 33.276 24.449 137 HB3 GLN 20 HB3 GLN 20 16.745 33.690 24.831 138 HG2 GLN 20 HG2 GLN 20 17.612 32.318 23.097 139 HG3 GLN 20 HG3 GLN 20 16.117 31.388 22.975 140 HE21 GLN 20 HE21 GLN 20 15.322 34.941 21.223 141 HE22 GLN 20 HE22 GLN 20 15.258 34.772 22.964 142 H GLY 21 H GLY 21 18.550 32.562 25.579 143 HA2 GLY 21 HA2 GLY 21 20.633 31.527 25.656 144 HA3 GLY 21 HA3 GLY 21 19.882 29.960 25.964 145 H LYS 22 H LYS 22 21.985 30.974 23.937 146 HA LYS 22 HA LYS 22 20.843 29.736 21.497 147 HB2 LYS 22 HB2 LYS 22 20.365 32.309 21.609 148 HB3 LYS 22 HB3 LYS 22 22.089 32.491 21.310 149 HG2 LYS 22 HG2 LYS 22 21.420 32.562 19.156 150 HG3 LYS 22 HG3 LYS 22 21.467 30.809 19.247 151 HD2 LYS 22 HD2 LYS 22 19.033 32.612 19.590 152 HD3 LYS 22 HD3 LYS 22 19.415 31.614 18.183 153 HE2 LYS 22 HE2 LYS 22 19.148 29.561 19.563 154 HE3 LYS 22 HE3 LYS 22 18.761 30.566 20.970 155 HZ1 LYS 22 HZ1 LYS 22 17.178 30.461 18.457 156 HZ2 LYS 22 HZ2 LYS 22 16.733 29.827 19.924 157 HZ3 LYS 22 HZ3 LYS 22 16.859 31.433 19.755 158 H CYS 23 H CYS 23 22.327 29.014 20.021 159 HA CYS 23 HA CYS 23 24.898 28.228 21.110 160 HB2 CYS 23 HB2 CYS 23 23.642 27.839 18.373 161 HB3 CYS 23 HB3 CYS 23 24.955 26.907 19.071 162 H TRP 24 H TRP 24 26.269 30.093 21.248 163 HA TRP 24 HA TRP 24 26.507 32.000 19.100 164 HB2 TRP 24 HB2 TRP 24 28.135 31.579 21.629 165 HB3 TRP 24 HB3 TRP 24 28.278 32.978 20.569 166 HD1 TRP 24 HD1 TRP 24 26.323 31.709 23.442 167 HE1 TRP 24 HE1 TRP 24 24.510 33.395 24.120 168 HE3 TRP 24 HE3 TRP 24 26.539 34.786 19.363 169 HZ2 TRP 24 HZ2 TRP 24 23.247 35.737 22.982 170 HZ3 TRP 24 HZ3 TRP 24 25.019 36.749 19.191 171 HH2 TRP 24 HH2 TRP 24 23.377 37.232 20.994 172 H GLY 25 H GLY 25 27.262 29.272 18.221 173 HA2 GLY 25 HA2 GLY 25 28.815 28.259 16.853 174 HA3 GLY 25 HA3 GLY 25 29.671 29.801 16.740 175 H LYS 26 H LYS 26 29.285 28.767 19.974 176 HA LYS 26 HA LYS 26 31.971 27.513 20.188 177 HB2 LYS 26 HB2 LYS 26 32.875 29.199 21.614 178 HB3 LYS 26 HB3 LYS 26 32.431 29.870 20.057 179 HG2 LYS 26 HG2 LYS 26 30.245 30.668 21.212 180 HG3 LYS 26 HG3 LYS 26 31.059 30.292 22.734 181 HD2 LYS 26 HD2 LYS 26 32.010 32.240 20.591 182 HD3 LYS 26 HD3 LYS 26 31.282 32.659 22.151 183 HE2 LYS 26 HE2 LYS 26 33.199 31.432 23.270 184 HE3 LYS 26 HE3 LYS 26 33.942 31.255 21.674 185 HZ1 LYS 26 HZ1 LYS 26 33.206 33.887 22.879 186 HZ2 LYS 26 HZ2 LYS 26 34.721 33.281 22.969 187 HZ3 LYS 26 HZ3 LYS 26 34.053 33.681 21.506 188 H TYR 27 H TYR 27 29.231 28.831 22.123 189 HA TYR 27 HA TYR 27 28.707 26.255 23.286 190 HB2 TYR 27 HB2 TYR 27 30.485 26.846 24.816 191 HB3 TYR 27 HB3 TYR 27 29.876 28.485 24.991 192 HD1 TYR 27 HD1 TYR 27 28.654 24.936 25.462 193 HD2 TYR 27 HD2 TYR 27 28.758 28.970 26.983 194 HE1 TYR 27 HE1 TYR 27 27.221 24.253 27.367 195 HE2 TYR 27 HE2 TYR 27 27.351 28.274 28.912 196 HH TYR 27 HH TYR 27 26.374 24.894 29.417 197 H CYS 28 H CYS 28 26.576 26.167 24.019 198 HA CYS 28 HA CYS 28 24.869 28.423 23.327 199 HB2 CYS 28 HB2 CYS 28 24.352 26.065 22.770 200 HB3 CYS 28 HB3 CYS 28 24.095 25.748 24.480 201 H GLN 29 H GLN 29 25.868 29.876 24.823 202 HA GLN 29 HA GLN 29 25.577 29.771 27.668 203 HB2 GLN 29 HB2 GLN 29 25.524 32.145 25.767 204 HB3 GLN 29 HB3 GLN 29 25.628 32.286 27.521 205 HG2 GLN 29 HG2 GLN 29 27.783 31.159 27.557 206 HG3 GLN 29 HG3 GLN 29 27.714 30.859 25.817 207 HE21 GLN 29 HE21 GLN 29 29.700 34.040 26.685 208 HE22 GLN 29 HE22 GLN 29 29.678 32.499 27.532 209 H CYS 30 H CYS 30 23.773 29.707 28.916 210 HA CYS 30 HA CYS 30 21.134 30.277 27.888 211 HB2 CYS 30 HB2 CYS 30 22.033 30.024 30.768 212 HB3 CYS 30 HB3 CYS 30 20.393 29.881 30.143 213 H TYR 31 H TYR 31 19.877 32.118 28.015 214 HA TYR 31 HA TYR 31 20.504 34.326 29.815 215 HB2 TYR 31 HB2 TYR 31 20.624 35.993 28.103 216 HB3 TYR 31 HB3 TYR 31 21.894 34.810 27.881 217 HD1 TYR 31 HD1 TYR 31 22.149 33.636 25.830 218 HD2 TYR 31 HD2 TYR 31 18.606 35.980 26.542 219 HE1 TYR 31 HE1 TYR 31 21.591 33.554 23.394 220 HE2 TYR 31 HE2 TYR 31 18.047 35.885 24.115 221 HH TYR 31 HH TYR 31 18.865 35.331 21.965 Start of MODEL 18 1 H1 GLY 1 H1 GLY 1 25.471 18.226 10.945 2 H2 GLY 1 H2 GLY 1 24.876 19.258 9.814 3 H3 GLY 1 H3 GLY 1 23.936 18.019 10.383 4 HA2 GLY 1 HA2 GLY 1 23.223 20.072 11.357 5 HA3 GLY 1 HA3 GLY 1 23.874 18.959 12.575 6 H MET 2 H MET 2 24.246 20.824 13.905 7 HA MET 2 HA MET 2 26.890 22.089 13.348 8 HB2 MET 2 HB2 MET 2 24.518 23.425 14.688 9 HB3 MET 2 HB3 MET 2 26.111 24.140 14.431 10 HG2 MET 2 HG2 MET 2 25.787 24.047 12.002 11 HG3 MET 2 HG3 MET 2 24.230 23.253 12.192 12 HE1 MET 2 HE1 MET 2 22.563 24.656 14.300 13 HE2 MET 2 HE2 MET 2 21.814 25.964 13.364 14 HE3 MET 2 HE3 MET 2 22.011 24.350 12.641 15 H ALA 3 H ALA 3 28.240 22.251 15.129 16 HA ALA 3 HA ALA 3 28.108 20.016 16.836 17 HB1 ALA 3 HB1 ALA 3 30.351 20.731 17.482 18 HB2 ALA 3 HB2 ALA 3 30.129 20.943 15.747 19 HB3 ALA 3 HB3 ALA 3 30.057 22.355 16.826 20 H CYS 4 H CYS 4 26.059 22.109 17.577 21 HA CYS 4 HA CYS 4 26.571 22.351 20.483 22 HB2 CYS 4 HB2 CYS 4 27.049 24.510 19.410 23 HB3 CYS 4 HB3 CYS 4 25.462 24.517 18.658 24 H GLN 5 H GLN 5 25.118 21.204 21.421 25 HA GLN 5 HA GLN 5 22.725 20.176 20.134 26 HB2 GLN 5 HB2 GLN 5 23.751 19.841 22.981 27 HB3 GLN 5 HB3 GLN 5 22.356 19.006 22.293 28 HG2 GLN 5 HG2 GLN 5 23.802 17.994 20.542 29 HG3 GLN 5 HG3 GLN 5 25.209 18.763 21.284 30 HE21 GLN 5 HE21 GLN 5 25.574 15.613 22.853 31 HE22 GLN 5 HE22 GLN 5 25.951 16.454 21.351 32 H PHE 6 H PHE 6 21.878 22.399 19.725 33 HA PHE 6 HA PHE 6 20.901 24.152 21.620 34 HB2 PHE 6 HB2 PHE 6 20.968 24.706 19.284 35 HB3 PHE 6 HB3 PHE 6 19.801 23.463 18.887 36 HD1 PHE 6 HD1 PHE 6 17.486 23.976 18.791 37 HD2 PHE 6 HD2 PHE 6 20.161 26.627 20.886 38 HE1 PHE 6 HE1 PHE 6 15.628 25.578 19.124 39 HE2 PHE 6 HE2 PHE 6 18.295 28.238 21.207 40 HZ PHE 6 HZ PHE 6 16.024 27.715 20.345 41 H TRP 7 H TRP 7 19.105 21.287 20.395 42 HA TRP 7 HA TRP 7 16.656 21.971 21.795 43 HB2 TRP 7 HB2 TRP 7 17.520 19.386 20.450 44 HB3 TRP 7 HB3 TRP 7 15.895 19.763 20.999 45 HD1 TRP 7 HD1 TRP 7 14.374 21.101 19.421 46 HE1 TRP 7 HE1 TRP 7 14.571 22.084 17.063 47 HE3 TRP 7 HE3 TRP 7 19.425 20.560 18.706 48 HZ2 TRP 7 HZ2 TRP 7 16.693 22.887 15.284 49 HZ3 TRP 7 HZ3 TRP 7 20.516 21.566 16.760 50 HH2 TRP 7 HH2 TRP 7 19.173 22.712 15.007 51 H SER 8 H SER 8 19.507 20.169 22.689 52 HA SER 8 HA SER 8 18.350 18.968 25.120 53 HB2 SER 8 HB2 SER 8 21.234 19.383 24.224 54 HB3 SER 8 HB3 SER 8 20.729 18.482 25.660 55 HG SER 8 HG SER 8 19.837 16.950 24.472 56 H CYS 9 H CYS 9 20.538 21.686 24.305 57 HA CYS 9 HA CYS 9 20.906 22.595 26.965 58 HB2 CYS 9 HB2 CYS 9 22.414 23.029 25.038 59 HB3 CYS 9 HB3 CYS 9 21.195 24.111 24.352 60 H ASN 10 H ASN 10 18.454 23.689 24.482 61 HA ASN 10 HA ASN 10 17.396 25.854 25.923 62 HB2 ASN 10 HB2 ASN 10 16.688 24.156 23.621 63 HB3 ASN 10 HB3 ASN 10 15.290 24.431 24.589 64 HD21 ASN 10 HD21 ASN 10 17.108 27.807 23.135 65 HD22 ASN 10 HD22 ASN 10 18.120 26.506 23.712 66 H SER 11 H SER 11 16.238 22.436 25.998 67 HA SER 11 HA SER 11 14.244 22.899 27.967 68 HB2 SER 11 HB2 SER 11 14.336 20.912 26.501 69 HB3 SER 11 HB3 SER 11 15.785 20.346 27.346 70 HG SER 11 HG SER 11 13.178 20.759 28.441 71 H SER 12 H SER 12 17.665 22.015 28.312 72 HA SER 12 HA SER 12 17.656 21.617 31.143 73 HB2 SER 12 HB2 SER 12 19.392 20.790 29.613 74 HB3 SER 12 HB3 SER 12 19.922 22.441 29.289 75 HG SER 12 HG SER 12 20.977 21.026 30.946 76 H CYS 13 H CYS 13 18.869 24.485 29.324 77 HA CYS 13 HA CYS 13 19.295 26.067 31.667 78 HB2 CYS 13 HB2 CYS 13 19.140 26.605 28.697 79 HB3 CYS 13 HB3 CYS 13 19.194 27.950 29.823 80 H ILE 14 H ILE 14 16.430 25.933 29.466 81 HA ILE 14 HA ILE 14 15.131 28.173 30.736 82 HB ILE 14 HB ILE 14 14.063 25.979 28.938 83 HG12 ILE 14 HG12 ILE 14 14.676 28.910 28.289 84 HG13 ILE 14 HG13 ILE 14 15.875 27.649 28.081 85 HG21 ILE 14 HG21 ILE 14 12.716 28.564 29.822 86 HG22 ILE 14 HG22 ILE 14 12.127 27.492 28.537 87 HG23 ILE 14 HG23 ILE 14 12.181 26.909 30.198 88 HD11 ILE 14 HD11 ILE 14 13.279 27.898 26.549 89 HD12 ILE 14 HD12 ILE 14 14.951 27.985 25.952 90 HD13 ILE 14 HD13 ILE 14 14.301 26.443 26.517 91 H SER 15 H SER 15 14.964 24.633 31.361 92 HA SER 15 HA SER 15 12.949 24.882 33.411 93 HB2 SER 15 HB2 SER 15 15.037 22.699 33.120 94 HB3 SER 15 HB3 SER 15 13.518 22.626 34.036 95 HG SER 15 HG SER 15 14.016 22.518 31.305 96 H ARG 16 H ARG 16 16.534 25.056 33.540 97 HA ARG 16 HA ARG 16 16.753 25.355 36.413 98 HB2 ARG 16 HB2 ARG 16 18.497 26.013 34.036 99 HB3 ARG 16 HB3 ARG 16 18.759 26.948 35.489 100 HG2 ARG 16 HG2 ARG 16 20.285 25.316 35.759 101 HG3 ARG 16 HG3 ARG 16 18.974 24.714 36.764 102 HD2 ARG 16 HD2 ARG 16 19.519 23.819 33.892 103 HD3 ARG 16 HD3 ARG 16 20.192 23.022 35.318 104 HE ARG 16 HE ARG 16 17.431 23.083 35.774 105 HH11 ARG 16 HH11 ARG 16 19.468 21.582 33.304 106 HH12 ARG 16 HH12 ARG 16 18.453 20.162 33.301 107 HH21 ARG 16 HH21 ARG 16 16.175 21.420 35.516 108 HH22 ARG 16 HH22 ARG 16 16.469 20.221 34.239 109 H GLY 17 H GLY 17 16.226 27.750 33.836 110 HA2 GLY 17 HA2 GLY 17 14.350 29.335 34.677 111 HA3 GLY 17 HA3 GLY 17 15.533 29.835 35.885 112 H TYR 18 H TYR 18 17.114 29.206 32.910 113 HA TYR 18 HA TYR 18 17.610 32.050 32.447 114 HB2 TYR 18 HB2 TYR 18 18.367 29.554 30.914 115 HB3 TYR 18 HB3 TYR 18 18.878 31.156 30.474 116 HD1 TYR 18 HD1 TYR 18 20.614 32.338 31.664 117 HD2 TYR 18 HD2 TYR 18 19.214 28.508 33.089 118 HE1 TYR 18 HE1 TYR 18 22.532 32.216 33.252 119 HE2 TYR 18 HE2 TYR 18 21.141 28.394 34.660 120 HH TYR 18 HH TYR 18 22.834 29.688 35.697 121 H ARG 19 H ARG 19 17.223 33.090 30.396 122 HA ARG 19 HA ARG 19 14.378 32.882 29.624 123 HB2 ARG 19 HB2 ARG 19 16.631 34.850 29.103 124 HB3 ARG 19 HB3 ARG 19 15.142 34.930 28.183 125 HG2 ARG 19 HG2 ARG 19 15.170 36.506 30.050 126 HG3 ARG 19 HG3 ARG 19 13.822 35.385 30.106 127 HD2 ARG 19 HD2 ARG 19 14.778 35.913 32.321 128 HD3 ARG 19 HD3 ARG 19 14.771 34.182 31.960 129 HE ARG 19 HE ARG 19 17.297 34.905 31.174 130 HH11 ARG 19 HH11 ARG 19 15.721 35.452 34.322 131 HH12 ARG 19 HH12 ARG 19 17.286 35.236 35.101 132 HH21 ARG 19 HH21 ARG 19 18.967 34.431 32.253 133 HH22 ARG 19 HH22 ARG 19 18.984 34.373 34.010 134 H GLN 20 H GLN 20 17.386 31.870 28.248 135 HA GLN 20 HA GLN 20 16.055 30.343 26.212 136 HB2 GLN 20 HB2 GLN 20 16.952 32.997 25.424 137 HB3 GLN 20 HB3 GLN 20 18.012 31.833 24.670 138 HG2 GLN 20 HG2 GLN 20 14.978 31.934 24.464 139 HG3 GLN 20 HG3 GLN 20 16.153 32.330 23.195 140 HE21 GLN 20 HE21 GLN 20 14.867 28.563 23.367 141 HE22 GLN 20 HE22 GLN 20 13.966 29.969 23.929 142 H GLY 21 H GLY 21 17.599 28.949 25.049 143 HA2 GLY 21 HA2 GLY 21 20.320 28.692 26.267 144 HA3 GLY 21 HA3 GLY 21 19.332 27.273 25.890 145 H LYS 22 H LYS 22 20.353 30.315 24.342 146 HA LYS 22 HA LYS 22 20.280 29.375 21.611 147 HB2 LYS 22 HB2 LYS 22 19.923 31.742 22.564 148 HB3 LYS 22 HB3 LYS 22 21.661 31.791 22.800 149 HG2 LYS 22 HG2 LYS 22 21.687 32.757 20.785 150 HG3 LYS 22 HG3 LYS 22 21.601 31.118 20.148 151 HD2 LYS 22 HD2 LYS 22 19.295 33.031 20.579 152 HD3 LYS 22 HD3 LYS 22 20.020 32.581 19.030 153 HE2 LYS 22 HE2 LYS 22 19.253 30.240 19.358 154 HE3 LYS 22 HE3 LYS 22 18.499 30.715 20.899 155 HZ1 LYS 22 HZ1 LYS 22 17.163 32.320 19.636 156 HZ2 LYS 22 HZ2 LYS 22 17.778 31.758 18.213 157 HZ3 LYS 22 HZ3 LYS 22 16.833 30.796 19.176 158 H CYS 23 H CYS 23 21.899 28.726 20.248 159 HA CYS 23 HA CYS 23 24.674 28.325 21.263 160 HB2 CYS 23 HB2 CYS 23 23.235 27.467 18.733 161 HB3 CYS 23 HB3 CYS 23 24.934 27.165 19.050 162 H TRP 24 H TRP 24 26.392 29.442 20.421 163 HA TRP 24 HA TRP 24 25.749 31.923 18.855 164 HB2 TRP 24 HB2 TRP 24 27.547 31.481 21.253 165 HB3 TRP 24 HB3 TRP 24 27.509 32.964 20.315 166 HD1 TRP 24 HD1 TRP 24 25.347 30.957 22.737 167 HE1 TRP 24 HE1 TRP 24 23.788 32.559 23.972 168 HE3 TRP 24 HE3 TRP 24 26.108 35.108 19.861 169 HZ2 TRP 24 HZ2 TRP 24 23.087 35.393 23.807 170 HZ3 TRP 24 HZ3 TRP 24 24.942 37.243 20.397 171 HH2 TRP 24 HH2 TRP 24 23.479 37.402 22.392 172 H GLY 25 H GLY 25 26.908 29.274 17.858 173 HA2 GLY 25 HA2 GLY 25 28.536 28.621 16.352 174 HA3 GLY 25 HA3 GLY 25 29.135 30.273 16.271 175 H LYS 26 H LYS 26 29.120 29.527 19.483 176 HA LYS 26 HA LYS 26 31.868 28.374 19.562 177 HB2 LYS 26 HB2 LYS 26 32.567 30.077 21.166 178 HB3 LYS 26 HB3 LYS 26 32.117 30.752 19.607 179 HG2 LYS 26 HG2 LYS 26 29.754 31.149 20.758 180 HG3 LYS 26 HG3 LYS 26 30.656 30.927 22.256 181 HD2 LYS 26 HD2 LYS 26 30.430 33.234 21.778 182 HD3 LYS 26 HD3 LYS 26 32.149 32.809 21.578 183 HE2 LYS 26 HE2 LYS 26 31.873 32.793 19.126 184 HE3 LYS 26 HE3 LYS 26 30.132 33.042 19.317 185 HZ1 LYS 26 HZ1 LYS 26 32.242 35.040 19.918 186 HZ2 LYS 26 HZ2 LYS 26 31.033 35.128 18.820 187 HZ3 LYS 26 HZ3 LYS 26 30.691 35.202 20.413 188 H TYR 27 H TYR 27 29.083 29.233 21.673 189 HA TYR 27 HA TYR 27 29.184 26.645 23.030 190 HB2 TYR 27 HB2 TYR 27 29.750 29.239 24.517 191 HB3 TYR 27 HB3 TYR 27 29.362 27.703 25.276 192 HD1 TYR 27 HD1 TYR 27 32.008 29.771 24.097 193 HD2 TYR 27 HD2 TYR 27 30.885 25.657 24.669 194 HE1 TYR 27 HE1 TYR 27 34.391 29.113 23.977 195 HE2 TYR 27 HE2 TYR 27 33.293 24.987 24.515 196 HH TYR 27 HH TYR 27 35.434 25.757 23.775 197 H CYS 28 H CYS 28 27.355 26.387 24.512 198 HA CYS 28 HA CYS 28 24.976 27.881 23.594 199 HB2 CYS 28 HB2 CYS 28 24.885 25.408 23.878 200 HB3 CYS 28 HB3 CYS 28 25.095 25.644 25.622 201 H GLN 29 H GLN 29 25.798 29.942 24.417 202 HA GLN 29 HA GLN 29 25.936 30.363 27.320 203 HB2 GLN 29 HB2 GLN 29 25.955 32.405 25.081 204 HB3 GLN 29 HB3 GLN 29 26.296 32.708 26.765 205 HG2 GLN 29 HG2 GLN 29 28.304 31.257 26.642 206 HG3 GLN 29 HG3 GLN 29 27.952 30.918 24.936 207 HE21 GLN 29 HE21 GLN 29 30.437 33.621 24.774 208 HE22 GLN 29 HE22 GLN 29 30.440 31.959 25.318 209 H CYS 30 H CYS 30 24.122 30.200 28.439 210 HA CYS 30 HA CYS 30 21.527 30.719 27.275 211 HB2 CYS 30 HB2 CYS 30 22.341 29.807 30.056 212 HB3 CYS 30 HB3 CYS 30 20.690 29.859 29.430 213 H TYR 31 H TYR 31 19.985 32.213 27.812 214 HA TYR 31 HA TYR 31 21.064 34.856 28.361 215 HB2 TYR 31 HB2 TYR 31 18.271 33.864 27.731 216 HB3 TYR 31 HB3 TYR 31 18.662 35.548 28.007 217 HD1 TYR 31 HD1 TYR 31 17.645 36.171 25.971 218 HD2 TYR 31 HD2 TYR 31 21.034 33.489 25.939 219 HE1 TYR 31 HE1 TYR 31 17.917 36.539 23.548 220 HE2 TYR 31 HE2 TYR 31 21.302 33.903 23.510 221 HH TYR 31 HH TYR 31 19.153 36.098 21.706 Start of MODEL 19 1 H1 GLY 1 H1 GLY 1 32.233 19.726 13.859 2 H2 GLY 1 H2 GLY 1 32.242 18.196 14.458 3 H3 GLY 1 H3 GLY 1 31.554 19.422 15.335 4 HA2 GLY 1 HA2 GLY 1 30.574 18.589 12.687 5 HA3 GLY 1 HA3 GLY 1 29.933 17.918 14.203 6 H MET 2 H MET 2 28.106 18.849 14.834 7 HA MET 2 HA MET 2 28.030 21.818 15.012 8 HB2 MET 2 HB2 MET 2 25.767 20.044 14.009 9 HB3 MET 2 HB3 MET 2 25.578 21.733 14.485 10 HG2 MET 2 HG2 MET 2 27.398 20.786 12.248 11 HG3 MET 2 HG3 MET 2 25.771 21.378 12.029 12 HE1 MET 2 HE1 MET 2 26.723 22.969 10.201 13 HE2 MET 2 HE2 MET 2 27.969 24.208 10.489 14 HE3 MET 2 HE3 MET 2 28.405 22.482 10.536 15 H ALA 3 H ALA 3 27.504 22.505 16.986 16 HA ALA 3 HA ALA 3 26.685 20.565 19.076 17 HB1 ALA 3 HB1 ALA 3 28.656 22.019 19.431 18 HB2 ALA 3 HB2 ALA 3 27.636 23.460 19.209 19 HB3 ALA 3 HB3 ALA 3 27.363 22.390 20.595 20 H CYS 4 H CYS 4 25.234 22.910 17.075 21 HA CYS 4 HA CYS 4 23.370 24.122 18.786 22 HB2 CYS 4 HB2 CYS 4 23.371 23.761 15.773 23 HB3 CYS 4 HB3 CYS 4 22.351 24.903 16.642 24 H GLN 5 H GLN 5 23.021 21.205 19.159 25 HA GLN 5 HA GLN 5 20.352 20.586 18.109 26 HB2 GLN 5 HB2 GLN 5 21.902 19.283 20.369 27 HB3 GLN 5 HB3 GLN 5 20.332 18.779 19.774 28 HG2 GLN 5 HG2 GLN 5 21.855 17.347 18.689 29 HG3 GLN 5 HG3 GLN 5 21.303 18.505 17.468 30 HE21 GLN 5 HE21 GLN 5 24.752 19.051 16.724 31 HE22 GLN 5 HE22 GLN 5 23.133 18.751 16.080 32 H PHE 6 H PHE 6 18.457 21.196 18.923 33 HA PHE 6 HA PHE 6 18.438 23.536 20.413 34 HB2 PHE 6 HB2 PHE 6 16.787 22.674 18.696 35 HB3 PHE 6 HB3 PHE 6 16.011 21.785 19.995 36 HD1 PHE 6 HD1 PHE 6 16.817 25.144 18.652 37 HD2 PHE 6 HD2 PHE 6 14.666 22.956 21.679 38 HE1 PHE 6 HE1 PHE 6 15.525 27.186 19.212 39 HE2 PHE 6 HE2 PHE 6 13.373 25.013 22.224 40 HZ PHE 6 HZ PHE 6 13.800 27.121 21.004 41 H TRP 7 H TRP 7 17.194 20.378 21.629 42 HA TRP 7 HA TRP 7 16.532 21.445 24.214 43 HB2 TRP 7 HB2 TRP 7 16.825 18.533 23.432 44 HB3 TRP 7 HB3 TRP 7 15.902 19.192 24.782 45 HD1 TRP 7 HD1 TRP 7 13.452 19.915 24.286 46 HE1 TRP 7 HE1 TRP 7 11.947 20.109 22.225 47 HE3 TRP 7 HE3 TRP 7 16.879 18.733 20.668 48 HZ2 TRP 7 HZ2 TRP 7 12.271 20.053 19.354 49 HZ3 TRP 7 HZ3 TRP 7 16.283 18.935 18.292 50 HH2 TRP 7 HH2 TRP 7 13.987 19.583 17.606 51 H SER 8 H SER 8 19.513 20.315 22.936 52 HA SER 8 HA SER 8 20.806 19.449 25.388 53 HB2 SER 8 HB2 SER 8 22.011 20.502 22.800 54 HB3 SER 8 HB3 SER 8 22.913 19.779 24.119 55 HG SER 8 HG SER 8 22.482 18.274 22.511 56 H CYS 9 H CYS 9 20.306 22.603 23.853 57 HA CYS 9 HA CYS 9 21.818 23.916 26.091 58 HB2 CYS 9 HB2 CYS 9 22.697 24.432 23.925 59 HB3 CYS 9 HB3 CYS 9 21.103 24.823 23.299 60 H ASN 10 H ASN 10 18.718 24.228 24.184 61 HA ASN 10 HA ASN 10 17.916 26.457 25.791 62 HB2 ASN 10 HB2 ASN 10 17.429 26.122 23.394 63 HB3 ASN 10 HB3 ASN 10 16.398 24.749 23.787 64 HD21 ASN 10 HD21 ASN 10 14.339 25.118 24.400 65 HD22 ASN 10 HD22 ASN 10 13.659 26.743 24.510 66 H SER 11 H SER 11 16.642 23.039 25.732 67 HA SER 11 HA SER 11 14.861 23.415 27.932 68 HB2 SER 11 HB2 SER 11 16.329 20.859 27.181 69 HB3 SER 11 HB3 SER 11 14.940 20.996 28.247 70 HG SER 11 HG SER 11 13.967 20.579 26.463 71 H SER 12 H SER 12 18.331 22.633 27.866 72 HA SER 12 HA SER 12 18.676 22.061 30.646 73 HB2 SER 12 HB2 SER 12 20.387 21.536 28.959 74 HB3 SER 12 HB3 SER 12 20.645 23.261 28.662 75 HG SER 12 HG SER 12 22.185 22.663 30.102 76 H CYS 13 H CYS 13 19.043 25.166 28.883 77 HA CYS 13 HA CYS 13 19.464 26.681 31.300 78 HB2 CYS 13 HB2 CYS 13 19.041 27.296 28.396 79 HB3 CYS 13 HB3 CYS 13 18.885 28.592 29.574 80 H ILE 14 H ILE 14 16.427 26.073 29.390 81 HA ILE 14 HA ILE 14 14.791 27.718 31.084 82 HB ILE 14 HB ILE 14 14.169 25.342 29.309 83 HG12 ILE 14 HG12 ILE 14 13.587 28.335 29.035 84 HG13 ILE 14 HG13 ILE 14 14.957 27.528 28.291 85 HG21 ILE 14 HG21 ILE 14 12.166 27.114 30.781 86 HG22 ILE 14 HG22 ILE 14 11.763 25.920 29.528 87 HG23 ILE 14 HG23 ILE 14 12.423 25.377 31.055 88 HD11 ILE 14 HD11 ILE 14 12.026 27.100 27.625 89 HD12 ILE 14 HD12 ILE 14 13.310 27.764 26.608 90 HD13 ILE 14 HD13 ILE 14 13.336 26.042 27.043 91 H SER 15 H SER 15 15.786 24.302 31.449 92 HA SER 15 HA SER 15 14.310 23.721 33.826 93 HB2 SER 15 HB2 SER 15 15.471 22.107 32.333 94 HB3 SER 15 HB3 SER 15 17.024 22.657 32.950 95 HG SER 15 HG SER 15 15.730 20.746 33.823 96 H ARG 16 H ARG 16 17.531 25.218 33.398 97 HA ARG 16 HA ARG 16 17.968 25.645 36.274 98 HB2 ARG 16 HB2 ARG 16 19.443 26.143 33.720 99 HB3 ARG 16 HB3 ARG 16 19.766 27.273 35.026 100 HG2 ARG 16 HG2 ARG 16 21.339 25.341 34.998 101 HG3 ARG 16 HG3 ARG 16 20.484 25.596 36.508 102 HD2 ARG 16 HD2 ARG 16 20.631 23.295 36.219 103 HD3 ARG 16 HD3 ARG 16 18.938 23.703 35.969 104 HE ARG 16 HE ARG 16 19.920 23.659 33.396 105 HH11 ARG 16 HH11 ARG 16 19.742 21.286 35.995 106 HH12 ARG 16 HH12 ARG 16 20.107 19.967 34.889 107 HH21 ARG 16 HH21 ARG 16 20.503 21.892 32.108 108 HH22 ARG 16 HH22 ARG 16 20.275 20.286 32.746 109 H GLY 17 H GLY 17 16.414 27.570 33.797 110 HA2 GLY 17 HA2 GLY 17 14.504 28.739 35.073 111 HA3 GLY 17 HA3 GLY 17 15.779 29.615 35.912 112 H TYR 18 H TYR 18 17.092 29.442 32.983 113 HA TYR 18 HA TYR 18 16.691 32.182 32.286 114 HB2 TYR 18 HB2 TYR 18 17.663 29.828 30.666 115 HB3 TYR 18 HB3 TYR 18 17.860 31.488 30.190 116 HD1 TYR 18 HD1 TYR 18 19.103 28.856 32.509 117 HD2 TYR 18 HD2 TYR 18 19.520 32.948 31.211 118 HE1 TYR 18 HE1 TYR 18 21.467 28.869 33.291 119 HE2 TYR 18 HE2 TYR 18 21.865 32.967 32.054 120 HH TYR 18 HH TYR 18 23.567 30.085 32.875 121 H ARG 19 H ARG 19 15.808 33.035 30.278 122 HA ARG 19 HA ARG 19 13.113 32.094 29.617 123 HB2 ARG 19 HB2 ARG 19 14.903 34.219 28.356 124 HB3 ARG 19 HB3 ARG 19 13.270 33.838 27.826 125 HG2 ARG 19 HG2 ARG 19 12.995 35.724 29.083 126 HG3 ARG 19 HG3 ARG 19 12.428 34.445 30.144 127 HD2 ARG 19 HD2 ARG 19 15.274 35.515 30.300 128 HD3 ARG 19 HD3 ARG 19 13.938 36.387 31.046 129 HE ARG 19 HE ARG 19 13.521 33.953 32.116 130 HH11 ARG 19 HH11 ARG 19 16.769 35.195 31.714 131 HH12 ARG 19 HH12 ARG 19 17.055 35.230 33.453 132 HH21 ARG 19 HH21 ARG 19 14.144 33.603 34.229 133 HH22 ARG 19 HH22 ARG 19 15.764 34.001 34.740 134 H GLN 20 H GLN 20 16.283 31.886 28.112 135 HA GLN 20 HA GLN 20 15.477 29.838 26.158 136 HB2 GLN 20 HB2 GLN 20 14.684 32.001 25.206 137 HB3 GLN 20 HB3 GLN 20 16.311 32.674 25.381 138 HG2 GLN 20 HG2 GLN 20 17.137 30.960 23.729 139 HG3 GLN 20 HG3 GLN 20 15.468 30.419 23.521 140 HE21 GLN 20 HE21 GLN 20 14.843 33.844 21.993 141 HE22 GLN 20 HE22 GLN 20 14.232 33.142 23.495 142 H GLY 21 H GLY 21 17.297 28.967 25.016 143 HA2 GLY 21 HA2 GLY 21 20.039 29.893 25.773 144 HA3 GLY 21 HA3 GLY 21 19.659 28.165 25.723 145 H LYS 22 H LYS 22 21.581 29.762 24.096 146 HA LYS 22 HA LYS 22 20.661 29.038 21.329 147 HB2 LYS 22 HB2 LYS 22 20.238 31.517 22.065 148 HB3 LYS 22 HB3 LYS 22 21.954 31.695 21.980 149 HG2 LYS 22 HG2 LYS 22 21.587 32.279 19.828 150 HG3 LYS 22 HG3 LYS 22 21.484 30.536 19.524 151 HD2 LYS 22 HD2 LYS 22 19.202 32.486 20.062 152 HD3 LYS 22 HD3 LYS 22 19.579 31.711 18.520 153 HE2 LYS 22 HE2 LYS 22 18.933 29.504 19.430 154 HE3 LYS 22 HE3 LYS 22 18.696 30.232 21.031 155 HZ1 LYS 22 HZ1 LYS 22 16.559 30.120 20.000 156 HZ2 LYS 22 HZ2 LYS 22 17.007 31.682 20.013 157 HZ3 LYS 22 HZ3 LYS 22 17.089 30.841 18.611 158 H CYS 23 H CYS 23 22.323 28.379 19.966 159 HA CYS 23 HA CYS 23 25.048 28.098 21.061 160 HB2 CYS 23 HB2 CYS 23 25.543 26.728 19.224 161 HB3 CYS 23 HB3 CYS 23 23.958 26.229 19.792 162 H TRP 24 H TRP 24 26.893 28.909 20.055 163 HA TRP 24 HA TRP 24 26.646 31.231 18.215 164 HB2 TRP 24 HB2 TRP 24 27.673 31.280 21.064 165 HB3 TRP 24 HB3 TRP 24 28.157 32.498 19.884 166 HD1 TRP 24 HD1 TRP 24 25.117 31.392 21.872 167 HE1 TRP 24 HE1 TRP 24 23.400 33.301 21.940 168 HE3 TRP 24 HE3 TRP 24 27.324 34.577 18.553 169 HZ2 TRP 24 HZ2 TRP 24 22.999 35.819 20.612 170 HZ3 TRP 24 HZ3 TRP 24 26.293 36.767 18.038 171 HH2 TRP 24 HH2 TRP 24 24.108 37.385 19.050 172 H GLY 25 H GLY 25 28.030 28.375 18.379 173 HA2 GLY 25 HA2 GLY 25 29.927 27.475 17.426 174 HA3 GLY 25 HA3 GLY 25 30.480 29.090 16.979 175 H LYS 26 H LYS 26 29.737 28.842 20.299 176 HA LYS 26 HA LYS 26 32.537 28.204 21.132 177 HB2 LYS 26 HB2 LYS 26 32.371 30.195 22.724 178 HB3 LYS 26 HB3 LYS 26 32.707 30.492 21.020 179 HG2 LYS 26 HG2 LYS 26 30.414 31.203 20.603 180 HG3 LYS 26 HG3 LYS 26 29.935 30.784 22.252 181 HD2 LYS 26 HD2 LYS 26 30.218 33.169 21.904 182 HD3 LYS 26 HD3 LYS 26 31.305 32.539 23.152 183 HE2 LYS 26 HE2 LYS 26 33.192 32.574 21.568 184 HE3 LYS 26 HE3 LYS 26 32.117 33.101 20.260 185 HZ1 LYS 26 HZ1 LYS 26 31.739 35.156 21.453 186 HZ2 LYS 26 HZ2 LYS 26 32.652 34.644 22.738 187 HZ3 LYS 26 HZ3 LYS 26 33.369 34.950 21.306 188 H TYR 27 H TYR 27 29.247 28.938 22.528 189 HA TYR 27 HA TYR 27 29.088 26.444 23.848 190 HB2 TYR 27 HB2 TYR 27 29.220 27.152 26.155 191 HB3 TYR 27 HB3 TYR 27 30.759 27.438 25.394 192 HD1 TYR 27 HD1 TYR 27 31.574 29.745 25.003 193 HD2 TYR 27 HD2 TYR 27 27.833 28.977 26.993 194 HE1 TYR 27 HE1 TYR 27 31.555 32.068 25.871 195 HE2 TYR 27 HE2 TYR 27 27.823 31.295 27.874 196 HH TYR 27 HH TYR 27 29.120 33.155 28.230 197 H CYS 28 H CYS 28 27.160 26.509 25.380 198 HA CYS 28 HA CYS 28 24.865 27.731 24.147 199 HB2 CYS 28 HB2 CYS 28 24.841 25.524 25.166 200 HB3 CYS 28 HB3 CYS 28 25.343 26.195 26.722 201 H GLN 29 H GLN 29 25.211 29.996 24.198 202 HA GLN 29 HA GLN 29 25.251 31.478 26.744 203 HB2 GLN 29 HB2 GLN 29 24.488 32.472 23.977 204 HB3 GLN 29 HB3 GLN 29 24.818 33.449 25.400 205 HG2 GLN 29 HG2 GLN 29 27.146 32.500 25.457 206 HG3 GLN 29 HG3 GLN 29 26.820 31.688 23.913 207 HE21 GLN 29 HE21 GLN 29 26.604 35.582 22.974 208 HE22 GLN 29 HE22 GLN 29 25.269 34.810 23.783 209 H CYS 30 H CYS 30 23.513 32.284 27.912 210 HA CYS 30 HA CYS 30 20.774 31.660 26.926 211 HB2 CYS 30 HB2 CYS 30 21.945 30.938 29.620 212 HB3 CYS 30 HB3 CYS 30 20.237 30.799 29.171 213 H TYR 31 H TYR 31 19.012 32.642 28.079 214 HA TYR 31 HA TYR 31 19.603 35.549 28.439 215 HB2 TYR 31 HB2 TYR 31 17.241 34.099 27.208 216 HB3 TYR 31 HB3 TYR 31 17.353 35.839 27.417 217 HD1 TYR 31 HD1 TYR 31 18.441 37.201 25.802 218 HD2 TYR 31 HD2 TYR 31 19.034 32.933 25.717 219 HE1 TYR 31 HE1 TYR 31 19.711 37.407 23.666 220 HE2 TYR 31 HE2 TYR 31 20.350 33.154 23.633 221 HH TYR 31 HH TYR 31 20.612 36.188 21.853 Start of MODEL 20 1 H1 GLY 1 H1 GLY 1 25.062 22.420 13.894 2 H2 GLY 1 H2 GLY 1 23.761 21.484 14.227 3 H3 GLY 1 H3 GLY 1 24.202 21.736 12.658 4 HA2 GLY 1 HA2 GLY 1 24.863 19.535 13.344 5 HA3 GLY 1 HA3 GLY 1 26.278 20.561 13.007 6 H MET 2 H MET 2 27.308 18.865 14.451 7 HA MET 2 HA MET 2 26.539 18.426 17.111 8 HB2 MET 2 HB2 MET 2 28.574 17.255 17.375 9 HB3 MET 2 HB3 MET 2 28.101 17.049 15.691 10 HG2 MET 2 HG2 MET 2 29.717 18.933 15.111 11 HG3 MET 2 HG3 MET 2 30.215 18.945 16.799 12 HE1 MET 2 HE1 MET 2 29.500 15.906 14.244 13 HE2 MET 2 HE2 MET 2 30.384 17.167 13.352 14 HE3 MET 2 HE3 MET 2 31.172 15.618 13.721 15 H ALA 3 H ALA 3 28.186 21.285 15.962 16 HA ALA 3 HA ALA 3 29.433 22.059 18.432 17 HB1 ALA 3 HB1 ALA 3 28.314 23.739 16.144 18 HB2 ALA 3 HB2 ALA 3 29.472 24.286 17.377 19 HB3 ALA 3 HB3 ALA 3 29.939 23.031 16.217 20 H CYS 4 H CYS 4 26.065 22.186 17.344 21 HA CYS 4 HA CYS 4 25.279 23.781 19.751 22 HB2 CYS 4 HB2 CYS 4 24.437 24.129 16.861 23 HB3 CYS 4 HB3 CYS 4 23.638 24.900 18.220 24 H GLN 5 H GLN 5 24.745 21.764 20.757 25 HA GLN 5 HA GLN 5 22.447 20.212 19.739 26 HB2 GLN 5 HB2 GLN 5 24.008 20.080 22.336 27 HB3 GLN 5 HB3 GLN 5 22.673 19.003 21.912 28 HG2 GLN 5 HG2 GLN 5 23.862 18.147 19.967 29 HG3 GLN 5 HG3 GLN 5 25.182 19.298 20.195 30 HE21 GLN 5 HE21 GLN 5 25.061 15.916 22.525 31 HE22 GLN 5 HE22 GLN 5 23.564 16.489 21.834 32 H PHE 6 H PHE 6 21.271 22.250 19.475 33 HA PHE 6 HA PHE 6 20.590 24.018 21.499 34 HB2 PHE 6 HB2 PHE 6 20.291 24.552 19.180 35 HB3 PHE 6 HB3 PHE 6 19.112 23.270 18.969 36 HD1 PHE 6 HD1 PHE 6 19.690 26.572 20.612 37 HD2 PHE 6 HD2 PHE 6 16.779 23.598 19.471 38 HE1 PHE 6 HE1 PHE 6 17.858 28.137 21.194 39 HE2 PHE 6 HE2 PHE 6 14.948 25.166 20.065 40 HZ PHE 6 HZ PHE 6 15.482 27.434 20.936 41 H TRP 7 H TRP 7 18.788 21.018 20.672 42 HA TRP 7 HA TRP 7 16.435 21.826 22.163 43 HB2 TRP 7 HB2 TRP 7 17.281 19.145 21.013 44 HB3 TRP 7 HB3 TRP 7 15.725 19.465 21.760 45 HD1 TRP 7 HD1 TRP 7 13.885 20.541 20.351 46 HE1 TRP 7 HE1 TRP 7 13.663 21.491 17.985 47 HE3 TRP 7 HE3 TRP 7 18.820 20.396 18.935 48 HZ2 TRP 7 HZ2 TRP 7 15.404 22.210 15.806 49 HZ3 TRP 7 HZ3 TRP 7 19.523 21.366 16.787 50 HH2 TRP 7 HH2 TRP 7 17.826 22.246 15.182 51 H SER 8 H SER 8 19.272 19.898 22.915 52 HA SER 8 HA SER 8 18.375 19.003 25.560 53 HB2 SER 8 HB2 SER 8 20.016 17.671 24.381 54 HB3 SER 8 HB3 SER 8 21.093 19.065 24.193 55 HG SER 8 HG SER 8 20.325 17.767 26.609 56 H CYS 9 H CYS 9 20.689 21.484 24.349 57 HA CYS 9 HA CYS 9 21.400 22.669 26.789 58 HB2 CYS 9 HB2 CYS 9 22.535 23.213 24.739 59 HB3 CYS 9 HB3 CYS 9 21.037 23.752 23.984 60 H ASN 10 H ASN 10 18.585 23.642 24.643 61 HA ASN 10 HA ASN 10 17.869 25.720 26.469 62 HB2 ASN 10 HB2 ASN 10 16.908 26.386 24.654 63 HB3 ASN 10 HB3 ASN 10 17.293 24.960 23.792 64 HD21 ASN 10 HD21 ASN 10 14.013 23.553 24.154 65 HD22 ASN 10 HD22 ASN 10 15.685 23.041 24.185 66 H SER 11 H SER 11 16.786 22.367 26.153 67 HA SER 11 HA SER 11 14.631 22.464 28.055 68 HB2 SER 11 HB2 SER 11 14.954 20.568 26.566 69 HB3 SER 11 HB3 SER 11 16.515 20.187 27.320 70 HG SER 11 HG SER 11 15.528 19.248 28.914 71 H SER 12 H SER 12 18.141 21.923 28.474 72 HA SER 12 HA SER 12 18.128 21.649 31.322 73 HB2 SER 12 HB2 SER 12 20.003 21.038 29.776 74 HB3 SER 12 HB3 SER 12 20.330 22.765 29.546 75 HG SER 12 HG SER 12 20.527 21.174 31.852 76 H CYS 13 H CYS 13 18.608 24.556 29.263 77 HA CYS 13 HA CYS 13 18.935 26.357 31.432 78 HB2 CYS 13 HB2 CYS 13 18.161 26.792 28.530 79 HB3 CYS 13 HB3 CYS 13 18.476 28.103 29.658 80 H ILE 14 H ILE 14 15.903 25.605 29.591 81 HA ILE 14 HA ILE 14 14.124 27.295 30.987 82 HB ILE 14 HB ILE 14 13.770 24.516 29.792 83 HG12 ILE 14 HG12 ILE 14 12.681 27.152 28.738 84 HG13 ILE 14 HG13 ILE 14 14.304 26.638 28.343 85 HG21 ILE 14 HG21 ILE 14 11.976 24.760 31.448 86 HG22 ILE 14 HG22 ILE 14 11.606 26.398 30.859 87 HG23 ILE 14 HG23 ILE 14 11.295 24.975 29.850 88 HD11 ILE 14 HD11 ILE 14 11.793 25.048 27.680 89 HD12 ILE 14 HD12 ILE 14 12.757 26.020 26.568 90 HD13 ILE 14 HD13 ILE 14 13.463 24.566 27.294 91 H SER 15 H SER 15 15.129 23.953 31.823 92 HA SER 15 HA SER 15 13.625 23.939 34.278 93 HB2 SER 15 HB2 SER 15 14.693 21.762 34.666 94 HB3 SER 15 HB3 SER 15 13.946 21.892 33.069 95 HG SER 15 HG SER 15 15.889 21.992 32.125 96 H ARG 16 H ARG 16 16.630 25.419 33.677 97 HA ARG 16 HA ARG 16 17.343 25.389 36.588 98 HB2 ARG 16 HB2 ARG 16 18.844 26.082 34.076 99 HB3 ARG 16 HB3 ARG 16 19.131 27.097 35.482 100 HG2 ARG 16 HG2 ARG 16 20.743 25.562 35.815 101 HG3 ARG 16 HG3 ARG 16 19.474 24.885 36.813 102 HD2 ARG 16 HD2 ARG 16 20.259 23.990 34.000 103 HD3 ARG 16 HD3 ARG 16 20.742 23.199 35.496 104 HE ARG 16 HE ARG 16 18.171 23.034 34.135 105 HH11 ARG 16 HH11 ARG 16 19.614 22.432 37.334 106 HH12 ARG 16 HH12 ARG 16 18.708 20.952 37.513 107 HH21 ARG 16 HH21 ARG 16 16.886 21.319 34.621 108 HH22 ARG 16 HH22 ARG 16 17.084 20.458 36.134 109 H GLY 17 H GLY 17 16.422 27.711 34.042 110 HA2 GLY 17 HA2 GLY 17 14.560 29.195 35.121 111 HA3 GLY 17 HA3 GLY 17 15.866 29.756 36.155 112 H TYR 18 H TYR 18 16.786 29.235 32.825 113 HA TYR 18 HA TYR 18 17.122 32.136 32.426 114 HB2 TYR 18 HB2 TYR 18 17.590 29.815 30.547 115 HB3 TYR 18 HB3 TYR 18 18.109 31.463 30.289 116 HD1 TYR 18 HD1 TYR 18 18.756 28.393 32.283 117 HD2 TYR 18 HD2 TYR 18 20.119 32.368 31.394 118 HE1 TYR 18 HE1 TYR 18 20.988 27.821 33.203 119 HE2 TYR 18 HE2 TYR 18 22.364 31.781 32.278 120 HH TYR 18 HH TYR 18 23.769 29.937 32.855 121 H ARG 19 H ARG 19 16.362 33.054 30.238 122 HA ARG 19 HA ARG 19 13.520 32.255 29.620 123 HB2 ARG 19 HB2 ARG 19 14.869 34.933 29.880 124 HB3 ARG 19 HB3 ARG 19 13.621 34.731 28.663 125 HG2 ARG 19 HG2 ARG 19 12.570 35.598 30.604 126 HG3 ARG 19 HG3 ARG 19 12.010 33.953 30.332 127 HD2 ARG 19 HD2 ARG 19 12.311 34.335 32.675 128 HD3 ARG 19 HD3 ARG 19 13.505 33.143 32.153 129 HE ARG 19 HE ARG 19 14.925 35.493 31.976 130 HH11 ARG 19 HH11 ARG 19 13.152 34.091 34.686 131 HH12 ARG 19 HH12 ARG 19 13.974 35.177 35.806 132 HH21 ARG 19 HH21 ARG 19 15.987 36.565 33.430 133 HH22 ARG 19 HH22 ARG 19 15.676 36.398 35.149 134 H GLN 20 H GLN 20 16.690 32.860 28.181 135 HA GLN 20 HA GLN 20 15.651 31.700 25.635 136 HB2 GLN 20 HB2 GLN 20 15.552 34.181 25.439 137 HB3 GLN 20 HB3 GLN 20 17.268 34.268 25.843 138 HG2 GLN 20 HG2 GLN 20 17.766 32.929 23.762 139 HG3 GLN 20 HG3 GLN 20 16.050 33.002 23.357 140 HE21 GLN 20 HE21 GLN 20 17.628 35.643 21.368 141 HE22 GLN 20 HE22 GLN 20 17.406 33.896 21.399 142 H GLY 21 H GLY 21 17.029 30.349 24.633 143 HA2 GLY 21 HA2 GLY 21 19.916 30.249 25.438 144 HA3 GLY 21 HA3 GLY 21 18.997 28.863 24.857 145 H LYS 22 H LYS 22 21.422 30.504 23.852 146 HA LYS 22 HA LYS 22 20.723 30.399 20.973 147 HB2 LYS 22 HB2 LYS 22 20.431 32.805 21.777 148 HB3 LYS 22 HB3 LYS 22 22.109 32.753 22.304 149 HG2 LYS 22 HG2 LYS 22 22.367 33.860 20.373 150 HG3 LYS 22 HG3 LYS 22 22.667 32.228 19.791 151 HD2 LYS 22 HD2 LYS 22 20.069 33.818 19.583 152 HD3 LYS 22 HD3 LYS 22 21.248 33.567 18.288 153 HE2 LYS 22 HE2 LYS 22 20.823 31.112 18.382 154 HE3 LYS 22 HE3 LYS 22 19.613 31.393 19.659 155 HZ1 LYS 22 HZ1 LYS 22 18.537 31.255 17.518 156 HZ2 LYS 22 HZ2 LYS 22 18.421 32.818 18.066 157 HZ3 LYS 22 HZ3 LYS 22 19.497 32.457 16.904 158 H CYS 23 H CYS 23 22.196 29.161 19.993 159 HA CYS 23 HA CYS 23 24.927 28.947 21.166 160 HB2 CYS 23 HB2 CYS 23 23.680 26.889 20.659 161 HB3 CYS 23 HB3 CYS 23 23.660 27.346 18.950 162 H TRP 24 H TRP 24 26.568 30.002 20.419 163 HA TRP 24 HA TRP 24 26.389 31.490 17.831 164 HB2 TRP 24 HB2 TRP 24 28.108 31.962 20.296 165 HB3 TRP 24 HB3 TRP 24 28.092 32.962 18.853 166 HD1 TRP 24 HD1 TRP 24 25.939 32.144 21.906 167 HE1 TRP 24 HE1 TRP 24 24.390 34.122 22.369 168 HE3 TRP 24 HE3 TRP 24 26.840 34.913 17.675 169 HZ2 TRP 24 HZ2 TRP 24 23.637 36.585 21.111 170 HZ3 TRP 24 HZ3 TRP 24 25.691 37.099 17.359 171 HH2 TRP 24 HH2 TRP 24 24.102 37.947 19.060 172 H GLY 25 H GLY 25 27.287 28.588 18.074 173 HA2 GLY 25 HA2 GLY 25 28.957 27.203 17.294 174 HA3 GLY 25 HA3 GLY 25 29.751 28.609 16.589 175 H LYS 26 H LYS 26 29.913 29.861 19.357 176 HA LYS 26 HA LYS 26 32.380 28.755 20.431 177 HB2 LYS 26 HB2 LYS 26 30.401 30.809 21.501 178 HB3 LYS 26 HB3 LYS 26 31.956 30.400 22.233 179 HG2 LYS 26 HG2 LYS 26 33.164 31.208 20.274 180 HG3 LYS 26 HG3 LYS 26 31.654 31.501 19.402 181 HD2 LYS 26 HD2 LYS 26 32.537 33.616 20.304 182 HD3 LYS 26 HD3 LYS 26 30.977 33.206 21.012 183 HE2 LYS 26 HE2 LYS 26 32.251 33.948 22.847 184 HE3 LYS 26 HE3 LYS 26 32.250 32.191 22.988 185 HZ1 LYS 26 HZ1 LYS 26 34.480 32.690 21.506 186 HZ2 LYS 26 HZ2 LYS 26 34.449 33.985 22.496 187 HZ3 LYS 26 HZ3 LYS 26 34.483 32.478 23.138 188 H TYR 27 H TYR 27 29.061 28.923 21.755 189 HA TYR 27 HA TYR 27 29.102 26.382 23.101 190 HB2 TYR 27 HB2 TYR 27 30.519 27.929 24.613 191 HB3 TYR 27 HB3 TYR 27 29.084 28.917 24.796 192 HD1 TYR 27 HD1 TYR 27 27.687 28.508 26.669 193 HD2 TYR 27 HD2 TYR 27 30.319 25.398 25.258 194 HE1 TYR 27 HE1 TYR 27 27.205 27.173 28.711 195 HE2 TYR 27 HE2 TYR 27 29.838 24.067 27.306 196 HH TYR 27 HH TYR 27 27.651 25.248 29.897 197 H CYS 28 H CYS 28 26.904 26.032 24.046 198 HA CYS 28 HA CYS 28 24.827 27.796 22.915 199 HB2 CYS 28 HB2 CYS 28 24.599 25.350 22.859 200 HB3 CYS 28 HB3 CYS 28 24.551 25.331 24.624 201 H GLN 29 H GLN 29 25.256 29.724 23.886 202 HA GLN 29 HA GLN 29 25.367 30.164 26.755 203 HB2 GLN 29 HB2 GLN 29 24.851 32.016 24.401 204 HB3 GLN 29 HB3 GLN 29 25.062 32.559 26.071 205 HG2 GLN 29 HG2 GLN 29 27.354 31.660 26.110 206 HG3 GLN 29 HG3 GLN 29 27.166 31.033 24.472 207 HE21 GLN 29 HE21 GLN 29 29.005 34.109 23.903 208 HE22 GLN 29 HE22 GLN 29 29.267 32.447 24.425 209 H CYS 30 H CYS 30 23.788 31.109 28.090 210 HA CYS 30 HA CYS 30 21.014 31.270 27.084 211 HB2 CYS 30 HB2 CYS 30 21.864 29.680 29.522 212 HB3 CYS 30 HB3 CYS 30 20.204 30.159 29.176 213 H TYR 31 H TYR 31 19.624 32.577 28.225 214 HA TYR 31 HA TYR 31 20.791 34.612 30.052 215 HB2 TYR 31 HB2 TYR 31 19.093 35.402 27.696 216 HB3 TYR 31 HB3 TYR 31 20.187 36.383 28.645 217 HD1 TYR 31 HD1 TYR 31 22.687 36.191 28.231 218 HD2 TYR 31 HD2 TYR 31 19.784 34.091 25.839 219 HE1 TYR 31 HE1 TYR 31 24.420 35.785 26.473 220 HE2 TYR 31 HE2 TYR 31 21.497 33.722 24.085 221 HH TYR 31 HH TYR 31 24.898 34.585 24.492
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