NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
637428 | 6d93 | 30466 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 H1 ALA 1 18.323 20.959 28.496 2 H2 ALA 1 H2 ALA 1 18.971 22.098 27.504 3 H3 ALA 1 H3 ALA 1 19.944 21.273 28.527 4 HA ALA 1 HA ALA 1 19.640 19.244 27.448 5 HB1 ALA 1 HB1 ALA 1 18.311 19.054 25.390 6 HB2 ALA 1 HB2 ALA 1 17.322 19.469 26.795 7 HB3 ALA 1 HB3 ALA 1 17.724 20.723 25.606 8 H PHE 2 H PHE 2 19.533 21.792 24.845 9 HA PHE 2 HA PHE 2 22.348 20.986 24.266 10 HB2 PHE 2 HB2 PHE 2 20.174 21.724 22.293 11 HB3 PHE 2 HB3 PHE 2 21.772 21.103 21.922 12 HD1 PHE 2 HD1 PHE 2 22.413 18.743 22.818 13 HD2 PHE 2 HD2 PHE 2 18.362 20.199 22.530 14 HE1 PHE 2 HE1 PHE 2 21.565 16.401 22.856 15 HE2 PHE 2 HE2 PHE 2 17.524 17.860 22.584 16 HZ PHE 2 HZ PHE 2 19.120 15.963 22.757 17 H CYS 3 H CYS 3 21.217 23.555 25.650 18 HA CYS 3 HA CYS 3 23.057 25.410 24.238 19 HB2 CYS 3 HB2 CYS 3 20.869 25.756 23.203 20 HB3 CYS 3 HB3 CYS 3 20.140 25.996 24.790 21 H ASN 4 H ASN 4 24.425 26.132 25.678 22 HA ASN 4 HA ASN 4 23.841 26.366 28.551 23 HB2 ASN 4 HB2 ASN 4 26.400 26.854 26.967 24 HB3 ASN 4 HB3 ASN 4 26.251 26.861 28.724 25 HD21 ASN 4 HD21 ASN 4 25.973 23.283 28.988 26 HD22 ASN 4 HD22 ASN 4 25.525 24.793 29.775 27 H LEU 5 H LEU 5 22.171 27.888 27.504 28 HA LEU 5 HA LEU 5 22.470 30.264 26.334 29 HB2 LEU 5 HB2 LEU 5 20.378 29.179 26.911 30 HB3 LEU 5 HB3 LEU 5 20.554 29.599 28.595 31 HG LEU 5 HG LEU 5 18.879 30.881 27.206 32 HD11 LEU 5 HD11 LEU 5 19.194 32.959 28.345 33 HD12 LEU 5 HD12 LEU 5 19.626 31.631 29.426 34 HD13 LEU 5 HD13 LEU 5 20.891 32.621 28.672 35 HD21 LEU 5 HD21 LEU 5 19.566 32.799 25.907 36 HD22 LEU 5 HD22 LEU 5 21.276 32.383 26.107 37 HD23 LEU 5 HD23 LEU 5 20.205 31.313 25.194 38 H ARG 6 H ARG 6 23.019 30.068 29.952 39 HA ARG 6 HA ARG 6 23.373 32.949 30.082 40 HB2 ARG 6 HB2 ARG 6 23.904 30.634 31.969 41 HB3 ARG 6 HB3 ARG 6 24.656 32.177 32.313 42 HG2 ARG 6 HG2 ARG 6 21.683 31.608 32.094 43 HG3 ARG 6 HG3 ARG 6 22.597 32.085 33.528 44 HD2 ARG 6 HD2 ARG 6 21.744 33.760 31.162 45 HD3 ARG 6 HD3 ARG 6 21.464 34.056 32.879 46 HE ARG 6 HE ARG 6 24.251 34.118 32.528 47 HH11 ARG 6 HH11 ARG 6 25.324 35.961 32.628 48 HH12 ARG 6 HH12 ARG 6 24.755 37.387 31.757 49 HH21 ARG 6 HH21 ARG 6 21.712 35.993 30.958 50 HH22 ARG 6 HH22 ARG 6 22.588 37.495 31.250 51 H ARG 7 H ARG 7 25.681 30.368 29.652 52 HA ARG 7 HA ARG 7 28.071 31.946 29.565 53 HB2 ARG 7 HB2 ARG 7 27.523 29.280 29.502 54 HB3 ARG 7 HB3 ARG 7 27.707 29.541 27.765 55 HG2 ARG 7 HG2 ARG 7 29.946 30.647 28.302 56 HG3 ARG 7 HG3 ARG 7 29.716 30.118 29.974 57 HD2 ARG 7 HD2 ARG 7 29.883 28.331 27.515 58 HD3 ARG 7 HD3 ARG 7 31.178 28.571 28.696 59 HE ARG 7 HE ARG 7 29.139 27.637 30.284 60 HH11 ARG 7 HH11 ARG 7 30.630 26.256 27.354 61 HH12 ARG 7 HH12 ARG 7 29.937 24.684 27.755 62 HH21 ARG 7 HH21 ARG 7 28.498 25.552 30.662 63 HH22 ARG 7 HH22 ARG 7 28.856 24.318 29.463 64 H CYS 8 H CYS 8 25.669 31.130 27.066 65 HA CYS 8 HA CYS 8 26.919 32.600 24.946 66 HB2 CYS 8 HB2 CYS 8 23.961 32.019 25.347 67 HB3 CYS 8 HB3 CYS 8 24.754 32.464 23.847 68 H GLU 9 H GLU 9 24.321 33.587 27.266 69 HA GLU 9 HA GLU 9 23.943 36.207 26.211 70 HB2 GLU 9 HB2 GLU 9 23.375 35.005 28.949 71 HB3 GLU 9 HB3 GLU 9 23.047 36.697 28.567 72 HG2 GLU 9 HG2 GLU 9 21.680 35.893 26.583 73 HG3 GLU 9 HG3 GLU 9 21.779 34.278 27.260 74 H LEU 10 H LEU 10 26.240 35.114 28.745 75 HA LEU 10 HA LEU 10 27.196 37.815 29.212 76 HB2 LEU 10 HB2 LEU 10 28.594 36.941 30.821 77 HB3 LEU 10 HB3 LEU 10 27.185 35.905 30.846 78 HG LEU 10 HG LEU 10 28.659 34.383 29.245 79 HD11 LEU 10 HD11 LEU 10 30.776 35.836 30.897 80 HD12 LEU 10 HD12 LEU 10 31.038 34.395 29.891 81 HD13 LEU 10 HD13 LEU 10 30.633 35.938 29.136 82 HD21 LEU 10 HD21 LEU 10 27.791 33.712 31.446 83 HD22 LEU 10 HD22 LEU 10 29.464 33.170 31.242 84 HD23 LEU 10 HD23 LEU 10 29.109 34.593 32.244 85 H SER 11 H SER 11 28.250 35.184 27.050 86 HA SER 11 HA SER 11 30.634 36.469 26.085 87 HB2 SER 11 HB2 SER 11 30.059 34.087 25.727 88 HB3 SER 11 HB3 SER 11 28.760 34.565 24.624 89 HG SER 11 HG SER 11 30.199 35.053 23.119 90 H CYS 12 H CYS 12 27.203 36.727 25.090 91 HA CYS 12 HA CYS 12 27.733 38.619 22.956 92 HB2 CYS 12 HB2 CYS 12 25.145 38.133 24.467 93 HB3 CYS 12 HB3 CYS 12 25.336 38.971 22.921 94 H ARG 13 H ARG 13 26.735 39.059 26.422 95 HA ARG 13 HA ARG 13 26.599 41.882 26.431 96 HB2 ARG 13 HB2 ARG 13 26.003 40.203 28.247 97 HB3 ARG 13 HB3 ARG 13 27.700 40.119 28.674 98 HG2 ARG 13 HG2 ARG 13 25.913 42.590 28.782 99 HG3 ARG 13 HG3 ARG 13 26.323 41.556 30.139 100 HD2 ARG 13 HD2 ARG 13 28.127 43.487 28.696 101 HD3 ARG 13 HD3 ARG 13 27.622 43.509 30.376 102 HE ARG 13 HE ARG 13 28.939 41.131 30.301 103 HH11 ARG 13 HH11 ARG 13 30.012 44.355 29.293 104 HH12 ARG 13 HH12 ARG 13 31.684 43.865 29.362 105 HH21 ARG 13 HH21 ARG 13 31.054 40.672 30.443 106 HH22 ARG 13 HH22 ARG 13 32.265 41.869 30.037 107 H SER 14 H SER 14 29.404 39.775 26.806 108 HA SER 14 HA SER 14 31.393 41.765 27.265 109 HB2 SER 14 HB2 SER 14 31.723 39.074 25.876 110 HB3 SER 14 HB3 SER 14 33.009 40.059 26.586 111 HG SER 14 HG SER 14 30.838 38.792 27.940 112 H LEU 15 H LEU 15 29.856 40.866 24.143 113 HA LEU 15 HA LEU 15 31.777 42.266 22.435 114 HB2 LEU 15 HB2 LEU 15 31.103 40.236 21.805 115 HB3 LEU 15 HB3 LEU 15 29.412 40.496 22.221 116 HG LEU 15 HG LEU 15 29.044 41.965 20.539 117 HD11 LEU 15 HD11 LEU 15 30.757 42.516 18.715 118 HD12 LEU 15 HD12 LEU 15 31.150 43.298 20.235 119 HD13 LEU 15 HD13 LEU 15 32.023 41.833 19.754 120 HD21 LEU 15 HD21 LEU 15 29.162 39.524 20.049 121 HD22 LEU 15 HD22 LEU 15 29.635 40.425 18.587 122 HD23 LEU 15 HD23 LEU 15 30.890 39.728 19.653 123 H GLY 16 H GLY 16 28.419 42.483 23.687 124 HA2 GLY 16 HA2 GLY 16 28.156 44.938 24.548 125 HA3 GLY 16 HA3 GLY 16 28.134 45.317 22.831 126 H LEU 17 H LEU 17 26.443 42.333 23.353 127 HA LEU 17 HA LEU 17 23.832 43.724 23.523 128 HB2 LEU 17 HB2 LEU 17 23.136 42.970 21.395 129 HB3 LEU 17 HB3 LEU 17 24.620 43.869 21.183 130 HG LEU 17 HG LEU 17 24.157 40.876 21.051 131 HD11 LEU 17 HD11 LEU 17 23.363 42.300 19.119 132 HD12 LEU 17 HD12 LEU 17 25.028 42.848 18.885 133 HD13 LEU 17 HD13 LEU 17 24.613 41.137 18.667 134 HD21 LEU 17 HD21 LEU 17 26.507 40.772 20.077 135 HD22 LEU 17 HD22 LEU 17 26.750 42.417 20.701 136 HD23 LEU 17 HD23 LEU 17 26.418 41.057 21.811 137 H LEU 18 H LEU 18 22.005 41.924 22.945 138 HA LEU 18 HA LEU 18 22.172 40.078 25.212 139 HB2 LEU 18 HB2 LEU 18 19.976 40.702 23.188 140 HB3 LEU 18 HB3 LEU 18 19.847 39.458 24.419 141 HG LEU 18 HG LEU 18 20.552 41.504 26.046 142 HD11 LEU 18 HD11 LEU 18 19.309 43.533 25.364 143 HD12 LEU 18 HD12 LEU 18 20.618 43.189 24.229 144 HD13 LEU 18 HD13 LEU 18 18.941 42.795 23.791 145 HD21 LEU 18 HD21 LEU 18 18.580 40.053 26.294 146 HD22 LEU 18 HD22 LEU 18 18.170 41.751 26.556 147 HD23 LEU 18 HD23 LEU 18 17.734 40.966 25.020 148 H GLY 19 H GLY 19 21.585 37.808 25.057 149 HA2 GLY 19 HA2 GLY 19 22.535 36.459 22.550 150 HA3 GLY 19 HA3 GLY 19 22.807 35.810 24.156 151 H LYS 20 H LYS 20 21.481 34.562 21.897 152 HA LYS 20 HA LYS 20 19.053 33.627 23.317 153 HB2 LYS 20 HB2 LYS 20 17.630 33.707 21.415 154 HB3 LYS 20 HB3 LYS 20 18.259 35.327 21.721 155 HG2 LYS 20 HG2 LYS 20 19.988 34.919 19.910 156 HG3 LYS 20 HG3 LYS 20 19.185 33.387 19.534 157 HD2 LYS 20 HD2 LYS 20 17.817 36.086 19.510 158 HD3 LYS 20 HD3 LYS 20 18.585 35.357 18.086 159 HE2 LYS 20 HE2 LYS 20 17.043 33.413 18.255 160 HE3 LYS 20 HE3 LYS 20 16.225 34.187 19.624 161 HZ1 LYS 20 HZ1 LYS 20 15.143 34.579 17.420 162 HZ2 LYS 20 HZ2 LYS 20 15.556 35.982 18.189 163 HZ3 LYS 20 HZ3 LYS 20 16.457 35.422 16.933 164 H CYS 21 H CYS 21 18.466 31.458 22.844 165 HA CYS 21 HA CYS 21 20.574 29.796 21.586 166 HB2 CYS 21 HB2 CYS 21 17.833 29.060 22.598 167 HB3 CYS 21 HB3 CYS 21 19.079 27.935 22.056 168 H ILE 22 H ILE 22 20.294 28.575 19.712 169 HA ILE 22 HA ILE 22 17.996 29.202 17.882 170 HB ILE 22 HB ILE 22 20.802 28.238 17.214 171 HG12 ILE 22 HG12 ILE 22 20.976 30.553 17.935 172 HG13 ILE 22 HG13 ILE 22 21.241 30.403 16.212 173 HG21 ILE 22 HG21 ILE 22 18.521 29.053 15.388 174 HG22 ILE 22 HG22 ILE 22 20.184 28.719 14.865 175 HG23 ILE 22 HG23 ILE 22 19.210 27.427 15.571 176 HD11 ILE 22 HD11 ILE 22 19.918 32.409 16.778 177 HD12 ILE 22 HD12 ILE 22 19.004 31.315 15.732 178 HD13 ILE 22 HD13 ILE 22 18.647 31.398 17.474 179 H GLY 23 H GLY 23 20.064 26.693 19.278 180 HA2 GLY 23 HA2 GLY 23 18.149 24.625 19.508 181 HA3 GLY 23 HA3 GLY 23 18.953 24.437 17.938 182 H GLU 24 H GLU 24 20.808 23.280 17.969 183 HA GLU 24 HA GLU 24 22.305 22.741 20.427 184 HB2 GLU 24 HB2 GLU 24 23.779 21.458 19.020 185 HB3 GLU 24 HB3 GLU 24 22.110 20.996 18.757 186 HG2 GLU 24 HG2 GLU 24 23.304 23.053 16.888 187 HG3 GLU 24 HG3 GLU 24 23.877 21.393 16.784 188 H GLU 25 H GLU 25 22.106 25.512 18.775 189 HA GLU 25 HA GLU 25 24.849 26.441 19.438 190 HB2 GLU 25 HB2 GLU 25 24.671 25.872 16.993 191 HB3 GLU 25 HB3 GLU 25 23.287 26.951 16.892 192 HG2 GLU 25 HG2 GLU 25 25.069 28.067 15.897 193 HG3 GLU 25 HG3 GLU 25 24.788 28.895 17.409 194 H CYS 26 H CYS 26 24.951 28.771 19.825 195 HA CYS 26 HA CYS 26 22.365 30.188 20.144 196 HB2 CYS 26 HB2 CYS 26 23.190 31.106 22.218 197 HB3 CYS 26 HB3 CYS 26 23.131 29.348 22.305 198 H LYS 27 H LYS 27 22.461 32.444 19.994 199 HA LYS 27 HA LYS 27 24.830 33.664 18.598 200 HB2 LYS 27 HB2 LYS 27 21.975 33.585 17.524 201 HB3 LYS 27 HB3 LYS 27 23.249 34.628 16.898 202 HG2 LYS 27 HG2 LYS 27 24.625 32.618 16.346 203 HG3 LYS 27 HG3 LYS 27 23.271 31.583 16.849 204 HD2 LYS 27 HD2 LYS 27 21.816 32.680 15.139 205 HD3 LYS 27 HD3 LYS 27 23.178 33.706 14.664 206 HE2 LYS 27 HE2 LYS 27 24.482 31.640 14.094 207 HE3 LYS 27 HE3 LYS 27 23.036 30.664 14.425 208 HZ1 LYS 27 HZ1 LYS 27 21.897 31.811 12.650 209 HZ2 LYS 27 HZ2 LYS 27 23.169 32.853 12.432 210 HZ3 LYS 27 HZ3 LYS 27 23.320 31.283 12.037 211 H CYS 28 H CYS 28 24.543 36.069 18.254 212 HA CYS 28 HA CYS 28 23.172 37.249 20.625 213 HB2 CYS 28 HB2 CYS 28 25.458 38.526 19.152 214 HB3 CYS 28 HB3 CYS 28 24.791 38.946 20.711 215 H VAL 29 H VAL 29 22.097 39.236 20.497 216 HA VAL 29 HA VAL 29 21.248 40.184 17.828 217 HB VAL 29 HB VAL 29 18.842 40.070 18.563 218 HG11 VAL 29 HG11 VAL 29 18.498 37.826 17.823 219 HG12 VAL 29 HG12 VAL 29 19.847 38.511 16.913 220 HG13 VAL 29 HG13 VAL 29 20.168 37.361 18.227 221 HG21 VAL 29 HG21 VAL 29 19.861 38.074 20.635 222 HG22 VAL 29 HG22 VAL 29 19.198 39.683 20.994 223 HG23 VAL 29 HG23 VAL 29 18.174 38.453 20.255 224 HA PRO 30 HA PRO 30 21.355 44.160 19.544 225 HB2 PRO 30 HB2 PRO 30 18.766 44.765 18.114 226 HB3 PRO 30 HB3 PRO 30 20.294 45.709 18.118 227 HG2 PRO 30 HG2 PRO 30 19.696 44.132 16.014 228 HG3 PRO 30 HG3 PRO 30 21.357 44.082 16.696 229 HD2 PRO 30 HD2 PRO 30 19.052 42.179 17.213 230 HD3 PRO 30 HD3 PRO 30 20.751 41.821 16.797 231 H ALA 31 H ALA 31 20.514 45.765 20.917 232 HA ALA 31 HA ALA 31 18.479 44.896 22.885 233 HB1 ALA 31 HB1 ALA 31 19.561 46.549 24.330 234 HB2 ALA 31 HB2 ALA 31 20.795 45.499 23.609 235 HB3 ALA 31 HB3 ALA 31 20.545 47.140 22.973 Start of MODEL 2 1 H1 ALA 1 H1 ALA 1 17.072 22.874 32.135 2 H2 ALA 1 H2 ALA 1 16.163 23.770 31.130 3 H3 ALA 1 H3 ALA 1 17.558 24.426 31.772 4 HA ALA 1 HA ALA 1 18.910 22.845 30.627 5 HB1 ALA 1 HB1 ALA 1 16.281 21.846 29.407 6 HB2 ALA 1 HB2 ALA 1 17.918 21.323 28.951 7 HB3 ALA 1 HB3 ALA 1 17.298 20.980 30.567 8 H PHE 2 H PHE 2 19.268 25.192 30.267 9 HA PHE 2 HA PHE 2 18.039 26.289 27.801 10 HB2 PHE 2 HB2 PHE 2 19.385 27.706 30.123 11 HB3 PHE 2 HB3 PHE 2 18.653 28.484 28.718 12 HD1 PHE 2 HD1 PHE 2 18.029 27.392 32.050 13 HD2 PHE 2 HD2 PHE 2 16.131 27.901 28.210 14 HE1 PHE 2 HE1 PHE 2 15.801 27.390 33.147 15 HE2 PHE 2 HE2 PHE 2 13.906 27.895 29.311 16 HZ PHE 2 HZ PHE 2 13.739 27.634 31.779 17 H CYS 3 H CYS 3 19.958 24.495 27.106 18 HA CYS 3 HA CYS 3 21.776 24.207 25.833 19 HB2 CYS 3 HB2 CYS 3 21.261 27.033 24.925 20 HB3 CYS 3 HB3 CYS 3 21.756 25.646 23.971 21 H ASN 4 H ASN 4 22.655 25.697 28.396 22 HA ASN 4 HA ASN 4 24.404 26.841 29.263 23 HB2 ASN 4 HB2 ASN 4 25.770 25.378 27.026 24 HB3 ASN 4 HB3 ASN 4 26.640 26.714 27.760 25 HD21 ASN 4 HD21 ASN 4 25.918 23.464 30.104 26 HD22 ASN 4 HD22 ASN 4 25.068 23.573 28.577 27 H LEU 5 H LEU 5 22.444 28.224 27.822 28 HA LEU 5 HA LEU 5 23.477 30.153 25.997 29 HB2 LEU 5 HB2 LEU 5 21.158 29.398 26.003 30 HB3 LEU 5 HB3 LEU 5 20.918 30.030 27.637 31 HG LEU 5 HG LEU 5 21.128 32.337 26.809 32 HD11 LEU 5 HD11 LEU 5 21.505 31.057 24.080 33 HD12 LEU 5 HD12 LEU 5 21.216 32.790 24.404 34 HD13 LEU 5 HD13 LEU 5 22.695 32.038 24.961 35 HD21 LEU 5 HD21 LEU 5 19.182 30.641 25.229 36 HD22 LEU 5 HD22 LEU 5 18.950 31.271 26.867 37 HD23 LEU 5 HD23 LEU 5 19.065 32.399 25.513 38 H ARG 6 H ARG 6 22.933 30.312 29.542 39 HA ARG 6 HA ARG 6 23.262 33.095 29.904 40 HB2 ARG 6 HB2 ARG 6 22.732 31.083 31.565 41 HB3 ARG 6 HB3 ARG 6 24.451 31.135 31.873 42 HG2 ARG 6 HG2 ARG 6 22.489 33.418 32.311 43 HG3 ARG 6 HG3 ARG 6 23.076 32.306 33.524 44 HD2 ARG 6 HD2 ARG 6 24.404 34.089 33.963 45 HD3 ARG 6 HD3 ARG 6 25.469 33.181 32.888 46 HE ARG 6 HE ARG 6 24.328 34.744 31.074 47 HH11 ARG 6 HH11 ARG 6 25.700 35.805 34.162 48 HH12 ARG 6 HH12 ARG 6 25.703 37.476 33.609 49 HH21 ARG 6 HH21 ARG 6 24.146 36.911 30.661 50 HH22 ARG 6 HH22 ARG 6 24.981 38.028 31.756 51 H ARG 7 H ARG 7 25.704 30.542 29.695 52 HA ARG 7 HA ARG 7 28.046 32.250 29.967 53 HB2 ARG 7 HB2 ARG 7 27.616 29.404 28.969 54 HB3 ARG 7 HB3 ARG 7 29.216 30.160 29.064 55 HG2 ARG 7 HG2 ARG 7 29.083 30.432 31.433 56 HG3 ARG 7 HG3 ARG 7 27.363 30.044 31.469 57 HD2 ARG 7 HD2 ARG 7 27.945 27.744 30.628 58 HD3 ARG 7 HD3 ARG 7 29.649 28.138 30.896 59 HE ARG 7 HE ARG 7 29.068 28.530 33.306 60 HH11 ARG 7 HH11 ARG 7 26.848 26.427 31.533 61 HH12 ARG 7 HH12 ARG 7 26.070 25.909 33.007 62 HH21 ARG 7 HH21 ARG 7 28.131 27.777 35.042 63 HH22 ARG 7 HH22 ARG 7 26.787 26.648 34.962 64 H CYS 8 H CYS 8 26.192 31.108 27.143 65 HA CYS 8 HA CYS 8 28.052 32.179 25.176 66 HB2 CYS 8 HB2 CYS 8 26.362 30.506 24.557 67 HB3 CYS 8 HB3 CYS 8 25.072 31.611 25.038 68 H GLU 9 H GLU 9 25.011 33.481 26.615 69 HA GLU 9 HA GLU 9 25.242 35.920 25.062 70 HB2 GLU 9 HB2 GLU 9 23.274 36.650 26.173 71 HB3 GLU 9 HB3 GLU 9 23.119 34.981 25.610 72 HG2 GLU 9 HG2 GLU 9 22.395 34.344 27.565 73 HG3 GLU 9 HG3 GLU 9 23.911 34.842 28.332 74 H LEU 10 H LEU 10 26.373 35.058 28.228 75 HA LEU 10 HA LEU 10 27.003 37.614 29.312 76 HB2 LEU 10 HB2 LEU 10 27.100 35.703 30.707 77 HB3 LEU 10 HB3 LEU 10 27.992 34.765 29.511 78 HG LEU 10 HG LEU 10 29.943 36.056 29.844 79 HD11 LEU 10 HD11 LEU 10 28.466 37.355 32.195 80 HD12 LEU 10 HD12 LEU 10 30.196 37.546 31.838 81 HD13 LEU 10 HD13 LEU 10 28.993 38.205 30.727 82 HD21 LEU 10 HD21 LEU 10 29.616 33.976 31.081 83 HD22 LEU 10 HD22 LEU 10 30.548 35.123 32.050 84 HD23 LEU 10 HD23 LEU 10 28.827 34.862 32.407 85 H SER 11 H SER 11 28.859 35.447 27.098 86 HA SER 11 HA SER 11 31.170 37.124 26.821 87 HB2 SER 11 HB2 SER 11 31.083 34.733 26.204 88 HB3 SER 11 HB3 SER 11 29.955 35.107 24.894 89 HG SER 11 HG SER 11 31.817 35.081 23.916 90 H CYS 12 H CYS 12 28.070 37.059 25.113 91 HA CYS 12 HA CYS 12 28.729 39.137 23.201 92 HB2 CYS 12 HB2 CYS 12 26.057 38.012 24.114 93 HB3 CYS 12 HB3 CYS 12 26.327 38.999 22.683 94 H ARG 13 H ARG 13 26.913 39.189 26.378 95 HA ARG 13 HA ARG 13 26.322 41.958 26.372 96 HB2 ARG 13 HB2 ARG 13 26.680 39.846 28.532 97 HB3 ARG 13 HB3 ARG 13 26.200 41.507 28.880 98 HG2 ARG 13 HG2 ARG 13 24.158 41.345 27.679 99 HG3 ARG 13 HG3 ARG 13 24.671 39.890 26.838 100 HD2 ARG 13 HD2 ARG 13 23.103 39.180 28.424 101 HD3 ARG 13 HD3 ARG 13 24.679 38.649 29.019 102 HE ARG 13 HE ARG 13 24.436 40.992 30.332 103 HH11 ARG 13 HH11 ARG 13 22.151 38.308 30.092 104 HH12 ARG 13 HH12 ARG 13 21.160 38.961 31.394 105 HH21 ARG 13 HH21 ARG 13 23.297 41.352 32.347 106 HH22 ARG 13 HH22 ARG 13 21.778 40.514 32.566 107 H SER 14 H SER 14 29.254 40.238 27.395 108 HA SER 14 HA SER 14 30.726 42.497 28.343 109 HB2 SER 14 HB2 SER 14 31.606 39.916 27.007 110 HB3 SER 14 HB3 SER 14 32.744 41.107 27.638 111 HG SER 14 HG SER 14 31.780 39.193 28.989 112 H LEU 15 H LEU 15 29.522 42.083 25.183 113 HA LEU 15 HA LEU 15 31.254 44.301 24.185 114 HB2 LEU 15 HB2 LEU 15 29.895 42.095 22.593 115 HB3 LEU 15 HB3 LEU 15 30.802 43.436 21.902 116 HG LEU 15 HG LEU 15 32.012 41.286 23.699 117 HD11 LEU 15 HD11 LEU 15 31.233 40.331 21.579 118 HD12 LEU 15 HD12 LEU 15 32.072 41.608 20.672 119 HD13 LEU 15 HD13 LEU 15 33.008 40.422 21.607 120 HD21 LEU 15 HD21 LEU 15 34.167 42.133 22.870 121 HD22 LEU 15 HD22 LEU 15 33.331 43.378 21.918 122 HD23 LEU 15 HD23 LEU 15 33.287 43.431 23.695 123 H GLY 16 H GLY 16 28.222 43.623 25.359 124 HA2 GLY 16 HA2 GLY 16 26.436 45.106 25.547 125 HA3 GLY 16 HA3 GLY 16 26.953 45.977 24.110 126 H LEU 17 H LEU 17 26.989 42.870 23.030 127 HA LEU 17 HA LEU 17 24.440 42.789 21.722 128 HB2 LEU 17 HB2 LEU 17 26.821 40.968 22.113 129 HB3 LEU 17 HB3 LEU 17 25.322 40.369 21.394 130 HG LEU 17 HG LEU 17 25.477 41.966 19.747 131 HD11 LEU 17 HD11 LEU 17 27.617 43.213 19.214 132 HD12 LEU 17 HD12 LEU 17 26.760 43.840 20.611 133 HD13 LEU 17 HD13 LEU 17 28.190 42.795 20.840 134 HD21 LEU 17 HD21 LEU 17 27.991 40.309 20.002 135 HD22 LEU 17 HD22 LEU 17 26.419 39.785 19.349 136 HD23 LEU 17 HD23 LEU 17 27.379 40.976 18.472 137 H LEU 18 H LEU 18 22.854 41.174 21.966 138 HA LEU 18 HA LEU 18 22.554 39.879 24.658 139 HB2 LEU 18 HB2 LEU 18 20.389 40.660 22.670 140 HB3 LEU 18 HB3 LEU 18 20.134 39.919 24.238 141 HG LEU 18 HG LEU 18 21.210 42.731 23.711 142 HD11 LEU 18 HD11 LEU 18 18.786 42.390 23.318 143 HD12 LEU 18 HD12 LEU 18 18.611 41.762 24.971 144 HD13 LEU 18 HD13 LEU 18 19.100 43.453 24.695 145 HD21 LEU 18 HD21 LEU 18 21.062 43.092 26.132 146 HD22 LEU 18 HD22 LEU 18 20.599 41.403 26.395 147 HD23 LEU 18 HD23 LEU 18 22.228 41.825 25.793 148 H GLY 19 H GLY 19 21.775 37.621 24.618 149 HA2 GLY 19 HA2 GLY 19 22.243 36.268 21.972 150 HA3 GLY 19 HA3 GLY 19 22.866 35.625 23.474 151 H LYS 20 H LYS 20 21.196 34.305 21.565 152 HA LYS 20 HA LYS 20 19.123 33.302 23.421 153 HB2 LYS 20 HB2 LYS 20 17.336 33.317 21.858 154 HB3 LYS 20 HB3 LYS 20 17.927 34.935 22.197 155 HG2 LYS 20 HG2 LYS 20 19.240 34.803 19.972 156 HG3 LYS 20 HG3 LYS 20 18.359 33.299 19.673 157 HD2 LYS 20 HD2 LYS 20 17.156 35.043 18.559 158 HD3 LYS 20 HD3 LYS 20 16.199 34.582 19.985 159 HE2 LYS 20 HE2 LYS 20 17.097 36.501 21.239 160 HE3 LYS 20 HE3 LYS 20 18.172 36.918 19.905 161 HZ1 LYS 20 HZ1 LYS 20 15.198 37.051 19.794 162 HZ2 LYS 20 HZ2 LYS 20 16.231 38.305 20.006 163 HZ3 LYS 20 HZ3 LYS 20 16.228 37.498 18.580 164 H CYS 21 H CYS 21 18.638 31.153 23.215 165 HA CYS 21 HA CYS 21 20.452 29.495 21.581 166 HB2 CYS 21 HB2 CYS 21 19.925 28.799 23.849 167 HB3 CYS 21 HB3 CYS 21 18.203 28.732 23.463 168 H ILE 22 H ILE 22 20.048 28.896 19.559 169 HA ILE 22 HA ILE 22 17.387 29.183 18.316 170 HB ILE 22 HB ILE 22 19.990 28.108 17.158 171 HG12 ILE 22 HG12 ILE 22 20.501 30.355 17.884 172 HG13 ILE 22 HG13 ILE 22 20.366 30.312 16.140 173 HG21 ILE 22 HG21 ILE 22 17.453 29.176 15.849 174 HG22 ILE 22 HG22 ILE 22 18.949 28.799 14.977 175 HG23 ILE 22 HG23 ILE 22 18.050 27.525 15.780 176 HD11 ILE 22 HD11 ILE 22 18.262 31.403 18.055 177 HD12 ILE 22 HD12 ILE 22 19.339 32.346 17.020 178 HD13 ILE 22 HD13 ILE 22 18.087 31.339 16.286 179 H GLY 23 H GLY 23 19.322 26.759 19.814 180 HA2 GLY 23 HA2 GLY 23 17.713 24.953 20.726 181 HA3 GLY 23 HA3 GLY 23 17.529 24.499 19.030 182 H GLU 24 H GLU 24 19.676 24.288 17.846 183 HA GLU 24 HA GLU 24 21.473 22.421 19.284 184 HB2 GLU 24 HB2 GLU 24 21.458 23.236 16.346 185 HB3 GLU 24 HB3 GLU 24 22.259 21.854 17.082 186 HG2 GLU 24 HG2 GLU 24 19.271 22.211 16.746 187 HG3 GLU 24 HG3 GLU 24 20.323 21.123 15.847 188 H GLU 25 H GLU 25 21.413 25.701 18.194 189 HA GLU 25 HA GLU 25 24.258 26.125 18.986 190 HB2 GLU 25 HB2 GLU 25 22.862 27.357 16.581 191 HB3 GLU 25 HB3 GLU 25 24.494 27.720 17.109 192 HG2 GLU 25 HG2 GLU 25 23.518 25.063 15.988 193 HG3 GLU 25 HG3 GLU 25 24.444 26.282 15.131 194 H CYS 26 H CYS 26 24.734 28.375 19.463 195 HA CYS 26 HA CYS 26 22.442 29.964 20.541 196 HB2 CYS 26 HB2 CYS 26 24.239 29.357 22.154 197 HB3 CYS 26 HB3 CYS 26 25.427 30.090 21.079 198 H LYS 27 H LYS 27 22.201 32.170 19.807 199 HA LYS 27 HA LYS 27 24.278 33.245 17.972 200 HB2 LYS 27 HB2 LYS 27 22.312 32.278 16.686 201 HB3 LYS 27 HB3 LYS 27 21.283 33.468 17.495 202 HG2 LYS 27 HG2 LYS 27 22.610 35.305 16.518 203 HG3 LYS 27 HG3 LYS 27 23.708 34.145 15.749 204 HD2 LYS 27 HD2 LYS 27 20.713 34.243 15.267 205 HD3 LYS 27 HD3 LYS 27 21.898 35.163 14.305 206 HE2 LYS 27 HE2 LYS 27 23.055 32.811 13.980 207 HE3 LYS 27 HE3 LYS 27 21.477 32.162 14.445 208 HZ1 LYS 27 HZ1 LYS 27 22.144 33.885 12.138 209 HZ2 LYS 27 HZ2 LYS 27 21.440 32.378 12.116 210 HZ3 LYS 27 HZ3 LYS 27 20.582 33.690 12.630 211 H CYS 28 H CYS 28 24.603 35.433 18.136 212 HA CYS 28 HA CYS 28 23.003 36.907 20.172 213 HB2 CYS 28 HB2 CYS 28 25.943 37.110 19.512 214 HB3 CYS 28 HB3 CYS 28 25.073 38.304 20.490 215 H VAL 29 H VAL 29 22.683 39.114 19.939 216 HA VAL 29 HA VAL 29 22.734 40.256 17.202 217 HB VAL 29 HB VAL 29 20.332 40.877 17.446 218 HG11 VAL 29 HG11 VAL 29 20.714 37.871 17.483 219 HG12 VAL 29 HG12 VAL 29 19.397 38.797 16.736 220 HG13 VAL 29 HG13 VAL 29 21.043 38.921 16.086 221 HG21 VAL 29 HG21 VAL 29 20.246 38.892 19.745 222 HG22 VAL 29 HG22 VAL 29 20.057 40.653 19.888 223 HG23 VAL 29 HG23 VAL 29 18.866 39.705 18.982 224 HA PRO 30 HA PRO 30 23.428 44.033 19.464 225 HB2 PRO 30 HB2 PRO 30 22.305 45.957 17.880 226 HB3 PRO 30 HB3 PRO 30 23.824 45.097 17.469 227 HG2 PRO 30 HG2 PRO 30 21.005 44.450 16.525 228 HG3 PRO 30 HG3 PRO 30 22.492 44.638 15.533 229 HD2 PRO 30 HD2 PRO 30 21.627 42.199 16.292 230 HD3 PRO 30 HD3 PRO 30 23.376 42.576 16.297 231 H ALA 31 H ALA 31 22.459 45.620 20.725 232 HA ALA 31 HA ALA 31 20.068 44.888 22.078 233 HB1 ALA 31 HB1 ALA 31 21.984 46.098 23.073 234 HB2 ALA 31 HB2 ALA 31 21.596 47.536 22.104 235 HB3 ALA 31 HB3 ALA 31 20.462 46.953 23.338 Start of MODEL 3 1 H1 ALA 1 H1 ALA 1 18.680 17.461 27.606 2 H2 ALA 1 H2 ALA 1 17.962 18.352 26.424 3 H3 ALA 1 H3 ALA 1 18.135 18.964 27.936 4 HA ALA 1 HA ALA 1 20.541 18.886 27.719 5 HB1 ALA 1 HB1 ALA 1 19.894 18.153 24.830 6 HB2 ALA 1 HB2 ALA 1 21.496 18.568 25.454 7 HB3 ALA 1 HB3 ALA 1 20.683 17.105 26.020 8 H PHE 2 H PHE 2 21.168 20.949 27.831 9 HA PHE 2 HA PHE 2 19.436 23.053 26.829 10 HB2 PHE 2 HB2 PHE 2 22.070 23.129 28.340 11 HB3 PHE 2 HB3 PHE 2 20.997 24.493 28.111 12 HD1 PHE 2 HD1 PHE 2 21.983 22.246 30.523 13 HD2 PHE 2 HD2 PHE 2 18.384 23.889 28.804 14 HE1 PHE 2 HE1 PHE 2 20.758 21.772 32.626 15 HE2 PHE 2 HE2 PHE 2 17.158 23.385 30.898 16 HZ PHE 2 HZ PHE 2 18.342 22.325 32.812 17 H CYS 3 H CYS 3 20.753 25.145 26.099 18 HA CYS 3 HA CYS 3 22.437 24.490 23.741 19 HB2 CYS 3 HB2 CYS 3 21.175 26.328 22.584 20 HB3 CYS 3 HB3 CYS 3 20.311 24.831 22.886 21 H ASN 4 H ASN 4 23.118 25.390 26.508 22 HA ASN 4 HA ASN 4 24.600 26.668 27.580 23 HB2 ASN 4 HB2 ASN 4 25.788 26.356 24.856 24 HB3 ASN 4 HB3 ASN 4 26.579 27.480 25.941 25 HD21 ASN 4 HD21 ASN 4 26.540 23.529 27.039 26 HD22 ASN 4 HD22 ASN 4 25.393 24.077 25.837 27 H LEU 5 H LEU 5 22.252 28.151 26.596 28 HA LEU 5 HA LEU 5 22.795 30.808 25.967 29 HB2 LEU 5 HB2 LEU 5 20.623 29.694 26.074 30 HB3 LEU 5 HB3 LEU 5 20.645 29.728 27.831 31 HG LEU 5 HG LEU 5 20.939 32.303 26.260 32 HD11 LEU 5 HD11 LEU 5 18.314 30.900 26.806 33 HD12 LEU 5 HD12 LEU 5 18.501 32.562 26.198 34 HD13 LEU 5 HD13 LEU 5 19.044 31.198 25.208 35 HD21 LEU 5 HD21 LEU 5 21.067 32.340 28.802 36 HD22 LEU 5 HD22 LEU 5 19.674 33.228 28.187 37 HD23 LEU 5 HD23 LEU 5 19.460 31.597 28.858 38 H ARG 6 H ARG 6 23.101 29.241 29.155 39 HA ARG 6 HA ARG 6 23.262 31.490 30.795 40 HB2 ARG 6 HB2 ARG 6 24.258 29.934 32.423 41 HB3 ARG 6 HB3 ARG 6 22.903 29.196 31.576 42 HG2 ARG 6 HG2 ARG 6 24.518 27.991 30.067 43 HG3 ARG 6 HG3 ARG 6 25.864 28.694 30.970 44 HD2 ARG 6 HD2 ARG 6 23.702 26.961 32.224 45 HD3 ARG 6 HD3 ARG 6 25.245 26.351 31.594 46 HE ARG 6 HE ARG 6 25.556 28.554 33.488 47 HH11 ARG 6 HH11 ARG 6 25.209 25.077 33.313 48 HH12 ARG 6 HH12 ARG 6 25.984 24.858 34.876 49 HH21 ARG 6 HH21 ARG 6 26.580 28.147 35.421 50 HH22 ARG 6 HH22 ARG 6 27.004 26.487 35.834 51 H ARG 7 H ARG 7 25.941 30.134 28.905 52 HA ARG 7 HA ARG 7 27.750 32.266 30.023 53 HB2 ARG 7 HB2 ARG 7 29.565 31.121 29.092 54 HB3 ARG 7 HB3 ARG 7 28.591 29.924 29.952 55 HG2 ARG 7 HG2 ARG 7 27.672 29.138 27.766 56 HG3 ARG 7 HG3 ARG 7 28.701 30.306 26.919 57 HD2 ARG 7 HD2 ARG 7 29.635 28.001 28.651 58 HD3 ARG 7 HD3 ARG 7 29.676 28.063 26.896 59 HE ARG 7 HE ARG 7 31.207 30.138 27.244 60 HH11 ARG 7 HH11 ARG 7 31.230 27.676 29.737 61 HH12 ARG 7 HH12 ARG 7 32.955 27.723 29.909 62 HH21 ARG 7 HH21 ARG 7 33.435 30.142 27.506 63 HH22 ARG 7 HH22 ARG 7 34.165 29.007 28.622 64 H CYS 8 H CYS 8 26.094 31.245 27.156 65 HA CYS 8 HA CYS 8 27.300 32.867 25.196 66 HB2 CYS 8 HB2 CYS 8 25.715 31.094 24.720 67 HB3 CYS 8 HB3 CYS 8 24.464 31.951 25.607 68 H GLU 9 H GLU 9 24.481 33.724 27.313 69 HA GLU 9 HA GLU 9 24.004 36.369 26.443 70 HB2 GLU 9 HB2 GLU 9 23.871 35.045 29.179 71 HB3 GLU 9 HB3 GLU 9 23.281 36.674 28.908 72 HG2 GLU 9 HG2 GLU 9 22.219 34.414 27.182 73 HG3 GLU 9 HG3 GLU 9 21.666 34.615 28.851 74 H LEU 10 H LEU 10 26.400 35.202 28.789 75 HA LEU 10 HA LEU 10 27.340 37.677 29.823 76 HB2 LEU 10 HB2 LEU 10 28.853 35.071 29.719 77 HB3 LEU 10 HB3 LEU 10 28.886 36.337 30.895 78 HG LEU 10 HG LEU 10 26.796 34.344 30.487 79 HD11 LEU 10 HD11 LEU 10 27.405 33.748 32.837 80 HD12 LEU 10 HD12 LEU 10 28.814 33.704 31.758 81 HD13 LEU 10 HD13 LEU 10 28.568 35.097 32.831 82 HD21 LEU 10 HD21 LEU 10 25.563 36.403 31.097 83 HD22 LEU 10 HD22 LEU 10 25.609 35.328 32.491 84 HD23 LEU 10 HD23 LEU 10 26.717 36.715 32.414 85 H SER 11 H SER 11 28.556 35.401 27.372 86 HA SER 11 HA SER 11 30.958 36.829 26.717 87 HB2 SER 11 HB2 SER 11 30.636 34.435 26.506 88 HB3 SER 11 HB3 SER 11 29.378 34.668 25.297 89 HG SER 11 HG SER 11 32.015 34.509 24.944 90 H CYS 12 H CYS 12 27.679 36.890 25.287 91 HA CYS 12 HA CYS 12 28.401 38.663 23.087 92 HB2 CYS 12 HB2 CYS 12 25.673 38.176 24.334 93 HB3 CYS 12 HB3 CYS 12 26.006 38.893 22.749 94 H ARG 13 H ARG 13 27.478 39.129 26.480 95 HA ARG 13 HA ARG 13 26.907 41.901 26.500 96 HB2 ARG 13 HB2 ARG 13 26.942 39.967 28.346 97 HB3 ARG 13 HB3 ARG 13 28.522 40.641 28.722 98 HG2 ARG 13 HG2 ARG 13 27.602 42.735 29.353 99 HG3 ARG 13 HG3 ARG 13 26.034 42.384 28.609 100 HD2 ARG 13 HD2 ARG 13 27.186 40.755 30.914 101 HD3 ARG 13 HD3 ARG 13 26.122 42.146 31.154 102 HE ARG 13 HE ARG 13 24.644 40.675 29.424 103 HH11 ARG 13 HH11 ARG 13 26.182 39.570 32.436 104 HH12 ARG 13 HH12 ARG 13 24.766 38.626 32.838 105 HH21 ARG 13 HH21 ARG 13 23.082 39.203 29.912 106 HH22 ARG 13 HH22 ARG 13 23.273 38.178 31.308 107 H SER 14 H SER 14 30.006 40.260 26.246 108 HA SER 14 HA SER 14 31.775 42.489 26.689 109 HB2 SER 14 HB2 SER 14 32.425 40.076 26.649 110 HB3 SER 14 HB3 SER 14 32.166 40.069 24.897 111 HG SER 14 HG SER 14 34.334 40.363 25.374 112 H LEU 15 H LEU 15 29.779 41.693 23.927 113 HA LEU 15 HA LEU 15 30.981 43.887 22.297 114 HB2 LEU 15 HB2 LEU 15 29.181 41.579 21.501 115 HB3 LEU 15 HB3 LEU 15 29.788 42.824 20.404 116 HG LEU 15 HG LEU 15 31.489 40.775 21.901 117 HD11 LEU 15 HD11 LEU 15 31.821 39.779 19.687 118 HD12 LEU 15 HD12 LEU 15 30.102 39.797 20.110 119 HD13 LEU 15 HD13 LEU 15 30.744 40.991 18.958 120 HD21 LEU 15 HD21 LEU 15 32.795 42.821 21.503 121 HD22 LEU 15 HD22 LEU 15 33.316 41.539 20.405 122 HD23 LEU 15 HD23 LEU 15 32.271 42.842 19.801 123 H GLY 16 H GLY 16 28.418 43.335 24.411 124 HA2 GLY 16 HA2 GLY 16 27.015 45.038 25.168 125 HA3 GLY 16 HA3 GLY 16 27.187 45.909 23.646 126 H LEU 17 H LEU 17 26.208 42.501 23.588 127 HA LEU 17 HA LEU 17 23.366 43.243 23.272 128 HB2 LEU 17 HB2 LEU 17 23.122 42.253 21.154 129 HB3 LEU 17 HB3 LEU 17 24.366 43.474 21.029 130 HG LEU 17 HG LEU 17 24.852 40.473 21.254 131 HD11 LEU 17 HD11 LEU 17 25.253 40.556 18.811 132 HD12 LEU 17 HD12 LEU 17 23.597 41.011 19.203 133 HD13 LEU 17 HD13 LEU 17 24.773 42.267 18.783 134 HD21 LEU 17 HD21 LEU 17 26.867 41.715 21.818 135 HD22 LEU 17 HD22 LEU 17 27.066 41.036 20.210 136 HD23 LEU 17 HD23 LEU 17 26.678 42.763 20.395 137 H LEU 18 H LEU 18 21.992 41.235 22.824 138 HA LEU 18 HA LEU 18 22.355 39.556 25.207 139 HB2 LEU 18 HB2 LEU 18 20.099 39.644 23.176 140 HB3 LEU 18 HB3 LEU 18 20.052 38.886 24.765 141 HG LEU 18 HG LEU 18 20.250 41.884 24.211 142 HD11 LEU 18 HD11 LEU 18 18.045 40.912 23.715 143 HD12 LEU 18 HD12 LEU 18 17.984 40.185 25.337 144 HD13 LEU 18 HD13 LEU 18 17.981 41.952 25.143 145 HD21 LEU 18 HD21 LEU 18 20.004 40.393 26.862 146 HD22 LEU 18 HD22 LEU 18 21.406 41.350 26.320 147 HD23 LEU 18 HD23 LEU 18 19.869 42.151 26.645 148 H GLY 19 H GLY 19 21.783 37.202 25.070 149 HA2 GLY 19 HA2 GLY 19 22.817 35.860 22.580 150 HA3 GLY 19 HA3 GLY 19 22.965 35.195 24.202 151 H LYS 20 H LYS 20 21.458 34.432 21.554 152 HA LYS 20 HA LYS 20 18.972 33.478 22.929 153 HB2 LYS 20 HB2 LYS 20 18.325 35.363 21.530 154 HB3 LYS 20 HB3 LYS 20 19.170 34.681 20.139 155 HG2 LYS 20 HG2 LYS 20 17.612 32.763 20.118 156 HG3 LYS 20 HG3 LYS 20 16.753 33.420 21.510 157 HD2 LYS 20 HD2 LYS 20 17.022 34.743 18.779 158 HD3 LYS 20 HD3 LYS 20 15.641 33.792 19.299 159 HE2 LYS 20 HE2 LYS 20 16.529 36.451 20.501 160 HE3 LYS 20 HE3 LYS 20 15.171 36.185 19.407 161 HZ1 LYS 20 HZ1 LYS 20 14.344 34.605 21.234 162 HZ2 LYS 20 HZ2 LYS 20 15.428 35.339 22.225 163 HZ3 LYS 20 HZ3 LYS 20 14.213 36.203 21.516 164 H CYS 21 H CYS 21 18.525 31.350 22.627 165 HA CYS 21 HA CYS 21 20.386 29.668 21.155 166 HB2 CYS 21 HB2 CYS 21 17.732 29.004 22.415 167 HB3 CYS 21 HB3 CYS 21 18.818 27.856 21.620 168 H ILE 22 H ILE 22 20.480 29.204 19.152 169 HA ILE 22 HA ILE 22 18.095 29.251 17.351 170 HB ILE 22 HB ILE 22 21.002 29.505 16.625 171 HG12 ILE 22 HG12 ILE 22 20.386 31.588 17.709 172 HG13 ILE 22 HG13 ILE 22 20.597 31.838 15.994 173 HG21 ILE 22 HG21 ILE 22 19.763 28.456 14.827 174 HG22 ILE 22 HG22 ILE 22 18.495 29.689 14.920 175 HG23 ILE 22 HG23 ILE 22 20.120 30.122 14.353 176 HD11 ILE 22 HD11 ILE 22 18.670 33.091 16.855 177 HD12 ILE 22 HD12 ILE 22 18.143 31.897 15.657 178 HD13 ILE 22 HD13 ILE 22 17.900 31.594 17.397 179 H GLY 23 H GLY 23 17.576 27.320 18.280 180 HA2 GLY 23 HA2 GLY 23 17.327 25.002 18.256 181 HA3 GLY 23 HA3 GLY 23 18.698 24.875 17.166 182 H GLU 24 H GLU 24 20.193 23.687 17.985 183 HA GLU 24 HA GLU 24 20.591 22.983 20.756 184 HB2 GLU 24 HB2 GLU 24 22.355 21.603 19.799 185 HB3 GLU 24 HB3 GLU 24 20.897 21.447 18.844 186 HG2 GLU 24 HG2 GLU 24 22.832 23.565 17.912 187 HG3 GLU 24 HG3 GLU 24 23.408 21.927 17.861 188 H GLU 25 H GLU 25 21.447 25.869 19.433 189 HA GLU 25 HA GLU 25 24.004 26.187 20.907 190 HB2 GLU 25 HB2 GLU 25 24.667 25.210 18.831 191 HB3 GLU 25 HB3 GLU 25 23.562 26.236 17.914 192 HG2 GLU 25 HG2 GLU 25 24.982 28.204 18.362 193 HG3 GLU 25 HG3 GLU 25 26.060 27.197 19.342 194 H CYS 26 H CYS 26 24.332 28.217 21.632 195 HA CYS 26 HA CYS 26 22.286 30.248 20.960 196 HB2 CYS 26 HB2 CYS 26 22.487 29.648 23.261 197 HB3 CYS 26 HB3 CYS 26 24.206 30.000 23.270 198 H LYS 27 H LYS 27 22.615 32.154 20.160 199 HA LYS 27 HA LYS 27 25.324 33.047 19.240 200 HB2 LYS 27 HB2 LYS 27 22.766 32.715 17.607 201 HB3 LYS 27 HB3 LYS 27 24.105 33.741 17.090 202 HG2 LYS 27 HG2 LYS 27 25.645 31.827 17.110 203 HG3 LYS 27 HG3 LYS 27 24.353 30.751 17.656 204 HD2 LYS 27 HD2 LYS 27 23.132 31.008 15.596 205 HD3 LYS 27 HD3 LYS 27 24.208 32.319 15.048 206 HE2 LYS 27 HE2 LYS 27 26.107 30.804 14.937 207 HE3 LYS 27 HE3 LYS 27 25.164 29.480 15.624 208 HZ1 LYS 27 HZ1 LYS 27 23.870 29.338 13.665 209 HZ2 LYS 27 HZ2 LYS 27 24.412 30.778 13.073 210 HZ3 LYS 27 HZ3 LYS 27 25.418 29.498 13.120 211 H CYS 28 H CYS 28 25.424 35.386 18.739 212 HA CYS 28 HA CYS 28 23.937 36.776 20.846 213 HB2 CYS 28 HB2 CYS 28 26.006 38.006 19.023 214 HB3 CYS 28 HB3 CYS 28 25.395 38.610 20.540 215 H VAL 29 H VAL 29 22.415 38.390 20.631 216 HA VAL 29 HA VAL 29 21.478 39.090 17.898 217 HB VAL 29 HB VAL 29 19.160 38.729 18.527 218 HG11 VAL 29 HG11 VAL 29 20.475 36.958 17.342 219 HG12 VAL 29 HG12 VAL 29 20.778 36.174 18.900 220 HG13 VAL 29 HG13 VAL 29 19.119 36.337 18.286 221 HG21 VAL 29 HG21 VAL 29 18.527 37.406 20.470 222 HG22 VAL 29 HG22 VAL 29 20.212 37.344 21.039 223 HG23 VAL 29 HG23 VAL 29 19.319 38.878 21.000 224 HA PRO 30 HA PRO 30 21.093 43.187 19.547 225 HB2 PRO 30 HB2 PRO 30 18.812 43.498 17.599 226 HB3 PRO 30 HB3 PRO 30 20.220 44.581 17.872 227 HG2 PRO 30 HG2 PRO 30 20.185 42.924 15.734 228 HG3 PRO 30 HG3 PRO 30 21.682 43.079 16.710 229 HD2 PRO 30 HD2 PRO 30 19.563 40.913 16.866 230 HD3 PRO 30 HD3 PRO 30 21.345 40.764 16.779 231 H ALA 31 H ALA 31 19.827 44.478 20.881 232 HA ALA 31 HA ALA 31 17.632 43.212 22.330 233 HB1 ALA 31 HB1 ALA 31 19.389 44.498 23.479 234 HB2 ALA 31 HB2 ALA 31 18.895 45.971 22.612 235 HB3 ALA 31 HB3 ALA 31 17.787 45.197 23.760 Start of MODEL 4 1 H1 ALA 1 H1 ALA 1 26.910 18.615 20.542 2 H2 ALA 1 H2 ALA 1 25.318 18.243 20.721 3 H3 ALA 1 H3 ALA 1 26.261 18.538 22.050 4 HA ALA 1 HA ALA 1 26.567 20.822 21.376 5 HB1 ALA 1 HB1 ALA 1 24.685 20.024 19.111 6 HB2 ALA 1 HB2 ALA 1 25.135 21.686 19.501 7 HB3 ALA 1 HB3 ALA 1 26.377 20.535 18.965 8 H PHE 2 H PHE 2 25.495 22.077 22.795 9 HA PHE 2 HA PHE 2 22.584 21.854 23.149 10 HB2 PHE 2 HB2 PHE 2 24.508 21.675 25.500 11 HB3 PHE 2 HB3 PHE 2 22.767 21.834 25.605 12 HD1 PHE 2 HD1 PHE 2 21.280 19.938 24.717 13 HD2 PHE 2 HD2 PHE 2 25.511 19.521 25.402 14 HE1 PHE 2 HE1 PHE 2 21.032 17.463 24.762 15 HE2 PHE 2 HE2 PHE 2 25.264 17.059 25.445 16 HZ PHE 2 HZ PHE 2 23.020 16.018 25.146 17 H CYS 3 H CYS 3 21.631 23.767 23.938 18 HA CYS 3 HA CYS 3 23.168 26.225 23.584 19 HB2 CYS 3 HB2 CYS 3 20.333 25.580 24.406 20 HB3 CYS 3 HB3 CYS 3 20.966 27.214 24.450 21 H ASN 4 H ASN 4 24.799 26.348 25.127 22 HA ASN 4 HA ASN 4 24.120 26.409 28.028 23 HB2 ASN 4 HB2 ASN 4 26.776 26.926 26.625 24 HB3 ASN 4 HB3 ASN 4 26.510 26.736 28.360 25 HD21 ASN 4 HD21 ASN 4 25.842 23.110 27.891 26 HD22 ASN 4 HD22 ASN 4 24.906 24.437 28.548 27 H LEU 5 H LEU 5 22.540 28.020 26.965 28 HA LEU 5 HA LEU 5 23.232 30.402 25.870 29 HB2 LEU 5 HB2 LEU 5 20.987 29.317 25.952 30 HB3 LEU 5 HB3 LEU 5 20.779 29.926 27.591 31 HG LEU 5 HG LEU 5 20.771 32.237 26.779 32 HD11 LEU 5 HD11 LEU 5 21.272 31.028 24.041 33 HD12 LEU 5 HD12 LEU 5 20.751 32.710 24.357 34 HD13 LEU 5 HD13 LEU 5 22.316 32.168 24.926 35 HD21 LEU 5 HD21 LEU 5 18.661 31.051 26.817 36 HD22 LEU 5 HD22 LEU 5 18.704 32.127 25.418 37 HD23 LEU 5 HD23 LEU 5 18.954 30.386 25.204 38 H ARG 6 H ARG 6 23.138 29.908 29.421 39 HA ARG 6 HA ARG 6 23.486 32.664 30.125 40 HB2 ARG 6 HB2 ARG 6 22.908 30.782 31.687 41 HB3 ARG 6 HB3 ARG 6 24.566 30.185 31.507 42 HG2 ARG 6 HG2 ARG 6 25.348 32.466 32.421 43 HG3 ARG 6 HG3 ARG 6 23.649 32.814 32.756 44 HD2 ARG 6 HD2 ARG 6 24.638 31.945 34.788 45 HD3 ARG 6 HD3 ARG 6 23.554 30.720 34.137 46 HE ARG 6 HE ARG 6 25.341 29.291 33.799 47 HH11 ARG 6 HH11 ARG 6 27.441 28.564 34.148 48 HH12 ARG 6 HH12 ARG 6 28.720 29.740 34.335 49 HH21 ARG 6 HH21 ARG 6 26.777 32.503 34.390 50 HH22 ARG 6 HH22 ARG 6 28.378 31.768 34.482 51 H ARG 7 H ARG 7 25.931 30.143 29.449 52 HA ARG 7 HA ARG 7 28.228 31.898 29.840 53 HB2 ARG 7 HB2 ARG 7 27.854 29.185 28.496 54 HB3 ARG 7 HB3 ARG 7 29.391 30.033 28.476 55 HG2 ARG 7 HG2 ARG 7 29.498 30.048 30.925 56 HG3 ARG 7 HG3 ARG 7 27.926 29.226 31.020 57 HD2 ARG 7 HD2 ARG 7 28.825 27.299 29.799 58 HD3 ARG 7 HD3 ARG 7 30.376 28.129 29.571 59 HE ARG 7 HE ARG 7 29.951 28.011 32.365 60 HH11 ARG 7 HH11 ARG 7 30.456 25.647 29.774 61 HH12 ARG 7 HH12 ARG 7 30.970 24.445 30.973 62 HH21 ARG 7 HH21 ARG 7 30.744 26.481 33.651 63 HH22 ARG 7 HH22 ARG 7 31.177 24.870 32.995 64 H CYS 8 H CYS 8 26.202 31.112 27.036 65 HA CYS 8 HA CYS 8 27.734 32.623 25.110 66 HB2 CYS 8 HB2 CYS 8 24.751 32.062 25.177 67 HB3 CYS 8 HB3 CYS 8 25.676 32.600 23.788 68 H GLU 9 H GLU 9 24.857 33.499 27.113 69 HA GLU 9 HA GLU 9 24.556 36.113 26.135 70 HB2 GLU 9 HB2 GLU 9 23.702 34.756 28.712 71 HB3 GLU 9 HB3 GLU 9 23.482 36.484 28.499 72 HG2 GLU 9 HG2 GLU 9 22.236 36.053 26.360 73 HG3 GLU 9 HG3 GLU 9 22.285 34.327 26.716 74 H LEU 10 H LEU 10 26.512 35.047 28.949 75 HA LEU 10 HA LEU 10 27.191 37.740 29.727 76 HB2 LEU 10 HB2 LEU 10 28.474 36.803 31.432 77 HB3 LEU 10 HB3 LEU 10 27.093 35.759 31.207 78 HG LEU 10 HG LEU 10 28.764 34.354 29.693 79 HD11 LEU 10 HD11 LEU 10 30.650 35.725 31.676 80 HD12 LEU 10 HD12 LEU 10 31.059 34.369 30.603 81 HD13 LEU 10 HD13 LEU 10 30.695 35.956 29.924 82 HD21 LEU 10 HD21 LEU 10 27.672 33.535 31.745 83 HD22 LEU 10 HD22 LEU 10 29.369 33.029 31.708 84 HD23 LEU 10 HD23 LEU 10 28.863 34.382 32.745 85 H SER 11 H SER 11 28.712 35.425 27.557 86 HA SER 11 HA SER 11 31.125 36.937 27.017 87 HB2 SER 11 HB2 SER 11 31.191 34.664 26.404 88 HB3 SER 11 HB3 SER 11 29.615 34.731 25.604 89 HG SER 11 HG SER 11 31.943 36.107 24.663 90 H CYS 12 H CYS 12 27.891 36.811 25.419 91 HA CYS 12 HA CYS 12 28.698 38.788 23.455 92 HB2 CYS 12 HB2 CYS 12 25.944 37.713 24.140 93 HB3 CYS 12 HB3 CYS 12 26.363 38.668 22.702 94 H ARG 13 H ARG 13 26.848 39.022 26.511 95 HA ARG 13 HA ARG 13 26.188 41.792 26.359 96 HB2 ARG 13 HB2 ARG 13 25.244 40.102 27.939 97 HB3 ARG 13 HB3 ARG 13 26.797 40.051 28.792 98 HG2 ARG 13 HG2 ARG 13 26.485 42.455 29.423 99 HG3 ARG 13 HG3 ARG 13 24.968 42.474 28.523 100 HD2 ARG 13 HD2 ARG 13 24.452 42.185 30.866 101 HD3 ARG 13 HD3 ARG 13 24.072 40.678 30.012 102 HE ARG 13 HE ARG 13 26.769 40.699 31.120 103 HH11 ARG 13 HH11 ARG 13 23.424 40.157 32.178 104 HH12 ARG 13 HH12 ARG 13 23.961 39.182 33.523 105 HH21 ARG 13 HH21 ARG 13 27.293 39.273 32.711 106 HH22 ARG 13 HH22 ARG 13 26.045 38.701 33.807 107 H SER 14 H SER 14 29.189 40.177 27.360 108 HA SER 14 HA SER 14 30.591 42.568 28.195 109 HB2 SER 14 HB2 SER 14 31.718 39.932 27.169 110 HB3 SER 14 HB3 SER 14 32.613 41.209 28.012 111 HG SER 14 HG SER 14 30.584 39.499 29.003 112 H LEU 15 H LEU 15 29.483 41.829 25.134 113 HA LEU 15 HA LEU 15 31.347 43.777 23.867 114 HB2 LEU 15 HB2 LEU 15 29.984 41.371 22.594 115 HB3 LEU 15 HB3 LEU 15 30.949 42.564 21.731 116 HG LEU 15 HG LEU 15 32.036 40.730 23.908 117 HD11 LEU 15 HD11 LEU 15 31.340 39.448 21.951 118 HD12 LEU 15 HD12 LEU 15 32.225 40.554 20.876 119 HD13 LEU 15 HD13 LEU 15 33.108 39.527 22.032 120 HD21 LEU 15 HD21 LEU 15 33.378 42.779 23.684 121 HD22 LEU 15 HD22 LEU 15 34.252 41.414 22.990 122 HD23 LEU 15 HD23 LEU 15 33.429 42.589 21.927 123 H GLY 16 H GLY 16 28.443 43.747 25.215 124 HA2 GLY 16 HA2 GLY 16 26.692 45.269 25.015 125 HA3 GLY 16 HA3 GLY 16 27.363 45.834 23.487 126 H LEU 17 H LEU 17 27.134 42.627 22.882 127 HA LEU 17 HA LEU 17 24.732 42.663 21.348 128 HB2 LEU 17 HB2 LEU 17 26.897 40.701 22.116 129 HB3 LEU 17 HB3 LEU 17 25.431 40.128 21.335 130 HG LEU 17 HG LEU 17 25.800 41.513 19.562 131 HD11 LEU 17 HD11 LEU 17 27.063 43.456 20.353 132 HD12 LEU 17 HD12 LEU 17 28.457 42.407 20.719 133 HD13 LEU 17 HD13 LEU 17 27.946 42.695 19.043 134 HD21 LEU 17 HD21 LEU 17 28.243 39.856 20.185 135 HD22 LEU 17 HD22 LEU 17 26.724 39.318 19.422 136 HD23 LEU 17 HD23 LEU 17 27.786 40.407 18.548 137 H LEU 18 H LEU 18 23.170 40.899 21.492 138 HA LEU 18 HA LEU 18 22.493 39.920 24.217 139 HB2 LEU 18 HB2 LEU 18 20.864 41.602 23.601 140 HB3 LEU 18 HB3 LEU 18 20.613 40.819 22.030 141 HG LEU 18 HG LEU 18 19.628 38.846 23.179 142 HD11 LEU 18 HD11 LEU 18 19.891 40.563 25.686 143 HD12 LEU 18 HD12 LEU 18 18.959 39.057 25.559 144 HD13 LEU 18 HD13 LEU 18 20.715 39.017 25.392 145 HD21 LEU 18 HD21 LEU 18 18.185 40.655 22.351 146 HD22 LEU 18 HD22 LEU 18 17.520 39.949 23.838 147 HD23 LEU 18 HD23 LEU 18 18.356 41.514 23.895 148 H GLY 19 H GLY 19 22.178 37.839 24.341 149 HA2 GLY 19 HA2 GLY 19 22.684 36.108 21.958 150 HA3 GLY 19 HA3 GLY 19 23.071 35.700 23.617 151 H LYS 20 H LYS 20 21.348 34.530 21.321 152 HA LYS 20 HA LYS 20 19.054 33.618 23.018 153 HB2 LYS 20 HB2 LYS 20 18.999 34.407 20.079 154 HB3 LYS 20 HB3 LYS 20 17.676 33.621 20.926 155 HG2 LYS 20 HG2 LYS 20 18.758 36.390 21.624 156 HG3 LYS 20 HG3 LYS 20 17.386 36.070 20.572 157 HD2 LYS 20 HD2 LYS 20 16.181 34.971 22.437 158 HD3 LYS 20 HD3 LYS 20 17.531 35.332 23.525 159 HE2 LYS 20 HE2 LYS 20 17.241 37.734 23.169 160 HE3 LYS 20 HE3 LYS 20 15.984 37.445 21.957 161 HZ1 LYS 20 HZ1 LYS 20 14.619 36.458 23.726 162 HZ2 LYS 20 HZ2 LYS 20 15.796 36.753 24.832 163 HZ3 LYS 20 HZ3 LYS 20 15.046 38.001 24.144 164 H CYS 21 H CYS 21 18.606 31.460 22.890 165 HA CYS 21 HA CYS 21 20.412 29.647 21.395 166 HB2 CYS 21 HB2 CYS 21 19.632 28.976 23.587 167 HB3 CYS 21 HB3 CYS 21 17.958 29.226 23.117 168 H ILE 22 H ILE 22 19.964 28.564 19.499 169 HA ILE 22 HA ILE 22 17.460 29.171 17.988 170 HB ILE 22 HB ILE 22 19.933 27.549 17.289 171 HG12 ILE 22 HG12 ILE 22 19.077 30.238 16.142 172 HG13 ILE 22 HG13 ILE 22 20.227 30.073 17.473 173 HG21 ILE 22 HG21 ILE 22 17.573 28.315 15.509 174 HG22 ILE 22 HG22 ILE 22 19.034 27.458 14.984 175 HG23 ILE 22 HG23 ILE 22 17.936 26.674 16.087 176 HD11 ILE 22 HD11 ILE 22 21.488 30.300 15.431 177 HD12 ILE 22 HD12 ILE 22 21.693 28.661 16.046 178 HD13 ILE 22 HD13 ILE 22 20.617 28.973 14.663 179 H GLY 23 H GLY 23 19.265 26.268 19.004 180 HA2 GLY 23 HA2 GLY 23 16.974 24.908 20.158 181 HA3 GLY 23 HA3 GLY 23 17.443 24.232 18.583 182 H GLU 24 H GLU 24 20.110 24.270 18.520 183 HA GLU 24 HA GLU 24 21.195 23.171 21.078 184 HB2 GLU 24 HB2 GLU 24 22.383 21.484 20.046 185 HB3 GLU 24 HB3 GLU 24 20.750 21.321 19.447 186 HG2 GLU 24 HG2 GLU 24 22.689 22.875 17.732 187 HG3 GLU 24 HG3 GLU 24 23.016 21.170 17.946 188 H GLU 25 H GLU 25 21.594 25.494 18.588 189 HA GLU 25 HA GLU 25 24.307 26.196 19.606 190 HB2 GLU 25 HB2 GLU 25 22.969 27.003 17.003 191 HB3 GLU 25 HB3 GLU 25 24.583 27.474 17.510 192 HG2 GLU 25 HG2 GLU 25 23.705 24.640 16.836 193 HG3 GLU 25 HG3 GLU 25 24.554 25.740 15.765 194 H CYS 26 H CYS 26 24.820 28.273 20.159 195 HA CYS 26 HA CYS 26 22.643 30.177 20.777 196 HB2 CYS 26 HB2 CYS 26 25.648 30.162 21.197 197 HB3 CYS 26 HB3 CYS 26 24.637 31.544 21.591 198 H LYS 27 H LYS 27 22.296 32.119 19.751 199 HA LYS 27 HA LYS 27 24.145 33.065 17.606 200 HB2 LYS 27 HB2 LYS 27 21.938 31.997 16.872 201 HB3 LYS 27 HB3 LYS 27 21.106 33.353 17.635 202 HG2 LYS 27 HG2 LYS 27 22.199 34.933 16.101 203 HG3 LYS 27 HG3 LYS 27 23.267 33.638 15.505 204 HD2 LYS 27 HD2 LYS 27 21.654 33.866 13.824 205 HD3 LYS 27 HD3 LYS 27 21.204 32.407 14.718 206 HE2 LYS 27 HE2 LYS 27 19.506 33.775 15.983 207 HE3 LYS 27 HE3 LYS 27 19.924 35.165 14.968 208 HZ1 LYS 27 HZ1 LYS 27 18.773 32.585 14.027 209 HZ2 LYS 27 HZ2 LYS 27 18.004 34.015 14.038 210 HZ3 LYS 27 HZ3 LYS 27 19.262 33.751 13.013 211 H CYS 28 H CYS 28 24.875 35.120 17.953 212 HA CYS 28 HA CYS 28 23.382 36.824 19.907 213 HB2 CYS 28 HB2 CYS 28 26.381 36.637 19.537 214 HB3 CYS 28 HB3 CYS 28 25.530 37.895 20.467 215 H VAL 29 H VAL 29 22.932 38.844 19.448 216 HA VAL 29 HA VAL 29 23.806 40.041 16.860 217 HB VAL 29 HB VAL 29 21.457 40.672 16.393 218 HG11 VAL 29 HG11 VAL 29 21.777 37.655 16.624 219 HG12 VAL 29 HG12 VAL 29 20.710 38.546 15.528 220 HG13 VAL 29 HG13 VAL 29 22.462 38.666 15.335 221 HG21 VAL 29 HG21 VAL 29 20.688 38.758 18.640 222 HG22 VAL 29 HG22 VAL 29 20.490 40.521 18.668 223 HG23 VAL 29 HG23 VAL 29 19.587 39.552 17.500 224 HA PRO 30 HA PRO 30 23.903 43.842 19.181 225 HB2 PRO 30 HB2 PRO 30 22.380 45.170 16.951 226 HB3 PRO 30 HB3 PRO 30 23.911 45.665 17.745 227 HG2 PRO 30 HG2 PRO 30 23.948 44.516 15.285 228 HG3 PRO 30 HG3 PRO 30 25.162 44.038 16.522 229 HD2 PRO 30 HD2 PRO 30 22.577 42.629 15.777 230 HD3 PRO 30 HD3 PRO 30 24.219 41.942 15.984 231 H ALA 31 H ALA 31 22.578 45.338 20.373 232 HA ALA 31 HA ALA 31 19.938 44.338 21.103 233 HB1 ALA 31 HB1 ALA 31 21.428 45.246 22.797 234 HB2 ALA 31 HB2 ALA 31 21.450 46.827 21.990 235 HB3 ALA 31 HB3 ALA 31 19.948 46.213 22.703 Start of MODEL 5 1 H1 ALA 1 H1 ALA 1 16.951 20.729 21.021 2 H2 ALA 1 H2 ALA 1 17.700 19.625 20.051 3 H3 ALA 1 H3 ALA 1 18.059 21.235 19.908 4 HA ALA 1 HA ALA 1 18.596 19.516 22.227 5 HB1 ALA 1 HB1 ALA 1 20.994 19.826 21.628 6 HB2 ALA 1 HB2 ALA 1 20.082 18.966 20.378 7 HB3 ALA 1 HB3 ALA 1 20.498 20.673 20.153 8 H PHE 2 H PHE 2 20.041 20.556 23.850 9 HA PHE 2 HA PHE 2 18.994 23.234 24.537 10 HB2 PHE 2 HB2 PHE 2 18.739 22.063 26.386 11 HB3 PHE 2 HB3 PHE 2 19.821 20.783 25.891 12 HD1 PHE 2 HD1 PHE 2 22.367 21.254 25.965 13 HD2 PHE 2 HD2 PHE 2 19.406 23.451 28.197 14 HE1 PHE 2 HE1 PHE 2 24.115 22.024 27.516 15 HE2 PHE 2 HE2 PHE 2 21.143 24.162 29.799 16 HZ PHE 2 HZ PHE 2 23.514 23.450 29.480 17 H CYS 3 H CYS 3 20.383 24.911 25.351 18 HA CYS 3 HA CYS 3 23.013 25.074 23.912 19 HB2 CYS 3 HB2 CYS 3 21.052 27.267 24.647 20 HB3 CYS 3 HB3 CYS 3 22.634 27.502 23.913 21 H ASN 4 H ASN 4 24.712 26.214 24.882 22 HA ASN 4 HA ASN 4 24.843 26.286 27.832 23 HB2 ASN 4 HB2 ASN 4 26.902 27.002 25.708 24 HB3 ASN 4 HB3 ASN 4 27.197 26.932 27.445 25 HD21 ASN 4 HD21 ASN 4 26.844 23.247 27.427 26 HD22 ASN 4 HD22 ASN 4 26.245 24.596 28.390 27 H LEU 5 H LEU 5 22.823 27.916 26.939 28 HA LEU 5 HA LEU 5 23.477 30.435 25.992 29 HB2 LEU 5 HB2 LEU 5 21.227 29.196 26.052 30 HB3 LEU 5 HB3 LEU 5 21.037 29.826 27.686 31 HG LEU 5 HG LEU 5 21.137 32.164 26.742 32 HD11 LEU 5 HD11 LEU 5 20.864 32.470 24.324 33 HD12 LEU 5 HD12 LEU 5 22.442 31.824 24.721 34 HD13 LEU 5 HD13 LEU 5 21.201 30.733 24.072 35 HD21 LEU 5 HD21 LEU 5 19.041 30.359 25.512 36 HD22 LEU 5 HD22 LEU 5 18.996 31.095 27.121 37 HD23 LEU 5 HD23 LEU 5 18.937 32.129 25.694 38 H ARG 6 H ARG 6 23.429 29.463 29.403 39 HA ARG 6 HA ARG 6 23.473 32.034 30.599 40 HB2 ARG 6 HB2 ARG 6 24.424 30.872 32.535 41 HB3 ARG 6 HB3 ARG 6 23.051 30.006 31.863 42 HG2 ARG 6 HG2 ARG 6 24.556 28.380 30.757 43 HG3 ARG 6 HG3 ARG 6 25.967 29.260 31.362 44 HD2 ARG 6 HD2 ARG 6 23.881 27.907 33.113 45 HD3 ARG 6 HD3 ARG 6 25.466 27.236 32.674 46 HE ARG 6 HE ARG 6 25.884 29.827 33.748 47 HH11 ARG 6 HH11 ARG 6 25.150 26.612 35.032 48 HH12 ARG 6 HH12 ARG 6 25.458 27.200 36.672 49 HH21 ARG 6 HH21 ARG 6 26.401 30.310 35.775 50 HH22 ARG 6 HH22 ARG 6 26.126 29.129 37.072 51 H ARG 7 H ARG 7 26.173 30.209 29.106 52 HA ARG 7 HA ARG 7 28.155 32.220 29.860 53 HB2 ARG 7 HB2 ARG 7 28.524 29.687 29.633 54 HB3 ARG 7 HB3 ARG 7 28.359 29.908 27.878 55 HG2 ARG 7 HG2 ARG 7 30.223 31.606 28.017 56 HG3 ARG 7 HG3 ARG 7 30.348 31.252 29.742 57 HD2 ARG 7 HD2 ARG 7 32.092 30.037 28.567 58 HD3 ARG 7 HD3 ARG 7 30.901 28.888 29.199 59 HE ARG 7 HE ARG 7 30.658 29.856 26.376 60 HH11 ARG 7 HH11 ARG 7 31.494 27.083 28.438 61 HH12 ARG 7 HH12 ARG 7 31.035 25.980 27.157 62 HH21 ARG 7 HH21 ARG 7 30.300 28.278 24.793 63 HH22 ARG 7 HH22 ARG 7 30.509 26.599 25.257 64 H CYS 8 H CYS 8 26.185 31.333 27.021 65 HA CYS 8 HA CYS 8 27.448 33.045 25.122 66 HB2 CYS 8 HB2 CYS 8 24.504 32.319 25.268 67 HB3 CYS 8 HB3 CYS 8 25.399 32.875 23.855 68 H GLU 9 H GLU 9 24.640 33.731 27.322 69 HA GLU 9 HA GLU 9 24.137 36.387 26.453 70 HB2 GLU 9 HB2 GLU 9 23.813 35.099 29.204 71 HB3 GLU 9 HB3 GLU 9 23.313 36.750 28.814 72 HG2 GLU 9 HG2 GLU 9 21.967 35.658 26.858 73 HG3 GLU 9 HG3 GLU 9 22.132 34.171 27.789 74 H LEU 10 H LEU 10 26.464 35.265 28.935 75 HA LEU 10 HA LEU 10 27.334 37.849 29.800 76 HB2 LEU 10 HB2 LEU 10 27.363 36.041 31.309 77 HB3 LEU 10 HB3 LEU 10 27.987 34.910 30.113 78 HG LEU 10 HG LEU 10 30.149 35.995 30.161 79 HD11 LEU 10 HD11 LEU 10 29.517 38.248 31.058 80 HD12 LEU 10 HD12 LEU 10 29.037 37.491 32.589 81 HD13 LEU 10 HD13 LEU 10 30.737 37.478 32.080 82 HD21 LEU 10 HD21 LEU 10 29.093 34.947 32.806 83 HD22 LEU 10 HD22 LEU 10 29.736 33.983 31.461 84 HD23 LEU 10 HD23 LEU 10 30.809 35.055 32.374 85 H SER 11 H SER 11 28.540 35.440 27.463 86 HA SER 11 HA SER 11 30.994 36.719 26.708 87 HB2 SER 11 HB2 SER 11 29.137 35.033 24.967 88 HB3 SER 11 HB3 SER 11 30.841 35.391 24.657 89 HG SER 11 HG SER 11 29.752 33.931 26.853 90 H CYS 12 H CYS 12 27.670 36.982 25.386 91 HA CYS 12 HA CYS 12 28.456 39.007 23.445 92 HB2 CYS 12 HB2 CYS 12 25.762 37.866 24.238 93 HB3 CYS 12 HB3 CYS 12 26.016 39.026 22.930 94 H ARG 13 H ARG 13 27.040 39.146 26.746 95 HA ARG 13 HA ARG 13 26.471 41.962 26.757 96 HB2 ARG 13 HB2 ARG 13 25.771 40.223 28.474 97 HB3 ARG 13 HB3 ARG 13 27.434 40.235 29.078 98 HG2 ARG 13 HG2 ARG 13 27.130 42.735 29.514 99 HG3 ARG 13 HG3 ARG 13 25.448 42.555 28.997 100 HD2 ARG 13 HD2 ARG 13 25.442 42.463 31.364 101 HD3 ARG 13 HD3 ARG 13 25.164 40.805 30.820 102 HE ARG 13 HE ARG 13 27.965 41.137 31.171 103 HH11 ARG 13 HH11 ARG 13 25.179 40.888 33.390 104 HH12 ARG 13 HH12 ARG 13 26.304 40.671 34.717 105 HH21 ARG 13 HH21 ARG 13 29.119 40.859 32.916 106 HH22 ARG 13 HH22 ARG 13 28.352 40.671 34.509 107 H SER 14 H SER 14 29.456 40.139 27.368 108 HA SER 14 HA SER 14 31.150 42.431 27.913 109 HB2 SER 14 HB2 SER 14 31.856 39.654 26.892 110 HB3 SER 14 HB3 SER 14 33.002 40.851 27.513 111 HG SER 14 HG SER 14 30.926 39.493 28.894 112 H LEU 15 H LEU 15 29.796 41.301 24.946 113 HA LEU 15 HA LEU 15 31.743 42.884 23.325 114 HB2 LEU 15 HB2 LEU 15 29.701 40.773 22.574 115 HB3 LEU 15 HB3 LEU 15 30.600 41.715 21.391 116 HG LEU 15 HG LEU 15 31.917 39.917 23.468 117 HD11 LEU 15 HD11 LEU 15 32.228 38.313 21.629 118 HD12 LEU 15 HD12 LEU 15 30.511 38.590 21.948 119 HD13 LEU 15 HD13 LEU 15 31.284 39.358 20.542 120 HD21 LEU 15 HD21 LEU 15 33.435 41.647 22.591 121 HD22 LEU 15 HD22 LEU 15 33.875 40.058 21.962 122 HD23 LEU 15 HD23 LEU 15 33.000 41.203 20.924 123 H GLY 16 H GLY 16 28.574 43.093 24.666 124 HA2 GLY 16 HA2 GLY 16 27.297 45.058 24.731 125 HA3 GLY 16 HA3 GLY 16 28.110 45.680 23.301 126 H LEU 17 H LEU 17 26.464 42.471 23.618 127 HA LEU 17 HA LEU 17 24.062 43.454 22.307 128 HB2 LEU 17 HB2 LEU 17 24.138 42.258 20.325 129 HB3 LEU 17 HB3 LEU 17 25.654 43.108 20.402 130 HG LEU 17 HG LEU 17 25.404 40.187 21.160 131 HD11 LEU 17 HD11 LEU 17 26.196 39.681 18.864 132 HD12 LEU 17 HD12 LEU 17 24.616 40.489 18.842 133 HD13 LEU 17 HD13 LEU 17 26.084 41.405 18.456 134 HD21 LEU 17 HD21 LEU 17 27.771 41.870 20.265 135 HD22 LEU 17 HD22 LEU 17 27.483 41.256 21.904 136 HD23 LEU 17 HD23 LEU 17 27.812 40.120 20.590 137 H LEU 18 H LEU 18 22.443 41.641 21.901 138 HA LEU 18 HA LEU 18 22.141 40.243 24.498 139 HB2 LEU 18 HB2 LEU 18 20.259 41.135 22.289 140 HB3 LEU 18 HB3 LEU 18 19.759 40.012 23.549 141 HG LEU 18 HG LEU 18 20.174 41.652 25.304 142 HD11 LEU 18 HD11 LEU 18 20.922 43.549 23.037 143 HD12 LEU 18 HD12 LEU 18 20.491 44.073 24.681 144 HD13 LEU 18 HD13 LEU 18 21.925 43.087 24.435 145 HD21 LEU 18 HD21 LEU 18 18.484 42.748 23.016 146 HD22 LEU 18 HD22 LEU 18 17.969 41.503 24.174 147 HD23 LEU 18 HD23 LEU 18 18.305 43.146 24.738 148 H GLY 19 H GLY 19 21.164 38.040 24.558 149 HA2 GLY 19 HA2 GLY 19 22.145 36.327 22.276 150 HA3 GLY 19 HA3 GLY 19 22.315 35.903 23.964 151 H LYS 20 H LYS 20 21.084 34.430 21.743 152 HA LYS 20 HA LYS 20 18.704 33.518 23.226 153 HB2 LYS 20 HB2 LYS 20 17.256 33.454 21.296 154 HB3 LYS 20 HB3 LYS 20 17.698 35.095 21.747 155 HG2 LYS 20 HG2 LYS 20 19.349 35.163 19.892 156 HG3 LYS 20 HG3 LYS 20 18.902 33.521 19.418 157 HD2 LYS 20 HD2 LYS 20 16.959 35.859 19.547 158 HD3 LYS 20 HD3 LYS 20 17.846 35.369 18.088 159 HE2 LYS 20 HE2 LYS 20 16.784 33.029 18.443 160 HE3 LYS 20 HE3 LYS 20 15.685 33.821 19.581 161 HZ1 LYS 20 HZ1 LYS 20 14.769 33.721 17.299 162 HZ2 LYS 20 HZ2 LYS 20 14.999 35.290 17.739 163 HZ3 LYS 20 HZ3 LYS 20 16.054 34.570 16.724 164 H CYS 21 H CYS 21 18.428 31.310 23.170 165 HA CYS 21 HA CYS 21 20.293 29.609 21.665 166 HB2 CYS 21 HB2 CYS 21 19.496 28.964 23.882 167 HB3 CYS 21 HB3 CYS 21 17.836 28.925 23.292 168 H ILE 22 H ILE 22 19.972 28.487 19.724 169 HA ILE 22 HA ILE 22 17.236 28.363 18.590 170 HB ILE 22 HB ILE 22 19.561 29.317 16.921 171 HG12 ILE 22 HG12 ILE 22 17.260 30.971 18.050 172 HG13 ILE 22 HG13 ILE 22 18.972 31.128 18.460 173 HG21 ILE 22 HG21 ILE 22 17.781 28.008 15.716 174 HG22 ILE 22 HG22 ILE 22 16.573 29.172 16.292 175 HG23 ILE 22 HG23 ILE 22 17.861 29.668 15.177 176 HD11 ILE 22 HD11 ILE 22 19.420 31.699 16.037 177 HD12 ILE 22 HD12 ILE 22 17.660 31.860 15.836 178 HD13 ILE 22 HD13 ILE 22 18.520 32.904 16.975 179 H GLY 23 H GLY 23 17.032 26.287 18.743 180 HA2 GLY 23 HA2 GLY 23 16.781 24.223 17.761 181 HA3 GLY 23 HA3 GLY 23 17.990 24.662 16.554 182 H GLU 24 H GLU 24 20.299 24.839 17.630 183 HA GLU 24 HA GLU 24 20.800 22.837 19.726 184 HB2 GLU 24 HB2 GLU 24 22.283 21.467 18.444 185 HB3 GLU 24 HB3 GLU 24 20.687 21.445 17.724 186 HG2 GLU 24 HG2 GLU 24 22.954 23.215 16.694 187 HG3 GLU 24 HG3 GLU 24 22.693 21.556 16.179 188 H GLU 25 H GLU 25 21.424 25.870 18.800 189 HA GLU 25 HA GLU 25 23.875 26.024 20.356 190 HB2 GLU 25 HB2 GLU 25 24.771 25.279 18.159 191 HB3 GLU 25 HB3 GLU 25 24.030 26.656 17.378 192 HG2 GLU 25 HG2 GLU 25 26.443 26.933 17.685 193 HG3 GLU 25 HG3 GLU 25 25.546 28.179 18.525 194 H CYS 26 H CYS 26 24.518 28.287 20.799 195 HA CYS 26 HA CYS 26 22.151 30.047 20.740 196 HB2 CYS 26 HB2 CYS 26 23.265 31.341 22.395 197 HB3 CYS 26 HB3 CYS 26 23.366 29.635 22.839 198 H LYS 27 H LYS 27 22.064 32.085 19.908 199 HA LYS 27 HA LYS 27 24.333 33.120 18.274 200 HB2 LYS 27 HB2 LYS 27 21.414 33.168 17.406 201 HB3 LYS 27 HB3 LYS 27 22.760 33.962 16.593 202 HG2 LYS 27 HG2 LYS 27 23.817 31.632 16.320 203 HG3 LYS 27 HG3 LYS 27 22.261 30.988 16.875 204 HD2 LYS 27 HD2 LYS 27 21.249 32.479 14.957 205 HD3 LYS 27 HD3 LYS 27 22.899 32.508 14.322 206 HE2 LYS 27 HE2 LYS 27 22.929 30.021 14.263 207 HE3 LYS 27 HE3 LYS 27 21.338 29.984 15.029 208 HZ1 LYS 27 HZ1 LYS 27 20.889 29.684 12.805 209 HZ2 LYS 27 HZ2 LYS 27 20.556 31.277 12.998 210 HZ3 LYS 27 HZ3 LYS 27 21.971 30.786 12.268 211 H CYS 28 H CYS 28 24.304 35.445 18.051 212 HA CYS 28 HA CYS 28 22.689 36.798 20.167 213 HB2 CYS 28 HB2 CYS 28 25.606 37.292 19.532 214 HB3 CYS 28 HB3 CYS 28 24.591 38.304 20.551 215 H VAL 29 H VAL 29 22.204 38.981 19.932 216 HA VAL 29 HA VAL 29 21.811 39.899 17.147 217 HB VAL 29 HB VAL 29 19.382 40.275 17.694 218 HG11 VAL 29 HG11 VAL 29 20.155 38.437 16.220 219 HG12 VAL 29 HG12 VAL 29 20.230 37.358 17.630 220 HG13 VAL 29 HG13 VAL 29 18.676 38.035 17.108 221 HG21 VAL 29 HG21 VAL 29 19.838 38.236 19.912 222 HG22 VAL 29 HG22 VAL 29 19.532 39.960 20.183 223 HG23 VAL 29 HG23 VAL 29 18.297 38.950 19.405 224 HA PRO 30 HA PRO 30 22.825 43.728 18.649 225 HB2 PRO 30 HB2 PRO 30 20.700 45.075 17.008 226 HB3 PRO 30 HB3 PRO 30 22.466 45.361 17.038 227 HG2 PRO 30 HG2 PRO 30 21.370 43.938 15.015 228 HG3 PRO 30 HG3 PRO 30 22.896 43.378 15.778 229 HD2 PRO 30 HD2 PRO 30 20.058 42.456 16.346 230 HD3 PRO 30 HD3 PRO 30 21.511 41.484 15.987 231 H ALA 31 H ALA 31 22.527 45.531 19.902 232 HA ALA 31 HA ALA 31 20.354 45.538 21.849 233 HB1 ALA 31 HB1 ALA 31 22.726 45.848 22.478 234 HB2 ALA 31 HB2 ALA 31 22.779 47.350 21.527 235 HB3 ALA 31 HB3 ALA 31 21.731 47.236 22.951 Start of MODEL 6 1 H1 ALA 1 H1 ALA 1 14.860 19.629 25.976 2 H2 ALA 1 H2 ALA 1 15.032 18.652 24.662 3 H3 ALA 1 H3 ALA 1 14.897 20.294 24.475 4 HA ALA 1 HA ALA 1 17.139 18.935 25.801 5 HB1 ALA 1 HB1 ALA 1 17.088 20.349 23.100 6 HB2 ALA 1 HB2 ALA 1 18.492 19.596 23.877 7 HB3 ALA 1 HB3 ALA 1 17.139 18.591 23.323 8 H PHE 2 H PHE 2 18.879 20.397 26.400 9 HA PHE 2 HA PHE 2 17.886 23.106 27.137 10 HB2 PHE 2 HB2 PHE 2 20.235 21.481 28.151 11 HB3 PHE 2 HB3 PHE 2 19.792 23.088 28.718 12 HD1 PHE 2 HD1 PHE 2 17.075 23.237 29.304 13 HD2 PHE 2 HD2 PHE 2 19.618 19.763 29.639 14 HE1 PHE 2 HE1 PHE 2 15.538 22.268 30.988 15 HE2 PHE 2 HE2 PHE 2 18.075 18.809 31.336 16 HZ PHE 2 HZ PHE 2 16.033 20.054 32.009 17 H CYS 3 H CYS 3 19.195 24.917 27.048 18 HA CYS 3 HA CYS 3 21.313 24.969 24.933 19 HB2 CYS 3 HB2 CYS 3 19.349 26.224 24.262 20 HB3 CYS 3 HB3 CYS 3 19.271 27.017 25.832 21 H ASN 4 H ASN 4 23.141 26.136 25.337 22 HA ASN 4 HA ASN 4 24.076 26.618 28.048 23 HB2 ASN 4 HB2 ASN 4 25.269 27.282 25.321 24 HB3 ASN 4 HB3 ASN 4 26.123 27.329 26.858 25 HD21 ASN 4 HD21 ASN 4 26.465 23.801 27.136 26 HD22 ASN 4 HD22 ASN 4 26.575 25.341 27.969 27 H LEU 5 H LEU 5 21.715 28.126 27.508 28 HA LEU 5 HA LEU 5 21.862 30.581 26.306 29 HB2 LEU 5 HB2 LEU 5 19.890 29.306 27.174 30 HB3 LEU 5 HB3 LEU 5 20.206 29.916 28.786 31 HG LEU 5 HG LEU 5 19.759 31.794 26.438 32 HD11 LEU 5 HD11 LEU 5 17.858 30.204 26.522 33 HD12 LEU 5 HD12 LEU 5 17.631 30.569 28.242 34 HD13 LEU 5 HD13 LEU 5 17.371 31.824 27.005 35 HD21 LEU 5 HD21 LEU 5 18.792 33.250 28.251 36 HD22 LEU 5 HD22 LEU 5 19.310 32.044 29.449 37 HD23 LEU 5 HD23 LEU 5 20.508 32.934 28.480 38 H ARG 6 H ARG 6 22.617 30.036 29.781 39 HA ARG 6 HA ARG 6 23.155 32.838 30.254 40 HB2 ARG 6 HB2 ARG 6 23.709 30.269 31.805 41 HB3 ARG 6 HB3 ARG 6 24.320 31.808 32.382 42 HG2 ARG 6 HG2 ARG 6 21.413 31.014 32.011 43 HG3 ARG 6 HG3 ARG 6 22.261 31.401 33.508 44 HD2 ARG 6 HD2 ARG 6 21.233 33.240 31.354 45 HD3 ARG 6 HD3 ARG 6 20.954 33.307 33.098 46 HE ARG 6 HE ARG 6 23.738 33.675 32.666 47 HH11 ARG 6 HH11 ARG 6 20.871 35.491 31.665 48 HH12 ARG 6 HH12 ARG 6 21.806 36.983 31.650 49 HH21 ARG 6 HH21 ARG 6 24.698 35.621 32.751 50 HH22 ARG 6 HH22 ARG 6 23.796 37.077 32.296 51 H ARG 7 H ARG 7 25.343 30.221 29.383 52 HA ARG 7 HA ARG 7 27.768 31.765 29.407 53 HB2 ARG 7 HB2 ARG 7 27.566 29.252 29.338 54 HB3 ARG 7 HB3 ARG 7 26.966 29.373 27.677 55 HG2 ARG 7 HG2 ARG 7 29.125 30.583 27.107 56 HG3 ARG 7 HG3 ARG 7 29.660 30.190 28.752 57 HD2 ARG 7 HD2 ARG 7 30.602 28.521 27.323 58 HD3 ARG 7 HD3 ARG 7 29.274 27.744 28.183 59 HE ARG 7 HE ARG 7 28.618 28.858 25.503 60 HH11 ARG 7 HH11 ARG 7 29.518 25.857 27.234 61 HH12 ARG 7 HH12 ARG 7 29.166 24.936 25.792 62 HH21 ARG 7 HH21 ARG 7 28.074 27.400 23.831 63 HH22 ARG 7 HH22 ARG 7 28.408 25.696 24.109 64 H CYS 8 H CYS 8 25.300 31.119 26.888 65 HA CYS 8 HA CYS 8 26.613 32.593 24.822 66 HB2 CYS 8 HB2 CYS 8 23.664 31.938 25.169 67 HB3 CYS 8 HB3 CYS 8 24.445 32.496 23.685 68 H GLU 9 H GLU 9 24.094 33.687 27.192 69 HA GLU 9 HA GLU 9 24.040 36.409 26.211 70 HB2 GLU 9 HB2 GLU 9 23.314 35.187 28.902 71 HB3 GLU 9 HB3 GLU 9 23.278 36.925 28.595 72 HG2 GLU 9 HG2 GLU 9 21.777 36.421 26.577 73 HG3 GLU 9 HG3 GLU 9 21.610 34.787 27.209 74 H LEU 10 H LEU 10 26.313 34.809 28.456 75 HA LEU 10 HA LEU 10 27.644 37.213 29.329 76 HB2 LEU 10 HB2 LEU 10 27.700 35.382 30.796 77 HB3 LEU 10 HB3 LEU 10 27.926 34.217 29.498 78 HG LEU 10 HG LEU 10 30.194 34.998 29.151 79 HD11 LEU 10 HD11 LEU 10 29.779 36.470 31.801 80 HD12 LEU 10 HD12 LEU 10 31.335 36.278 30.971 81 HD13 LEU 10 HD13 LEU 10 30.055 37.260 30.237 82 HD21 LEU 10 HD21 LEU 10 29.581 33.938 31.925 83 HD22 LEU 10 HD22 LEU 10 29.754 32.984 30.436 84 HD23 LEU 10 HD23 LEU 10 31.150 33.838 31.110 85 H SER 11 H SER 11 28.171 34.814 26.691 86 HA SER 11 HA SER 11 30.593 36.006 25.707 87 HB2 SER 11 HB2 SER 11 29.766 33.734 25.086 88 HB3 SER 11 HB3 SER 11 28.493 34.497 24.111 89 HG SER 11 HG SER 11 31.326 34.647 23.814 90 H CYS 12 H CYS 12 27.144 36.607 24.831 91 HA CYS 12 HA CYS 12 27.807 38.619 22.866 92 HB2 CYS 12 HB2 CYS 12 25.178 38.206 24.314 93 HB3 CYS 12 HB3 CYS 12 25.430 39.065 22.783 94 H ARG 13 H ARG 13 27.304 38.803 26.387 95 HA ARG 13 HA ARG 13 27.186 41.638 26.656 96 HB2 ARG 13 HB2 ARG 13 26.779 39.859 28.424 97 HB3 ARG 13 HB3 ARG 13 28.530 39.653 28.538 98 HG2 ARG 13 HG2 ARG 13 28.721 42.065 29.228 99 HG3 ARG 13 HG3 ARG 13 26.960 42.210 29.092 100 HD2 ARG 13 HD2 ARG 13 27.464 41.901 31.397 101 HD3 ARG 13 HD3 ARG 13 26.752 40.387 30.834 102 HE ARG 13 HE ARG 13 29.579 40.142 30.560 103 HH11 ARG 13 HH11 ARG 13 27.276 40.447 33.203 104 HH12 ARG 13 HH12 ARG 13 28.317 39.623 34.329 105 HH21 ARG 13 HH21 ARG 13 30.932 39.364 32.066 106 HH22 ARG 13 HH22 ARG 13 30.422 39.117 33.723 107 H SER 14 H SER 14 29.916 39.577 25.766 108 HA SER 14 HA SER 14 32.022 41.403 26.489 109 HB2 SER 14 HB2 SER 14 33.476 40.153 25.169 110 HB3 SER 14 HB3 SER 14 32.358 39.001 25.907 111 HG SER 14 HG SER 14 31.328 38.752 23.973 112 H LEU 15 H LEU 15 30.070 41.183 23.511 113 HA LEU 15 HA LEU 15 31.336 43.658 22.452 114 HB2 LEU 15 HB2 LEU 15 29.465 41.697 21.102 115 HB3 LEU 15 HB3 LEU 15 30.254 43.077 20.339 116 HG LEU 15 HG LEU 15 31.628 40.597 21.455 117 HD11 LEU 15 HD11 LEU 15 30.385 40.233 19.352 118 HD12 LEU 15 HD12 LEU 15 31.253 41.590 18.601 119 HD13 LEU 15 HD13 LEU 15 32.135 40.127 19.098 120 HD21 LEU 15 HD21 LEU 15 33.142 42.520 21.694 121 HD22 LEU 15 HD22 LEU 15 33.681 41.486 20.369 122 HD23 LEU 15 HD23 LEU 15 32.824 43.004 20.013 123 H GLY 16 H GLY 16 29.168 43.300 24.658 124 HA2 GLY 16 HA2 GLY 16 27.860 44.946 25.579 125 HA3 GLY 16 HA3 GLY 16 28.049 45.900 24.115 126 H LEU 17 H LEU 17 26.610 42.672 23.870 127 HA LEU 17 HA LEU 17 23.893 43.860 23.692 128 HB2 LEU 17 HB2 LEU 17 23.457 42.968 21.571 129 HB3 LEU 17 HB3 LEU 17 24.882 43.960 21.468 130 HG LEU 17 HG LEU 17 25.127 40.938 21.716 131 HD11 LEU 17 HD11 LEU 17 25.275 40.941 19.180 132 HD12 LEU 17 HD12 LEU 17 23.661 41.214 19.837 133 HD13 LEU 17 HD13 LEU 17 24.602 42.578 19.216 134 HD21 LEU 17 HD21 LEU 17 26.862 43.061 20.376 135 HD22 LEU 17 HD22 LEU 17 27.216 42.242 21.907 136 HD23 LEU 17 HD23 LEU 17 27.194 41.314 20.410 137 H LEU 18 H LEU 18 22.408 41.742 22.834 138 HA LEU 18 HA LEU 18 22.373 40.108 25.308 139 HB2 LEU 18 HB2 LEU 18 20.519 41.638 24.873 140 HB3 LEU 18 HB3 LEU 18 20.221 40.861 23.326 141 HG LEU 18 HG LEU 18 19.552 38.772 24.484 142 HD11 LEU 18 HD11 LEU 18 19.947 40.391 27.040 143 HD12 LEU 18 HD12 LEU 18 19.185 38.793 26.933 144 HD13 LEU 18 HD13 LEU 18 20.901 38.974 26.574 145 HD21 LEU 18 HD21 LEU 18 17.474 39.693 25.513 146 HD22 LEU 18 HD22 LEU 18 18.183 41.320 25.426 147 HD23 LEU 18 HD23 LEU 18 17.849 40.409 23.939 148 H GLY 19 H GLY 19 21.667 37.832 25.150 149 HA2 GLY 19 HA2 GLY 19 22.753 36.474 22.709 150 HA3 GLY 19 HA3 GLY 19 22.834 35.819 24.330 151 H LYS 20 H LYS 20 21.769 34.695 21.858 152 HA LYS 20 HA LYS 20 19.104 33.785 22.824 153 HB2 LYS 20 HB2 LYS 20 19.858 34.744 20.024 154 HB3 LYS 20 HB3 LYS 20 18.489 33.683 20.313 155 HG2 LYS 20 HG2 LYS 20 18.791 36.477 21.477 156 HG3 LYS 20 HG3 LYS 20 17.804 36.007 20.086 157 HD2 LYS 20 HD2 LYS 20 16.562 34.399 21.627 158 HD3 LYS 20 HD3 LYS 20 17.402 35.187 22.987 159 HE2 LYS 20 HE2 LYS 20 16.493 37.376 22.254 160 HE3 LYS 20 HE3 LYS 20 15.664 36.565 20.911 161 HZ1 LYS 20 HZ1 LYS 20 14.482 35.218 22.628 162 HZ2 LYS 20 HZ2 LYS 20 15.112 36.176 23.800 163 HZ3 LYS 20 HZ3 LYS 20 14.104 36.808 22.664 164 H CYS 21 H CYS 21 18.556 31.716 22.336 165 HA CYS 21 HA CYS 21 20.743 29.858 21.608 166 HB2 CYS 21 HB2 CYS 21 17.906 29.474 22.574 167 HB3 CYS 21 HB3 CYS 21 19.086 28.178 22.329 168 H ILE 22 H ILE 22 20.715 28.468 19.880 169 HA ILE 22 HA ILE 22 18.329 28.218 18.167 170 HB ILE 22 HB ILE 22 21.056 28.742 16.983 171 HG12 ILE 22 HG12 ILE 22 20.076 30.896 17.822 172 HG13 ILE 22 HG13 ILE 22 20.367 30.827 16.098 173 HG21 ILE 22 HG21 ILE 22 18.329 28.174 15.740 174 HG22 ILE 22 HG22 ILE 22 19.678 28.864 14.821 175 HG23 ILE 22 HG23 ILE 22 19.834 27.261 15.537 176 HD11 ILE 22 HD11 ILE 22 18.033 30.646 15.574 177 HD12 ILE 22 HD12 ILE 22 17.596 30.369 17.266 178 HD13 ILE 22 HD13 ILE 22 18.215 31.952 16.752 179 H GLY 23 H GLY 23 18.352 26.395 19.549 180 HA2 GLY 23 HA2 GLY 23 18.380 24.070 19.717 181 HA3 GLY 23 HA3 GLY 23 19.287 24.032 18.201 182 H GLU 24 H GLU 24 21.202 23.019 18.398 183 HA GLU 24 HA GLU 24 22.630 22.781 20.954 184 HB2 GLU 24 HB2 GLU 24 23.606 22.069 18.163 185 HB3 GLU 24 HB3 GLU 24 24.260 21.515 19.700 186 HG2 GLU 24 HG2 GLU 24 21.656 20.722 18.384 187 HG3 GLU 24 HG3 GLU 24 23.040 19.713 18.784 188 H GLU 25 H GLU 25 22.402 25.340 18.810 189 HA GLU 25 HA GLU 25 25.142 26.371 19.433 190 HB2 GLU 25 HB2 GLU 25 23.435 26.871 16.965 191 HB3 GLU 25 HB3 GLU 25 25.008 27.592 17.267 192 HG2 GLU 25 HG2 GLU 25 24.571 24.593 16.908 193 HG3 GLU 25 HG3 GLU 25 24.958 25.707 15.613 194 H CYS 26 H CYS 26 25.132 28.874 19.036 195 HA CYS 26 HA CYS 26 22.673 30.169 20.098 196 HB2 CYS 26 HB2 CYS 26 25.479 30.276 21.222 197 HB3 CYS 26 HB3 CYS 26 24.343 31.597 21.457 198 H LYS 27 H LYS 27 22.642 32.418 19.876 199 HA LYS 27 HA LYS 27 24.475 33.773 17.948 200 HB2 LYS 27 HB2 LYS 27 21.426 33.671 17.744 201 HB3 LYS 27 HB3 LYS 27 22.412 34.889 16.943 202 HG2 LYS 27 HG2 LYS 27 23.673 33.050 15.770 203 HG3 LYS 27 HG3 LYS 27 22.525 31.894 16.462 204 HD2 LYS 27 HD2 LYS 27 21.713 32.322 14.288 205 HD3 LYS 27 HD3 LYS 27 20.670 33.284 15.349 206 HE2 LYS 27 HE2 LYS 27 22.196 35.268 14.881 207 HE3 LYS 27 HE3 LYS 27 23.060 34.267 13.707 208 HZ1 LYS 27 HZ1 LYS 27 20.172 34.937 13.566 209 HZ2 LYS 27 HZ2 LYS 27 21.348 35.710 12.746 210 HZ3 LYS 27 HZ3 LYS 27 21.007 34.131 12.409 211 H CYS 28 H CYS 28 23.863 36.219 17.944 212 HA CYS 28 HA CYS 28 22.984 37.086 20.667 213 HB2 CYS 28 HB2 CYS 28 24.991 38.605 18.999 214 HB3 CYS 28 HB3 CYS 28 24.447 38.958 20.616 215 H VAL 29 H VAL 29 22.002 39.277 20.673 216 HA VAL 29 HA VAL 29 20.828 40.199 18.129 217 HB VAL 29 HB VAL 29 18.588 40.459 19.110 218 HG11 VAL 29 HG11 VAL 29 19.466 37.551 19.044 219 HG12 VAL 29 HG12 VAL 29 17.823 38.186 18.809 220 HG13 VAL 29 HG13 VAL 29 19.084 38.556 17.631 221 HG21 VAL 29 HG21 VAL 29 19.603 38.710 21.386 222 HG22 VAL 29 HG22 VAL 29 19.019 40.385 21.488 223 HG23 VAL 29 HG23 VAL 29 17.898 39.101 21.061 224 HA PRO 30 HA PRO 30 21.836 44.157 19.859 225 HB2 PRO 30 HB2 PRO 30 19.201 45.132 18.747 226 HB3 PRO 30 HB3 PRO 30 20.832 45.860 18.589 227 HG2 PRO 30 HG2 PRO 30 19.761 44.461 16.531 228 HG3 PRO 30 HG3 PRO 30 21.483 44.214 16.974 229 HD2 PRO 30 HD2 PRO 30 19.088 42.508 17.719 230 HD3 PRO 30 HD3 PRO 30 20.691 42.006 17.099 231 H ALA 31 H ALA 31 21.503 45.238 21.798 232 HA ALA 31 HA ALA 31 19.464 44.100 23.572 233 HB1 ALA 31 HB1 ALA 31 21.754 44.293 24.333 234 HB2 ALA 31 HB2 ALA 31 21.730 46.060 24.104 235 HB3 ALA 31 HB3 ALA 31 20.690 45.290 25.326 Start of MODEL 7 1 H1 ALA 1 H1 ALA 1 18.788 18.653 24.827 2 H2 ALA 1 H2 ALA 1 17.595 18.243 25.861 3 H3 ALA 1 H3 ALA 1 19.014 17.411 25.883 4 HA ALA 1 HA ALA 1 18.757 18.959 27.742 5 HB1 ALA 1 HB1 ALA 1 21.021 19.891 25.950 6 HB2 ALA 1 HB2 ALA 1 20.960 19.860 27.720 7 HB3 ALA 1 HB3 ALA 1 21.060 18.337 26.814 8 H PHE 2 H PHE 2 18.261 20.979 28.458 9 HA PHE 2 HA PHE 2 17.112 22.897 26.578 10 HB2 PHE 2 HB2 PHE 2 17.424 22.901 29.596 11 HB3 PHE 2 HB3 PHE 2 16.484 24.067 28.690 12 HD1 PHE 2 HD1 PHE 2 15.946 21.507 30.795 13 HD2 PHE 2 HD2 PHE 2 14.976 22.521 26.711 14 HE1 PHE 2 HE1 PHE 2 14.007 19.957 30.862 15 HE2 PHE 2 HE2 PHE 2 13.060 20.954 26.777 16 HZ PHE 2 HZ PHE 2 12.584 19.660 28.843 17 H CYS 3 H CYS 3 17.515 25.222 26.780 18 HA CYS 3 HA CYS 3 20.166 25.731 25.866 19 HB2 CYS 3 HB2 CYS 3 18.254 26.877 24.957 20 HB3 CYS 3 HB3 CYS 3 17.817 27.524 26.535 21 H ASN 4 H ASN 4 21.966 26.389 26.833 22 HA ASN 4 HA ASN 4 22.047 27.336 29.625 23 HB2 ASN 4 HB2 ASN 4 24.206 26.676 27.567 24 HB3 ASN 4 HB3 ASN 4 24.544 27.373 29.151 25 HD21 ASN 4 HD21 ASN 4 23.417 24.435 30.961 26 HD22 ASN 4 HD22 ASN 4 23.321 26.194 31.016 27 H LEU 5 H LEU 5 20.489 28.933 28.472 28 HA LEU 5 HA LEU 5 21.173 31.164 27.000 29 HB2 LEU 5 HB2 LEU 5 18.943 30.507 27.739 30 HB3 LEU 5 HB3 LEU 5 19.286 30.961 29.402 31 HG LEU 5 HG LEU 5 19.479 33.006 27.180 32 HD11 LEU 5 HD11 LEU 5 17.301 31.878 26.913 33 HD12 LEU 5 HD12 LEU 5 16.931 32.191 28.624 34 HD13 LEU 5 HD13 LEU 5 17.111 33.542 27.481 35 HD21 LEU 5 HD21 LEU 5 20.195 33.798 29.425 36 HD22 LEU 5 HD22 LEU 5 18.639 34.520 29.038 37 HD23 LEU 5 HD23 LEU 5 18.706 33.143 30.145 38 H ARG 6 H ARG 6 21.775 30.778 30.504 39 HA ARG 6 HA ARG 6 22.753 33.401 31.037 40 HB2 ARG 6 HB2 ARG 6 23.190 30.648 32.261 41 HB3 ARG 6 HB3 ARG 6 24.050 32.032 32.909 42 HG2 ARG 6 HG2 ARG 6 21.048 32.224 32.608 43 HG3 ARG 6 HG3 ARG 6 21.741 31.277 33.926 44 HD2 ARG 6 HD2 ARG 6 21.233 33.640 34.590 45 HD3 ARG 6 HD3 ARG 6 22.899 33.147 34.843 46 HE ARG 6 HE ARG 6 23.635 34.481 33.037 47 HH11 ARG 6 HH11 ARG 6 20.108 34.840 33.253 48 HH12 ARG 6 HH12 ARG 6 20.154 36.317 32.330 49 HH21 ARG 6 HH21 ARG 6 23.586 36.375 32.038 50 HH22 ARG 6 HH22 ARG 6 22.053 37.099 31.537 51 H ARG 7 H ARG 7 24.452 30.615 29.866 52 HA ARG 7 HA ARG 7 27.104 31.858 29.664 53 HB2 ARG 7 HB2 ARG 7 26.012 29.342 28.333 54 HB3 ARG 7 HB3 ARG 7 27.684 29.857 28.298 55 HG2 ARG 7 HG2 ARG 7 26.155 29.158 30.848 56 HG3 ARG 7 HG3 ARG 7 27.172 28.038 29.959 57 HD2 ARG 7 HD2 ARG 7 28.165 30.635 31.207 58 HD3 ARG 7 HD3 ARG 7 28.278 29.033 31.944 59 HE ARG 7 HE ARG 7 29.471 28.967 29.330 60 HH11 ARG 7 HH11 ARG 7 30.258 30.065 32.611 61 HH12 ARG 7 HH12 ARG 7 31.964 29.738 32.301 62 HH21 ARG 7 HH21 ARG 7 31.595 28.684 29.121 63 HH22 ARG 7 HH22 ARG 7 32.678 29.004 30.492 64 H CYS 8 H CYS 8 24.356 31.387 27.405 65 HA CYS 8 HA CYS 8 25.723 32.566 25.153 66 HB2 CYS 8 HB2 CYS 8 22.749 32.431 25.764 67 HB3 CYS 8 HB3 CYS 8 23.440 33.013 24.267 68 H GLU 9 H GLU 9 23.628 34.139 27.671 69 HA GLU 9 HA GLU 9 23.862 36.767 26.544 70 HB2 GLU 9 HB2 GLU 9 23.352 35.786 29.376 71 HB3 GLU 9 HB3 GLU 9 23.517 37.503 28.969 72 HG2 GLU 9 HG2 GLU 9 21.714 37.157 27.204 73 HG3 GLU 9 HG3 GLU 9 21.409 35.581 27.943 74 H LEU 10 H LEU 10 26.066 35.006 28.721 75 HA LEU 10 HA LEU 10 27.835 37.191 29.302 76 HB2 LEU 10 HB2 LEU 10 27.697 35.407 30.838 77 HB3 LEU 10 HB3 LEU 10 27.671 34.183 29.572 78 HG LEU 10 HG LEU 10 29.994 34.586 29.085 79 HD11 LEU 10 HD11 LEU 10 29.945 36.319 31.595 80 HD12 LEU 10 HD12 LEU 10 31.413 35.780 30.769 81 HD13 LEU 10 HD13 LEU 10 30.296 36.895 29.957 82 HD21 LEU 10 HD21 LEU 10 29.369 33.870 31.977 83 HD22 LEU 10 HD22 LEU 10 29.339 32.765 30.582 84 HD23 LEU 10 HD23 LEU 10 30.874 33.454 31.131 85 H SER 11 H SER 11 27.785 34.537 26.887 86 HA SER 11 HA SER 11 30.191 35.182 25.513 87 HB2 SER 11 HB2 SER 11 28.774 33.099 25.315 88 HB3 SER 11 HB3 SER 11 27.622 34.020 24.337 89 HG SER 11 HG SER 11 29.217 34.280 22.759 90 H CYS 12 H CYS 12 26.831 36.341 24.884 91 HA CYS 12 HA CYS 12 27.709 38.060 22.708 92 HB2 CYS 12 HB2 CYS 12 25.088 37.941 24.214 93 HB3 CYS 12 HB3 CYS 12 25.379 38.871 22.732 94 H ARG 13 H ARG 13 27.480 38.559 26.205 95 HA ARG 13 HA ARG 13 27.696 41.405 26.232 96 HB2 ARG 13 HB2 ARG 13 27.432 39.593 28.161 97 HB3 ARG 13 HB3 ARG 13 29.194 39.680 28.225 98 HG2 ARG 13 HG2 ARG 13 29.014 42.148 28.578 99 HG3 ARG 13 HG3 ARG 13 27.259 42.031 28.491 100 HD2 ARG 13 HD2 ARG 13 29.054 40.716 30.567 101 HD3 ARG 13 HD3 ARG 13 28.049 42.135 30.827 102 HE ARG 13 HE ARG 13 26.044 40.686 30.372 103 HH11 ARG 13 HH11 ARG 13 28.965 39.076 31.624 104 HH12 ARG 13 HH12 ARG 13 27.987 37.827 32.345 105 HH21 ARG 13 HH21 ARG 13 24.981 38.974 31.213 106 HH22 ARG 13 HH22 ARG 13 25.870 37.671 31.983 107 H SER 14 H SER 14 30.023 38.992 25.304 108 HA SER 14 HA SER 14 32.335 40.807 25.339 109 HB2 SER 14 HB2 SER 14 33.561 39.104 24.353 110 HB3 SER 14 HB3 SER 14 32.421 38.236 25.396 111 HG SER 14 HG SER 14 31.212 37.688 23.603 112 H LEU 15 H LEU 15 29.746 40.123 23.045 113 HA LEU 15 HA LEU 15 30.984 41.641 20.839 114 HB2 LEU 15 HB2 LEU 15 28.437 40.027 21.165 115 HB3 LEU 15 HB3 LEU 15 28.792 40.947 19.695 116 HG LEU 15 HG LEU 15 30.642 38.787 20.759 117 HD11 LEU 15 HD11 LEU 15 28.471 37.791 20.334 118 HD12 LEU 15 HD12 LEU 15 28.391 38.575 18.737 119 HD13 LEU 15 HD13 LEU 15 29.608 37.320 19.052 120 HD21 LEU 15 HD21 LEU 15 31.664 40.354 19.135 121 HD22 LEU 15 HD22 LEU 15 31.438 38.755 18.411 122 HD23 LEU 15 HD23 LEU 15 30.317 40.069 18.011 123 H GLY 16 H GLY 16 28.850 42.217 23.464 124 HA2 GLY 16 HA2 GLY 16 28.523 44.490 24.153 125 HA3 GLY 16 HA3 GLY 16 28.366 45.002 22.480 126 H LEU 17 H LEU 17 26.544 42.114 23.456 127 HA LEU 17 HA LEU 17 24.080 43.605 23.981 128 HB2 LEU 17 HB2 LEU 17 22.928 42.972 22.006 129 HB3 LEU 17 HB3 LEU 17 24.374 43.824 21.521 130 HG LEU 17 HG LEU 17 23.889 40.846 21.461 131 HD11 LEU 17 HD11 LEU 17 23.752 41.131 19.000 132 HD12 LEU 17 HD12 LEU 17 22.546 42.131 19.813 133 HD13 LEU 17 HD13 LEU 17 24.029 42.873 19.188 134 HD21 LEU 17 HD21 LEU 17 26.255 42.450 20.441 135 HD22 LEU 17 HD22 LEU 17 26.267 41.098 21.604 136 HD23 LEU 17 HD23 LEU 17 25.909 40.790 19.909 137 H LEU 18 H LEU 18 22.135 41.780 23.590 138 HA LEU 18 HA LEU 18 22.646 39.855 25.762 139 HB2 LEU 18 HB2 LEU 18 20.187 40.758 24.223 140 HB3 LEU 18 HB3 LEU 18 20.132 39.404 25.332 141 HG LEU 18 HG LEU 18 19.239 41.415 26.318 142 HD11 LEU 18 HD11 LEU 18 20.416 41.382 28.430 143 HD12 LEU 18 HD12 LEU 18 20.296 39.745 27.779 144 HD13 LEU 18 HD13 LEU 18 21.842 40.631 27.697 145 HD21 LEU 18 HD21 LEU 18 20.696 43.088 25.157 146 HD22 LEU 18 HD22 LEU 18 20.487 43.357 26.895 147 HD23 LEU 18 HD23 LEU 18 22.005 42.670 26.292 148 H GLY 19 H GLY 19 21.650 37.567 25.468 149 HA2 GLY 19 HA2 GLY 19 22.282 36.429 22.788 150 HA3 GLY 19 HA3 GLY 19 23.216 35.894 24.178 151 H LYS 20 H LYS 20 21.431 34.493 22.287 152 HA LYS 20 HA LYS 20 19.735 32.938 24.171 153 HB2 LYS 20 HB2 LYS 20 18.698 34.374 21.678 154 HB3 LYS 20 HB3 LYS 20 17.831 33.076 22.497 155 HG2 LYS 20 HG2 LYS 20 17.842 34.421 24.610 156 HG3 LYS 20 HG3 LYS 20 18.604 35.757 23.723 157 HD2 LYS 20 HD2 LYS 20 16.622 35.930 22.259 158 HD3 LYS 20 HD3 LYS 20 15.827 34.648 23.198 159 HE2 LYS 20 HE2 LYS 20 16.100 36.018 25.274 160 HE3 LYS 20 HE3 LYS 20 16.894 37.283 24.335 161 HZ1 LYS 20 HZ1 LYS 20 14.795 37.514 23.055 162 HZ2 LYS 20 HZ2 LYS 20 14.060 36.440 24.066 163 HZ3 LYS 20 HZ3 LYS 20 14.604 37.854 24.664 164 H CYS 21 H CYS 21 19.203 30.805 23.342 165 HA CYS 21 HA CYS 21 21.341 29.741 21.608 166 HB2 CYS 21 HB2 CYS 21 18.959 28.340 22.856 167 HB3 CYS 21 HB3 CYS 21 20.279 27.562 21.983 168 H ILE 22 H ILE 22 21.242 29.272 19.471 169 HA ILE 22 HA ILE 22 18.597 28.771 18.181 170 HB ILE 22 HB ILE 22 20.732 30.460 16.965 171 HG12 ILE 22 HG12 ILE 22 19.370 31.746 18.606 172 HG13 ILE 22 HG13 ILE 22 19.219 32.319 16.959 173 HG21 ILE 22 HG21 ILE 22 18.116 29.422 15.815 174 HG22 ILE 22 HG22 ILE 22 19.067 30.728 15.083 175 HG23 ILE 22 HG23 ILE 22 19.757 29.109 15.223 176 HD11 ILE 22 HD11 ILE 22 17.005 31.344 16.718 177 HD12 ILE 22 HD12 ILE 22 17.134 30.539 18.300 178 HD13 ILE 22 HD13 ILE 22 17.065 32.310 18.200 179 H GLY 23 H GLY 23 18.986 26.720 18.534 180 HA2 GLY 23 HA2 GLY 23 19.567 24.538 17.896 181 HA3 GLY 23 HA3 GLY 23 20.675 25.188 16.687 182 H GLU 24 H GLU 24 22.428 23.902 17.235 183 HA GLU 24 HA GLU 24 23.380 23.605 19.947 184 HB2 GLU 24 HB2 GLU 24 24.800 22.915 17.355 185 HB3 GLU 24 HB3 GLU 24 25.200 22.323 18.969 186 HG2 GLU 24 HG2 GLU 24 22.735 21.657 17.333 187 HG3 GLU 24 HG3 GLU 24 24.044 20.586 17.790 188 H GLU 25 H GLU 25 23.313 26.469 18.941 189 HA GLU 25 HA GLU 25 25.952 27.288 19.936 190 HB2 GLU 25 HB2 GLU 25 26.437 26.762 17.595 191 HB3 GLU 25 HB3 GLU 25 25.141 27.825 17.050 192 HG2 GLU 25 HG2 GLU 25 26.319 29.782 17.874 193 HG3 GLU 25 HG3 GLU 25 27.555 28.768 18.626 194 H CYS 26 H CYS 26 26.047 29.499 20.607 195 HA CYS 26 HA CYS 26 23.466 30.795 21.056 196 HB2 CYS 26 HB2 CYS 26 26.295 31.710 21.630 197 HB3 CYS 26 HB3 CYS 26 24.823 32.465 22.251 198 H LYS 27 H LYS 27 22.588 32.479 20.025 199 HA LYS 27 HA LYS 27 24.189 34.220 18.191 200 HB2 LYS 27 HB2 LYS 27 21.483 32.968 17.781 201 HB3 LYS 27 HB3 LYS 27 21.703 34.633 17.253 202 HG2 LYS 27 HG2 LYS 27 23.703 33.974 15.936 203 HG3 LYS 27 HG3 LYS 27 23.442 32.290 16.398 204 HD2 LYS 27 HD2 LYS 27 21.176 32.390 15.269 205 HD3 LYS 27 HD3 LYS 27 21.557 34.056 14.771 206 HE2 LYS 27 HE2 LYS 27 23.672 33.134 13.700 207 HE3 LYS 27 HE3 LYS 27 23.058 31.509 14.037 208 HZ1 LYS 27 HZ1 LYS 27 22.544 32.219 11.777 209 HZ2 LYS 27 HZ2 LYS 27 21.142 32.016 12.601 210 HZ3 LYS 27 HZ3 LYS 27 21.699 33.536 12.321 211 H CYS 28 H CYS 28 23.431 36.452 18.107 212 HA CYS 28 HA CYS 28 22.677 37.245 20.889 213 HB2 CYS 28 HB2 CYS 28 24.505 38.754 19.034 214 HB3 CYS 28 HB3 CYS 28 24.202 39.016 20.737 215 H VAL 29 H VAL 29 21.574 39.161 21.328 216 HA VAL 29 HA VAL 29 19.775 40.131 19.174 217 HB VAL 29 HB VAL 29 17.797 39.809 20.516 218 HG11 VAL 29 HG11 VAL 29 19.306 37.173 20.261 219 HG12 VAL 29 HG12 VAL 29 17.550 37.423 20.257 220 HG13 VAL 29 HG13 VAL 29 18.525 38.040 18.919 221 HG21 VAL 29 HG21 VAL 29 18.666 39.868 22.787 222 HG22 VAL 29 HG22 VAL 29 17.790 38.367 22.514 223 HG23 VAL 29 HG23 VAL 29 19.568 38.354 22.526 224 HA PRO 30 HA PRO 30 20.553 44.032 20.682 225 HB2 PRO 30 HB2 PRO 30 17.669 44.844 20.341 226 HB3 PRO 30 HB3 PRO 30 19.143 45.580 19.648 227 HG2 PRO 30 HG2 PRO 30 17.566 44.018 18.121 228 HG3 PRO 30 HG3 PRO 30 19.343 43.821 18.022 229 HD2 PRO 30 HD2 PRO 30 17.351 42.201 19.661 230 HD3 PRO 30 HD3 PRO 30 18.617 41.636 18.543 231 H ALA 31 H ALA 31 20.587 45.515 22.335 232 HA ALA 31 HA ALA 31 19.200 44.903 24.877 233 HB1 ALA 31 HB1 ALA 31 20.739 46.561 25.798 234 HB2 ALA 31 HB2 ALA 31 21.643 45.420 24.795 235 HB3 ALA 31 HB3 ALA 31 21.264 47.044 24.171 Start of MODEL 8 1 H1 ALA 1 H1 ALA 1 19.139 17.108 25.625 2 H2 ALA 1 H2 ALA 1 18.450 17.198 27.114 3 H3 ALA 1 H3 ALA 1 19.506 15.997 26.798 4 HA ALA 1 HA ALA 1 20.537 17.638 28.146 5 HB1 ALA 1 HB1 ALA 1 22.499 18.130 26.782 6 HB2 ALA 1 HB2 ALA 1 21.974 16.475 26.494 7 HB3 ALA 1 HB3 ALA 1 21.606 17.738 25.294 8 H PHE 2 H PHE 2 21.041 19.771 28.595 9 HA PHE 2 HA PHE 2 19.129 21.707 27.432 10 HB2 PHE 2 HB2 PHE 2 20.800 21.858 29.947 11 HB3 PHE 2 HB3 PHE 2 19.461 22.911 29.500 12 HD1 PHE 2 HD1 PHE 2 17.149 21.671 29.040 13 HD2 PHE 2 HD2 PHE 2 20.351 20.007 31.373 14 HE1 PHE 2 HE1 PHE 2 15.519 20.222 30.223 15 HE2 PHE 2 HE2 PHE 2 18.738 18.523 32.537 16 HZ PHE 2 HZ PHE 2 16.314 18.635 31.974 17 H CYS 3 H CYS 3 19.700 23.880 26.895 18 HA CYS 3 HA CYS 3 22.350 24.112 25.661 19 HB2 CYS 3 HB2 CYS 3 20.261 24.805 24.525 20 HB3 CYS 3 HB3 CYS 3 20.079 26.123 25.680 21 H ASN 4 H ASN 4 23.870 25.724 26.024 22 HA ASN 4 HA ASN 4 24.226 26.574 28.803 23 HB2 ASN 4 HB2 ASN 4 26.053 26.902 26.396 24 HB3 ASN 4 HB3 ASN 4 26.488 27.185 28.084 25 HD21 ASN 4 HD21 ASN 4 26.501 23.555 28.747 26 HD22 ASN 4 HD22 ASN 4 25.771 24.986 29.484 27 H LEU 5 H LEU 5 22.094 27.861 27.984 28 HA LEU 5 HA LEU 5 22.366 30.227 26.495 29 HB2 LEU 5 HB2 LEU 5 20.240 29.037 26.974 30 HB3 LEU 5 HB3 LEU 5 20.327 29.599 28.639 31 HG LEU 5 HG LEU 5 20.238 32.001 27.718 32 HD11 LEU 5 HD11 LEU 5 19.359 30.566 25.208 33 HD12 LEU 5 HD12 LEU 5 19.292 32.316 25.510 34 HD13 LEU 5 HD13 LEU 5 20.869 31.514 25.380 35 HD21 LEU 5 HD21 LEU 5 18.286 30.883 28.726 36 HD22 LEU 5 HD22 LEU 5 17.808 31.930 27.381 37 HD23 LEU 5 HD23 LEU 5 17.878 30.168 27.151 38 H ARG 6 H ARG 6 22.705 29.962 30.104 39 HA ARG 6 HA ARG 6 22.808 32.794 30.559 40 HB2 ARG 6 HB2 ARG 6 22.291 30.961 32.213 41 HB3 ARG 6 HB3 ARG 6 24.008 30.538 32.230 42 HG2 ARG 6 HG2 ARG 6 24.546 32.771 33.139 43 HG3 ARG 6 HG3 ARG 6 22.845 33.263 32.976 44 HD2 ARG 6 HD2 ARG 6 23.149 32.679 35.262 45 HD3 ARG 6 HD3 ARG 6 22.241 31.349 34.517 46 HE ARG 6 HE ARG 6 25.077 30.824 34.423 47 HH11 ARG 6 HH11 ARG 6 26.203 29.796 35.934 48 HH12 ARG 6 HH12 ARG 6 25.439 29.151 37.380 49 HH21 ARG 6 HH21 ARG 6 22.389 30.653 36.717 50 HH22 ARG 6 HH22 ARG 6 23.379 29.887 37.920 51 H ARG 7 H ARG 7 25.300 30.421 29.770 52 HA ARG 7 HA ARG 7 27.519 32.366 29.830 53 HB2 ARG 7 HB2 ARG 7 27.225 29.542 28.739 54 HB3 ARG 7 HB3 ARG 7 28.634 30.552 28.416 55 HG2 ARG 7 HG2 ARG 7 28.932 30.838 30.916 56 HG3 ARG 7 HG3 ARG 7 27.690 29.584 31.140 57 HD2 ARG 7 HD2 ARG 7 29.060 27.993 29.826 58 HD3 ARG 7 HD3 ARG 7 30.226 29.284 29.479 59 HE ARG 7 HE ARG 7 29.842 28.812 32.335 60 HH11 ARG 7 HH11 ARG 7 31.866 28.034 29.548 61 HH12 ARG 7 HH12 ARG 7 33.277 27.865 30.581 62 HH21 ARG 7 HH21 ARG 7 31.500 27.931 33.515 63 HH22 ARG 7 HH22 ARG 7 33.030 27.584 32.732 64 H CYS 8 H CYS 8 25.345 31.115 27.263 65 HA CYS 8 HA CYS 8 26.557 32.469 25.082 66 HB2 CYS 8 HB2 CYS 8 24.866 30.719 24.839 67 HB3 CYS 8 HB3 CYS 8 23.660 31.751 25.610 68 H GLU 9 H GLU 9 24.042 33.653 27.366 69 HA GLU 9 HA GLU 9 23.742 36.306 26.379 70 HB2 GLU 9 HB2 GLU 9 23.550 35.038 29.119 71 HB3 GLU 9 HB3 GLU 9 23.290 36.759 28.918 72 HG2 GLU 9 HG2 GLU 9 21.754 34.830 27.149 73 HG3 GLU 9 HG3 GLU 9 21.288 35.033 28.838 74 H LEU 10 H LEU 10 26.235 35.072 28.719 75 HA LEU 10 HA LEU 10 27.395 37.642 29.180 76 HB2 LEU 10 HB2 LEU 10 27.256 35.974 30.874 77 HB3 LEU 10 HB3 LEU 10 27.897 34.720 29.815 78 HG LEU 10 HG LEU 10 30.043 35.783 29.791 79 HD11 LEU 10 HD11 LEU 10 30.606 37.507 31.537 80 HD12 LEU 10 HD12 LEU 10 29.432 38.139 30.374 81 HD13 LEU 10 HD13 LEU 10 28.890 37.598 31.977 82 HD21 LEU 10 HD21 LEU 10 29.594 33.972 31.361 83 HD22 LEU 10 HD22 LEU 10 30.663 35.144 32.134 84 HD23 LEU 10 HD23 LEU 10 28.937 35.118 32.553 85 H SER 11 H SER 11 28.073 34.954 26.937 86 HA SER 11 HA SER 11 30.533 35.937 25.839 87 HB2 SER 11 HB2 SER 11 29.734 33.672 25.437 88 HB3 SER 11 HB3 SER 11 28.300 34.284 24.592 89 HG SER 11 HG SER 11 29.445 34.579 22.849 90 H CYS 12 H CYS 12 27.110 36.718 25.087 91 HA CYS 12 HA CYS 12 27.873 38.555 22.935 92 HB2 CYS 12 HB2 CYS 12 25.204 38.066 24.283 93 HB3 CYS 12 HB3 CYS 12 25.480 38.990 22.787 94 H ARG 13 H ARG 13 26.997 38.925 26.380 95 HA ARG 13 HA ARG 13 26.932 41.721 26.616 96 HB2 ARG 13 HB2 ARG 13 26.637 39.982 28.431 97 HB3 ARG 13 HB3 ARG 13 28.395 39.794 28.462 98 HG2 ARG 13 HG2 ARG 13 28.501 42.336 28.968 99 HG3 ARG 13 HG3 ARG 13 26.762 42.223 29.271 100 HD2 ARG 13 HD2 ARG 13 28.980 40.643 30.645 101 HD3 ARG 13 HD3 ARG 13 28.093 42.010 31.341 102 HE ARG 13 HE ARG 13 26.255 39.936 30.525 103 HH11 ARG 13 HH11 ARG 13 28.465 40.613 33.206 104 HH12 ARG 13 HH12 ARG 13 27.220 40.056 34.340 105 HH21 ARG 13 HH21 ARG 13 25.100 38.909 31.957 106 HH22 ARG 13 HH22 ARG 13 25.488 39.038 33.676 107 H SER 14 H SER 14 29.785 39.634 26.215 108 HA SER 14 HA SER 14 31.808 41.564 26.569 109 HB2 SER 14 HB2 SER 14 33.298 40.114 25.578 110 HB3 SER 14 HB3 SER 14 32.081 39.042 26.276 111 HG SER 14 HG SER 14 31.283 38.627 24.239 112 H LEU 15 H LEU 15 29.686 41.169 23.805 113 HA LEU 15 HA LEU 15 31.135 43.250 22.249 114 HB2 LEU 15 HB2 LEU 15 29.023 41.268 21.352 115 HB3 LEU 15 HB3 LEU 15 29.900 42.407 20.324 116 HG LEU 15 HG LEU 15 31.046 39.982 21.765 117 HD11 LEU 15 HD11 LEU 15 30.724 40.659 18.813 118 HD12 LEU 15 HD12 LEU 15 31.443 39.176 19.480 119 HD13 LEU 15 HD13 LEU 15 29.723 39.513 19.734 120 HD21 LEU 15 HD21 LEU 15 32.463 42.067 20.050 121 HD22 LEU 15 HD22 LEU 15 32.785 41.704 21.763 122 HD23 LEU 15 HD23 LEU 15 33.158 40.503 20.526 123 H GLY 16 H GLY 16 28.810 43.299 24.518 124 HA2 GLY 16 HA2 GLY 16 27.595 45.169 25.151 125 HA3 GLY 16 HA3 GLY 16 27.816 45.876 23.553 126 H LEU 17 H LEU 17 26.407 42.687 23.461 127 HA LEU 17 HA LEU 17 23.644 43.778 23.411 128 HB2 LEU 17 HB2 LEU 17 23.156 42.964 21.297 129 HB3 LEU 17 HB3 LEU 17 24.628 43.902 21.127 130 HG LEU 17 HG LEU 17 24.368 40.886 21.198 131 HD11 LEU 17 HD11 LEU 17 23.392 41.987 19.153 132 HD12 LEU 17 HD12 LEU 17 24.985 42.706 18.829 133 HD13 LEU 17 HD13 LEU 17 24.772 40.952 18.782 134 HD21 LEU 17 HD21 LEU 17 26.774 42.641 20.586 135 HD22 LEU 17 HD22 LEU 17 26.605 41.443 21.889 136 HD23 LEU 17 HD23 LEU 17 26.698 40.902 20.217 137 H LEU 18 H LEU 18 22.118 41.674 22.791 138 HA LEU 18 HA LEU 18 22.378 40.065 25.260 139 HB2 LEU 18 HB2 LEU 18 20.157 40.187 23.198 140 HB3 LEU 18 HB3 LEU 18 20.068 39.399 24.768 141 HG LEU 18 HG LEU 18 20.367 42.401 24.312 142 HD11 LEU 18 HD11 LEU 18 18.029 42.501 25.114 143 HD12 LEU 18 HD12 LEU 18 18.179 41.557 23.622 144 HD13 LEU 18 HD13 LEU 18 17.973 40.725 25.176 145 HD21 LEU 18 HD21 LEU 18 19.857 42.608 26.710 146 HD22 LEU 18 HD22 LEU 18 19.827 40.839 26.864 147 HD23 LEU 18 HD23 LEU 18 21.344 41.683 26.468 148 H GLY 19 H GLY 19 21.944 37.713 25.213 149 HA2 GLY 19 HA2 GLY 19 22.951 36.376 22.707 150 HA3 GLY 19 HA3 GLY 19 23.250 35.758 24.323 151 H LYS 20 H LYS 20 21.947 34.483 21.992 152 HA LYS 20 HA LYS 20 19.554 33.485 23.438 153 HB2 LYS 20 HB2 LYS 20 18.989 35.398 21.779 154 HB3 LYS 20 HB3 LYS 20 19.362 34.239 20.505 155 HG2 LYS 20 HG2 LYS 20 17.638 32.677 21.568 156 HG3 LYS 20 HG3 LYS 20 17.229 33.993 22.679 157 HD2 LYS 20 HD2 LYS 20 16.999 34.049 19.646 158 HD3 LYS 20 HD3 LYS 20 15.656 33.844 20.771 159 HE2 LYS 20 HE2 LYS 20 15.882 36.098 21.617 160 HE3 LYS 20 HE3 LYS 20 17.431 36.307 20.788 161 HZ1 LYS 20 HZ1 LYS 20 16.210 36.004 18.664 162 HZ2 LYS 20 HZ2 LYS 20 14.782 36.112 19.455 163 HZ3 LYS 20 HZ3 LYS 20 15.835 37.380 19.431 164 H CYS 21 H CYS 21 19.409 31.316 23.353 165 HA CYS 21 HA CYS 21 21.062 29.793 21.423 166 HB2 CYS 21 HB2 CYS 21 20.949 29.179 23.823 167 HB3 CYS 21 HB3 CYS 21 19.248 28.756 23.618 168 H ILE 22 H ILE 22 20.337 29.100 19.540 169 HA ILE 22 HA ILE 22 17.453 29.353 18.865 170 HB ILE 22 HB ILE 22 19.685 29.026 16.873 171 HG12 ILE 22 HG12 ILE 22 20.465 30.915 18.194 172 HG13 ILE 22 HG13 ILE 22 19.923 31.426 16.617 173 HG21 ILE 22 HG21 ILE 22 17.404 28.871 15.968 174 HG22 ILE 22 HG22 ILE 22 16.943 30.379 16.753 175 HG23 ILE 22 HG23 ILE 22 18.137 30.380 15.437 176 HD11 ILE 22 HD11 ILE 22 19.255 33.005 18.399 177 HD12 ILE 22 HD12 ILE 22 17.842 32.349 17.563 178 HD13 ILE 22 HD13 ILE 22 18.287 31.743 19.176 179 H GLY 23 H GLY 23 18.238 27.135 20.418 180 HA2 GLY 23 HA2 GLY 23 17.938 24.861 20.585 181 HA3 GLY 23 HA3 GLY 23 17.410 24.816 18.903 182 H GLU 24 H GLU 24 19.294 25.329 17.331 183 HA GLU 24 HA GLU 24 21.182 23.132 17.568 184 HB2 GLU 24 HB2 GLU 24 20.064 23.682 15.476 185 HB3 GLU 24 HB3 GLU 24 20.682 25.333 15.522 186 HG2 GLU 24 HG2 GLU 24 21.844 23.983 13.865 187 HG3 GLU 24 HG3 GLU 24 22.943 24.595 15.075 188 H GLU 25 H GLU 25 21.469 26.646 17.945 189 HA GLU 25 HA GLU 25 24.264 26.462 18.806 190 HB2 GLU 25 HB2 GLU 25 25.090 27.908 17.001 191 HB3 GLU 25 HB3 GLU 25 24.477 26.379 16.390 192 HG2 GLU 25 HG2 GLU 25 22.260 27.714 15.923 193 HG3 GLU 25 HG3 GLU 25 23.276 29.149 16.104 194 H CYS 26 H CYS 26 25.109 28.425 19.654 195 HA CYS 26 HA CYS 26 23.152 30.413 20.643 196 HB2 CYS 26 HB2 CYS 26 24.787 29.639 22.232 197 HB3 CYS 26 HB3 CYS 26 26.092 29.858 21.080 198 H LYS 27 H LYS 27 23.050 32.539 19.996 199 HA LYS 27 HA LYS 27 25.218 33.784 18.494 200 HB2 LYS 27 HB2 LYS 27 24.135 34.485 16.590 201 HB3 LYS 27 HB3 LYS 27 23.832 32.756 16.708 202 HG2 LYS 27 HG2 LYS 27 21.561 33.254 17.653 203 HG3 LYS 27 HG3 LYS 27 21.880 34.985 17.387 204 HD2 LYS 27 HD2 LYS 27 22.332 34.471 14.958 205 HD3 LYS 27 HD3 LYS 27 21.819 32.791 15.265 206 HE2 LYS 27 HE2 LYS 27 19.664 33.698 16.167 207 HE3 LYS 27 HE3 LYS 27 20.201 35.324 15.722 208 HZ1 LYS 27 HZ1 LYS 27 20.334 34.525 13.390 209 HZ2 LYS 27 HZ2 LYS 27 19.785 33.063 13.831 210 HZ3 LYS 27 HZ3 LYS 27 18.783 34.363 13.982 211 H CYS 28 H CYS 28 25.010 36.135 18.323 212 HA CYS 28 HA CYS 28 23.529 37.189 20.649 213 HB2 CYS 28 HB2 CYS 28 25.591 38.630 18.989 214 HB3 CYS 28 HB3 CYS 28 24.964 39.054 20.568 215 H VAL 29 H VAL 29 22.277 39.057 20.624 216 HA VAL 29 HA VAL 29 21.077 39.905 18.046 217 HB VAL 29 HB VAL 29 18.822 39.547 18.875 218 HG11 VAL 29 HG11 VAL 29 20.355 36.926 19.032 219 HG12 VAL 29 HG12 VAL 29 18.655 37.164 18.589 220 HG13 VAL 29 HG13 VAL 29 19.930 37.768 17.523 221 HG21 VAL 29 HG21 VAL 29 20.062 38.140 21.270 222 HG22 VAL 29 HG22 VAL 29 19.115 39.651 21.281 223 HG23 VAL 29 HG23 VAL 29 18.339 38.146 20.830 224 HA PRO 30 HA PRO 30 21.360 43.836 19.812 225 HB2 PRO 30 HB2 PRO 30 19.289 45.284 18.700 226 HB3 PRO 30 HB3 PRO 30 20.745 44.744 17.815 227 HG2 PRO 30 HG2 PRO 30 18.037 43.368 17.941 228 HG3 PRO 30 HG3 PRO 30 19.022 43.744 16.494 229 HD2 PRO 30 HD2 PRO 30 19.075 41.302 17.603 230 HD3 PRO 30 HD3 PRO 30 20.593 42.048 17.012 231 H ALA 31 H ALA 31 20.914 44.967 21.572 232 HA ALA 31 HA ALA 31 18.946 44.042 23.486 233 HB1 ALA 31 HB1 ALA 31 20.040 45.692 24.960 234 HB2 ALA 31 HB2 ALA 31 21.252 44.713 24.112 235 HB3 ALA 31 HB3 ALA 31 20.914 46.374 23.574 Start of MODEL 9 1 H1 ALA 1 H1 ALA 1 23.965 17.246 22.366 2 H2 ALA 1 H2 ALA 1 24.328 18.778 21.863 3 H3 ALA 1 H3 ALA 1 22.774 18.246 21.853 4 HA ALA 1 HA ALA 1 22.705 18.018 24.192 5 HB1 ALA 1 HB1 ALA 1 24.515 18.972 25.579 6 HB2 ALA 1 HB2 ALA 1 25.113 17.629 24.587 7 HB3 ALA 1 HB3 ALA 1 25.471 19.314 24.118 8 H PHE 2 H PHE 2 21.898 19.775 25.491 9 HA PHE 2 HA PHE 2 20.877 21.974 23.935 10 HB2 PHE 2 HB2 PHE 2 21.082 21.738 26.959 11 HB3 PHE 2 HB3 PHE 2 20.030 22.817 26.071 12 HD1 PHE 2 HD1 PHE 2 19.253 20.433 23.959 13 HD2 PHE 2 HD2 PHE 2 19.193 20.948 28.249 14 HE1 PHE 2 HE1 PHE 2 17.415 18.799 24.138 15 HE2 PHE 2 HE2 PHE 2 17.333 19.326 28.400 16 HZ PHE 2 HZ PHE 2 16.453 18.220 26.354 17 H CYS 3 H CYS 3 21.345 24.148 23.867 18 HA CYS 3 HA CYS 3 24.051 24.940 24.138 19 HB2 CYS 3 HB2 CYS 3 23.287 27.100 23.409 20 HB3 CYS 3 HB3 CYS 3 22.491 25.835 22.491 21 H ASN 4 H ASN 4 25.082 26.340 25.452 22 HA ASN 4 HA ASN 4 24.356 26.494 28.275 23 HB2 ASN 4 HB2 ASN 4 26.818 27.251 26.624 24 HB3 ASN 4 HB3 ASN 4 26.707 27.436 28.374 25 HD21 ASN 4 HD21 ASN 4 26.892 23.979 29.105 26 HD22 ASN 4 HD22 ASN 4 26.366 25.569 29.691 27 H LEU 5 H LEU 5 22.494 27.892 26.981 28 HA LEU 5 HA LEU 5 22.831 30.425 26.082 29 HB2 LEU 5 HB2 LEU 5 20.709 28.947 26.441 30 HB3 LEU 5 HB3 LEU 5 20.468 29.909 27.891 31 HG LEU 5 HG LEU 5 20.707 30.996 25.035 32 HD11 LEU 5 HD11 LEU 5 18.279 31.293 25.135 33 HD12 LEU 5 HD12 LEU 5 18.693 29.594 25.398 34 HD13 LEU 5 HD13 LEU 5 18.238 30.617 26.776 35 HD21 LEU 5 HD21 LEU 5 21.241 32.825 26.480 36 HD22 LEU 5 HD22 LEU 5 19.564 33.043 26.027 37 HD23 LEU 5 HD23 LEU 5 19.955 32.395 27.634 38 H ARG 6 H ARG 6 22.753 29.677 29.595 39 HA ARG 6 HA ARG 6 22.825 32.336 30.617 40 HB2 ARG 6 HB2 ARG 6 22.441 30.270 31.915 41 HB3 ARG 6 HB3 ARG 6 24.115 29.772 31.671 42 HG2 ARG 6 HG2 ARG 6 24.896 31.716 32.989 43 HG3 ARG 6 HG3 ARG 6 23.240 32.339 33.044 44 HD2 ARG 6 HD2 ARG 6 23.677 31.314 35.157 45 HD3 ARG 6 HD3 ARG 6 22.542 30.277 34.279 46 HE ARG 6 HE ARG 6 25.240 29.410 33.796 47 HH11 ARG 6 HH11 ARG 6 22.595 29.084 36.053 48 HH12 ARG 6 HH12 ARG 6 23.451 27.937 37.058 49 HH21 ARG 6 HH21 ARG 6 26.284 27.877 35.075 50 HH22 ARG 6 HH22 ARG 6 25.451 27.186 36.442 51 H ARG 7 H ARG 7 25.545 30.267 29.565 52 HA ARG 7 HA ARG 7 27.641 32.229 30.106 53 HB2 ARG 7 HB2 ARG 7 28.009 29.831 30.272 54 HB3 ARG 7 HB3 ARG 7 27.424 29.563 28.651 55 HG2 ARG 7 HG2 ARG 7 29.769 29.294 28.798 56 HG3 ARG 7 HG3 ARG 7 29.335 30.572 27.662 57 HD2 ARG 7 HD2 ARG 7 29.997 31.453 30.461 58 HD3 ARG 7 HD3 ARG 7 31.309 30.706 29.547 59 HE ARG 7 HE ARG 7 29.948 32.728 27.978 60 HH11 ARG 7 HH11 ARG 7 32.559 32.389 30.350 61 HH12 ARG 7 HH12 ARG 7 33.215 33.947 29.855 62 HH21 ARG 7 HH21 ARG 7 31.128 34.353 27.237 63 HH22 ARG 7 HH22 ARG 7 32.466 35.006 28.199 64 H CYS 8 H CYS 8 25.750 31.120 27.276 65 HA CYS 8 HA CYS 8 27.046 32.693 25.306 66 HB2 CYS 8 HB2 CYS 8 24.095 32.017 25.431 67 HB3 CYS 8 HB3 CYS 8 24.996 32.522 24.014 68 H GLU 9 H GLU 9 24.260 33.670 27.433 69 HA GLU 9 HA GLU 9 23.979 36.343 26.434 70 HB2 GLU 9 HB2 GLU 9 23.455 35.031 29.101 71 HB3 GLU 9 HB3 GLU 9 23.255 36.767 28.924 72 HG2 GLU 9 HG2 GLU 9 21.890 35.079 26.852 73 HG3 GLU 9 HG3 GLU 9 21.286 34.929 28.497 74 H LEU 10 H LEU 10 26.225 35.086 28.960 75 HA LEU 10 HA LEU 10 27.390 37.611 29.607 76 HB2 LEU 10 HB2 LEU 10 27.425 35.939 31.232 77 HB3 LEU 10 HB3 LEU 10 27.793 34.668 30.084 78 HG LEU 10 HG LEU 10 30.050 35.511 29.834 79 HD11 LEU 10 HD11 LEU 10 31.020 37.021 31.525 80 HD12 LEU 10 HD12 LEU 10 29.699 37.849 30.693 81 HD13 LEU 10 HD13 LEU 10 29.439 37.190 32.316 82 HD21 LEU 10 HD21 LEU 10 29.253 34.764 32.679 83 HD22 LEU 10 HD22 LEU 10 29.516 33.628 31.342 84 HD23 LEU 10 HD23 LEU 10 30.872 34.578 31.975 85 H SER 11 H SER 11 28.285 35.040 27.254 86 HA SER 11 HA SER 11 30.638 36.253 26.174 87 HB2 SER 11 HB2 SER 11 28.574 34.501 24.768 88 HB3 SER 11 HB3 SER 11 30.218 34.810 24.220 89 HG SER 11 HG SER 11 29.913 32.809 25.360 90 H CYS 12 H CYS 12 27.181 36.734 25.323 91 HA CYS 12 HA CYS 12 27.837 38.504 23.092 92 HB2 CYS 12 HB2 CYS 12 25.198 38.024 24.504 93 HB3 CYS 12 HB3 CYS 12 25.426 38.853 22.955 94 H ARG 13 H ARG 13 26.893 39.014 26.537 95 HA ARG 13 HA ARG 13 26.633 41.841 26.441 96 HB2 ARG 13 HB2 ARG 13 27.531 39.952 28.658 97 HB3 ARG 13 HB3 ARG 13 27.171 41.640 28.888 98 HG2 ARG 13 HG2 ARG 13 25.407 39.418 28.973 99 HG3 ARG 13 HG3 ARG 13 25.112 41.090 29.405 100 HD2 ARG 13 HD2 ARG 13 24.469 41.583 27.019 101 HD3 ARG 13 HD3 ARG 13 24.731 39.893 26.631 102 HE ARG 13 HE ARG 13 22.780 39.259 27.655 103 HH11 ARG 13 HH11 ARG 13 23.264 42.658 28.390 104 HH12 ARG 13 HH12 ARG 13 21.577 42.892 28.799 105 HH21 ARG 13 HH21 ARG 13 20.801 39.550 28.134 106 HH22 ARG 13 HH22 ARG 13 20.155 41.109 28.680 107 H SER 14 H SER 14 29.498 39.832 26.696 108 HA SER 14 HA SER 14 31.458 41.921 26.980 109 HB2 SER 14 HB2 SER 14 32.105 39.646 27.328 110 HB3 SER 14 HB3 SER 14 31.597 39.178 25.702 111 HG SER 14 HG SER 14 33.690 41.037 26.267 112 H LEU 15 H LEU 15 29.845 40.612 24.041 113 HA LEU 15 HA LEU 15 31.311 42.366 22.218 114 HB2 LEU 15 HB2 LEU 15 28.978 40.473 21.839 115 HB3 LEU 15 HB3 LEU 15 29.758 41.337 20.527 116 HG LEU 15 HG LEU 15 31.146 39.294 22.341 117 HD11 LEU 15 HD11 LEU 15 30.072 39.025 19.491 118 HD12 LEU 15 HD12 LEU 15 30.998 37.801 20.395 119 HD13 LEU 15 HD13 LEU 15 29.390 38.267 20.948 120 HD21 LEU 15 HD21 LEU 15 32.877 39.317 20.550 121 HD22 LEU 15 HD22 LEU 15 32.027 40.651 19.741 122 HD23 LEU 15 HD23 LEU 15 32.750 40.876 21.353 123 H GLY 16 H GLY 16 28.733 42.852 24.304 124 HA2 GLY 16 HA2 GLY 16 27.840 44.980 24.745 125 HA3 GLY 16 HA3 GLY 16 28.159 45.486 23.083 126 H LEU 17 H LEU 17 26.487 42.421 23.353 127 HA LEU 17 HA LEU 17 23.827 43.677 23.065 128 HB2 LEU 17 HB2 LEU 17 23.378 42.772 20.956 129 HB3 LEU 17 HB3 LEU 17 24.859 43.683 20.811 130 HG LEU 17 HG LEU 17 24.540 40.670 20.961 131 HD11 LEU 17 HD11 LEU 17 25.263 42.477 18.601 132 HD12 LEU 17 HD12 LEU 17 25.151 40.706 18.554 133 HD13 LEU 17 HD13 LEU 17 23.707 41.674 18.843 134 HD21 LEU 17 HD21 LEU 17 26.744 41.177 21.762 135 HD22 LEU 17 HD22 LEU 17 26.912 40.588 20.116 136 HD23 LEU 17 HD23 LEU 17 27.035 42.335 20.438 137 H LEU 18 H LEU 18 22.118 41.790 22.567 138 HA LEU 18 HA LEU 18 22.147 40.303 25.079 139 HB2 LEU 18 HB2 LEU 18 20.051 40.240 22.882 140 HB3 LEU 18 HB3 LEU 18 19.847 39.814 24.572 141 HG LEU 18 HG LEU 18 20.288 42.616 23.435 142 HD11 LEU 18 HD11 LEU 18 18.060 41.699 23.005 143 HD12 LEU 18 HD12 LEU 18 17.871 41.269 24.718 144 HD13 LEU 18 HD13 LEU 18 17.969 42.972 24.237 145 HD21 LEU 18 HD21 LEU 18 19.754 41.767 26.309 146 HD22 LEU 18 HD22 LEU 18 21.287 42.445 25.700 147 HD23 LEU 18 HD23 LEU 18 19.822 43.434 25.706 148 H GLY 19 H GLY 19 21.846 37.980 25.322 149 HA2 GLY 19 HA2 GLY 19 22.908 36.372 23.027 150 HA3 GLY 19 HA3 GLY 19 22.925 35.884 24.711 151 H LYS 20 H LYS 20 21.725 34.837 22.054 152 HA LYS 20 HA LYS 20 19.253 33.752 23.254 153 HB2 LYS 20 HB2 LYS 20 19.337 35.255 20.594 154 HB3 LYS 20 HB3 LYS 20 18.052 34.139 21.048 155 HG2 LYS 20 HG2 LYS 20 17.844 35.544 23.226 156 HG3 LYS 20 HG3 LYS 20 18.792 36.763 22.362 157 HD2 LYS 20 HD2 LYS 20 17.018 36.806 20.587 158 HD3 LYS 20 HD3 LYS 20 16.087 35.621 21.537 159 HE2 LYS 20 HE2 LYS 20 16.110 37.165 23.488 160 HE3 LYS 20 HE3 LYS 20 17.023 38.352 22.550 161 HZ1 LYS 20 HZ1 LYS 20 14.754 38.940 22.516 162 HZ2 LYS 20 HZ2 LYS 20 15.119 38.442 21.004 163 HZ3 LYS 20 HZ3 LYS 20 14.258 37.438 21.994 164 H CYS 21 H CYS 21 18.397 31.922 21.864 165 HA CYS 21 HA CYS 21 20.525 30.437 20.432 166 HB2 CYS 21 HB2 CYS 21 21.083 29.961 22.721 167 HB3 CYS 21 HB3 CYS 21 19.392 29.692 23.141 168 H ILE 22 H ILE 22 19.913 28.629 19.345 169 HA ILE 22 HA ILE 22 17.069 27.742 19.372 170 HB ILE 22 HB ILE 22 18.756 28.072 16.893 171 HG12 ILE 22 HG12 ILE 22 17.791 30.237 17.608 172 HG13 ILE 22 HG13 ILE 22 17.161 29.673 16.075 173 HG21 ILE 22 HG21 ILE 22 16.726 27.284 15.672 174 HG22 ILE 22 HG22 ILE 22 17.453 26.043 16.691 175 HG23 ILE 22 HG23 ILE 22 15.983 26.868 17.237 176 HD11 ILE 22 HD11 ILE 22 15.418 30.701 17.501 177 HD12 ILE 22 HD12 ILE 22 15.037 29.026 17.088 178 HD13 ILE 22 HD13 ILE 22 15.644 29.423 18.709 179 H GLY 23 H GLY 23 17.339 25.994 20.452 180 HA2 GLY 23 HA2 GLY 23 17.871 23.876 21.134 181 HA3 GLY 23 HA3 GLY 23 18.310 23.575 19.466 182 H GLU 24 H GLU 24 20.395 23.310 18.947 183 HA GLU 24 HA GLU 24 22.439 23.098 21.072 184 HB2 GLU 24 HB2 GLU 24 21.828 21.202 19.631 185 HB3 GLU 24 HB3 GLU 24 22.362 22.093 18.205 186 HG2 GLU 24 HG2 GLU 24 24.653 21.867 18.818 187 HG3 GLU 24 HG3 GLU 24 24.256 21.454 20.488 188 H GLU 25 H GLU 25 21.546 25.723 19.373 189 HA GLU 25 HA GLU 25 24.358 26.694 18.992 190 HB2 GLU 25 HB2 GLU 25 23.681 25.845 16.857 191 HB3 GLU 25 HB3 GLU 25 22.123 26.659 16.977 192 HG2 GLU 25 HG2 GLU 25 23.295 27.875 15.401 193 HG3 GLU 25 HG3 GLU 25 23.337 28.882 16.830 194 H CYS 26 H CYS 26 24.670 28.409 20.119 195 HA CYS 26 HA CYS 26 22.592 30.424 20.733 196 HB2 CYS 26 HB2 CYS 26 25.497 30.063 21.505 197 HB3 CYS 26 HB3 CYS 26 24.594 31.528 21.860 198 H LYS 27 H LYS 27 22.457 32.382 19.764 199 HA LYS 27 HA LYS 27 24.788 33.563 18.346 200 HB2 LYS 27 HB2 LYS 27 22.052 33.348 17.010 201 HB3 LYS 27 HB3 LYS 27 23.423 34.303 16.427 202 HG2 LYS 27 HG2 LYS 27 24.741 32.210 16.154 203 HG3 LYS 27 HG3 LYS 27 23.337 31.267 16.685 204 HD2 LYS 27 HD2 LYS 27 21.988 32.311 14.843 205 HD3 LYS 27 HD3 LYS 27 23.465 33.082 14.238 206 HE2 LYS 27 HE2 LYS 27 22.928 30.086 14.513 207 HE3 LYS 27 HE3 LYS 27 22.897 31.036 13.026 208 HZ1 LYS 27 HZ1 LYS 27 25.324 31.608 13.657 209 HZ2 LYS 27 HZ2 LYS 27 25.245 30.230 14.585 210 HZ3 LYS 27 HZ3 LYS 27 24.997 30.124 12.989 211 H CYS 28 H CYS 28 24.960 35.724 18.676 212 HA CYS 28 HA CYS 28 23.197 36.890 20.687 213 HB2 CYS 28 HB2 CYS 28 25.406 38.335 19.217 214 HB3 CYS 28 HB3 CYS 28 24.738 38.669 20.792 215 H VAL 29 H VAL 29 22.048 38.916 20.523 216 HA VAL 29 HA VAL 29 21.558 40.021 17.829 217 HB VAL 29 HB VAL 29 19.143 40.138 18.118 218 HG11 VAL 29 HG11 VAL 29 20.103 37.253 18.231 219 HG12 VAL 29 HG12 VAL 29 18.597 37.863 17.521 220 HG13 VAL 29 HG13 VAL 29 20.148 38.306 16.797 221 HG21 VAL 29 HG21 VAL 29 17.950 38.747 19.725 222 HG22 VAL 29 HG22 VAL 29 19.482 38.258 20.492 223 HG23 VAL 29 HG23 VAL 29 18.925 39.945 20.566 224 HA PRO 30 HA PRO 30 21.490 43.826 20.241 225 HB2 PRO 30 HB2 PRO 30 19.845 44.961 18.033 226 HB3 PRO 30 HB3 PRO 30 21.351 45.589 18.741 227 HG2 PRO 30 HG2 PRO 30 21.363 44.395 16.302 228 HG3 PRO 30 HG3 PRO 30 22.666 44.039 17.486 229 HD2 PRO 30 HD2 PRO 30 20.157 42.414 16.919 230 HD3 PRO 30 HD3 PRO 30 21.876 41.877 17.005 231 H ALA 31 H ALA 31 20.002 45.255 21.350 232 HA ALA 31 HA ALA 31 17.554 44.068 22.241 233 HB1 ALA 31 HB1 ALA 31 17.349 46.155 23.536 234 HB2 ALA 31 HB2 ALA 31 18.990 45.502 23.629 235 HB3 ALA 31 HB3 ALA 31 18.655 46.891 22.575 Start of MODEL 10 1 H1 ALA 1 H1 ALA 1 18.407 22.493 22.380 2 H2 ALA 1 H2 ALA 1 17.326 21.281 22.602 3 H3 ALA 1 H3 ALA 1 18.731 20.992 21.781 4 HA ALA 1 HA ALA 1 18.477 21.701 24.618 5 HB1 ALA 1 HB1 ALA 1 19.238 19.397 25.092 6 HB2 ALA 1 HB2 ALA 1 17.739 19.370 24.162 7 HB3 ALA 1 HB3 ALA 1 19.286 19.041 23.350 8 H PHE 2 H PHE 2 20.445 21.475 25.846 9 HA PHE 2 HA PHE 2 22.593 21.901 26.342 10 HB2 PHE 2 HB2 PHE 2 23.392 20.300 23.925 11 HB3 PHE 2 HB3 PHE 2 24.160 20.393 25.507 12 HD1 PHE 2 HD1 PHE 2 22.557 18.180 23.474 13 HD2 PHE 2 HD2 PHE 2 22.158 19.752 27.469 14 HE1 PHE 2 HE1 PHE 2 21.269 16.179 24.141 15 HE2 PHE 2 HE2 PHE 2 20.858 17.747 28.116 16 HZ PHE 2 HZ PHE 2 20.405 15.950 26.462 17 H CYS 3 H CYS 3 21.515 24.019 24.734 18 HA CYS 3 HA CYS 3 23.690 24.879 22.973 19 HB2 CYS 3 HB2 CYS 3 22.203 26.808 22.493 20 HB3 CYS 3 HB3 CYS 3 21.460 25.241 22.193 21 H ASN 4 H ASN 4 23.482 24.952 26.130 22 HA ASN 4 HA ASN 4 24.420 26.096 27.879 23 HB2 ASN 4 HB2 ASN 4 26.603 26.528 25.816 24 HB3 ASN 4 HB3 ASN 4 26.806 26.494 27.565 25 HD21 ASN 4 HD21 ASN 4 26.308 22.857 27.702 26 HD22 ASN 4 HD22 ASN 4 25.724 24.279 28.551 27 H LEU 5 H LEU 5 22.569 27.831 26.610 28 HA LEU 5 HA LEU 5 23.441 30.241 25.712 29 HB2 LEU 5 HB2 LEU 5 21.114 29.295 25.707 30 HB3 LEU 5 HB3 LEU 5 20.950 29.809 27.387 31 HG LEU 5 HG LEU 5 21.153 32.169 26.714 32 HD11 LEU 5 HD11 LEU 5 22.575 32.064 24.791 33 HD12 LEU 5 HD12 LEU 5 21.407 31.063 23.908 34 HD13 LEU 5 HD13 LEU 5 21.046 32.771 24.317 35 HD21 LEU 5 HD21 LEU 5 18.955 31.205 26.849 36 HD22 LEU 5 HD22 LEU 5 19.030 32.385 25.533 37 HD23 LEU 5 HD23 LEU 5 19.047 30.644 25.176 38 H ARG 6 H ARG 6 23.302 29.472 29.195 39 HA ARG 6 HA ARG 6 23.406 32.130 30.205 40 HB2 ARG 6 HB2 ARG 6 22.956 30.047 31.521 41 HB3 ARG 6 HB3 ARG 6 24.667 29.621 31.410 42 HG2 ARG 6 HG2 ARG 6 25.266 31.674 32.667 43 HG3 ARG 6 HG3 ARG 6 23.571 32.188 32.647 44 HD2 ARG 6 HD2 ARG 6 24.088 31.316 34.819 45 HD3 ARG 6 HD3 ARG 6 22.944 30.233 34.018 46 HE ARG 6 HE ARG 6 25.613 29.297 33.549 47 HH11 ARG 6 HH11 ARG 6 23.465 29.593 36.353 48 HH12 ARG 6 HH12 ARG 6 24.121 28.122 37.057 49 HH21 ARG 6 HH21 ARG 6 26.520 27.724 34.667 50 HH22 ARG 6 HH22 ARG 6 25.893 27.162 36.190 51 H ARG 7 H ARG 7 26.035 30.065 29.029 52 HA ARG 7 HA ARG 7 28.215 31.936 29.701 53 HB2 ARG 7 HB2 ARG 7 28.106 29.612 27.708 54 HB3 ARG 7 HB3 ARG 7 29.558 30.459 28.214 55 HG2 ARG 7 HG2 ARG 7 27.774 28.719 29.969 56 HG3 ARG 7 HG3 ARG 7 29.365 28.301 29.344 57 HD2 ARG 7 HD2 ARG 7 28.764 30.538 31.321 58 HD3 ARG 7 HD3 ARG 7 29.437 28.956 31.714 59 HE ARG 7 HE ARG 7 31.277 29.787 29.932 60 HH11 ARG 7 HH11 ARG 7 29.980 31.643 32.655 61 HH12 ARG 7 HH12 ARG 7 31.550 32.360 32.941 62 HH21 ARG 7 HH21 ARG 7 33.120 30.724 30.386 63 HH22 ARG 7 HH22 ARG 7 33.318 31.597 31.898 64 H CYS 8 H CYS 8 26.228 31.210 26.867 65 HA CYS 8 HA CYS 8 27.685 32.866 25.046 66 HB2 CYS 8 HB2 CYS 8 24.744 32.205 24.851 67 HB3 CYS 8 HB3 CYS 8 25.899 32.499 23.553 68 H GLU 9 H GLU 9 24.731 33.542 27.024 69 HA GLU 9 HA GLU 9 24.333 36.210 26.065 70 HB2 GLU 9 HB2 GLU 9 23.505 34.710 28.566 71 HB3 GLU 9 HB3 GLU 9 23.082 36.411 28.326 72 HG2 GLU 9 HG2 GLU 9 22.013 35.861 26.157 73 HG3 GLU 9 HG3 GLU 9 22.363 34.156 26.413 74 H LEU 10 H LEU 10 26.452 35.029 28.686 75 HA LEU 10 HA LEU 10 27.234 37.631 29.692 76 HB2 LEU 10 HB2 LEU 10 27.564 35.902 31.207 77 HB3 LEU 10 HB3 LEU 10 27.938 34.728 29.958 78 HG LEU 10 HG LEU 10 30.153 35.742 29.639 79 HD11 LEU 10 HD11 LEU 10 31.125 37.160 31.386 80 HD12 LEU 10 HD12 LEU 10 29.701 37.996 30.748 81 HD13 LEU 10 HD13 LEU 10 29.608 37.142 32.301 82 HD21 LEU 10 HD21 LEU 10 31.129 34.697 31.632 83 HD22 LEU 10 HD22 LEU 10 29.533 34.685 32.416 84 HD23 LEU 10 HD23 LEU 10 29.819 33.722 30.951 85 H SER 11 H SER 11 28.345 35.427 27.126 86 HA SER 11 HA SER 11 30.702 36.933 26.401 87 HB2 SER 11 HB2 SER 11 29.079 35.055 24.641 88 HB3 SER 11 HB3 SER 11 30.743 35.590 24.406 89 HG SER 11 HG SER 11 29.744 34.009 26.579 90 H CYS 12 H CYS 12 27.299 36.987 25.158 91 HA CYS 12 HA CYS 12 27.869 39.102 23.273 92 HB2 CYS 12 HB2 CYS 12 25.131 38.535 24.412 93 HB3 CYS 12 HB3 CYS 12 25.572 39.200 22.826 94 H ARG 13 H ARG 13 26.650 39.192 26.691 95 HA ARG 13 HA ARG 13 26.389 41.985 27.002 96 HB2 ARG 13 HB2 ARG 13 25.919 40.108 28.689 97 HB3 ARG 13 HB3 ARG 13 27.654 40.071 29.008 98 HG2 ARG 13 HG2 ARG 13 27.315 42.667 29.485 99 HG3 ARG 13 HG3 ARG 13 25.621 42.207 29.665 100 HD2 ARG 13 HD2 ARG 13 28.025 41.157 31.217 101 HD3 ARG 13 HD3 ARG 13 26.744 42.212 31.823 102 HE ARG 13 HE ARG 13 25.183 40.192 31.308 103 HH11 ARG 13 HH11 ARG 13 28.450 39.816 32.743 104 HH12 ARG 13 HH12 ARG 13 27.904 38.315 33.488 105 HH21 ARG 13 HH21 ARG 13 24.731 38.433 32.422 106 HH22 ARG 13 HH22 ARG 13 26.007 37.557 33.300 107 H SER 14 H SER 14 29.312 39.997 27.051 108 HA SER 14 HA SER 14 31.172 42.176 27.525 109 HB2 SER 14 HB2 SER 14 31.782 39.398 26.463 110 HB3 SER 14 HB3 SER 14 32.892 40.534 27.246 111 HG SER 14 HG SER 14 30.693 39.122 28.390 112 H LEU 15 H LEU 15 29.403 41.622 24.807 113 HA LEU 15 HA LEU 15 31.352 43.095 23.090 114 HB2 LEU 15 HB2 LEU 15 29.352 40.924 22.397 115 HB3 LEU 15 HB3 LEU 15 30.036 41.982 21.164 116 HG LEU 15 HG LEU 15 31.753 40.270 22.988 117 HD11 LEU 15 HD11 LEU 15 30.226 38.803 21.753 118 HD12 LEU 15 HD12 LEU 15 30.658 39.606 20.221 119 HD13 LEU 15 HD13 LEU 15 31.871 38.662 21.117 120 HD21 LEU 15 HD21 LEU 15 33.415 40.550 21.175 121 HD22 LEU 15 HD22 LEU 15 32.268 41.541 20.253 122 HD23 LEU 15 HD23 LEU 15 32.917 42.129 21.798 123 H GLY 16 H GLY 16 28.704 43.526 24.937 124 HA2 GLY 16 HA2 GLY 16 27.382 45.391 25.169 125 HA3 GLY 16 HA3 GLY 16 27.967 46.014 23.628 126 H LEU 17 H LEU 17 26.449 42.804 23.657 127 HA LEU 17 HA LEU 17 23.858 43.922 22.795 128 HB2 LEU 17 HB2 LEU 17 23.786 42.902 20.699 129 HB3 LEU 17 HB3 LEU 17 25.258 43.846 20.746 130 HG LEU 17 HG LEU 17 25.088 40.827 21.099 131 HD11 LEU 17 HD11 LEU 17 25.813 42.487 18.641 132 HD12 LEU 17 HD12 LEU 17 25.930 40.720 18.753 133 HD13 LEU 17 HD13 LEU 17 24.353 41.507 18.840 134 HD21 LEU 17 HD21 LEU 17 27.159 41.664 22.023 135 HD22 LEU 17 HD22 LEU 17 27.517 40.886 20.486 136 HD23 LEU 17 HD23 LEU 17 27.453 42.672 20.595 137 H LEU 18 H LEU 18 22.368 41.921 22.096 138 HA LEU 18 HA LEU 18 22.132 40.366 24.620 139 HB2 LEU 18 HB2 LEU 18 20.247 40.869 22.290 140 HB3 LEU 18 HB3 LEU 18 19.819 39.956 23.732 141 HG LEU 18 HG LEU 18 20.602 42.910 23.731 142 HD11 LEU 18 HD11 LEU 18 18.205 43.328 24.062 143 HD12 LEU 18 HD12 LEU 18 18.506 42.524 22.512 144 HD13 LEU 18 HD13 LEU 18 17.868 41.589 23.883 145 HD21 LEU 18 HD21 LEU 18 19.367 41.134 25.889 146 HD22 LEU 18 HD22 LEU 18 21.003 41.827 25.915 147 HD23 LEU 18 HD23 LEU 18 19.601 42.892 26.004 148 H GLY 19 H GLY 19 21.061 38.055 24.207 149 HA2 GLY 19 HA2 GLY 19 21.955 36.746 21.742 150 HA3 GLY 19 HA3 GLY 19 22.787 36.184 23.191 151 H LYS 20 H LYS 20 21.218 34.625 21.391 152 HA LYS 20 HA LYS 20 19.004 33.635 23.142 153 HB2 LYS 20 HB2 LYS 20 18.726 34.192 20.161 154 HB3 LYS 20 HB3 LYS 20 17.523 33.426 21.201 155 HG2 LYS 20 HG2 LYS 20 17.386 35.556 22.543 156 HG3 LYS 20 HG3 LYS 20 18.478 36.316 21.367 157 HD2 LYS 20 HD2 LYS 20 16.866 35.733 19.547 158 HD3 LYS 20 HD3 LYS 20 15.746 35.101 20.767 159 HE2 LYS 20 HE2 LYS 20 15.670 37.368 21.835 160 HE3 LYS 20 HE3 LYS 20 16.765 37.971 20.584 161 HZ1 LYS 20 HZ1 LYS 20 13.984 37.055 20.262 162 HZ2 LYS 20 HZ2 LYS 20 14.646 38.501 19.808 163 HZ3 LYS 20 HZ3 LYS 20 14.996 37.160 18.957 164 H CYS 21 H CYS 21 18.593 31.462 23.024 165 HA CYS 21 HA CYS 21 20.458 29.703 21.580 166 HB2 CYS 21 HB2 CYS 21 19.827 29.105 23.796 167 HB3 CYS 21 HB3 CYS 21 18.116 29.197 23.406 168 H ILE 22 H ILE 22 20.138 28.624 19.768 169 HA ILE 22 HA ILE 22 17.520 28.708 18.336 170 HB ILE 22 HB ILE 22 20.210 28.866 16.994 171 HG12 ILE 22 HG12 ILE 22 18.353 31.140 17.819 172 HG13 ILE 22 HG13 ILE 22 20.049 30.915 18.258 173 HG21 ILE 22 HG21 ILE 22 17.397 29.491 15.962 174 HG22 ILE 22 HG22 ILE 22 18.889 29.407 15.000 175 HG23 ILE 22 HG23 ILE 22 18.224 27.944 15.699 176 HD11 ILE 22 HD11 ILE 22 20.650 31.195 15.825 177 HD12 ILE 22 HD12 ILE 22 18.959 31.683 15.544 178 HD13 ILE 22 HD13 ILE 22 19.981 32.638 16.630 179 H GLY 23 H GLY 23 17.480 26.845 19.720 180 HA2 GLY 23 HA2 GLY 23 17.028 24.581 19.849 181 HA3 GLY 23 HA3 GLY 23 17.556 24.438 18.179 182 H GLU 24 H GLU 24 19.995 24.536 17.907 183 HA GLU 24 HA GLU 24 21.173 22.472 19.724 184 HB2 GLU 24 HB2 GLU 24 22.072 23.306 16.938 185 HB3 GLU 24 HB3 GLU 24 22.600 21.910 17.867 186 HG2 GLU 24 HG2 GLU 24 21.108 20.994 16.326 187 HG3 GLU 24 HG3 GLU 24 20.166 21.084 17.810 188 H GLU 25 H GLU 25 21.528 25.781 18.937 189 HA GLU 25 HA GLU 25 24.189 26.056 20.219 190 HB2 GLU 25 HB2 GLU 25 23.522 26.384 17.315 191 HB3 GLU 25 HB3 GLU 25 24.459 27.696 17.989 192 HG2 GLU 25 HG2 GLU 25 25.254 24.788 18.267 193 HG3 GLU 25 HG3 GLU 25 25.786 25.832 16.963 194 H CYS 26 H CYS 26 24.829 28.487 20.141 195 HA CYS 26 HA CYS 26 22.460 30.210 20.712 196 HB2 CYS 26 HB2 CYS 26 23.710 31.121 22.585 197 HB3 CYS 26 HB3 CYS 26 23.461 29.382 22.796 198 H LYS 27 H LYS 27 22.572 32.320 20.006 199 HA LYS 27 HA LYS 27 25.121 33.312 18.809 200 HB2 LYS 27 HB2 LYS 27 22.445 33.648 17.411 201 HB3 LYS 27 HB3 LYS 27 24.032 34.183 16.867 202 HG2 LYS 27 HG2 LYS 27 24.594 31.573 16.926 203 HG3 LYS 27 HG3 LYS 27 22.844 31.409 16.897 204 HD2 LYS 27 HD2 LYS 27 23.439 31.341 14.616 205 HD3 LYS 27 HD3 LYS 27 22.911 33.009 14.845 206 HE2 LYS 27 HE2 LYS 27 24.924 33.253 13.632 207 HE3 LYS 27 HE3 LYS 27 25.426 33.532 15.302 208 HZ1 LYS 27 HZ1 LYS 27 25.910 31.168 13.613 209 HZ2 LYS 27 HZ2 LYS 27 26.982 31.990 14.546 210 HZ3 LYS 27 HZ3 LYS 27 25.885 30.970 15.229 211 H CYS 28 H CYS 28 25.404 35.556 18.801 212 HA CYS 28 HA CYS 28 23.719 37.037 20.691 213 HB2 CYS 28 HB2 CYS 28 26.013 38.198 19.118 214 HB3 CYS 28 HB3 CYS 28 25.218 38.835 20.526 215 H VAL 29 H VAL 29 22.680 39.056 20.190 216 HA VAL 29 HA VAL 29 21.902 39.566 17.396 217 HB VAL 29 HB VAL 29 19.496 39.705 17.988 218 HG11 VAL 29 HG11 VAL 29 20.627 36.908 18.365 219 HG12 VAL 29 HG12 VAL 29 18.998 37.347 17.819 220 HG13 VAL 29 HG13 VAL 29 20.390 37.745 16.812 221 HG21 VAL 29 HG21 VAL 29 18.621 38.494 19.929 222 HG22 VAL 29 HG22 VAL 29 20.266 38.230 20.542 223 HG23 VAL 29 HG23 VAL 29 19.594 39.872 20.420 224 HA PRO 30 HA PRO 30 22.450 43.692 18.531 225 HB2 PRO 30 HB2 PRO 30 19.906 44.391 17.047 226 HB3 PRO 30 HB3 PRO 30 21.521 45.164 16.947 227 HG2 PRO 30 HG2 PRO 30 20.787 43.400 15.044 228 HG3 PRO 30 HG3 PRO 30 22.423 43.269 15.764 229 HD2 PRO 30 HD2 PRO 30 19.937 41.678 16.455 230 HD3 PRO 30 HD3 PRO 30 21.602 41.115 16.132 231 H ALA 31 H ALA 31 21.990 45.309 19.972 232 HA ALA 31 HA ALA 31 19.944 44.908 22.024 233 HB1 ALA 31 HB1 ALA 31 22.258 45.660 22.541 234 HB2 ALA 31 HB2 ALA 31 21.987 47.138 21.589 235 HB3 ALA 31 HB3 ALA 31 21.049 46.845 23.066 Start of MODEL 11 1 H1 ALA 1 H1 ALA 1 19.767 20.075 28.035 2 H2 ALA 1 H2 ALA 1 18.639 21.051 28.728 3 H3 ALA 1 H3 ALA 1 20.243 21.225 29.090 4 HA ALA 1 HA ALA 1 19.176 21.557 26.378 5 HB1 ALA 1 HB1 ALA 1 18.096 23.277 27.746 6 HB2 ALA 1 HB2 ALA 1 19.666 23.757 28.434 7 HB3 ALA 1 HB3 ALA 1 19.327 24.015 26.710 8 H PHE 2 H PHE 2 20.762 21.624 24.877 9 HA PHE 2 HA PHE 2 23.571 21.918 25.747 10 HB2 PHE 2 HB2 PHE 2 22.489 21.464 22.963 11 HB3 PHE 2 HB3 PHE 2 24.161 21.305 23.473 12 HD1 PHE 2 HD1 PHE 2 21.196 19.507 22.785 13 HD2 PHE 2 HD2 PHE 2 24.538 19.578 25.520 14 HE1 PHE 2 HE1 PHE 2 20.798 17.129 23.329 15 HE2 PHE 2 HE2 PHE 2 24.117 17.189 26.075 16 HZ PHE 2 HZ PHE 2 22.278 15.961 24.963 17 H CYS 3 H CYS 3 21.124 23.841 24.707 18 HA CYS 3 HA CYS 3 22.659 26.100 23.660 19 HB2 CYS 3 HB2 CYS 3 19.845 25.650 24.710 20 HB3 CYS 3 HB3 CYS 3 20.460 27.286 24.573 21 H ASN 4 H ASN 4 24.322 26.651 24.947 22 HA ASN 4 HA ASN 4 24.189 26.646 27.851 23 HB2 ASN 4 HB2 ASN 4 26.416 27.530 25.963 24 HB3 ASN 4 HB3 ASN 4 26.569 27.228 27.695 25 HD21 ASN 4 HD21 ASN 4 26.137 23.607 27.218 26 HD22 ASN 4 HD22 ASN 4 25.709 24.885 28.349 27 H LEU 5 H LEU 5 22.261 28.196 27.096 28 HA LEU 5 HA LEU 5 22.533 30.803 26.281 29 HB2 LEU 5 HB2 LEU 5 20.477 29.131 27.008 30 HB3 LEU 5 HB3 LEU 5 20.398 30.299 28.311 31 HG LEU 5 HG LEU 5 20.216 30.876 25.317 32 HD11 LEU 5 HD11 LEU 5 18.236 29.766 26.277 33 HD12 LEU 5 HD12 LEU 5 18.148 30.992 27.557 34 HD13 LEU 5 HD13 LEU 5 17.868 31.444 25.866 35 HD21 LEU 5 HD21 LEU 5 19.487 33.165 26.019 36 HD22 LEU 5 HD22 LEU 5 19.995 32.785 27.674 37 HD23 LEU 5 HD23 LEU 5 21.187 32.835 26.348 38 H ARG 6 H ARG 6 22.804 29.699 29.692 39 HA ARG 6 HA ARG 6 22.866 32.304 30.830 40 HB2 ARG 6 HB2 ARG 6 22.440 30.121 32.024 41 HB3 ARG 6 HB3 ARG 6 24.152 29.756 31.894 42 HG2 ARG 6 HG2 ARG 6 23.717 30.532 34.095 43 HG3 ARG 6 HG3 ARG 6 24.665 31.781 33.298 44 HD2 ARG 6 HD2 ARG 6 21.622 31.871 33.519 45 HD3 ARG 6 HD3 ARG 6 22.689 32.512 34.768 46 HE ARG 6 HE ARG 6 23.580 33.717 32.420 47 HH11 ARG 6 HH11 ARG 6 20.541 33.729 34.190 48 HH12 ARG 6 HH12 ARG 6 20.157 35.356 33.714 49 HH21 ARG 6 HH21 ARG 6 23.073 35.798 31.948 50 HH22 ARG 6 HH22 ARG 6 21.459 36.414 32.214 51 H ARG 7 H ARG 7 25.511 30.340 29.498 52 HA ARG 7 HA ARG 7 27.543 32.435 30.048 53 HB2 ARG 7 HB2 ARG 7 27.638 29.712 28.693 54 HB3 ARG 7 HB3 ARG 7 29.017 30.829 28.709 55 HG2 ARG 7 HG2 ARG 7 29.065 30.857 31.147 56 HG3 ARG 7 HG3 ARG 7 27.604 29.875 31.232 57 HD2 ARG 7 HD2 ARG 7 28.833 28.026 30.042 58 HD3 ARG 7 HD3 ARG 7 30.322 28.994 30.177 59 HE ARG 7 HE ARG 7 29.212 28.917 32.746 60 HH11 ARG 7 HH11 ARG 7 30.424 26.343 30.611 61 HH12 ARG 7 HH12 ARG 7 30.297 25.197 31.949 62 HH21 ARG 7 HH21 ARG 7 29.600 27.464 34.339 63 HH22 ARG 7 HH22 ARG 7 29.942 25.786 33.884 64 H CYS 8 H CYS 8 25.627 31.321 27.253 65 HA CYS 8 HA CYS 8 27.004 32.957 25.335 66 HB2 CYS 8 HB2 CYS 8 24.155 31.904 25.313 67 HB3 CYS 8 HB3 CYS 8 25.012 32.619 23.937 68 H GLU 9 H GLU 9 24.190 33.727 27.475 69 HA GLU 9 HA GLU 9 23.674 36.374 26.564 70 HB2 GLU 9 HB2 GLU 9 23.524 34.966 29.236 71 HB3 GLU 9 HB3 GLU 9 23.220 36.693 29.163 72 HG2 GLU 9 HG2 GLU 9 21.731 34.864 27.268 73 HG3 GLU 9 HG3 GLU 9 21.245 34.970 28.962 74 H LEU 10 H LEU 10 26.364 35.159 28.542 75 HA LEU 10 HA LEU 10 27.335 37.808 29.275 76 HB2 LEU 10 HB2 LEU 10 27.480 36.254 30.973 77 HB3 LEU 10 HB3 LEU 10 27.834 34.929 29.908 78 HG LEU 10 HG LEU 10 30.102 35.782 29.532 79 HD11 LEU 10 HD11 LEU 10 29.773 38.175 30.236 80 HD12 LEU 10 HD12 LEU 10 29.428 37.642 31.896 81 HD13 LEU 10 HD13 LEU 10 31.036 37.401 31.183 82 HD21 LEU 10 HD21 LEU 10 29.279 35.183 32.417 83 HD22 LEU 10 HD22 LEU 10 29.605 33.995 31.141 84 HD23 LEU 10 HD23 LEU 10 30.913 35.007 31.749 85 H SER 11 H SER 11 28.243 35.199 26.916 86 HA SER 11 HA SER 11 30.658 36.504 26.042 87 HB2 SER 11 HB2 SER 11 30.616 35.036 24.149 88 HB3 SER 11 HB3 SER 11 30.118 34.112 25.567 89 HG SER 11 HG SER 11 28.698 34.813 23.295 90 H CYS 12 H CYS 12 27.278 36.654 24.854 91 HA CYS 12 HA CYS 12 27.815 38.617 22.815 92 HB2 CYS 12 HB2 CYS 12 25.215 38.143 24.315 93 HB3 CYS 12 HB3 CYS 12 25.413 38.935 22.739 94 H ARG 13 H ARG 13 26.751 39.005 26.275 95 HA ARG 13 HA ARG 13 26.691 41.836 26.270 96 HB2 ARG 13 HB2 ARG 13 25.775 40.348 27.985 97 HB3 ARG 13 HB3 ARG 13 27.402 39.932 28.535 98 HG2 ARG 13 HG2 ARG 13 27.753 42.279 29.247 99 HG3 ARG 13 HG3 ARG 13 26.147 42.717 28.636 100 HD2 ARG 13 HD2 ARG 13 26.672 40.610 30.783 101 HD3 ARG 13 HD3 ARG 13 26.248 42.270 31.137 102 HE ARG 13 HE ARG 13 24.519 40.227 29.795 103 HH11 ARG 13 HH11 ARG 13 24.538 43.321 31.561 104 HH12 ARG 13 HH12 ARG 13 22.771 43.280 31.598 105 HH21 ARG 13 HH21 ARG 13 22.432 40.503 29.700 106 HH22 ARG 13 HH22 ARG 13 21.637 41.772 30.657 107 H SER 14 H SER 14 29.471 39.676 26.635 108 HA SER 14 HA SER 14 31.421 41.718 27.228 109 HB2 SER 14 HB2 SER 14 31.847 39.361 27.668 110 HB3 SER 14 HB3 SER 14 31.691 38.976 25.949 111 HG SER 14 HG SER 14 33.735 40.449 27.268 112 H LEU 15 H LEU 15 29.952 40.705 24.132 113 HA LEU 15 HA LEU 15 31.830 42.354 22.550 114 HB2 LEU 15 HB2 LEU 15 29.188 41.046 21.797 115 HB3 LEU 15 HB3 LEU 15 30.269 41.871 20.689 116 HG LEU 15 HG LEU 15 31.013 39.373 22.259 117 HD11 LEU 15 HD11 LEU 15 29.199 38.914 20.659 118 HD12 LEU 15 HD12 LEU 15 30.152 39.658 19.355 119 HD13 LEU 15 HD13 LEU 15 30.717 38.167 20.143 120 HD21 LEU 15 HD21 LEU 15 32.860 39.201 20.615 121 HD22 LEU 15 HD22 LEU 15 32.385 40.766 19.919 122 HD23 LEU 15 HD23 LEU 15 32.989 40.666 21.590 123 H GLY 16 H GLY 16 28.459 42.531 23.664 124 HA2 GLY 16 HA2 GLY 16 28.077 44.952 24.603 125 HA3 GLY 16 HA3 GLY 16 28.254 45.409 22.907 126 H LEU 17 H LEU 17 26.558 42.360 23.474 127 HA LEU 17 HA LEU 17 23.912 43.643 23.339 128 HB2 LEU 17 HB2 LEU 17 23.284 42.744 21.272 129 HB3 LEU 17 HB3 LEU 17 24.761 43.640 21.015 130 HG LEU 17 HG LEU 17 24.489 40.628 21.193 131 HD11 LEU 17 HD11 LEU 17 24.816 40.668 18.730 132 HD12 LEU 17 HD12 LEU 17 23.388 41.602 19.182 133 HD13 LEU 17 HD13 LEU 17 24.894 42.439 18.769 134 HD21 LEU 17 HD21 LEU 17 26.763 41.186 21.732 135 HD22 LEU 17 HD22 LEU 17 26.752 40.600 20.074 136 HD23 LEU 17 HD23 LEU 17 26.861 42.346 20.389 137 H LEU 18 H LEU 18 22.220 41.558 22.810 138 HA LEU 18 HA LEU 18 22.601 39.981 25.304 139 HB2 LEU 18 HB2 LEU 18 20.152 40.400 23.560 140 HB3 LEU 18 HB3 LEU 18 20.184 39.505 25.077 141 HG LEU 18 HG LEU 18 20.772 42.476 24.779 142 HD11 LEU 18 HD11 LEU 18 18.618 42.825 25.875 143 HD12 LEU 18 HD12 LEU 18 18.431 41.951 24.345 144 HD13 LEU 18 HD13 LEU 18 18.324 41.072 25.887 145 HD21 LEU 18 HD21 LEU 18 21.960 41.583 26.722 146 HD22 LEU 18 HD22 LEU 18 20.570 42.531 27.258 147 HD23 LEU 18 HD23 LEU 18 20.491 40.753 27.274 148 H GLY 19 H GLY 19 21.924 37.719 25.376 149 HA2 GLY 19 HA2 GLY 19 22.796 36.233 22.909 150 HA3 GLY 19 HA3 GLY 19 23.058 35.685 24.554 151 H LYS 20 H LYS 20 21.570 34.695 22.046 152 HA LYS 20 HA LYS 20 19.412 33.321 23.527 153 HB2 LYS 20 HB2 LYS 20 19.048 34.822 20.899 154 HB3 LYS 20 HB3 LYS 20 17.956 33.535 21.454 155 HG2 LYS 20 HG2 LYS 20 17.460 34.866 23.509 156 HG3 LYS 20 HG3 LYS 20 18.456 36.172 22.855 157 HD2 LYS 20 HD2 LYS 20 16.998 36.250 20.813 158 HD3 LYS 20 HD3 LYS 20 15.941 35.033 21.579 159 HE2 LYS 20 HE2 LYS 20 15.447 36.527 23.436 160 HE3 LYS 20 HE3 LYS 20 16.651 37.690 22.882 161 HZ1 LYS 20 HZ1 LYS 20 14.178 37.006 21.374 162 HZ2 LYS 20 HZ2 LYS 20 14.393 38.333 22.304 163 HZ3 LYS 20 HZ3 LYS 20 15.283 38.151 20.941 164 H CYS 21 H CYS 21 18.629 31.390 22.079 165 HA CYS 21 HA CYS 21 20.813 30.320 20.379 166 HB2 CYS 21 HB2 CYS 21 21.547 29.913 22.658 167 HB3 CYS 21 HB3 CYS 21 20.029 29.122 23.057 168 H ILE 22 H ILE 22 20.311 28.770 18.977 169 HA ILE 22 HA ILE 22 17.435 27.966 18.722 170 HB ILE 22 HB ILE 22 19.449 28.621 16.565 171 HG12 ILE 22 HG12 ILE 22 18.689 30.688 17.630 172 HG13 ILE 22 HG13 ILE 22 18.090 30.547 15.995 173 HG21 ILE 22 HG21 ILE 22 17.498 28.427 15.008 174 HG22 ILE 22 HG22 ILE 22 17.986 26.895 15.737 175 HG23 ILE 22 HG23 ILE 22 16.551 27.736 16.346 176 HD11 ILE 22 HD11 ILE 22 16.459 30.047 18.526 177 HD12 ILE 22 HD12 ILE 22 16.363 31.453 17.449 178 HD13 ILE 22 HD13 ILE 22 15.845 29.875 16.862 179 H GLY 23 H GLY 23 17.137 25.937 18.987 180 HA2 GLY 23 HA2 GLY 23 17.310 23.639 19.007 181 HA3 GLY 23 HA3 GLY 23 18.570 23.762 17.774 182 H GLU 24 H GLU 24 20.708 23.968 18.394 183 HA GLU 24 HA GLU 24 21.452 23.746 21.274 184 HB2 GLU 24 HB2 GLU 24 22.747 22.180 18.997 185 HB3 GLU 24 HB3 GLU 24 23.240 22.200 20.678 186 HG2 GLU 24 HG2 GLU 24 22.103 20.263 20.688 187 HG3 GLU 24 HG3 GLU 24 20.823 21.351 21.211 188 H GLU 25 H GLU 25 21.533 25.852 18.783 189 HA GLU 25 HA GLU 25 24.464 26.486 18.962 190 HB2 GLU 25 HB2 GLU 25 22.704 27.267 16.662 191 HB3 GLU 25 HB3 GLU 25 24.440 27.143 16.728 192 HG2 GLU 25 HG2 GLU 25 22.414 24.882 16.642 193 HG3 GLU 25 HG3 GLU 25 23.502 25.400 15.328 194 H CYS 26 H CYS 26 24.956 28.323 20.069 195 HA CYS 26 HA CYS 26 22.963 30.325 20.703 196 HB2 CYS 26 HB2 CYS 26 25.938 30.116 21.217 197 HB3 CYS 26 HB3 CYS 26 24.990 31.520 21.675 198 H LYS 27 H LYS 27 22.643 32.355 19.931 199 HA LYS 27 HA LYS 27 24.516 33.615 18.035 200 HB2 LYS 27 HB2 LYS 27 21.611 33.044 17.296 201 HB3 LYS 27 HB3 LYS 27 22.697 34.123 16.417 202 HG2 LYS 27 HG2 LYS 27 24.246 32.175 16.021 203 HG3 LYS 27 HG3 LYS 27 22.986 31.137 16.735 204 HD2 LYS 27 HD2 LYS 27 21.350 32.033 15.016 205 HD3 LYS 27 HD3 LYS 27 22.739 32.815 14.228 206 HE2 LYS 27 HE2 LYS 27 22.374 29.830 14.754 207 HE3 LYS 27 HE3 LYS 27 22.173 30.650 13.195 208 HZ1 LYS 27 HZ1 LYS 27 24.589 31.329 13.472 209 HZ2 LYS 27 HZ2 LYS 27 24.694 30.202 14.675 210 HZ3 LYS 27 HZ3 LYS 27 24.304 29.756 13.137 211 H CYS 28 H CYS 28 24.723 35.715 18.488 212 HA CYS 28 HA CYS 28 23.157 36.826 20.656 213 HB2 CYS 28 HB2 CYS 28 25.229 38.270 18.992 214 HB3 CYS 28 HB3 CYS 28 24.630 38.691 20.581 215 H VAL 29 H VAL 29 21.944 38.707 20.739 216 HA VAL 29 HA VAL 29 20.730 39.708 18.206 217 HB VAL 29 HB VAL 29 18.525 39.622 19.210 218 HG11 VAL 29 HG11 VAL 29 19.785 36.863 19.382 219 HG12 VAL 29 HG12 VAL 29 18.099 37.277 19.000 220 HG13 VAL 29 HG13 VAL 29 19.390 37.692 17.861 221 HG21 VAL 29 HG21 VAL 29 19.776 38.135 21.553 222 HG22 VAL 29 HG22 VAL 29 19.077 39.772 21.602 223 HG23 VAL 29 HG23 VAL 29 18.041 38.393 21.255 224 HA PRO 30 HA PRO 30 21.732 43.586 19.767 225 HB2 PRO 30 HB2 PRO 30 19.779 45.301 18.866 226 HB3 PRO 30 HB3 PRO 30 21.013 44.534 17.826 227 HG2 PRO 30 HG2 PRO 30 18.170 43.602 18.338 228 HG3 PRO 30 HG3 PRO 30 18.998 43.788 16.760 229 HD2 PRO 30 HD2 PRO 30 18.810 41.388 17.969 230 HD3 PRO 30 HD3 PRO 30 20.324 41.854 17.136 231 H ALA 31 H ALA 31 21.532 45.003 21.448 232 HA ALA 31 HA ALA 31 19.451 44.431 23.497 233 HB1 ALA 31 HB1 ALA 31 22.089 45.960 23.689 234 HB2 ALA 31 HB2 ALA 31 20.996 45.572 25.033 235 HB3 ALA 31 HB3 ALA 31 21.842 44.279 24.163 Start of MODEL 12 1 H1 ALA 1 H1 ALA 1 17.625 19.925 19.292 2 H2 ALA 1 H2 ALA 1 17.355 21.424 19.906 3 H3 ALA 1 H3 ALA 1 17.085 20.090 20.835 4 HA ALA 1 HA ALA 1 19.356 19.532 20.911 5 HB1 ALA 1 HB1 ALA 1 21.053 21.066 19.886 6 HB2 ALA 1 HB2 ALA 1 20.052 20.213 18.698 7 HB3 ALA 1 HB3 ALA 1 19.725 21.924 19.072 8 H PHE 2 H PHE 2 20.641 20.221 22.593 9 HA PHE 2 HA PHE 2 19.496 22.372 24.272 10 HB2 PHE 2 HB2 PHE 2 21.707 20.383 24.873 11 HB3 PHE 2 HB3 PHE 2 20.921 21.451 26.028 12 HD1 PHE 2 HD1 PHE 2 20.984 18.160 24.854 13 HD2 PHE 2 HD2 PHE 2 18.208 21.232 26.052 14 HE1 PHE 2 HE1 PHE 2 19.304 16.424 25.411 15 HE2 PHE 2 HE2 PHE 2 16.533 19.496 26.616 16 HZ PHE 2 HZ PHE 2 17.082 17.083 26.322 17 H CYS 3 H CYS 3 20.686 24.006 25.244 18 HA CYS 3 HA CYS 3 23.439 24.645 24.437 19 HB2 CYS 3 HB2 CYS 3 22.210 25.452 22.564 20 HB3 CYS 3 HB3 CYS 3 20.975 26.156 23.573 21 H ASN 4 H ASN 4 24.162 26.710 25.578 22 HA ASN 4 HA ASN 4 23.234 26.553 28.410 23 HB2 ASN 4 HB2 ASN 4 26.071 27.029 27.439 24 HB3 ASN 4 HB3 ASN 4 25.527 26.712 29.089 25 HD21 ASN 4 HD21 ASN 4 24.918 23.177 28.321 26 HD22 ASN 4 HD22 ASN 4 24.346 24.469 29.367 27 H LEU 5 H LEU 5 21.792 28.203 27.512 28 HA LEU 5 HA LEU 5 22.286 30.631 26.486 29 HB2 LEU 5 HB2 LEU 5 20.096 29.393 27.452 30 HB3 LEU 5 HB3 LEU 5 20.255 30.625 28.691 31 HG LEU 5 HG LEU 5 19.894 31.022 25.685 32 HD11 LEU 5 HD11 LEU 5 18.128 31.696 28.074 33 HD12 LEU 5 HD12 LEU 5 17.737 31.993 26.368 34 HD13 LEU 5 HD13 LEU 5 17.885 30.333 26.966 35 HD21 LEU 5 HD21 LEU 5 20.226 33.134 27.843 36 HD22 LEU 5 HD22 LEU 5 21.246 32.888 26.398 37 HD23 LEU 5 HD23 LEU 5 19.586 33.446 26.219 38 H ARG 6 H ARG 6 22.578 30.105 30.067 39 HA ARG 6 HA ARG 6 23.074 32.865 30.663 40 HB2 ARG 6 HB2 ARG 6 22.350 31.143 32.292 41 HB3 ARG 6 HB3 ARG 6 23.955 30.394 32.212 42 HG2 ARG 6 HG2 ARG 6 24.988 32.408 33.166 43 HG3 ARG 6 HG3 ARG 6 23.463 33.298 33.035 44 HD2 ARG 6 HD2 ARG 6 23.871 32.593 35.338 45 HD3 ARG 6 HD3 ARG 6 22.412 31.834 34.677 46 HE ARG 6 HE ARG 6 24.833 30.205 34.399 47 HH11 ARG 6 HH11 ARG 6 22.416 31.088 36.817 48 HH12 ARG 6 HH12 ARG 6 22.485 29.503 37.567 49 HH21 ARG 6 HH21 ARG 6 24.741 28.196 35.362 50 HH22 ARG 6 HH22 ARG 6 23.982 28.045 36.938 51 H ARG 7 H ARG 7 25.331 30.346 29.645 52 HA ARG 7 HA ARG 7 27.750 31.987 30.040 53 HB2 ARG 7 HB2 ARG 7 27.306 29.498 28.330 54 HB3 ARG 7 HB3 ARG 7 28.858 30.237 28.713 55 HG2 ARG 7 HG2 ARG 7 28.563 29.713 31.112 56 HG3 ARG 7 HG3 ARG 7 26.972 28.999 30.768 57 HD2 ARG 7 HD2 ARG 7 28.035 27.411 29.202 58 HD3 ARG 7 HD3 ARG 7 29.635 28.048 29.628 59 HE ARG 7 HE ARG 7 28.689 27.341 32.075 60 HH11 ARG 7 HH11 ARG 7 28.732 25.469 29.075 61 HH12 ARG 7 HH12 ARG 7 28.635 23.954 29.953 62 HH21 ARG 7 HH21 ARG 7 28.742 25.346 33.080 63 HH22 ARG 7 HH22 ARG 7 28.375 23.938 32.112 64 H CYS 8 H CYS 8 25.519 31.211 27.404 65 HA CYS 8 HA CYS 8 26.827 32.638 25.285 66 HB2 CYS 8 HB2 CYS 8 25.119 30.944 24.917 67 HB3 CYS 8 HB3 CYS 8 23.930 31.900 25.788 68 H GLU 9 H GLU 9 24.329 33.712 27.643 69 HA GLU 9 HA GLU 9 23.984 36.361 26.775 70 HB2 GLU 9 HB2 GLU 9 23.863 35.039 29.500 71 HB3 GLU 9 HB3 GLU 9 23.504 36.746 29.313 72 HG2 GLU 9 HG2 GLU 9 22.083 34.791 27.499 73 HG3 GLU 9 HG3 GLU 9 21.612 34.861 29.200 74 H LEU 10 H LEU 10 26.653 35.095 28.874 75 HA LEU 10 HA LEU 10 27.797 37.728 29.348 76 HB2 LEU 10 HB2 LEU 10 28.230 36.187 31.039 77 HB3 LEU 10 HB3 LEU 10 28.397 34.834 29.926 78 HG LEU 10 HG LEU 10 30.541 35.634 29.184 79 HD11 LEU 10 HD11 LEU 10 31.780 37.370 30.475 80 HD12 LEU 10 HD12 LEU 10 30.358 38.096 29.726 81 HD13 LEU 10 HD13 LEU 10 30.325 37.683 31.446 82 HD21 LEU 10 HD21 LEU 10 30.334 34.041 31.072 83 HD22 LEU 10 HD22 LEU 10 31.797 35.022 31.197 84 HD23 LEU 10 HD23 LEU 10 30.390 35.390 32.222 85 H SER 11 H SER 11 28.374 34.975 27.116 86 HA SER 11 HA SER 11 30.616 36.040 25.777 87 HB2 SER 11 HB2 SER 11 29.697 33.710 25.567 88 HB3 SER 11 HB3 SER 11 28.411 34.360 24.531 89 HG SER 11 HG SER 11 29.906 33.863 23.107 90 H CYS 12 H CYS 12 27.130 36.634 25.094 91 HA CYS 12 HA CYS 12 27.750 38.488 22.920 92 HB2 CYS 12 HB2 CYS 12 25.140 38.001 24.386 93 HB3 CYS 12 HB3 CYS 12 25.352 38.873 22.853 94 H ARG 13 H ARG 13 27.009 38.919 26.418 95 HA ARG 13 HA ARG 13 26.920 41.773 26.422 96 HB2 ARG 13 HB2 ARG 13 26.386 40.110 28.284 97 HB3 ARG 13 HB3 ARG 13 28.125 40.025 28.601 98 HG2 ARG 13 HG2 ARG 13 28.013 42.589 28.919 99 HG3 ARG 13 HG3 ARG 13 26.252 42.425 28.830 100 HD2 ARG 13 HD2 ARG 13 28.163 41.230 30.865 101 HD3 ARG 13 HD3 ARG 13 26.915 42.443 31.157 102 HE ARG 13 HE ARG 13 25.211 40.662 30.632 103 HH11 ARG 13 HH11 ARG 13 28.334 39.572 31.899 104 HH12 ARG 13 HH12 ARG 13 27.556 38.138 32.513 105 HH21 ARG 13 HH21 ARG 13 24.499 38.768 31.247 106 HH22 ARG 13 HH22 ARG 13 25.594 37.506 31.834 107 H SER 14 H SER 14 29.724 39.582 26.284 108 HA SER 14 HA SER 14 31.730 41.621 26.576 109 HB2 SER 14 HB2 SER 14 33.293 40.037 25.929 110 HB3 SER 14 HB3 SER 14 32.037 39.085 26.730 111 HG SER 14 HG SER 14 31.271 38.476 24.655 112 H LEU 15 H LEU 15 29.594 41.056 23.945 113 HA LEU 15 HA LEU 15 31.160 42.820 22.103 114 HB2 LEU 15 HB2 LEU 15 28.740 41.038 21.651 115 HB3 LEU 15 HB3 LEU 15 29.454 42.065 20.421 116 HG LEU 15 HG LEU 15 30.959 39.809 21.808 117 HD11 LEU 15 HD11 LEU 15 30.509 38.480 19.797 118 HD12 LEU 15 HD12 LEU 15 29.009 38.905 20.625 119 HD13 LEU 15 HD13 LEU 15 29.479 39.776 19.149 120 HD21 LEU 15 HD21 LEU 15 32.455 39.978 19.852 121 HD22 LEU 15 HD22 LEU 15 31.487 41.315 19.200 122 HD23 LEU 15 HD23 LEU 15 32.399 41.517 20.714 123 H GLY 16 H GLY 16 28.286 42.677 24.121 124 HA2 GLY 16 HA2 GLY 16 27.523 44.770 25.077 125 HA3 GLY 16 HA3 GLY 16 27.723 45.555 23.515 126 H LEU 17 H LEU 17 26.266 42.558 22.968 127 HA LEU 17 HA LEU 17 23.512 43.697 23.048 128 HB2 LEU 17 HB2 LEU 17 23.023 42.850 20.937 129 HB3 LEU 17 HB3 LEU 17 24.524 43.751 20.766 130 HG LEU 17 HG LEU 17 24.108 40.747 20.836 131 HD11 LEU 17 HD11 LEU 17 24.732 40.832 18.453 132 HD12 LEU 17 HD12 LEU 17 23.334 41.867 18.767 133 HD13 LEU 17 HD13 LEU 17 24.941 42.591 18.559 134 HD21 LEU 17 HD21 LEU 17 26.316 41.097 21.705 135 HD22 LEU 17 HD22 LEU 17 26.507 40.618 20.019 136 HD23 LEU 17 HD23 LEU 17 26.674 42.330 20.463 137 H LEU 18 H LEU 18 21.863 41.765 22.557 138 HA LEU 18 HA LEU 18 21.994 40.242 25.035 139 HB2 LEU 18 HB2 LEU 18 19.984 41.471 24.159 140 HB3 LEU 18 HB3 LEU 18 19.932 40.343 22.814 141 HG LEU 18 HG LEU 18 19.488 38.477 24.454 142 HD11 LEU 18 HD11 LEU 18 19.111 40.794 26.413 143 HD12 LEU 18 HD12 LEU 18 18.744 39.081 26.716 144 HD13 LEU 18 HD13 LEU 18 20.416 39.594 26.491 145 HD21 LEU 18 HD21 LEU 18 17.150 39.116 24.853 146 HD22 LEU 18 HD22 LEU 18 17.533 40.814 24.481 147 HD23 LEU 18 HD23 LEU 18 17.662 39.565 23.221 148 H GLY 19 H GLY 19 21.683 37.923 25.208 149 HA2 GLY 19 HA2 GLY 19 22.835 36.356 22.917 150 HA3 GLY 19 HA3 GLY 19 22.963 35.905 24.610 151 H LYS 20 H LYS 20 21.792 34.635 22.047 152 HA LYS 20 HA LYS 20 19.516 33.372 23.479 153 HB2 LYS 20 HB2 LYS 20 19.456 34.376 20.605 154 HB3 LYS 20 HB3 LYS 20 18.397 33.099 21.207 155 HG2 LYS 20 HG2 LYS 20 17.532 34.680 22.968 156 HG3 LYS 20 HG3 LYS 20 18.503 35.962 22.230 157 HD2 LYS 20 HD2 LYS 20 16.264 36.184 21.405 158 HD3 LYS 20 HD3 LYS 20 17.270 35.598 20.072 159 HE2 LYS 20 HE2 LYS 20 16.454 33.247 20.605 160 HE3 LYS 20 HE3 LYS 20 15.352 33.953 21.791 161 HZ1 LYS 20 HZ1 LYS 20 15.370 34.577 18.882 162 HZ2 LYS 20 HZ2 LYS 20 14.336 33.548 19.601 163 HZ3 LYS 20 HZ3 LYS 20 14.293 35.172 19.975 164 H CYS 21 H CYS 21 19.105 31.250 22.888 165 HA CYS 21 HA CYS 21 21.368 29.742 21.621 166 HB2 CYS 21 HB2 CYS 21 19.265 29.114 23.685 167 HB3 CYS 21 HB3 CYS 21 20.024 27.834 22.754 168 H ILE 22 H ILE 22 20.894 29.824 19.465 169 HA ILE 22 HA ILE 22 18.125 29.508 18.476 170 HB ILE 22 HB ILE 22 20.668 30.005 16.950 171 HG12 ILE 22 HG12 ILE 22 20.362 31.900 18.422 172 HG13 ILE 22 HG13 ILE 22 19.929 32.376 16.791 173 HG21 ILE 22 HG21 ILE 22 17.736 30.235 16.125 174 HG22 ILE 22 HG22 ILE 22 19.095 30.856 15.167 175 HG23 ILE 22 HG23 ILE 22 18.950 29.127 15.461 176 HD11 ILE 22 HD11 ILE 22 18.382 33.342 18.400 177 HD12 ILE 22 HD12 ILE 22 17.511 32.200 17.367 178 HD13 ILE 22 HD13 ILE 22 17.955 31.744 19.030 179 H GLY 23 H GLY 23 18.216 27.497 19.558 180 HA2 GLY 23 HA2 GLY 23 17.828 25.219 19.466 181 HA3 GLY 23 HA3 GLY 23 18.194 25.249 17.736 182 H GLU 24 H GLU 24 20.273 24.892 17.034 183 HA GLU 24 HA GLU 24 21.830 23.046 18.552 184 HB2 GLU 24 HB2 GLU 24 22.246 24.500 15.915 185 HB3 GLU 24 HB3 GLU 24 23.408 23.358 16.573 186 HG2 GLU 24 HG2 GLU 24 22.093 22.133 15.038 187 HG3 GLU 24 HG3 GLU 24 21.650 21.600 16.657 188 H GLU 25 H GLU 25 22.236 26.594 18.302 189 HA GLU 25 HA GLU 25 24.539 26.401 20.117 190 HB2 GLU 25 HB2 GLU 25 26.182 27.337 18.709 191 HB3 GLU 25 HB3 GLU 25 25.525 25.952 17.863 192 HG2 GLU 25 HG2 GLU 25 24.192 27.467 16.419 193 HG3 GLU 25 HG3 GLU 25 24.818 28.874 17.296 194 H CYS 26 H CYS 26 25.571 28.527 20.578 195 HA CYS 26 HA CYS 26 23.592 30.551 21.251 196 HB2 CYS 26 HB2 CYS 26 25.474 30.079 22.716 197 HB3 CYS 26 HB3 CYS 26 26.611 30.399 21.409 198 H LYS 27 H LYS 27 23.045 32.346 20.164 199 HA LYS 27 HA LYS 27 24.963 33.641 18.316 200 HB2 LYS 27 HB2 LYS 27 22.072 33.249 17.466 201 HB3 LYS 27 HB3 LYS 27 23.337 34.099 16.590 202 HG2 LYS 27 HG2 LYS 27 24.583 31.906 16.363 203 HG3 LYS 27 HG3 LYS 27 23.175 31.099 17.092 204 HD2 LYS 27 HD2 LYS 27 21.748 32.076 15.244 205 HD3 LYS 27 HD3 LYS 27 23.232 32.691 14.494 206 HE2 LYS 27 HE2 LYS 27 24.108 30.344 14.386 207 HE3 LYS 27 HE3 LYS 27 22.574 29.764 15.067 208 HZ1 LYS 27 HZ1 LYS 27 22.496 29.597 12.663 209 HZ2 LYS 27 HZ2 LYS 27 21.482 30.845 13.089 210 HZ3 LYS 27 HZ3 LYS 27 22.947 31.152 12.470 211 H CYS 28 H CYS 28 24.931 35.855 18.479 212 HA CYS 28 HA CYS 28 23.271 36.941 20.657 213 HB2 CYS 28 HB2 CYS 28 25.355 38.438 19.073 214 HB3 CYS 28 HB3 CYS 28 24.701 38.809 20.654 215 H VAL 29 H VAL 29 21.989 38.885 20.510 216 HA VAL 29 HA VAL 29 20.942 39.567 17.806 217 HB VAL 29 HB VAL 29 18.639 39.323 18.535 218 HG11 VAL 29 HG11 VAL 29 20.101 36.710 19.053 219 HG12 VAL 29 HG12 VAL 29 18.432 36.936 18.492 220 HG13 VAL 29 HG13 VAL 29 19.774 37.402 17.444 221 HG21 VAL 29 HG21 VAL 29 18.016 38.136 20.596 222 HG22 VAL 29 HG22 VAL 29 19.710 38.169 21.135 223 HG23 VAL 29 HG23 VAL 29 18.791 39.682 20.930 224 HA PRO 30 HA PRO 30 20.911 43.706 19.396 225 HB2 PRO 30 HB2 PRO 30 18.842 44.895 18.026 226 HB3 PRO 30 HB3 PRO 30 20.416 44.479 17.287 227 HG2 PRO 30 HG2 PRO 30 17.839 42.874 17.217 228 HG3 PRO 30 HG3 PRO 30 18.921 43.290 15.851 229 HD2 PRO 30 HD2 PRO 30 19.076 40.889 17.072 230 HD3 PRO 30 HD3 PRO 30 20.559 41.736 16.558 231 H ALA 31 H ALA 31 20.173 44.587 21.237 232 HA ALA 31 HA ALA 31 18.124 43.209 22.745 233 HB1 ALA 31 HB1 ALA 31 20.259 44.036 23.721 234 HB2 ALA 31 HB2 ALA 31 19.733 45.710 23.426 235 HB3 ALA 31 HB3 ALA 31 18.837 44.681 24.559 Start of MODEL 13 1 H1 ALA 1 H1 ALA 1 14.227 24.160 28.794 2 H2 ALA 1 H2 ALA 1 13.651 25.205 27.672 3 H3 ALA 1 H3 ALA 1 14.733 25.726 28.799 4 HA ALA 1 HA ALA 1 15.260 23.793 26.656 5 HB1 ALA 1 HB1 ALA 1 16.459 26.569 27.083 6 HB2 ALA 1 HB2 ALA 1 16.782 25.469 25.730 7 HB3 ALA 1 HB3 ALA 1 15.176 26.186 25.917 8 H PHE 2 H PHE 2 17.502 23.062 26.485 9 HA PHE 2 HA PHE 2 18.942 23.014 29.106 10 HB2 PHE 2 HB2 PHE 2 18.794 20.842 26.987 11 HB3 PHE 2 HB3 PHE 2 19.672 20.737 28.501 12 HD1 PHE 2 HD1 PHE 2 16.931 19.413 27.014 13 HD2 PHE 2 HD2 PHE 2 17.965 21.532 30.630 14 HE1 PHE 2 HE1 PHE 2 14.994 18.384 28.178 15 HE2 PHE 2 HE2 PHE 2 16.029 20.502 31.783 16 HZ PHE 2 HZ PHE 2 14.538 18.928 30.564 17 H CYS 3 H CYS 3 19.182 24.471 26.311 18 HA CYS 3 HA CYS 3 21.893 24.091 25.442 19 HB2 CYS 3 HB2 CYS 3 21.480 26.080 24.128 20 HB3 CYS 3 HB3 CYS 3 20.057 25.040 24.075 21 H ASN 4 H ASN 4 23.552 25.886 25.490 22 HA ASN 4 HA ASN 4 24.162 26.561 28.283 23 HB2 ASN 4 HB2 ASN 4 25.894 26.813 25.808 24 HB3 ASN 4 HB3 ASN 4 26.419 26.858 27.492 25 HD21 ASN 4 HD21 ASN 4 26.035 23.273 27.892 26 HD22 ASN 4 HD22 ASN 4 25.520 24.713 28.743 27 H LEU 5 H LEU 5 22.091 28.056 27.509 28 HA LEU 5 HA LEU 5 22.643 30.487 26.164 29 HB2 LEU 5 HB2 LEU 5 20.503 29.440 26.249 30 HB3 LEU 5 HB3 LEU 5 20.379 29.606 27.984 31 HG LEU 5 HG LEU 5 18.938 31.067 26.581 32 HD11 LEU 5 HD11 LEU 5 19.093 33.011 27.953 33 HD12 LEU 5 HD12 LEU 5 19.391 31.579 28.945 34 HD13 LEU 5 HD13 LEU 5 20.737 32.626 28.457 35 HD21 LEU 5 HD21 LEU 5 20.622 31.606 24.841 36 HD22 LEU 5 HD22 LEU 5 19.782 33.015 25.506 37 HD23 LEU 5 HD23 LEU 5 21.445 32.674 26.000 38 H ARG 6 H ARG 6 22.595 29.855 29.708 39 HA ARG 6 HA ARG 6 22.911 32.453 30.683 40 HB2 ARG 6 HB2 ARG 6 22.648 30.062 31.767 41 HB3 ARG 6 HB3 ARG 6 24.391 30.054 31.845 42 HG2 ARG 6 HG2 ARG 6 22.648 32.244 33.087 43 HG3 ARG 6 HG3 ARG 6 23.002 30.719 33.886 44 HD2 ARG 6 HD2 ARG 6 24.590 32.089 34.802 45 HD3 ARG 6 HD3 ARG 6 25.489 31.238 33.534 46 HE ARG 6 HE ARG 6 24.448 33.630 32.415 47 HH11 ARG 6 HH11 ARG 6 26.922 32.652 34.725 48 HH12 ARG 6 HH12 ARG 6 27.712 34.218 34.685 49 HH21 ARG 6 HH21 ARG 6 25.548 35.565 32.351 50 HH22 ARG 6 HH22 ARG 6 27.043 35.759 33.240 51 H ARG 7 H ARG 7 25.481 30.243 29.526 52 HA ARG 7 HA ARG 7 27.662 32.093 29.750 53 HB2 ARG 7 HB2 ARG 7 27.701 29.548 29.691 54 HB3 ARG 7 HB3 ARG 7 27.309 29.642 27.970 55 HG2 ARG 7 HG2 ARG 7 29.410 31.067 27.712 56 HG3 ARG 7 HG3 ARG 7 29.752 30.711 29.414 57 HD2 ARG 7 HD2 ARG 7 31.012 29.155 28.036 58 HD3 ARG 7 HD3 ARG 7 29.718 28.269 28.868 59 HE ARG 7 HE ARG 7 28.993 29.226 26.195 60 HH11 ARG 7 HH11 ARG 7 30.779 26.577 27.684 61 HH12 ARG 7 HH12 ARG 7 30.293 25.482 26.388 62 HH21 ARG 7 HH21 ARG 7 28.280 27.671 24.768 63 HH22 ARG 7 HH22 ARG 7 29.083 26.092 24.806 64 H CYS 8 H CYS 8 25.375 31.338 27.108 65 HA CYS 8 HA CYS 8 26.721 32.840 25.057 66 HB2 CYS 8 HB2 CYS 8 24.960 31.179 24.607 67 HB3 CYS 8 HB3 CYS 8 23.778 32.198 25.418 68 H GLU 9 H GLU 9 24.239 33.824 27.473 69 HA GLU 9 HA GLU 9 23.916 36.517 26.491 70 HB2 GLU 9 HB2 GLU 9 23.544 35.326 29.271 71 HB3 GLU 9 HB3 GLU 9 23.070 36.974 28.820 72 HG2 GLU 9 HG2 GLU 9 21.603 36.076 27.039 73 HG3 GLU 9 HG3 GLU 9 21.996 34.438 27.518 74 H LEU 10 H LEU 10 26.297 35.100 28.625 75 HA LEU 10 HA LEU 10 27.642 37.519 29.482 76 HB2 LEU 10 HB2 LEU 10 27.896 35.858 31.007 77 HB3 LEU 10 HB3 LEU 10 27.727 34.570 29.842 78 HG LEU 10 HG LEU 10 30.083 34.926 29.128 79 HD11 LEU 10 HD11 LEU 10 31.599 36.091 30.662 80 HD12 LEU 10 HD12 LEU 10 30.388 37.236 30.080 81 HD13 LEU 10 HD13 LEU 10 30.248 36.559 31.710 82 HD21 LEU 10 HD21 LEU 10 29.556 34.196 32.039 83 HD22 LEU 10 HD22 LEU 10 29.474 33.110 30.632 84 HD23 LEU 10 HD23 LEU 10 31.026 33.791 31.126 85 H SER 11 H SER 11 28.274 34.986 27.012 86 HA SER 11 HA SER 11 30.622 36.073 25.870 87 HB2 SER 11 HB2 SER 11 29.817 33.831 25.364 88 HB3 SER 11 HB3 SER 11 28.355 34.482 24.611 89 HG SER 11 HG SER 11 31.049 34.736 23.719 90 H CYS 12 H CYS 12 27.184 36.683 24.907 91 HA CYS 12 HA CYS 12 27.955 38.584 22.873 92 HB2 CYS 12 HB2 CYS 12 25.245 38.242 24.188 93 HB3 CYS 12 HB3 CYS 12 25.592 39.033 22.636 94 H ARG 13 H ARG 13 27.088 39.013 26.346 95 HA ARG 13 HA ARG 13 27.155 41.867 26.354 96 HB2 ARG 13 HB2 ARG 13 26.291 40.574 28.206 97 HB3 ARG 13 HB3 ARG 13 27.864 39.841 28.512 98 HG2 ARG 13 HG2 ARG 13 28.803 41.941 29.215 99 HG3 ARG 13 HG3 ARG 13 27.384 42.852 28.682 100 HD2 ARG 13 HD2 ARG 13 27.245 40.682 30.800 101 HD3 ARG 13 HD3 ARG 13 27.647 42.372 31.175 102 HE ARG 13 HE ARG 13 25.194 42.185 29.638 103 HH11 ARG 13 HH11 ARG 13 26.373 41.748 32.915 104 HH12 ARG 13 HH12 ARG 13 24.811 42.184 33.597 105 HH21 ARG 13 HH21 ARG 13 23.414 43.069 30.618 106 HH22 ARG 13 HH22 ARG 13 23.356 43.193 32.353 107 H SER 14 H SER 14 29.884 39.598 26.065 108 HA SER 14 HA SER 14 31.923 41.492 26.786 109 HB2 SER 14 HB2 SER 14 33.506 40.129 25.740 110 HB3 SER 14 HB3 SER 14 32.304 39.027 26.419 111 HG SER 14 HG SER 14 31.474 38.715 24.349 112 H LEU 15 H LEU 15 30.010 41.172 23.884 113 HA LEU 15 HA LEU 15 31.440 43.371 22.476 114 HB2 LEU 15 HB2 LEU 15 29.422 41.307 21.534 115 HB3 LEU 15 HB3 LEU 15 30.149 42.545 20.513 116 HG LEU 15 HG LEU 15 31.709 40.335 21.932 117 HD11 LEU 15 HD11 LEU 15 31.908 39.300 19.746 118 HD12 LEU 15 HD12 LEU 15 30.198 39.469 20.175 119 HD13 LEU 15 HD13 LEU 15 30.943 40.593 19.012 120 HD21 LEU 15 HD21 LEU 15 33.130 42.286 21.496 121 HD22 LEU 15 HD22 LEU 15 33.528 40.997 20.360 122 HD23 LEU 15 HD23 LEU 15 32.546 42.375 19.818 123 H GLY 16 H GLY 16 28.894 43.079 24.588 124 HA2 GLY 16 HA2 GLY 16 27.563 44.791 25.347 125 HA3 GLY 16 HA3 GLY 16 27.943 45.757 23.931 126 H LEU 17 H LEU 17 26.465 42.477 23.737 127 HA LEU 17 HA LEU 17 23.788 43.649 23.392 128 HB2 LEU 17 HB2 LEU 17 23.341 42.823 21.253 129 HB3 LEU 17 HB3 LEU 17 24.775 43.816 21.141 130 HG LEU 17 HG LEU 17 24.821 40.782 21.259 131 HD11 LEU 17 HD11 LEU 17 25.070 40.862 18.774 132 HD12 LEU 17 HD12 LEU 17 23.506 41.497 19.303 133 HD13 LEU 17 HD13 LEU 17 24.796 42.615 18.820 134 HD21 LEU 17 HD21 LEU 17 26.874 42.800 20.259 135 HD22 LEU 17 HD22 LEU 17 27.016 41.786 21.708 136 HD23 LEU 17 HD23 LEU 17 27.021 41.034 20.115 137 H LEU 18 H LEU 18 22.158 41.808 22.766 138 HA LEU 18 HA LEU 18 22.147 40.072 25.140 139 HB2 LEU 18 HB2 LEU 18 20.116 40.656 22.968 140 HB3 LEU 18 HB3 LEU 18 19.790 39.684 24.393 141 HG LEU 18 HG LEU 18 20.531 42.645 24.428 142 HD11 LEU 18 HD11 LEU 18 17.839 41.271 24.806 143 HD12 LEU 18 HD12 LEU 18 18.167 43.012 24.968 144 HD13 LEU 18 HD13 LEU 18 18.333 42.227 23.389 145 HD21 LEU 18 HD21 LEU 18 21.139 41.507 26.540 146 HD22 LEU 18 HD22 LEU 18 19.741 42.561 26.772 147 HD23 LEU 18 HD23 LEU 18 19.505 40.809 26.640 148 H GLY 19 H GLY 19 21.093 37.778 24.788 149 HA2 GLY 19 HA2 GLY 19 22.351 36.395 22.454 150 HA3 GLY 19 HA3 GLY 19 22.816 35.919 24.075 151 H LYS 20 H LYS 20 21.527 34.494 21.833 152 HA LYS 20 HA LYS 20 19.248 33.191 23.251 153 HB2 LYS 20 HB2 LYS 20 19.338 34.021 20.324 154 HB3 LYS 20 HB3 LYS 20 18.087 33.018 21.046 155 HG2 LYS 20 HG2 LYS 20 18.605 35.917 21.818 156 HG3 LYS 20 HG3 LYS 20 17.442 35.370 20.610 157 HD2 LYS 20 HD2 LYS 20 16.288 34.015 22.394 158 HD3 LYS 20 HD3 LYS 20 17.348 34.799 23.593 159 HE2 LYS 20 HE2 LYS 20 16.538 37.017 22.890 160 HE3 LYS 20 HE3 LYS 20 15.571 36.290 21.600 161 HZ1 LYS 20 HZ1 LYS 20 14.288 35.129 23.333 162 HZ2 LYS 20 HZ2 LYS 20 15.152 35.904 24.510 163 HZ3 LYS 20 HZ3 LYS 20 14.176 36.757 23.523 164 H CYS 21 H CYS 21 18.930 30.951 22.631 165 HA CYS 21 HA CYS 21 21.194 29.700 21.139 166 HB2 CYS 21 HB2 CYS 21 21.017 27.839 22.470 167 HB3 CYS 21 HB3 CYS 21 20.987 29.206 23.556 168 H ILE 22 H ILE 22 19.674 30.668 19.349 169 HA ILE 22 HA ILE 22 17.146 29.650 18.761 170 HB ILE 22 HB ILE 22 19.235 30.652 16.795 171 HG12 ILE 22 HG12 ILE 22 18.904 32.320 18.541 172 HG13 ILE 22 HG13 ILE 22 18.242 32.859 17.016 173 HG21 ILE 22 HG21 ILE 22 16.216 30.394 16.521 174 HG22 ILE 22 HG22 ILE 22 17.228 31.373 15.442 175 HG23 ILE 22 HG23 ILE 22 17.475 29.632 15.523 176 HD11 ILE 22 HD11 ILE 22 16.608 31.797 19.361 177 HD12 ILE 22 HD12 ILE 22 16.769 33.486 18.858 178 HD13 ILE 22 HD13 ILE 22 15.935 32.336 17.803 179 H GLY 23 H GLY 23 20.231 28.399 17.349 180 HA2 GLY 23 HA2 GLY 23 18.831 25.861 16.590 181 HA3 GLY 23 HA3 GLY 23 20.348 26.478 15.919 182 H GLU 24 H GLU 24 19.401 26.308 19.352 183 HA GLU 24 HA GLU 24 20.335 25.454 21.205 184 HB2 GLU 24 HB2 GLU 24 21.729 23.380 19.505 185 HB3 GLU 24 HB3 GLU 24 21.594 23.365 21.252 186 HG2 GLU 24 HG2 GLU 24 19.188 23.237 19.374 187 HG3 GLU 24 HG3 GLU 24 20.047 21.834 19.973 188 H GLU 25 H GLU 25 22.642 26.025 18.597 189 HA GLU 25 HA GLU 25 24.851 26.722 20.404 190 HB2 GLU 25 HB2 GLU 25 24.356 26.913 17.409 191 HB3 GLU 25 HB3 GLU 25 25.804 27.579 18.153 192 HG2 GLU 25 HG2 GLU 25 24.919 24.659 18.347 193 HG3 GLU 25 HG3 GLU 25 26.129 25.272 17.230 194 H CYS 26 H CYS 26 25.739 28.786 20.714 195 HA CYS 26 HA CYS 26 23.829 30.781 21.299 196 HB2 CYS 26 HB2 CYS 26 25.888 30.449 22.536 197 HB3 CYS 26 HB3 CYS 26 26.847 30.852 21.122 198 H LYS 27 H LYS 27 23.006 32.427 20.260 199 HA LYS 27 HA LYS 27 24.353 33.724 17.917 200 HB2 LYS 27 HB2 LYS 27 21.384 33.137 18.347 201 HB3 LYS 27 HB3 LYS 27 21.995 34.237 17.123 202 HG2 LYS 27 HG2 LYS 27 22.593 31.254 17.237 203 HG3 LYS 27 HG3 LYS 27 21.364 32.027 16.243 204 HD2 LYS 27 HD2 LYS 27 23.423 33.471 15.357 205 HD3 LYS 27 HD3 LYS 27 24.359 32.084 15.965 206 HE2 LYS 27 HE2 LYS 27 22.994 30.563 14.544 207 HE3 LYS 27 HE3 LYS 27 22.040 31.943 13.999 208 HZ1 LYS 27 HZ1 LYS 27 23.662 31.478 12.356 209 HZ2 LYS 27 HZ2 LYS 27 24.107 32.894 13.053 210 HZ3 LYS 27 HZ3 LYS 27 24.907 31.513 13.449 211 H CYS 28 H CYS 28 24.727 35.862 18.318 212 HA CYS 28 HA CYS 28 23.408 37.090 20.650 213 HB2 CYS 28 HB2 CYS 28 25.443 38.396 18.854 214 HB3 CYS 28 HB3 CYS 28 24.880 38.902 20.430 215 H VAL 29 H VAL 29 22.165 38.990 20.640 216 HA VAL 29 HA VAL 29 20.754 39.606 18.095 217 HB VAL 29 HB VAL 29 18.594 39.264 19.051 218 HG11 VAL 29 HG11 VAL 29 19.776 37.305 18.021 219 HG12 VAL 29 HG12 VAL 29 20.176 36.755 19.663 220 HG13 VAL 29 HG13 VAL 29 18.480 36.899 19.151 221 HG21 VAL 29 HG21 VAL 29 18.871 39.816 21.364 222 HG22 VAL 29 HG22 VAL 29 18.220 38.191 21.236 223 HG23 VAL 29 HG23 VAL 29 19.937 38.408 21.623 224 HA PRO 30 HA PRO 30 21.161 43.677 19.217 225 HB2 PRO 30 HB2 PRO 30 19.019 44.998 18.071 226 HB3 PRO 30 HB3 PRO 30 20.355 44.248 17.151 227 HG2 PRO 30 HG2 PRO 30 17.651 43.045 17.811 228 HG3 PRO 30 HG3 PRO 30 18.464 43.126 16.212 229 HD2 PRO 30 HD2 PRO 30 18.619 40.909 17.710 230 HD3 PRO 30 HD3 PRO 30 20.064 41.493 16.843 231 H ALA 31 H ALA 31 20.896 45.138 20.780 232 HA ALA 31 HA ALA 31 18.994 44.613 22.959 233 HB1 ALA 31 HB1 ALA 31 21.390 44.920 23.421 234 HB2 ALA 31 HB2 ALA 31 21.341 46.545 22.697 235 HB3 ALA 31 HB3 ALA 31 20.439 46.204 24.186 Start of MODEL 14 1 H1 ALA 1 H1 ALA 1 14.957 23.624 22.554 2 H2 ALA 1 H2 ALA 1 14.746 22.294 23.497 3 H3 ALA 1 H3 ALA 1 14.973 22.111 21.898 4 HA ALA 1 HA ALA 1 16.979 21.518 22.894 5 HB1 ALA 1 HB1 ALA 1 18.548 23.197 21.970 6 HB2 ALA 1 HB2 ALA 1 17.236 22.836 20.833 7 HB3 ALA 1 HB3 ALA 1 17.210 24.346 21.773 8 H PHE 2 H PHE 2 18.463 21.659 24.504 9 HA PHE 2 HA PHE 2 17.630 23.179 26.907 10 HB2 PHE 2 HB2 PHE 2 19.601 20.886 26.581 11 HB3 PHE 2 HB3 PHE 2 19.014 21.561 28.101 12 HD1 PHE 2 HD1 PHE 2 16.576 21.289 28.738 13 HD2 PHE 2 HD2 PHE 2 18.284 19.299 25.310 14 HE1 PHE 2 HE1 PHE 2 14.609 19.783 28.628 15 HE2 PHE 2 HE2 PHE 2 16.307 17.798 25.202 16 HZ PHE 2 HZ PHE 2 14.471 18.038 26.856 17 H CYS 3 H CYS 3 18.382 25.045 25.598 18 HA CYS 3 HA CYS 3 20.828 25.477 24.567 19 HB2 CYS 3 HB2 CYS 3 18.953 27.498 25.803 20 HB3 CYS 3 HB3 CYS 3 20.218 27.872 24.620 21 H ASN 4 H ASN 4 22.746 26.346 24.967 22 HA ASN 4 HA ASN 4 23.745 26.590 27.701 23 HB2 ASN 4 HB2 ASN 4 25.212 27.060 25.072 24 HB3 ASN 4 HB3 ASN 4 25.927 26.762 26.657 25 HD21 ASN 4 HD21 ASN 4 24.694 23.266 26.564 26 HD22 ASN 4 HD22 ASN 4 24.882 24.596 27.703 27 H LEU 5 H LEU 5 21.774 28.464 27.267 28 HA LEU 5 HA LEU 5 22.518 30.916 26.142 29 HB2 LEU 5 HB2 LEU 5 20.276 29.808 27.640 30 HB3 LEU 5 HB3 LEU 5 20.636 31.413 28.276 31 HG LEU 5 HG LEU 5 20.295 30.809 25.310 32 HD11 LEU 5 HD11 LEU 5 18.237 31.813 27.331 33 HD12 LEU 5 HD12 LEU 5 18.010 31.743 25.570 34 HD13 LEU 5 HD13 LEU 5 18.230 30.241 26.488 35 HD21 LEU 5 HD21 LEU 5 19.833 33.249 25.164 36 HD22 LEU 5 HD22 LEU 5 20.127 33.430 26.899 37 HD23 LEU 5 HD23 LEU 5 21.465 32.953 25.837 38 H ARG 6 H ARG 6 22.837 30.005 29.632 39 HA ARG 6 HA ARG 6 23.613 32.653 30.476 40 HB2 ARG 6 HB2 ARG 6 22.735 30.714 31.903 41 HB3 ARG 6 HB3 ARG 6 24.330 29.997 31.765 42 HG2 ARG 6 HG2 ARG 6 24.971 32.551 32.673 43 HG3 ARG 6 HG3 ARG 6 23.368 32.336 33.374 44 HD2 ARG 6 HD2 ARG 6 24.996 31.546 34.983 45 HD3 ARG 6 HD3 ARG 6 24.142 30.148 34.340 46 HE ARG 6 HE ARG 6 26.075 29.414 33.256 47 HH11 ARG 6 HH11 ARG 6 26.834 32.659 34.526 48 HH12 ARG 6 HH12 ARG 6 28.518 32.433 34.051 49 HH21 ARG 6 HH21 ARG 6 28.098 29.381 32.638 50 HH22 ARG 6 HH22 ARG 6 29.206 30.713 33.083 51 H ARG 7 H ARG 7 25.465 29.889 29.298 52 HA ARG 7 HA ARG 7 28.099 30.959 29.682 53 HB2 ARG 7 HB2 ARG 7 27.123 28.496 29.287 54 HB3 ARG 7 HB3 ARG 7 27.297 28.897 27.583 55 HG2 ARG 7 HG2 ARG 7 29.715 29.307 27.947 56 HG3 ARG 7 HG3 ARG 7 29.489 29.030 29.687 57 HD2 ARG 7 HD2 ARG 7 30.408 27.015 28.672 58 HD3 ARG 7 HD3 ARG 7 28.757 26.709 29.238 59 HE ARG 7 HE ARG 7 28.930 27.516 26.412 60 HH11 ARG 7 HH11 ARG 7 28.661 24.659 28.477 61 HH12 ARG 7 HH12 ARG 7 28.762 23.615 27.058 62 HH21 ARG 7 HH21 ARG 7 28.727 26.176 24.815 63 HH22 ARG 7 HH22 ARG 7 28.580 24.432 25.080 64 H CYS 8 H CYS 8 25.800 31.158 26.950 65 HA CYS 8 HA CYS 8 27.830 32.428 25.223 66 HB2 CYS 8 HB2 CYS 8 26.181 32.610 23.595 67 HB3 CYS 8 HB3 CYS 8 25.948 31.026 24.348 68 H GLU 9 H GLU 9 25.037 33.471 27.103 69 HA GLU 9 HA GLU 9 24.817 36.156 26.460 70 HB2 GLU 9 HB2 GLU 9 24.393 34.669 29.059 71 HB3 GLU 9 HB3 GLU 9 24.072 36.391 28.964 72 HG2 GLU 9 HG2 GLU 9 22.834 34.654 26.833 73 HG3 GLU 9 HG3 GLU 9 22.195 34.543 28.473 74 H LEU 10 H LEU 10 27.272 34.817 28.705 75 HA LEU 10 HA LEU 10 28.192 37.379 29.610 76 HB2 LEU 10 HB2 LEU 10 29.858 36.217 30.751 77 HB3 LEU 10 HB3 LEU 10 28.504 35.109 30.678 78 HG LEU 10 HG LEU 10 29.797 34.217 28.504 79 HD11 LEU 10 HD11 LEU 10 32.045 35.197 30.327 80 HD12 LEU 10 HD12 LEU 10 32.225 34.203 28.867 81 HD13 LEU 10 HD13 LEU 10 31.687 35.875 28.731 82 HD21 LEU 10 HD21 LEU 10 29.149 32.900 30.496 83 HD22 LEU 10 HD22 LEU 10 30.770 32.477 29.932 84 HD23 LEU 10 HD23 LEU 10 30.572 33.512 31.364 85 H SER 11 H SER 11 28.940 35.559 26.715 86 HA SER 11 HA SER 11 31.145 37.330 25.871 87 HB2 SER 11 HB2 SER 11 31.229 34.998 25.203 88 HB3 SER 11 HB3 SER 11 29.629 35.110 24.455 89 HG SER 11 HG SER 11 31.961 36.549 23.663 90 H CYS 12 H CYS 12 27.628 36.883 25.167 91 HA CYS 12 HA CYS 12 27.585 38.983 23.193 92 HB2 CYS 12 HB2 CYS 12 25.214 38.146 24.876 93 HB3 CYS 12 HB3 CYS 12 25.238 38.880 23.259 94 H ARG 13 H ARG 13 27.038 39.052 26.747 95 HA ARG 13 HA ARG 13 26.592 41.853 27.015 96 HB2 ARG 13 HB2 ARG 13 26.692 39.765 28.811 97 HB3 ARG 13 HB3 ARG 13 28.272 40.460 29.087 98 HG2 ARG 13 HG2 ARG 13 27.107 41.732 30.579 99 HG3 ARG 13 HG3 ARG 13 26.807 42.748 29.176 100 HD2 ARG 13 HD2 ARG 13 24.987 40.718 30.510 101 HD3 ARG 13 HD3 ARG 13 24.713 42.448 30.303 102 HE ARG 13 HE ARG 13 24.388 42.047 27.872 103 HH11 ARG 13 HH11 ARG 13 23.563 39.336 30.001 104 HH12 ARG 13 HH12 ARG 13 23.075 38.403 28.581 105 HH21 ARG 13 HH21 ARG 13 23.796 40.625 26.216 106 HH22 ARG 13 HH22 ARG 13 23.116 39.067 26.730 107 H SER 14 H SER 14 29.665 40.028 26.878 108 HA SER 14 HA SER 14 31.419 42.248 27.193 109 HB2 SER 14 HB2 SER 14 32.116 39.873 27.319 110 HB3 SER 14 HB3 SER 14 31.857 39.706 25.576 111 HG SER 14 HG SER 14 33.707 41.364 26.923 112 H LEU 15 H LEU 15 29.671 41.138 24.311 113 HA LEU 15 HA LEU 15 30.965 43.132 22.551 114 HB2 LEU 15 HB2 LEU 15 28.943 40.916 22.122 115 HB3 LEU 15 HB3 LEU 15 29.501 41.985 20.834 116 HG LEU 15 HG LEU 15 31.307 40.118 22.440 117 HD11 LEU 15 HD11 LEU 15 31.327 38.746 20.398 118 HD12 LEU 15 HD12 LEU 15 29.692 38.880 21.053 119 HD13 LEU 15 HD13 LEU 15 30.158 39.843 19.630 120 HD21 LEU 15 HD21 LEU 15 32.908 40.545 20.591 121 HD22 LEU 15 HD22 LEU 15 31.813 41.778 19.933 122 HD23 LEU 15 HD23 LEU 15 32.573 42.005 21.527 123 H GLY 16 H GLY 16 28.418 43.213 24.727 124 HA2 GLY 16 HA2 GLY 16 26.958 44.883 25.224 125 HA3 GLY 16 HA3 GLY 16 27.484 45.798 23.827 126 H LEU 17 H LEU 17 26.118 42.502 23.613 127 HA LEU 17 HA LEU 17 23.440 43.553 22.978 128 HB2 LEU 17 HB2 LEU 17 23.240 42.600 20.857 129 HB3 LEU 17 HB3 LEU 17 24.680 43.600 20.823 130 HG LEU 17 HG LEU 17 24.545 40.587 21.038 131 HD11 LEU 17 HD11 LEU 17 25.285 40.560 18.684 132 HD12 LEU 17 HD12 LEU 17 23.792 41.492 18.831 133 HD13 LEU 17 HD13 LEU 17 25.336 42.336 18.668 134 HD21 LEU 17 HD21 LEU 17 26.971 40.647 20.360 135 HD22 LEU 17 HD22 LEU 17 26.935 42.406 20.631 136 HD23 LEU 17 HD23 LEU 17 26.643 41.275 21.974 137 H LEU 18 H LEU 18 22.028 41.392 22.243 138 HA LEU 18 HA LEU 18 21.987 39.992 24.853 139 HB2 LEU 18 HB2 LEU 18 19.922 40.328 22.652 140 HB3 LEU 18 HB3 LEU 18 19.677 39.355 24.082 141 HG LEU 18 HG LEU 18 18.541 41.393 24.383 142 HD11 LEU 18 HD11 LEU 18 19.434 42.206 26.476 143 HD12 LEU 18 HD12 LEU 18 19.678 40.455 26.384 144 HD13 LEU 18 HD13 LEU 18 21.041 41.568 26.106 145 HD21 LEU 18 HD21 LEU 18 19.419 43.587 24.349 146 HD22 LEU 18 HD22 LEU 18 21.081 43.025 24.142 147 HD23 LEU 18 HD23 LEU 18 19.897 42.818 22.824 148 H GLY 19 H GLY 19 21.888 37.745 25.136 149 HA2 GLY 19 HA2 GLY 19 22.718 36.038 22.855 150 HA3 GLY 19 HA3 GLY 19 22.564 35.563 24.543 151 H LYS 20 H LYS 20 21.387 34.670 21.763 152 HA LYS 20 HA LYS 20 18.767 33.853 22.901 153 HB2 LYS 20 HB2 LYS 20 18.421 35.937 21.576 154 HB3 LYS 20 HB3 LYS 20 19.052 35.117 20.144 155 HG2 LYS 20 HG2 LYS 20 17.201 33.496 20.225 156 HG3 LYS 20 HG3 LYS 20 16.604 34.198 21.733 157 HD2 LYS 20 HD2 LYS 20 16.784 35.705 19.080 158 HD3 LYS 20 HD3 LYS 20 15.337 34.878 19.672 159 HE2 LYS 20 HE2 LYS 20 15.297 36.317 21.679 160 HE3 LYS 20 HE3 LYS 20 16.735 37.181 21.119 161 HZ1 LYS 20 HZ1 LYS 20 15.444 37.898 19.161 162 HZ2 LYS 20 HZ2 LYS 20 14.128 37.092 19.698 163 HZ3 LYS 20 HZ3 LYS 20 14.724 38.381 20.543 164 H CYS 21 H CYS 21 18.173 31.796 22.383 165 HA CYS 21 HA CYS 21 20.162 30.117 21.015 166 HB2 CYS 21 HB2 CYS 21 18.991 29.618 23.209 167 HB3 CYS 21 HB3 CYS 21 17.548 29.284 22.258 168 H ILE 22 H ILE 22 19.819 31.279 18.925 169 HA ILE 22 HA ILE 22 17.318 31.345 17.630 170 HB ILE 22 HB ILE 22 18.409 32.015 15.662 171 HG12 ILE 22 HG12 ILE 22 21.130 31.341 16.863 172 HG13 ILE 22 HG13 ILE 22 20.285 30.302 15.709 173 HG21 ILE 22 HG21 ILE 22 19.504 34.001 16.476 174 HG22 ILE 22 HG22 ILE 22 18.223 33.577 17.611 175 HG23 ILE 22 HG23 ILE 22 19.920 33.231 18.015 176 HD11 ILE 22 HD11 ILE 22 20.166 32.212 14.101 177 HD12 ILE 22 HD12 ILE 22 21.235 33.131 15.190 178 HD13 ILE 22 HD13 ILE 22 21.799 31.619 14.445 179 H GLY 23 H GLY 23 19.361 28.593 17.900 180 HA2 GLY 23 HA2 GLY 23 17.426 26.791 17.209 181 HA3 GLY 23 HA3 GLY 23 18.238 27.066 15.668 182 H GLU 24 H GLU 24 18.197 25.162 18.345 183 HA GLU 24 HA GLU 24 19.421 23.575 19.330 184 HB2 GLU 24 HB2 GLU 24 21.483 23.696 17.122 185 HB3 GLU 24 HB3 GLU 24 21.090 22.355 18.182 186 HG2 GLU 24 HG2 GLU 24 19.427 23.445 15.887 187 HG3 GLU 24 HG3 GLU 24 20.248 21.895 15.979 188 H GLU 25 H GLU 25 21.392 26.304 18.331 189 HA GLU 25 HA GLU 25 22.946 26.274 20.869 190 HB2 GLU 25 HB2 GLU 25 24.021 26.541 18.045 191 HB3 GLU 25 HB3 GLU 25 24.952 26.904 19.480 192 HG2 GLU 25 HG2 GLU 25 23.782 24.150 18.833 193 HG3 GLU 25 HG3 GLU 25 25.412 24.670 18.433 194 H CYS 26 H CYS 26 23.945 28.341 21.369 195 HA CYS 26 HA CYS 26 22.115 30.559 20.744 196 HB2 CYS 26 HB2 CYS 26 22.632 30.080 23.067 197 HB3 CYS 26 HB3 CYS 26 24.361 30.212 22.730 198 H LYS 27 H LYS 27 22.545 32.436 19.823 199 HA LYS 27 HA LYS 27 25.309 33.250 19.167 200 HB2 LYS 27 HB2 LYS 27 23.066 33.355 17.097 201 HB3 LYS 27 HB3 LYS 27 24.683 34.060 16.941 202 HG2 LYS 27 HG2 LYS 27 25.600 31.689 17.321 203 HG3 LYS 27 HG3 LYS 27 23.943 31.114 17.077 204 HD2 LYS 27 HD2 LYS 27 23.966 32.234 14.811 205 HD3 LYS 27 HD3 LYS 27 25.668 32.657 15.089 206 HE2 LYS 27 HE2 LYS 27 26.199 30.248 15.415 207 HE3 LYS 27 HE3 LYS 27 24.509 29.834 15.094 208 HZ1 LYS 27 HZ1 LYS 27 26.312 31.195 13.179 209 HZ2 LYS 27 HZ2 LYS 27 25.960 29.592 13.136 210 HZ3 LYS 27 HZ3 LYS 27 24.772 30.725 12.868 211 H CYS 28 H CYS 28 25.467 35.621 18.886 212 HA CYS 28 HA CYS 28 23.552 36.867 20.747 213 HB2 CYS 28 HB2 CYS 28 25.930 38.258 19.558 214 HB3 CYS 28 HB3 CYS 28 25.030 38.633 21.003 215 H VAL 29 H VAL 29 22.260 38.651 20.302 216 HA VAL 29 HA VAL 29 21.790 39.375 17.453 217 HB VAL 29 HB VAL 29 19.370 39.192 17.827 218 HG11 VAL 29 HG11 VAL 29 20.794 36.542 18.272 219 HG12 VAL 29 HG12 VAL 29 19.183 36.786 17.556 220 HG13 VAL 29 HG13 VAL 29 20.627 37.374 16.713 221 HG21 VAL 29 HG21 VAL 29 19.274 39.286 20.300 222 HG22 VAL 29 HG22 VAL 29 18.439 37.870 19.664 223 HG23 VAL 29 HG23 VAL 29 20.054 37.698 20.395 224 HA PRO 30 HA PRO 30 21.573 43.458 19.094 225 HB2 PRO 30 HB2 PRO 30 20.082 44.811 17.238 226 HB3 PRO 30 HB3 PRO 30 21.736 44.207 16.915 227 HG2 PRO 30 HG2 PRO 30 19.103 42.874 16.202 228 HG3 PRO 30 HG3 PRO 30 20.524 43.152 15.148 229 HD2 PRO 30 HD2 PRO 30 20.105 40.769 16.388 230 HD3 PRO 30 HD3 PRO 30 21.756 41.427 16.190 231 H ALA 31 H ALA 31 20.288 44.859 20.242 232 HA ALA 31 HA ALA 31 17.956 43.886 21.562 233 HB1 ALA 31 HB1 ALA 31 19.552 45.479 22.565 234 HB2 ALA 31 HB2 ALA 31 19.059 46.721 21.395 235 HB3 ALA 31 HB3 ALA 31 17.898 46.113 22.591 Start of MODEL 15 1 H1 ALA 1 H1 ALA 1 20.271 17.923 26.888 2 H2 ALA 1 H2 ALA 1 21.576 17.074 27.439 3 H3 ALA 1 H3 ALA 1 21.761 18.204 26.263 4 HA ALA 1 HA ALA 1 20.905 18.733 29.007 5 HB1 ALA 1 HB1 ALA 1 23.280 18.095 28.928 6 HB2 ALA 1 HB2 ALA 1 23.579 19.304 27.664 7 HB3 ALA 1 HB3 ALA 1 23.115 19.822 29.300 8 H PHE 2 H PHE 2 20.765 20.996 29.537 9 HA PHE 2 HA PHE 2 19.314 22.599 27.739 10 HB2 PHE 2 HB2 PHE 2 20.976 23.560 30.089 11 HB3 PHE 2 HB3 PHE 2 19.544 24.313 29.419 12 HD1 PHE 2 HD1 PHE 2 20.572 22.700 32.229 13 HD2 PHE 2 HD2 PHE 2 17.488 22.321 29.226 14 HE1 PHE 2 HE1 PHE 2 19.186 21.386 33.812 15 HE2 PHE 2 HE2 PHE 2 16.117 20.991 30.808 16 HZ PHE 2 HZ PHE 2 16.969 20.515 33.099 17 H CYS 3 H CYS 3 19.835 24.761 26.867 18 HA CYS 3 HA CYS 3 21.995 24.455 25.051 19 HB2 CYS 3 HB2 CYS 3 19.735 25.414 24.630 20 HB3 CYS 3 HB3 CYS 3 20.163 26.841 25.556 21 H ASN 4 H ASN 4 22.379 25.415 28.039 22 HA ASN 4 HA ASN 4 23.693 26.703 29.333 23 HB2 ASN 4 HB2 ASN 4 25.643 26.594 27.028 24 HB3 ASN 4 HB3 ASN 4 26.013 26.965 28.716 25 HD21 ASN 4 HD21 ASN 4 25.277 23.322 29.433 26 HD22 ASN 4 HD22 ASN 4 24.454 24.778 29.966 27 H LEU 5 H LEU 5 21.714 28.104 28.383 28 HA LEU 5 HA LEU 5 22.127 30.309 26.711 29 HB2 LEU 5 HB2 LEU 5 19.997 29.371 27.419 30 HB3 LEU 5 HB3 LEU 5 20.214 29.963 29.065 31 HG LEU 5 HG LEU 5 20.156 31.879 26.713 32 HD11 LEU 5 HD11 LEU 5 17.704 32.086 27.038 33 HD12 LEU 5 HD12 LEU 5 18.165 30.460 26.498 34 HD13 LEU 5 HD13 LEU 5 17.756 30.745 28.199 35 HD21 LEU 5 HD21 LEU 5 19.277 32.144 29.626 36 HD22 LEU 5 HD22 LEU 5 20.716 32.900 28.905 37 HD23 LEU 5 HD23 LEU 5 19.108 33.407 28.390 38 H ARG 6 H ARG 6 22.945 30.068 30.171 39 HA ARG 6 HA ARG 6 23.354 32.923 30.560 40 HB2 ARG 6 HB2 ARG 6 22.838 31.146 32.327 41 HB3 ARG 6 HB3 ARG 6 24.526 30.629 32.178 42 HG2 ARG 6 HG2 ARG 6 25.277 32.898 32.836 43 HG3 ARG 6 HG3 ARG 6 23.582 33.431 32.910 44 HD2 ARG 6 HD2 ARG 6 24.364 33.021 35.128 45 HD3 ARG 6 HD3 ARG 6 23.183 31.757 34.730 46 HE ARG 6 HE ARG 6 25.732 30.758 34.023 47 HH11 ARG 6 HH11 ARG 6 24.477 31.935 37.068 48 HH12 ARG 6 HH12 ARG 6 25.532 30.850 37.959 49 HH21 ARG 6 HH21 ARG 6 26.923 29.465 35.181 50 HH22 ARG 6 HH22 ARG 6 26.753 29.310 36.919 51 H ARG 7 H ARG 7 25.406 30.291 29.429 52 HA ARG 7 HA ARG 7 27.906 31.839 29.375 53 HB2 ARG 7 HB2 ARG 7 27.185 29.353 27.770 54 HB3 ARG 7 HB3 ARG 7 28.792 30.037 28.008 55 HG2 ARG 7 HG2 ARG 7 28.631 29.489 30.444 56 HG3 ARG 7 HG3 ARG 7 27.044 28.755 30.154 57 HD2 ARG 7 HD2 ARG 7 28.199 27.232 28.441 58 HD3 ARG 7 HD3 ARG 7 29.740 27.846 29.053 59 HE ARG 7 HE ARG 7 28.358 27.035 31.323 60 HH11 ARG 7 HH11 ARG 7 29.568 25.300 28.489 61 HH12 ARG 7 HH12 ARG 7 29.925 23.880 29.451 62 HH21 ARG 7 HH21 ARG 7 28.591 25.116 32.363 63 HH22 ARG 7 HH22 ARG 7 29.402 23.802 31.558 64 H CYS 8 H CYS 8 25.385 30.941 27.030 65 HA CYS 8 HA CYS 8 26.390 32.308 24.773 66 HB2 CYS 8 HB2 CYS 8 24.584 30.689 24.693 67 HB3 CYS 8 HB3 CYS 8 23.543 31.735 25.632 68 H GLU 9 H GLU 9 24.088 33.636 27.251 69 HA GLU 9 HA GLU 9 24.013 36.315 26.267 70 HB2 GLU 9 HB2 GLU 9 23.568 35.005 28.942 71 HB3 GLU 9 HB3 GLU 9 23.631 36.757 28.866 72 HG2 GLU 9 HG2 GLU 9 21.803 35.195 27.005 73 HG3 GLU 9 HG3 GLU 9 21.339 35.559 28.663 74 H LEU 10 H LEU 10 26.448 34.824 28.457 75 HA LEU 10 HA LEU 10 27.809 37.268 29.101 76 HB2 LEU 10 HB2 LEU 10 28.150 35.583 30.628 77 HB3 LEU 10 HB3 LEU 10 28.092 34.314 29.422 78 HG LEU 10 HG LEU 10 30.332 34.865 28.661 79 HD11 LEU 10 HD11 LEU 10 31.845 36.195 30.059 80 HD12 LEU 10 HD12 LEU 10 30.502 37.232 29.568 81 HD13 LEU 10 HD13 LEU 10 30.533 36.558 31.198 82 HD21 LEU 10 HD21 LEU 10 30.042 34.154 31.602 83 HD22 LEU 10 HD22 LEU 10 29.934 33.033 30.231 84 HD23 LEU 10 HD23 LEU 10 31.473 33.822 30.613 85 H SER 11 H SER 11 28.227 34.811 26.518 86 HA SER 11 HA SER 11 30.577 35.903 25.357 87 HB2 SER 11 HB2 SER 11 30.206 34.524 23.549 88 HB3 SER 11 HB3 SER 11 29.389 33.675 24.869 89 HG SER 11 HG SER 11 27.391 34.583 24.039 90 H CYS 12 H CYS 12 27.203 36.791 24.907 91 HA CYS 12 HA CYS 12 27.816 38.774 22.824 92 HB2 CYS 12 HB2 CYS 12 25.194 38.259 24.248 93 HB3 CYS 12 HB3 CYS 12 25.439 39.110 22.711 94 H ARG 13 H ARG 13 26.895 38.915 26.308 95 HA ARG 13 HA ARG 13 26.703 41.686 26.679 96 HB2 ARG 13 HB2 ARG 13 26.199 39.830 28.279 97 HB3 ARG 13 HB3 ARG 13 27.925 39.587 28.539 98 HG2 ARG 13 HG2 ARG 13 28.147 41.815 29.522 99 HG3 ARG 13 HG3 ARG 13 26.467 42.209 29.119 100 HD2 ARG 13 HD2 ARG 13 27.367 39.986 30.996 101 HD3 ARG 13 HD3 ARG 13 26.762 41.564 31.509 102 HE ARG 13 HE ARG 13 24.640 40.956 30.218 103 HH11 ARG 13 HH11 ARG 13 26.531 38.333 31.682 104 HH12 ARG 13 HH12 ARG 13 25.184 37.254 31.642 105 HH21 ARG 13 HH21 ARG 13 22.961 39.563 30.326 106 HH22 ARG 13 HH22 ARG 13 23.148 38.005 31.078 107 H SER 14 H SER 14 29.598 39.654 26.634 108 HA SER 14 HA SER 14 31.537 41.646 27.247 109 HB2 SER 14 HB2 SER 14 31.893 39.197 25.465 110 HB3 SER 14 HB3 SER 14 33.153 40.091 26.339 111 HG SER 14 HG SER 14 31.084 38.448 27.379 112 H LEU 15 H LEU 15 29.760 41.099 24.304 113 HA LEU 15 HA LEU 15 31.344 43.067 22.742 114 HB2 LEU 15 HB2 LEU 15 29.280 41.001 21.880 115 HB3 LEU 15 HB3 LEU 15 30.138 42.094 20.795 116 HG LEU 15 HG LEU 15 31.458 39.922 22.491 117 HD11 LEU 15 HD11 LEU 15 31.745 38.744 20.361 118 HD12 LEU 15 HD12 LEU 15 30.033 39.001 20.707 119 HD13 LEU 15 HD13 LEU 15 30.854 40.023 19.503 120 HD21 LEU 15 HD21 LEU 15 33.016 41.760 22.028 121 HD22 LEU 15 HD22 LEU 15 33.414 40.362 21.037 122 HD23 LEU 15 HD23 LEU 15 32.573 41.740 20.303 123 H GLY 16 H GLY 16 28.907 43.286 24.860 124 HA2 GLY 16 HA2 GLY 16 27.573 45.090 25.331 125 HA3 GLY 16 HA3 GLY 16 28.000 45.813 23.776 126 H LEU 17 H LEU 17 26.476 42.591 23.835 127 HA LEU 17 HA LEU 17 23.802 43.720 23.454 128 HB2 LEU 17 HB2 LEU 17 23.395 42.935 21.294 129 HB3 LEU 17 HB3 LEU 17 24.830 43.919 21.216 130 HG LEU 17 HG LEU 17 24.924 40.882 21.332 131 HD11 LEU 17 HD11 LEU 17 23.597 41.507 19.381 132 HD12 LEU 17 HD12 LEU 17 24.802 42.717 18.903 133 HD13 LEU 17 HD13 LEU 17 25.195 40.986 18.839 134 HD21 LEU 17 HD21 LEU 17 26.920 42.946 20.311 135 HD22 LEU 17 HD22 LEU 17 27.084 41.960 21.773 136 HD23 LEU 17 HD23 LEU 17 27.115 41.180 20.197 137 H LEU 18 H LEU 18 22.247 41.702 22.693 138 HA LEU 18 HA LEU 18 22.400 40.081 25.161 139 HB2 LEU 18 HB2 LEU 18 20.095 40.471 23.257 140 HB3 LEU 18 HB3 LEU 18 20.036 39.738 24.868 141 HG LEU 18 HG LEU 18 20.621 42.664 24.234 142 HD11 LEU 18 HD11 LEU 18 18.248 41.366 25.603 143 HD12 LEU 18 HD12 LEU 18 18.473 43.096 25.266 144 HD13 LEU 18 HD13 LEU 18 18.274 41.953 23.926 145 HD21 LEU 18 HD21 LEU 18 21.855 42.017 26.262 146 HD22 LEU 18 HD22 LEU 18 20.467 43.026 26.679 147 HD23 LEU 18 HD23 LEU 18 20.385 41.270 26.926 148 H GLY 19 H GLY 19 21.998 37.860 25.267 149 HA2 GLY 19 HA2 GLY 19 22.894 36.311 22.886 150 HA3 GLY 19 HA3 GLY 19 22.788 35.721 24.533 151 H LYS 20 H LYS 20 21.747 34.777 21.832 152 HA LYS 20 HA LYS 20 19.031 34.011 22.796 153 HB2 LYS 20 HB2 LYS 20 19.153 35.880 20.942 154 HB3 LYS 20 HB3 LYS 20 19.624 34.560 19.885 155 HG2 LYS 20 HG2 LYS 20 17.402 34.442 19.519 156 HG3 LYS 20 HG3 LYS 20 17.399 33.433 20.968 157 HD2 LYS 20 HD2 LYS 20 16.731 36.413 20.788 158 HD3 LYS 20 HD3 LYS 20 15.584 35.096 20.956 159 HE2 LYS 20 HE2 LYS 20 16.591 34.539 23.174 160 HE3 LYS 20 HE3 LYS 20 17.649 35.948 23.028 161 HZ1 LYS 20 HZ1 LYS 20 14.669 35.995 23.086 162 HZ2 LYS 20 HZ2 LYS 20 15.614 36.418 24.301 163 HZ3 LYS 20 HZ3 LYS 20 15.644 37.353 22.972 164 H CYS 21 H CYS 21 18.999 31.914 23.111 165 HA CYS 21 HA CYS 21 21.084 30.213 21.815 166 HB2 CYS 21 HB2 CYS 21 20.814 30.709 24.400 167 HB3 CYS 21 HB3 CYS 21 19.636 29.401 24.317 168 H ILE 22 H ILE 22 20.431 28.836 20.305 169 HA ILE 22 HA ILE 22 17.568 28.539 19.734 170 HB ILE 22 HB ILE 22 20.098 27.643 18.312 171 HG12 ILE 22 HG12 ILE 22 18.182 29.778 17.319 172 HG13 ILE 22 HG13 ILE 22 19.380 30.203 18.528 173 HG21 ILE 22 HG21 ILE 22 18.638 27.254 16.315 174 HG22 ILE 22 HG22 ILE 22 18.306 26.128 17.619 175 HG23 ILE 22 HG23 ILE 22 17.210 27.498 17.334 176 HD11 ILE 22 HD11 ILE 22 21.213 29.425 17.073 177 HD12 ILE 22 HD12 ILE 22 20.029 29.047 15.801 178 HD13 ILE 22 HD13 ILE 22 20.249 30.720 16.337 179 H GLY 23 H GLY 23 20.248 26.423 20.589 180 HA2 GLY 23 HA2 GLY 23 19.462 24.341 22.008 181 HA3 GLY 23 HA3 GLY 23 18.567 23.961 20.526 182 H GLU 24 H GLU 24 21.518 23.619 22.114 183 HA GLU 24 HA GLU 24 23.639 23.142 21.645 184 HB2 GLU 24 HB2 GLU 24 22.585 21.879 19.087 185 HB3 GLU 24 HB3 GLU 24 24.195 21.650 19.743 186 HG2 GLU 24 HG2 GLU 24 21.587 20.781 21.019 187 HG3 GLU 24 HG3 GLU 24 22.832 19.747 20.318 188 H GLU 25 H GLU 25 22.347 25.640 20.217 189 HA GLU 25 HA GLU 25 24.888 26.623 19.222 190 HB2 GLU 25 HB2 GLU 25 23.847 25.556 17.232 191 HB3 GLU 25 HB3 GLU 25 22.417 26.550 17.452 192 HG2 GLU 25 HG2 GLU 25 23.718 27.412 15.635 193 HG3 GLU 25 HG3 GLU 25 23.761 28.588 16.946 194 H CYS 26 H CYS 26 25.086 28.840 19.118 195 HA CYS 26 HA CYS 26 22.991 30.475 20.479 196 HB2 CYS 26 HB2 CYS 26 24.625 29.870 22.152 197 HB3 CYS 26 HB3 CYS 26 25.950 30.206 21.038 198 H LYS 27 H LYS 27 22.759 32.535 19.805 199 HA LYS 27 HA LYS 27 24.694 33.815 17.959 200 HB2 LYS 27 HB2 LYS 27 21.679 33.669 17.498 201 HB3 LYS 27 HB3 LYS 27 22.767 34.792 16.671 202 HG2 LYS 27 HG2 LYS 27 24.029 32.859 15.718 203 HG3 LYS 27 HG3 LYS 27 22.856 31.754 16.464 204 HD2 LYS 27 HD2 LYS 27 21.019 32.852 15.187 205 HD3 LYS 27 HD3 LYS 27 22.206 33.926 14.415 206 HE2 LYS 27 HE2 LYS 27 23.372 31.982 13.440 207 HE3 LYS 27 HE3 LYS 27 22.252 30.881 14.261 208 HZ1 LYS 27 HZ1 LYS 27 21.606 31.224 11.970 209 HZ2 LYS 27 HZ2 LYS 27 20.445 31.840 12.969 210 HZ3 LYS 27 HZ3 LYS 27 21.473 32.859 12.189 211 H CYS 28 H CYS 28 24.508 36.163 18.007 212 HA CYS 28 HA CYS 28 23.245 37.147 20.538 213 HB2 CYS 28 HB2 CYS 28 25.332 38.599 18.927 214 HB3 CYS 28 HB3 CYS 28 24.711 38.971 20.522 215 H VAL 29 H VAL 29 22.017 39.086 20.559 216 HA VAL 29 HA VAL 29 20.882 39.967 17.959 217 HB VAL 29 HB VAL 29 18.632 40.045 18.937 218 HG11 VAL 29 HG11 VAL 29 19.269 38.216 17.479 219 HG12 VAL 29 HG12 VAL 29 19.861 37.266 18.868 220 HG13 VAL 29 HG13 VAL 29 18.138 37.664 18.716 221 HG21 VAL 29 HG21 VAL 29 18.082 38.648 20.900 222 HG22 VAL 29 HG22 VAL 29 19.812 38.426 21.231 223 HG23 VAL 29 HG23 VAL 29 19.074 40.045 21.321 224 HA PRO 30 HA PRO 30 21.578 44.024 19.542 225 HB2 PRO 30 HB2 PRO 30 19.116 44.847 18.012 226 HB3 PRO 30 HB3 PRO 30 20.752 45.581 18.001 227 HG2 PRO 30 HG2 PRO 30 19.958 43.987 15.957 228 HG3 PRO 30 HG3 PRO 30 21.610 43.811 16.643 229 HD2 PRO 30 HD2 PRO 30 19.138 42.154 17.238 230 HD3 PRO 30 HD3 PRO 30 20.800 41.625 16.837 231 H ALA 31 H ALA 31 20.887 45.535 21.062 232 HA ALA 31 HA ALA 31 18.780 44.753 22.919 233 HB1 ALA 31 HB1 ALA 31 20.915 45.678 23.711 234 HB2 ALA 31 HB2 ALA 31 20.599 47.200 22.842 235 HB3 ALA 31 HB3 ALA 31 19.560 46.712 24.194 Start of MODEL 16 1 H1 ALA 1 H1 ALA 1 16.201 19.325 25.284 2 H2 ALA 1 H2 ALA 1 17.301 18.792 24.188 3 H3 ALA 1 H3 ALA 1 15.823 19.294 23.681 4 HA ALA 1 HA ALA 1 17.593 20.922 23.240 5 HB1 ALA 1 HB1 ALA 1 15.403 21.821 25.157 6 HB2 ALA 1 HB2 ALA 1 16.363 22.874 24.095 7 HB3 ALA 1 HB3 ALA 1 15.261 21.684 23.387 8 H PHE 2 H PHE 2 19.451 21.849 23.982 9 HA PHE 2 HA PHE 2 20.087 21.785 26.868 10 HB2 PHE 2 HB2 PHE 2 21.686 20.194 24.849 11 HB3 PHE 2 HB3 PHE 2 22.035 20.355 26.565 12 HD1 PHE 2 HD1 PHE 2 20.212 18.464 24.069 13 HD2 PHE 2 HD2 PHE 2 20.370 19.416 28.272 14 HE1 PHE 2 HE1 PHE 2 18.772 16.500 24.566 15 HE2 PHE 2 HE2 PHE 2 18.922 17.455 28.764 16 HZ PHE 2 HZ PHE 2 18.116 16.006 26.910 17 H CYS 3 H CYS 3 19.826 24.036 25.122 18 HA CYS 3 HA CYS 3 22.363 24.802 24.003 19 HB2 CYS 3 HB2 CYS 3 20.139 25.484 23.171 20 HB3 CYS 3 HB3 CYS 3 19.903 26.453 24.625 21 H ASN 4 H ASN 4 23.861 26.430 24.601 22 HA ASN 4 HA ASN 4 24.291 26.579 27.474 23 HB2 ASN 4 HB2 ASN 4 26.057 27.224 25.091 24 HB3 ASN 4 HB3 ASN 4 26.565 27.442 26.767 25 HD21 ASN 4 HD21 ASN 4 26.704 23.944 27.515 26 HD22 ASN 4 HD22 ASN 4 26.095 25.441 28.232 27 H LEU 5 H LEU 5 22.164 28.183 26.842 28 HA LEU 5 HA LEU 5 22.511 30.788 26.123 29 HB2 LEU 5 HB2 LEU 5 20.408 29.555 26.497 30 HB3 LEU 5 HB3 LEU 5 20.586 29.731 28.226 31 HG LEU 5 HG LEU 5 18.922 31.205 27.013 32 HD11 LEU 5 HD11 LEU 5 20.949 32.694 28.715 33 HD12 LEU 5 HD12 LEU 5 19.271 33.155 28.397 34 HD13 LEU 5 HD13 LEU 5 19.618 31.679 29.310 35 HD21 LEU 5 HD21 LEU 5 19.643 33.240 25.938 36 HD22 LEU 5 HD22 LEU 5 21.353 32.830 26.176 37 HD23 LEU 5 HD23 LEU 5 20.334 31.850 25.092 38 H ARG 6 H ARG 6 22.946 29.727 29.582 39 HA ARG 6 HA ARG 6 23.263 32.425 30.544 40 HB2 ARG 6 HB2 ARG 6 24.166 31.322 32.607 41 HB3 ARG 6 HB3 ARG 6 22.552 30.835 32.117 42 HG2 ARG 6 HG2 ARG 6 23.384 28.743 31.228 43 HG3 ARG 6 HG3 ARG 6 25.067 29.181 31.529 44 HD2 ARG 6 HD2 ARG 6 22.987 29.021 33.759 45 HD3 ARG 6 HD3 ARG 6 23.861 27.594 33.173 46 HE ARG 6 HE ARG 6 25.744 29.654 33.688 47 HH11 ARG 6 HH11 ARG 6 23.739 27.393 35.518 48 HH12 ARG 6 HH12 ARG 6 24.864 27.352 36.852 49 HH21 ARG 6 HH21 ARG 6 27.149 29.490 35.447 50 HH22 ARG 6 HH22 ARG 6 26.725 28.420 36.763 51 H ARG 7 H ARG 7 25.669 30.113 29.397 52 HA ARG 7 HA ARG 7 27.988 31.795 30.056 53 HB2 ARG 7 HB2 ARG 7 27.685 29.496 28.082 54 HB3 ARG 7 HB3 ARG 7 29.210 30.203 28.629 55 HG2 ARG 7 HG2 ARG 7 28.849 29.360 30.907 56 HG3 ARG 7 HG3 ARG 7 27.255 28.712 30.436 57 HD2 ARG 7 HD2 ARG 7 28.349 27.395 28.641 58 HD3 ARG 7 HD3 ARG 7 29.939 27.935 29.220 59 HE ARG 7 HE ARG 7 28.753 26.757 31.445 60 HH11 ARG 7 HH11 ARG 7 29.390 25.660 28.170 61 HH12 ARG 7 HH12 ARG 7 29.512 23.988 28.666 62 HH21 ARG 7 HH21 ARG 7 28.881 24.663 32.008 63 HH22 ARG 7 HH22 ARG 7 29.099 23.415 30.798 64 H CYS 8 H CYS 8 25.969 31.180 27.214 65 HA CYS 8 HA CYS 8 27.425 32.725 25.306 66 HB2 CYS 8 HB2 CYS 8 25.764 31.043 24.733 67 HB3 CYS 8 HB3 CYS 8 24.510 31.952 25.570 68 H GLU 9 H GLU 9 24.644 33.664 27.404 69 HA GLU 9 HA GLU 9 24.369 36.348 26.600 70 HB2 GLU 9 HB2 GLU 9 23.927 34.844 29.194 71 HB3 GLU 9 HB3 GLU 9 23.644 36.578 29.135 72 HG2 GLU 9 HG2 GLU 9 22.381 34.862 26.987 73 HG3 GLU 9 HG3 GLU 9 21.713 34.835 28.618 74 H LEU 10 H LEU 10 26.805 34.988 28.825 75 HA LEU 10 HA LEU 10 27.859 37.524 29.730 76 HB2 LEU 10 HB2 LEU 10 28.077 35.782 31.236 77 HB3 LEU 10 HB3 LEU 10 28.348 34.575 29.999 78 HG LEU 10 HG LEU 10 30.604 35.441 29.642 79 HD11 LEU 10 HD11 LEU 10 31.660 36.838 31.400 80 HD12 LEU 10 HD12 LEU 10 30.324 37.745 30.671 81 HD13 LEU 10 HD13 LEU 10 30.116 36.965 32.254 82 HD21 LEU 10 HD21 LEU 10 29.956 34.501 32.459 83 HD22 LEU 10 HD22 LEU 10 30.194 33.470 31.030 84 HD23 LEU 10 HD23 LEU 10 31.548 34.406 31.683 85 H SER 11 H SER 11 28.539 35.290 27.006 86 HA SER 11 HA SER 11 30.902 36.799 26.169 87 HB2 SER 11 HB2 SER 11 30.525 34.383 25.606 88 HB3 SER 11 HB3 SER 11 29.267 34.910 24.463 89 HG SER 11 HG SER 11 32.025 35.685 24.529 90 H CYS 12 H CYS 12 27.425 36.803 25.198 91 HA CYS 12 HA CYS 12 27.808 38.858 23.212 92 HB2 CYS 12 HB2 CYS 12 25.219 38.280 24.669 93 HB3 CYS 12 HB3 CYS 12 25.446 39.014 23.067 94 H ARG 13 H ARG 13 27.202 39.031 26.729 95 HA ARG 13 HA ARG 13 26.914 41.856 26.993 96 HB2 ARG 13 HB2 ARG 13 26.663 40.066 28.761 97 HB3 ARG 13 HB3 ARG 13 28.424 39.960 28.842 98 HG2 ARG 13 HG2 ARG 13 28.454 42.413 29.500 99 HG3 ARG 13 HG3 ARG 13 26.683 42.356 29.560 100 HD2 ARG 13 HD2 ARG 13 28.649 40.721 31.211 101 HD3 ARG 13 HD3 ARG 13 27.626 42.040 31.807 102 HE ARG 13 HE ARG 13 25.672 40.486 31.055 103 HH11 ARG 13 HH11 ARG 13 28.518 39.283 32.745 104 HH12 ARG 13 HH12 ARG 13 27.744 37.738 33.017 105 HH21 ARG 13 HH21 ARG 13 24.818 38.573 31.449 106 HH22 ARG 13 HH22 ARG 13 25.780 37.273 32.146 107 H SER 14 H SER 14 29.872 39.893 26.523 108 HA SER 14 HA SER 14 31.691 42.119 26.800 109 HB2 SER 14 HB2 SER 14 33.399 40.717 26.151 110 HB3 SER 14 HB3 SER 14 32.252 39.602 26.901 111 HG SER 14 HG SER 14 31.511 39.091 24.762 112 H LEU 15 H LEU 15 29.579 41.273 24.257 113 HA LEU 15 HA LEU 15 30.901 43.071 22.281 114 HB2 LEU 15 HB2 LEU 15 28.884 40.822 22.045 115 HB3 LEU 15 HB3 LEU 15 29.345 41.842 20.683 116 HG LEU 15 HG LEU 15 31.342 40.153 22.238 117 HD11 LEU 15 HD11 LEU 15 29.619 38.672 21.314 118 HD12 LEU 15 HD12 LEU 15 29.793 39.437 19.718 119 HD13 LEU 15 HD13 LEU 15 31.133 38.502 20.417 120 HD21 LEU 15 HD21 LEU 15 32.313 41.963 20.841 121 HD22 LEU 15 HD22 LEU 15 32.665 40.366 20.157 122 HD23 LEU 15 HD23 LEU 15 31.398 41.375 19.438 123 H GLY 16 H GLY 16 28.614 43.350 24.671 124 HA2 GLY 16 HA2 GLY 16 27.118 45.018 25.134 125 HA3 GLY 16 HA3 GLY 16 27.588 45.818 23.634 126 H LEU 17 H LEU 17 26.140 42.537 23.631 127 HA LEU 17 HA LEU 17 23.474 43.619 23.018 128 HB2 LEU 17 HB2 LEU 17 23.261 42.689 20.912 129 HB3 LEU 17 HB3 LEU 17 24.782 43.568 20.873 130 HG LEU 17 HG LEU 17 24.416 40.586 21.131 131 HD11 LEU 17 HD11 LEU 17 25.165 40.491 18.766 132 HD12 LEU 17 HD12 LEU 17 23.744 41.535 18.892 133 HD13 LEU 17 HD13 LEU 17 25.351 42.253 18.747 134 HD21 LEU 17 HD21 LEU 17 26.832 40.448 20.475 135 HD22 LEU 17 HD22 LEU 17 26.925 42.211 20.675 136 HD23 LEU 17 HD23 LEU 17 26.550 41.166 22.064 137 H LEU 18 H LEU 18 22.097 41.415 22.260 138 HA LEU 18 HA LEU 18 21.929 40.044 24.884 139 HB2 LEU 18 HB2 LEU 18 20.034 39.904 22.522 140 HB3 LEU 18 HB3 LEU 18 19.702 39.456 24.187 141 HG LEU 18 HG LEU 18 20.136 42.285 23.124 142 HD11 LEU 18 HD11 LEU 18 17.735 42.556 23.612 143 HD12 LEU 18 HD12 LEU 18 18.016 41.297 22.402 144 HD13 LEU 18 HD13 LEU 18 17.626 40.851 24.082 145 HD21 LEU 18 HD21 LEU 18 19.303 42.990 25.374 146 HD22 LEU 18 HD22 LEU 18 19.378 41.299 25.914 147 HD23 LEU 18 HD23 LEU 18 20.861 42.168 25.452 148 H GLY 19 H GLY 19 21.921 37.765 25.127 149 HA2 GLY 19 HA2 GLY 19 22.895 36.107 22.845 150 HA3 GLY 19 HA3 GLY 19 22.766 35.611 24.529 151 H LYS 20 H LYS 20 21.645 34.558 21.807 152 HA LYS 20 HA LYS 20 19.047 33.752 22.950 153 HB2 LYS 20 HB2 LYS 20 18.702 35.832 21.529 154 HB3 LYS 20 HB3 LYS 20 19.211 34.871 20.131 155 HG2 LYS 20 HG2 LYS 20 17.306 33.271 20.631 156 HG3 LYS 20 HG3 LYS 20 16.852 34.298 21.993 157 HD2 LYS 20 HD2 LYS 20 15.393 34.788 20.159 158 HD3 LYS 20 HD3 LYS 20 16.449 36.193 20.399 159 HE2 LYS 20 HE2 LYS 20 17.878 35.451 18.520 160 HE3 LYS 20 HE3 LYS 20 16.913 33.981 18.357 161 HZ1 LYS 20 HZ1 LYS 20 16.268 35.653 16.745 162 HZ2 LYS 20 HZ2 LYS 20 15.005 35.342 17.766 163 HZ3 LYS 20 HZ3 LYS 20 15.905 36.729 17.901 164 H CYS 21 H CYS 21 18.610 31.680 22.650 165 HA CYS 21 HA CYS 21 20.345 29.947 20.992 166 HB2 CYS 21 HB2 CYS 21 18.122 29.482 22.989 167 HB3 CYS 21 HB3 CYS 21 18.884 28.175 22.077 168 H ILE 22 H ILE 22 19.905 29.528 18.933 169 HA ILE 22 HA ILE 22 17.189 28.801 18.064 170 HB ILE 22 HB ILE 22 18.800 30.952 16.654 171 HG12 ILE 22 HG12 ILE 22 17.488 31.897 18.517 172 HG13 ILE 22 HG13 ILE 22 17.010 32.479 16.940 173 HG21 ILE 22 HG21 ILE 22 17.868 29.575 14.937 174 HG22 ILE 22 HG22 ILE 22 16.289 29.507 15.749 175 HG23 ILE 22 HG23 ILE 22 16.885 31.028 15.045 176 HD11 ILE 22 HD11 ILE 22 14.977 31.160 16.954 177 HD12 ILE 22 HD12 ILE 22 15.466 30.318 18.438 178 HD13 ILE 22 HD13 ILE 22 15.091 32.047 18.480 179 H GLY 23 H GLY 23 17.374 26.932 16.974 180 HA2 GLY 23 HA2 GLY 23 18.113 25.364 15.450 181 HA3 GLY 23 HA3 GLY 23 19.330 26.504 14.874 182 H GLU 24 H GLU 24 18.758 24.885 18.006 183 HA GLU 24 HA GLU 24 20.009 23.693 19.441 184 HB2 GLU 24 HB2 GLU 24 21.307 22.666 16.905 185 HB3 GLU 24 HB3 GLU 24 21.547 21.943 18.478 186 HG2 GLU 24 HG2 GLU 24 18.744 22.275 17.349 187 HG3 GLU 24 HG3 GLU 24 19.788 20.935 16.903 188 H GLU 25 H GLU 25 21.395 26.345 18.262 189 HA GLU 25 HA GLU 25 23.475 26.178 20.312 190 HB2 GLU 25 HB2 GLU 25 25.294 26.943 18.972 191 HB3 GLU 25 HB3 GLU 25 24.642 25.500 18.218 192 HG2 GLU 25 HG2 GLU 25 23.334 27.030 16.638 193 HG3 GLU 25 HG3 GLU 25 24.244 28.396 17.329 194 H CYS 26 H CYS 26 24.171 28.117 21.198 195 HA CYS 26 HA CYS 26 22.336 30.360 20.835 196 HB2 CYS 26 HB2 CYS 26 23.245 29.586 23.040 197 HB3 CYS 26 HB3 CYS 26 24.809 30.231 22.551 198 H LYS 27 H LYS 27 22.658 32.283 19.997 199 HA LYS 27 HA LYS 27 25.306 33.209 19.078 200 HB2 LYS 27 HB2 LYS 27 22.845 33.173 17.272 201 HB3 LYS 27 HB3 LYS 27 24.295 34.128 16.975 202 HG2 LYS 27 HG2 LYS 27 25.648 32.037 16.894 203 HG3 LYS 27 HG3 LYS 27 24.154 31.088 17.051 204 HD2 LYS 27 HD2 LYS 27 23.283 32.163 14.968 205 HD3 LYS 27 HD3 LYS 27 24.805 33.078 14.834 206 HE2 LYS 27 HE2 LYS 27 26.018 30.839 14.827 207 HE3 LYS 27 HE3 LYS 27 24.440 30.051 14.678 208 HZ1 LYS 27 HZ1 LYS 27 24.114 31.350 12.600 209 HZ2 LYS 27 HZ2 LYS 27 25.615 32.007 12.788 210 HZ3 LYS 27 HZ3 LYS 27 25.499 30.434 12.509 211 H CYS 28 H CYS 28 25.308 35.585 18.759 212 HA CYS 28 HA CYS 28 23.463 36.817 20.703 213 HB2 CYS 28 HB2 CYS 28 25.721 38.246 19.326 214 HB3 CYS 28 HB3 CYS 28 24.880 38.655 20.798 215 H VAL 29 H VAL 29 22.275 38.744 20.336 216 HA VAL 29 HA VAL 29 21.603 39.481 17.558 217 HB VAL 29 HB VAL 29 19.201 39.488 18.023 218 HG11 VAL 29 HG11 VAL 29 20.368 36.712 18.416 219 HG12 VAL 29 HG12 VAL 29 18.786 37.148 17.726 220 HG13 VAL 29 HG13 VAL 29 20.261 37.580 16.866 221 HG21 VAL 29 HG21 VAL 29 18.264 38.151 19.893 222 HG22 VAL 29 HG22 VAL 29 19.889 38.016 20.600 223 HG23 VAL 29 HG23 VAL 29 19.094 39.604 20.443 224 HA PRO 30 HA PRO 30 21.917 43.513 19.272 225 HB2 PRO 30 HB2 PRO 30 19.836 44.440 17.313 226 HB3 PRO 30 HB3 PRO 30 21.489 45.066 17.592 227 HG2 PRO 30 HG2 PRO 30 20.953 43.523 15.428 228 HG3 PRO 30 HG3 PRO 30 22.459 43.257 16.377 229 HD2 PRO 30 HD2 PRO 30 19.834 41.745 16.575 230 HD3 PRO 30 HD3 PRO 30 21.498 41.111 16.416 231 H ALA 31 H ALA 31 21.024 44.723 20.911 232 HA ALA 31 HA ALA 31 18.367 44.125 21.962 233 HB1 ALA 31 HB1 ALA 31 18.994 45.800 23.681 234 HB2 ALA 31 HB2 ALA 31 20.292 44.611 23.454 235 HB3 ALA 31 HB3 ALA 31 20.439 46.231 22.745 Start of MODEL 17 1 H1 ALA 1 H1 ALA 1 18.367 24.516 22.788 2 H2 ALA 1 H2 ALA 1 16.780 24.169 22.554 3 H3 ALA 1 H3 ALA 1 17.909 22.963 22.572 4 HA ALA 1 HA ALA 1 17.129 24.647 24.859 5 HB1 ALA 1 HB1 ALA 1 16.656 21.678 24.335 6 HB2 ALA 1 HB2 ALA 1 16.237 22.547 25.825 7 HB3 ALA 1 HB3 ALA 1 15.422 22.959 24.304 8 H PHE 2 H PHE 2 18.124 24.000 26.930 9 HA PHE 2 HA PHE 2 19.969 23.799 28.196 10 HB2 PHE 2 HB2 PHE 2 20.499 21.275 26.613 11 HB3 PHE 2 HB3 PHE 2 21.074 21.657 28.220 12 HD1 PHE 2 HD1 PHE 2 18.303 20.308 26.277 13 HD2 PHE 2 HD2 PHE 2 19.440 21.843 30.142 14 HE1 PHE 2 HE1 PHE 2 16.280 19.264 27.286 15 HE2 PHE 2 HE2 PHE 2 17.409 20.805 31.153 16 HZ PHE 2 HZ PHE 2 15.844 19.510 29.718 17 H CYS 3 H CYS 3 20.446 25.443 25.809 18 HA CYS 3 HA CYS 3 22.976 24.698 24.643 19 HB2 CYS 3 HB2 CYS 3 21.636 27.403 24.459 20 HB3 CYS 3 HB3 CYS 3 22.723 26.640 23.299 21 H ASN 4 H ASN 4 23.061 25.327 27.594 22 HA ASN 4 HA ASN 4 24.165 26.512 29.185 23 HB2 ASN 4 HB2 ASN 4 26.261 26.729 26.995 24 HB3 ASN 4 HB3 ASN 4 26.526 27.085 28.699 25 HD21 ASN 4 HD21 ASN 4 26.622 23.692 29.722 26 HD22 ASN 4 HD22 ASN 4 26.314 25.348 30.249 27 H LEU 5 H LEU 5 22.147 27.932 28.329 28 HA LEU 5 HA LEU 5 22.622 30.211 26.770 29 HB2 LEU 5 HB2 LEU 5 20.455 29.149 27.163 30 HB3 LEU 5 HB3 LEU 5 20.414 29.753 28.805 31 HG LEU 5 HG LEU 5 18.991 30.907 27.054 32 HD11 LEU 5 HD11 LEU 5 20.840 32.760 28.594 33 HD12 LEU 5 HD12 LEU 5 19.247 33.142 27.930 34 HD13 LEU 5 HD13 LEU 5 19.401 31.956 29.226 35 HD21 LEU 5 HD21 LEU 5 19.894 32.570 25.618 36 HD22 LEU 5 HD22 LEU 5 21.544 32.273 26.169 37 HD23 LEU 5 HD23 LEU 5 20.672 31.018 25.245 38 H ARG 6 H ARG 6 22.901 30.007 30.351 39 HA ARG 6 HA ARG 6 23.344 32.781 30.817 40 HB2 ARG 6 HB2 ARG 6 24.430 32.036 32.888 41 HB3 ARG 6 HB3 ARG 6 22.882 31.249 32.605 42 HG2 ARG 6 HG2 ARG 6 24.005 29.173 31.870 43 HG3 ARG 6 HG3 ARG 6 25.586 29.928 32.074 44 HD2 ARG 6 HD2 ARG 6 23.565 29.663 34.334 45 HD3 ARG 6 HD3 ARG 6 24.810 28.447 33.975 46 HE ARG 6 HE ARG 6 25.929 31.112 34.172 47 HH11 ARG 6 HH11 ARG 6 24.715 28.681 36.383 48 HH12 ARG 6 HH12 ARG 6 26.098 28.910 37.461 49 HH21 ARG 6 HH21 ARG 6 27.416 31.479 35.714 50 HH22 ARG 6 HH22 ARG 6 27.488 30.457 37.152 51 H ARG 7 H ARG 7 25.594 30.330 29.634 52 HA ARG 7 HA ARG 7 27.966 32.066 29.731 53 HB2 ARG 7 HB2 ARG 7 27.544 29.477 28.172 54 HB3 ARG 7 HB3 ARG 7 29.070 30.309 28.450 55 HG2 ARG 7 HG2 ARG 7 28.833 29.887 30.912 56 HG3 ARG 7 HG3 ARG 7 27.351 28.970 30.576 57 HD2 ARG 7 HD2 ARG 7 28.693 27.469 29.055 58 HD3 ARG 7 HD3 ARG 7 30.153 28.330 29.557 59 HE ARG 7 HE ARG 7 28.786 27.423 31.896 60 HH11 ARG 7 HH11 ARG 7 30.436 25.897 29.188 61 HH12 ARG 7 HH12 ARG 7 30.888 24.520 30.168 62 HH21 ARG 7 HH21 ARG 7 29.594 25.666 33.086 63 HH22 ARG 7 HH22 ARG 7 30.541 24.474 32.221 64 H CYS 8 H CYS 8 25.460 31.217 27.380 65 HA CYS 8 HA CYS 8 26.643 32.595 25.126 66 HB2 CYS 8 HB2 CYS 8 24.972 30.908 24.783 67 HB3 CYS 8 HB3 CYS 8 23.813 31.759 25.789 68 H GLU 9 H GLU 9 24.137 33.685 27.533 69 HA GLU 9 HA GLU 9 23.905 36.305 26.442 70 HB2 GLU 9 HB2 GLU 9 23.381 35.216 29.224 71 HB3 GLU 9 HB3 GLU 9 23.154 36.924 28.807 72 HG2 GLU 9 HG2 GLU 9 21.654 36.233 26.919 73 HG3 GLU 9 HG3 GLU 9 21.729 34.575 27.497 74 H LEU 10 H LEU 10 26.268 35.131 28.897 75 HA LEU 10 HA LEU 10 27.420 37.778 29.153 76 HB2 LEU 10 HB2 LEU 10 28.865 36.980 30.725 77 HB3 LEU 10 HB3 LEU 10 27.405 36.045 30.920 78 HG LEU 10 HG LEU 10 28.695 34.268 29.444 79 HD11 LEU 10 HD11 LEU 10 30.947 35.886 30.713 80 HD12 LEU 10 HD12 LEU 10 31.146 34.249 30.093 81 HD13 LEU 10 HD13 LEU 10 30.737 35.576 28.981 82 HD21 LEU 10 HD21 LEU 10 29.556 33.239 31.524 83 HD22 LEU 10 HD22 LEU 10 29.365 34.792 32.368 84 HD23 LEU 10 HD23 LEU 10 27.942 33.918 31.771 85 H SER 11 H SER 11 28.070 35.052 27.045 86 HA SER 11 HA SER 11 30.508 36.024 25.852 87 HB2 SER 11 HB2 SER 11 29.695 33.732 25.515 88 HB3 SER 11 HB3 SER 11 28.273 34.339 24.659 89 HG SER 11 HG SER 11 29.830 33.665 23.236 90 H CYS 12 H CYS 12 27.036 36.607 25.069 91 HA CYS 12 HA CYS 12 27.698 38.485 22.937 92 HB2 CYS 12 HB2 CYS 12 25.072 38.031 24.389 93 HB3 CYS 12 HB3 CYS 12 25.304 38.952 22.889 94 H ARG 13 H ARG 13 26.938 38.874 26.415 95 HA ARG 13 HA ARG 13 26.875 41.729 26.424 96 HB2 ARG 13 HB2 ARG 13 26.147 40.151 28.266 97 HB3 ARG 13 HB3 ARG 13 27.845 39.869 28.634 98 HG2 ARG 13 HG2 ARG 13 26.747 41.475 30.165 99 HG3 ARG 13 HG3 ARG 13 28.154 42.144 29.342 100 HD2 ARG 13 HD2 ARG 13 26.269 43.742 29.537 101 HD3 ARG 13 HD3 ARG 13 26.791 43.455 27.875 102 HE ARG 13 HE ARG 13 24.489 41.848 28.835 103 HH11 ARG 13 HH11 ARG 13 25.333 44.866 27.186 104 HH12 ARG 13 HH12 ARG 13 23.828 44.795 26.268 105 HH21 ARG 13 HH21 ARG 13 22.536 42.065 27.717 106 HH22 ARG 13 HH22 ARG 13 22.380 43.415 26.594 107 H SER 14 H SER 14 29.644 39.493 26.394 108 HA SER 14 HA SER 14 31.684 41.465 26.754 109 HB2 SER 14 HB2 SER 14 31.996 38.939 26.718 110 HB3 SER 14 HB3 SER 14 31.963 39.053 24.945 111 HG SER 14 HG SER 14 34.094 39.289 25.511 112 H LEU 15 H LEU 15 29.751 40.652 23.874 113 HA LEU 15 HA LEU 15 31.344 42.422 22.110 114 HB2 LEU 15 HB2 LEU 15 28.861 40.729 21.631 115 HB3 LEU 15 HB3 LEU 15 29.702 41.651 20.393 116 HG LEU 15 HG LEU 15 30.919 39.336 21.970 117 HD11 LEU 15 HD11 LEU 15 29.108 38.606 20.471 118 HD12 LEU 15 HD12 LEU 15 29.871 39.461 19.111 119 HD13 LEU 15 HD13 LEU 15 30.684 38.075 19.874 120 HD21 LEU 15 HD21 LEU 15 31.949 40.868 19.535 121 HD22 LEU 15 HD22 LEU 15 32.658 40.893 21.167 122 HD23 LEU 15 HD23 LEU 15 32.681 39.405 20.227 123 H GLY 16 H GLY 16 28.540 42.636 24.118 124 HA2 GLY 16 HA2 GLY 16 27.930 44.856 24.864 125 HA3 GLY 16 HA3 GLY 16 28.093 45.455 23.218 126 H LEU 17 H LEU 17 26.364 42.400 23.541 127 HA LEU 17 HA LEU 17 23.737 43.755 23.503 128 HB2 LEU 17 HB2 LEU 17 23.138 43.044 21.343 129 HB3 LEU 17 HB3 LEU 17 24.642 43.932 21.196 130 HG LEU 17 HG LEU 17 24.252 40.932 21.117 131 HD11 LEU 17 HD11 LEU 17 23.306 42.129 19.154 132 HD12 LEU 17 HD12 LEU 17 24.864 42.891 18.871 133 HD13 LEU 17 HD13 LEU 17 24.691 41.134 18.692 134 HD21 LEU 17 HD21 LEU 17 26.741 42.599 20.600 135 HD22 LEU 17 HD22 LEU 17 26.521 41.303 21.804 136 HD23 LEU 17 HD23 LEU 17 26.577 40.905 20.090 137 H LEU 18 H LEU 18 21.985 42.027 22.814 138 HA LEU 18 HA LEU 18 21.808 40.219 25.081 139 HB2 LEU 18 HB2 LEU 18 19.969 40.644 22.697 140 HB3 LEU 18 HB3 LEU 18 19.552 39.781 24.164 141 HG LEU 18 HG LEU 18 20.247 42.752 24.053 142 HD11 LEU 18 HD11 LEU 18 17.540 41.373 24.188 143 HD12 LEU 18 HD12 LEU 18 17.850 43.121 24.290 144 HD13 LEU 18 HD13 LEU 18 18.203 42.247 22.787 145 HD21 LEU 18 HD21 LEU 18 20.601 41.726 26.281 146 HD22 LEU 18 HD22 LEU 18 19.199 42.804 26.290 147 HD23 LEU 18 HD23 LEU 18 18.966 41.041 26.228 148 H GLY 19 H GLY 19 21.193 37.904 24.856 149 HA2 GLY 19 HA2 GLY 19 22.403 36.538 22.473 150 HA3 GLY 19 HA3 GLY 19 22.911 36.105 24.097 151 H LYS 20 H LYS 20 21.496 34.667 21.823 152 HA LYS 20 HA LYS 20 19.543 33.205 23.505 153 HB2 LYS 20 HB2 LYS 20 17.814 33.212 21.846 154 HB3 LYS 20 HB3 LYS 20 18.164 34.856 22.374 155 HG2 LYS 20 HG2 LYS 20 19.306 35.387 20.298 156 HG3 LYS 20 HG3 LYS 20 19.346 33.687 19.818 157 HD2 LYS 20 HD2 LYS 20 17.606 34.731 18.554 158 HD3 LYS 20 HD3 LYS 20 16.877 33.632 19.733 159 HE2 LYS 20 HE2 LYS 20 16.537 35.675 21.248 160 HE3 LYS 20 HE3 LYS 20 17.033 36.677 19.875 161 HZ1 LYS 20 HZ1 LYS 20 14.744 34.807 19.972 162 HZ2 LYS 20 HZ2 LYS 20 14.630 36.426 19.993 163 HZ3 LYS 20 HZ3 LYS 20 15.164 35.673 18.619 164 H CYS 21 H CYS 21 18.954 31.113 22.639 165 HA CYS 21 HA CYS 21 21.124 29.882 21.059 166 HB2 CYS 21 HB2 CYS 21 20.323 28.863 23.164 167 HB3 CYS 21 HB3 CYS 21 18.750 28.578 22.414 168 H ILE 22 H ILE 22 20.948 29.169 19.013 169 HA ILE 22 HA ILE 22 18.668 29.711 17.274 170 HB ILE 22 HB ILE 22 21.230 28.087 16.964 171 HG12 ILE 22 HG12 ILE 22 20.640 30.775 15.678 172 HG13 ILE 22 HG13 ILE 22 21.369 30.663 17.274 173 HG21 ILE 22 HG21 ILE 22 19.222 28.894 14.805 174 HG22 ILE 22 HG22 ILE 22 20.820 28.187 14.494 175 HG23 ILE 22 HG23 ILE 22 19.617 27.237 15.326 176 HD11 ILE 22 HD11 ILE 22 22.580 29.485 14.746 177 HD12 ILE 22 HD12 ILE 22 23.119 30.931 15.601 178 HD13 ILE 22 HD13 ILE 22 23.254 29.348 16.385 179 H GLY 23 H GLY 23 19.953 26.914 18.948 180 HA2 GLY 23 HA2 GLY 23 17.622 25.340 19.143 181 HA3 GLY 23 HA3 GLY 23 18.523 24.793 17.709 182 H GLU 24 H GLU 24 21.109 24.945 18.315 183 HA GLU 24 HA GLU 24 21.600 23.918 21.080 184 HB2 GLU 24 HB2 GLU 24 22.799 22.848 18.502 185 HB3 GLU 24 HB3 GLU 24 23.327 22.429 20.136 186 HG2 GLU 24 HG2 GLU 24 20.980 21.625 20.618 187 HG3 GLU 24 HG3 GLU 24 20.598 21.864 18.909 188 H GLU 25 H GLU 25 22.452 26.302 18.776 189 HA GLU 25 HA GLU 25 25.002 26.895 20.219 190 HB2 GLU 25 HB2 GLU 25 25.276 26.047 17.949 191 HB3 GLU 25 HB3 GLU 25 24.225 27.318 17.324 192 HG2 GLU 25 HG2 GLU 25 26.548 27.826 16.854 193 HG3 GLU 25 HG3 GLU 25 25.876 29.040 17.923 194 H CYS 26 H CYS 26 25.677 29.039 20.440 195 HA CYS 26 HA CYS 26 23.568 30.914 21.130 196 HB2 CYS 26 HB2 CYS 26 25.585 30.487 22.505 197 HB3 CYS 26 HB3 CYS 26 26.598 31.098 21.198 198 H LYS 27 H LYS 27 22.914 32.683 20.115 199 HA LYS 27 HA LYS 27 24.517 34.028 17.992 200 HB2 LYS 27 HB2 LYS 27 22.700 32.726 16.917 201 HB3 LYS 27 HB3 LYS 27 21.516 33.479 17.993 202 HG2 LYS 27 HG2 LYS 27 22.226 35.736 16.992 203 HG3 LYS 27 HG3 LYS 27 23.152 34.824 15.795 204 HD2 LYS 27 HD2 LYS 27 20.155 34.600 16.317 205 HD3 LYS 27 HD3 LYS 27 20.889 35.586 15.053 206 HE2 LYS 27 HE2 LYS 27 21.950 32.917 14.787 207 HE3 LYS 27 HE3 LYS 27 20.202 32.772 15.025 208 HZ1 LYS 27 HZ1 LYS 27 20.650 33.005 12.725 209 HZ2 LYS 27 HZ2 LYS 27 19.943 34.416 13.210 210 HZ3 LYS 27 HZ3 LYS 27 21.563 34.366 12.934 211 H CYS 28 H CYS 28 24.697 36.191 18.342 212 HA CYS 28 HA CYS 28 23.190 37.355 20.605 213 HB2 CYS 28 HB2 CYS 28 25.422 38.689 19.095 214 HB3 CYS 28 HB3 CYS 28 24.789 39.052 20.685 215 H VAL 29 H VAL 29 22.002 39.311 20.484 216 HA VAL 29 HA VAL 29 21.180 40.278 17.804 217 HB VAL 29 HB VAL 29 18.802 40.116 18.324 218 HG11 VAL 29 HG11 VAL 29 19.910 38.317 17.019 219 HG12 VAL 29 HG12 VAL 29 20.089 37.371 18.514 220 HG13 VAL 29 HG13 VAL 29 18.473 37.771 17.898 221 HG21 VAL 29 HG21 VAL 29 19.593 38.484 20.767 222 HG22 VAL 29 HG22 VAL 29 18.802 40.078 20.765 223 HG23 VAL 29 HG23 VAL 29 17.947 38.681 20.123 224 HA PRO 30 HA PRO 30 21.345 44.112 19.894 225 HB2 PRO 30 HB2 PRO 30 19.903 45.804 18.299 226 HB3 PRO 30 HB3 PRO 30 21.470 45.086 17.824 227 HG2 PRO 30 HG2 PRO 30 18.683 44.127 17.110 228 HG3 PRO 30 HG3 PRO 30 20.089 44.358 16.026 229 HD2 PRO 30 HD2 PRO 30 19.445 41.911 17.039 230 HD3 PRO 30 HD3 PRO 30 21.150 42.409 16.811 231 H ALA 31 H ALA 31 20.310 45.661 21.167 232 HA ALA 31 HA ALA 31 17.939 44.771 22.573 233 HB1 ALA 31 HB1 ALA 31 19.623 47.295 22.861 234 HB2 ALA 31 HB2 ALA 31 18.395 46.723 24.007 235 HB3 ALA 31 HB3 ALA 31 19.855 45.761 23.733 Start of MODEL 18 1 H1 ALA 1 H1 ALA 1 14.275 22.505 23.801 2 H2 ALA 1 H2 ALA 1 14.366 21.773 22.319 3 H3 ALA 1 H3 ALA 1 15.020 23.265 22.543 4 HA ALA 1 HA ALA 1 15.901 20.791 23.864 5 HB1 ALA 1 HB1 ALA 1 17.979 21.090 22.483 6 HB2 ALA 1 HB2 ALA 1 16.540 20.677 21.536 7 HB3 ALA 1 HB3 ALA 1 17.142 22.354 21.565 8 H PHE 2 H PHE 2 17.715 20.982 25.291 9 HA PHE 2 HA PHE 2 18.011 23.499 26.655 10 HB2 PHE 2 HB2 PHE 2 19.679 20.978 26.743 11 HB3 PHE 2 HB3 PHE 2 19.940 22.365 27.784 12 HD1 PHE 2 HD1 PHE 2 17.835 23.202 29.167 13 HD2 PHE 2 HD2 PHE 2 18.347 19.212 27.613 14 HE1 PHE 2 HE1 PHE 2 16.297 22.325 30.908 15 HE2 PHE 2 HE2 PHE 2 16.819 18.339 29.363 16 HZ PHE 2 HZ PHE 2 15.808 19.887 31.025 17 H CYS 3 H CYS 3 19.675 24.997 26.661 18 HA CYS 3 HA CYS 3 21.803 24.804 24.569 19 HB2 CYS 3 HB2 CYS 3 19.807 26.077 23.727 20 HB3 CYS 3 HB3 CYS 3 20.015 27.207 25.060 21 H ASN 4 H ASN 4 23.704 26.060 24.970 22 HA ASN 4 HA ASN 4 24.369 26.567 27.772 23 HB2 ASN 4 HB2 ASN 4 25.992 27.005 25.242 24 HB3 ASN 4 HB3 ASN 4 26.597 27.077 26.894 25 HD21 ASN 4 HD21 ASN 4 25.669 23.249 26.659 26 HD22 ASN 4 HD22 ASN 4 24.595 24.505 27.243 27 H LEU 5 H LEU 5 22.233 28.211 26.897 28 HA LEU 5 HA LEU 5 22.851 30.715 25.844 29 HB2 LEU 5 HB2 LEU 5 20.640 29.617 26.050 30 HB3 LEU 5 HB3 LEU 5 20.596 29.964 27.767 31 HG LEU 5 HG LEU 5 20.900 32.212 25.761 32 HD11 LEU 5 HD11 LEU 5 18.435 32.413 25.682 33 HD12 LEU 5 HD12 LEU 5 18.994 30.903 24.953 34 HD13 LEU 5 HD13 LEU 5 18.285 30.889 26.582 35 HD21 LEU 5 HD21 LEU 5 19.631 33.496 27.445 36 HD22 LEU 5 HD22 LEU 5 19.417 32.043 28.435 37 HD23 LEU 5 HD23 LEU 5 21.023 32.756 28.238 38 H ARG 6 H ARG 6 22.914 29.740 29.278 39 HA ARG 6 HA ARG 6 23.155 32.370 30.383 40 HB2 ARG 6 HB2 ARG 6 22.390 30.372 31.580 41 HB3 ARG 6 HB3 ARG 6 23.986 29.657 31.510 42 HG2 ARG 6 HG2 ARG 6 23.442 32.330 32.876 43 HG3 ARG 6 HG3 ARG 6 23.182 30.793 33.689 44 HD2 ARG 6 HD2 ARG 6 25.855 31.827 32.678 45 HD3 ARG 6 HD3 ARG 6 25.305 31.722 34.348 46 HE ARG 6 HE ARG 6 25.109 29.102 33.357 47 HH11 ARG 6 HH11 ARG 6 27.750 31.361 33.926 48 HH12 ARG 6 HH12 ARG 6 28.920 30.055 33.994 49 HH21 ARG 6 HH21 ARG 6 26.505 27.596 33.659 50 HH22 ARG 6 HH22 ARG 6 28.202 27.918 34.005 51 H ARG 7 H ARG 7 25.700 30.065 29.368 52 HA ARG 7 HA ARG 7 27.861 31.961 30.042 53 HB2 ARG 7 HB2 ARG 7 27.853 29.379 28.418 54 HB3 ARG 7 HB3 ARG 7 29.292 30.357 28.747 55 HG2 ARG 7 HG2 ARG 7 28.761 30.161 31.224 56 HG3 ARG 7 HG3 ARG 7 27.546 28.948 30.802 57 HD2 ARG 7 HD2 ARG 7 30.547 28.806 30.342 58 HD3 ARG 7 HD3 ARG 7 29.620 27.894 31.515 59 HE ARG 7 HE ARG 7 28.581 26.628 29.743 60 HH11 ARG 7 HH11 ARG 7 31.357 28.515 28.567 61 HH12 ARG 7 HH12 ARG 7 31.573 27.401 27.231 62 HH21 ARG 7 HH21 ARG 7 29.112 25.238 28.090 63 HH22 ARG 7 HH22 ARG 7 30.410 25.678 26.991 64 H CYS 8 H CYS 8 26.050 31.180 27.069 65 HA CYS 8 HA CYS 8 27.614 32.836 25.322 66 HB2 CYS 8 HB2 CYS 8 24.678 32.070 25.212 67 HB3 CYS 8 HB3 CYS 8 25.603 32.784 23.885 68 H GLU 9 H GLU 9 24.752 33.645 27.365 69 HA GLU 9 HA GLU 9 24.441 36.352 26.581 70 HB2 GLU 9 HB2 GLU 9 23.814 34.762 29.090 71 HB3 GLU 9 HB3 GLU 9 23.643 36.516 29.103 72 HG2 GLU 9 HG2 GLU 9 22.221 36.337 27.023 73 HG3 GLU 9 HG3 GLU 9 22.173 34.595 27.272 74 H LEU 10 H LEU 10 26.801 34.974 28.857 75 HA LEU 10 HA LEU 10 27.715 37.503 29.928 76 HB2 LEU 10 HB2 LEU 10 28.020 35.738 31.376 77 HB3 LEU 10 HB3 LEU 10 28.296 34.571 30.102 78 HG LEU 10 HG LEU 10 30.552 35.460 29.743 79 HD11 LEU 10 HD11 LEU 10 31.605 36.855 31.486 80 HD12 LEU 10 HD12 LEU 10 30.245 37.738 30.797 81 HD13 LEU 10 HD13 LEU 10 30.072 36.948 32.373 82 HD21 LEU 10 HD21 LEU 10 29.919 34.472 32.554 83 HD22 LEU 10 HD22 LEU 10 30.167 33.467 31.109 84 HD23 LEU 10 HD23 LEU 10 31.511 34.402 31.766 85 H SER 11 H SER 11 28.834 35.246 27.366 86 HA SER 11 HA SER 11 31.129 36.758 26.545 87 HB2 SER 11 HB2 SER 11 30.812 34.420 25.921 88 HB3 SER 11 HB3 SER 11 29.358 34.827 24.989 89 HG SER 11 HG SER 11 30.608 35.289 23.378 90 H CYS 12 H CYS 12 27.750 36.785 25.323 91 HA CYS 12 HA CYS 12 28.310 38.816 23.346 92 HB2 CYS 12 HB2 CYS 12 25.742 37.605 24.392 93 HB3 CYS 12 HB3 CYS 12 25.817 38.793 23.075 94 H ARG 13 H ARG 13 27.207 39.009 26.740 95 HA ARG 13 HA ARG 13 26.662 41.830 26.742 96 HB2 ARG 13 HB2 ARG 13 26.054 40.379 28.583 97 HB3 ARG 13 HB3 ARG 13 27.736 39.960 28.887 98 HG2 ARG 13 HG2 ARG 13 28.206 42.316 29.569 99 HG3 ARG 13 HG3 ARG 13 26.539 42.747 29.146 100 HD2 ARG 13 HD2 ARG 13 26.645 42.450 31.535 101 HD3 ARG 13 HD3 ARG 13 25.714 41.122 30.816 102 HE ARG 13 HE ARG 13 28.548 40.503 31.208 103 HH11 ARG 13 HH11 ARG 13 25.358 40.299 32.700 104 HH12 ARG 13 HH12 ARG 13 25.901 39.092 33.854 105 HH21 ARG 13 HH21 ARG 13 29.180 39.171 32.892 106 HH22 ARG 13 HH22 ARG 13 27.956 38.375 33.839 107 H SER 14 H SER 14 29.769 40.037 26.939 108 HA SER 14 HA SER 14 31.417 42.388 27.243 109 HB2 SER 14 HB2 SER 14 32.188 39.734 25.967 110 HB3 SER 14 HB3 SER 14 33.284 40.977 26.566 111 HG SER 14 HG SER 14 32.580 40.616 28.643 112 H LEU 15 H LEU 15 29.786 41.071 24.446 113 HA LEU 15 HA LEU 15 31.327 42.803 22.576 114 HB2 LEU 15 HB2 LEU 15 29.276 40.616 22.107 115 HB3 LEU 15 HB3 LEU 15 30.076 41.525 20.830 116 HG LEU 15 HG LEU 15 31.482 39.703 22.834 117 HD11 LEU 15 HD11 LEU 15 30.833 39.274 19.891 118 HD12 LEU 15 HD12 LEU 15 31.758 38.178 20.939 119 HD13 LEU 15 HD13 LEU 15 30.042 38.460 21.262 120 HD21 LEU 15 HD21 LEU 15 33.415 39.901 21.302 121 HD22 LEU 15 HD22 LEU 15 32.534 41.108 20.346 122 HD23 LEU 15 HD23 LEU 15 33.007 41.455 22.031 123 H GLY 16 H GLY 16 28.612 43.105 24.529 124 HA2 GLY 16 HA2 GLY 16 27.274 44.967 24.751 125 HA3 GLY 16 HA3 GLY 16 27.858 45.590 23.217 126 H LEU 17 H LEU 17 26.372 42.364 23.418 127 HA LEU 17 HA LEU 17 23.779 43.416 22.466 128 HB2 LEU 17 HB2 LEU 17 23.664 42.211 20.519 129 HB3 LEU 17 HB3 LEU 17 25.226 42.988 20.453 130 HG LEU 17 HG LEU 17 24.812 40.076 21.258 131 HD11 LEU 17 HD11 LEU 17 25.420 39.499 18.949 132 HD12 LEU 17 HD12 LEU 17 23.949 40.479 18.968 133 HD13 LEU 17 HD13 LEU 17 25.497 41.220 18.522 134 HD21 LEU 17 HD21 LEU 17 27.178 39.826 20.562 135 HD22 LEU 17 HD22 LEU 17 27.262 41.577 20.257 136 HD23 LEU 17 HD23 LEU 17 26.996 40.967 21.901 137 H LEU 18 H LEU 18 22.157 41.514 22.136 138 HA LEU 18 HA LEU 18 21.939 40.326 24.824 139 HB2 LEU 18 HB2 LEU 18 19.941 40.291 22.540 140 HB3 LEU 18 HB3 LEU 18 19.633 39.934 24.237 141 HG LEU 18 HG LEU 18 20.311 42.652 23.032 142 HD11 LEU 18 HD11 LEU 18 18.015 41.868 22.619 143 HD12 LEU 18 HD12 LEU 18 17.784 41.593 24.364 144 HD13 LEU 18 HD13 LEU 18 18.032 43.238 23.738 145 HD21 LEU 18 HD21 LEU 18 19.776 41.908 25.941 146 HD22 LEU 18 HD22 LEU 18 21.290 42.556 25.278 147 HD23 LEU 18 HD23 LEU 18 19.846 43.566 25.302 148 H GLY 19 H GLY 19 21.633 38.112 25.247 149 HA2 GLY 19 HA2 GLY 19 22.731 36.294 23.143 150 HA3 GLY 19 HA3 GLY 19 22.782 35.981 24.860 151 H LYS 20 H LYS 20 21.565 34.720 22.255 152 HA LYS 20 HA LYS 20 19.314 33.443 23.597 153 HB2 LYS 20 HB2 LYS 20 17.654 33.869 21.954 154 HB3 LYS 20 HB3 LYS 20 18.189 35.389 22.626 155 HG2 LYS 20 HG2 LYS 20 19.419 35.960 20.638 156 HG3 LYS 20 HG3 LYS 20 19.249 34.324 19.965 157 HD2 LYS 20 HD2 LYS 20 16.821 36.008 20.628 158 HD3 LYS 20 HD3 LYS 20 17.647 36.158 19.071 159 HE2 LYS 20 HE2 LYS 20 17.262 33.866 18.493 160 HE3 LYS 20 HE3 LYS 20 16.717 33.465 20.129 161 HZ1 LYS 20 HZ1 LYS 20 15.268 35.262 18.262 162 HZ2 LYS 20 HZ2 LYS 20 14.852 33.707 18.676 163 HZ3 LYS 20 HZ3 LYS 20 14.812 34.915 19.792 164 H CYS 21 H CYS 21 18.411 31.663 22.152 165 HA CYS 21 HA CYS 21 20.539 30.486 20.424 166 HB2 CYS 21 HB2 CYS 21 18.627 29.072 22.317 167 HB3 CYS 21 HB3 CYS 21 19.838 28.316 21.291 168 H ILE 22 H ILE 22 19.855 28.948 18.868 169 HA ILE 22 HA ILE 22 16.989 28.932 18.051 170 HB ILE 22 HB ILE 22 19.310 29.075 16.138 171 HG12 ILE 22 HG12 ILE 22 18.760 31.324 17.056 172 HG13 ILE 22 HG13 ILE 22 18.487 31.189 15.329 173 HG21 ILE 22 HG21 ILE 22 16.323 28.745 15.617 174 HG22 ILE 22 HG22 ILE 22 17.529 29.099 14.367 175 HG23 ILE 22 HG23 ILE 22 17.602 27.579 15.251 176 HD11 ILE 22 HD11 ILE 22 16.240 30.977 17.360 177 HD12 ILE 22 HD12 ILE 22 16.727 32.478 16.551 178 HD13 ILE 22 HD13 ILE 22 16.092 31.128 15.599 179 H GLY 23 H GLY 23 16.606 27.106 18.968 180 HA2 GLY 23 HA2 GLY 23 16.503 24.758 19.271 181 HA3 GLY 23 HA3 GLY 23 17.846 24.553 18.141 182 H GLU 24 H GLU 24 19.247 23.364 19.416 183 HA GLU 24 HA GLU 24 19.932 24.099 22.157 184 HB2 GLU 24 HB2 GLU 24 21.393 22.222 22.113 185 HB3 GLU 24 HB3 GLU 24 19.966 21.766 21.181 186 HG2 GLU 24 HG2 GLU 24 21.309 22.475 19.093 187 HG3 GLU 24 HG3 GLU 24 22.726 22.547 20.139 188 H GLU 25 H GLU 25 20.724 25.890 19.519 189 HA GLU 25 HA GLU 25 23.613 26.207 20.269 190 HB2 GLU 25 HB2 GLU 25 23.098 24.966 18.146 191 HB3 GLU 25 HB3 GLU 25 22.406 26.459 17.509 192 HG2 GLU 25 HG2 GLU 25 24.624 27.577 17.812 193 HG3 GLU 25 HG3 GLU 25 25.282 26.058 18.451 194 H CYS 26 H CYS 26 24.418 28.165 20.700 195 HA CYS 26 HA CYS 26 22.676 30.414 21.030 196 HB2 CYS 26 HB2 CYS 26 25.691 30.185 21.177 197 HB3 CYS 26 HB3 CYS 26 24.753 31.578 21.700 198 H LYS 27 H LYS 27 22.350 32.197 19.911 199 HA LYS 27 HA LYS 27 24.066 33.161 17.729 200 HB2 LYS 27 HB2 LYS 27 21.129 32.481 17.207 201 HB3 LYS 27 HB3 LYS 27 22.221 33.339 16.108 202 HG2 LYS 27 HG2 LYS 27 23.661 31.247 16.064 203 HG3 LYS 27 HG3 LYS 27 22.381 30.429 16.977 204 HD2 LYS 27 HD2 LYS 27 20.781 31.042 15.114 205 HD3 LYS 27 HD3 LYS 27 22.182 31.645 14.201 206 HE2 LYS 27 HE2 LYS 27 23.249 29.380 14.490 207 HE3 LYS 27 HE3 LYS 27 21.759 28.800 15.240 208 HZ1 LYS 27 HZ1 LYS 27 21.911 28.285 12.877 209 HZ2 LYS 27 HZ2 LYS 27 20.609 29.288 13.131 210 HZ3 LYS 27 HZ3 LYS 27 21.996 29.878 12.497 211 H CYS 28 H CYS 28 24.402 34.818 19.304 212 HA CYS 28 HA CYS 28 22.412 36.355 20.597 213 HB2 CYS 28 HB2 CYS 28 25.256 37.050 19.783 214 HB3 CYS 28 HB3 CYS 28 24.286 37.979 20.921 215 H VAL 29 H VAL 29 21.805 38.615 20.348 216 HA VAL 29 HA VAL 29 21.595 39.610 17.556 217 HB VAL 29 HB VAL 29 19.179 39.872 17.735 218 HG11 VAL 29 HG11 VAL 29 19.927 36.985 18.276 219 HG12 VAL 29 HG12 VAL 29 18.526 37.594 17.388 220 HG13 VAL 29 HG13 VAL 29 20.146 37.810 16.723 221 HG21 VAL 29 HG21 VAL 29 19.356 38.357 20.366 222 HG22 VAL 29 HG22 VAL 29 18.849 40.044 20.150 223 HG23 VAL 29 HG23 VAL 29 17.865 38.745 19.482 224 HA PRO 30 HA PRO 30 22.167 43.597 19.127 225 HB2 PRO 30 HB2 PRO 30 19.805 44.623 17.564 226 HB3 PRO 30 HB3 PRO 30 21.480 45.254 17.627 227 HG2 PRO 30 HG2 PRO 30 20.684 43.747 15.529 228 HG3 PRO 30 HG3 PRO 30 22.284 43.458 16.285 229 HD2 PRO 30 HD2 PRO 30 19.722 41.911 16.693 230 HD3 PRO 30 HD3 PRO 30 21.386 41.315 16.426 231 H ALA 31 H ALA 31 21.706 45.120 20.629 232 HA ALA 31 HA ALA 31 19.301 44.815 22.333 233 HB1 ALA 31 HB1 ALA 31 21.569 44.766 23.359 234 HB2 ALA 31 HB2 ALA 31 21.881 46.398 22.725 235 HB3 ALA 31 HB3 ALA 31 20.611 46.141 23.936 Start of MODEL 19 1 H1 ALA 1 H1 ALA 1 12.666 24.990 27.870 2 H2 ALA 1 H2 ALA 1 13.898 25.682 26.999 3 H3 ALA 1 H3 ALA 1 13.688 26.045 28.589 4 HA ALA 1 HA ALA 1 14.195 23.782 29.214 5 HB1 ALA 1 HB1 ALA 1 13.490 22.723 27.088 6 HB2 ALA 1 HB2 ALA 1 14.883 23.466 26.259 7 HB3 ALA 1 HB3 ALA 1 15.143 22.260 27.527 8 H PHE 2 H PHE 2 16.467 23.077 29.535 9 HA PHE 2 HA PHE 2 18.308 25.293 29.744 10 HB2 PHE 2 HB2 PHE 2 18.788 22.296 29.916 11 HB3 PHE 2 HB3 PHE 2 19.921 23.538 30.414 12 HD1 PHE 2 HD1 PHE 2 17.700 21.224 31.703 13 HD2 PHE 2 HD2 PHE 2 18.715 25.396 32.081 14 HE1 PHE 2 HE1 PHE 2 16.805 21.239 34.020 15 HE2 PHE 2 HE2 PHE 2 17.828 25.405 34.399 16 HZ PHE 2 HZ PHE 2 16.869 23.324 35.371 17 H CYS 3 H CYS 3 19.915 26.010 28.443 18 HA CYS 3 HA CYS 3 20.958 24.434 26.196 19 HB2 CYS 3 HB2 CYS 3 20.321 26.213 24.625 20 HB3 CYS 3 HB3 CYS 3 18.911 25.403 25.306 21 H ASN 4 H ASN 4 22.038 25.661 28.714 22 HA ASN 4 HA ASN 4 23.707 26.878 29.553 23 HB2 ASN 4 HB2 ASN 4 25.019 26.437 26.878 24 HB3 ASN 4 HB3 ASN 4 25.831 26.719 28.424 25 HD21 ASN 4 HD21 ASN 4 24.651 23.223 29.367 26 HD22 ASN 4 HD22 ASN 4 23.951 24.753 29.894 27 H LEU 5 H LEU 5 21.661 28.517 28.129 28 HA LEU 5 HA LEU 5 22.807 30.556 26.598 29 HB2 LEU 5 HB2 LEU 5 20.441 29.972 26.695 30 HB3 LEU 5 HB3 LEU 5 20.309 30.627 28.324 31 HG LEU 5 HG LEU 5 20.591 32.897 27.493 32 HD11 LEU 5 HD11 LEU 5 22.178 32.747 25.721 33 HD12 LEU 5 HD12 LEU 5 21.174 31.597 24.815 34 HD13 LEU 5 HD13 LEU 5 20.683 33.300 24.996 35 HD21 LEU 5 HD21 LEU 5 18.354 31.844 27.324 36 HD22 LEU 5 HD22 LEU 5 18.613 33.083 26.091 37 HD23 LEU 5 HD23 LEU 5 18.725 31.356 25.660 38 H ARG 6 H ARG 6 22.923 30.308 30.097 39 HA ARG 6 HA ARG 6 23.521 33.000 30.828 40 HB2 ARG 6 HB2 ARG 6 23.155 31.217 32.472 41 HB3 ARG 6 HB3 ARG 6 24.507 30.299 31.838 42 HG2 ARG 6 HG2 ARG 6 25.202 31.133 33.895 43 HG3 ARG 6 HG3 ARG 6 26.090 32.060 32.702 44 HD2 ARG 6 HD2 ARG 6 23.595 33.006 34.189 45 HD3 ARG 6 HD3 ARG 6 25.249 33.357 34.682 46 HE ARG 6 HE ARG 6 23.919 34.354 32.188 47 HH11 ARG 6 HH11 ARG 6 26.529 34.971 34.581 48 HH12 ARG 6 HH12 ARG 6 26.847 36.483 33.754 49 HH21 ARG 6 HH21 ARG 6 24.312 36.320 31.567 50 HH22 ARG 6 HH22 ARG 6 25.695 37.231 32.235 51 H ARG 7 H ARG 7 25.657 30.469 29.603 52 HA ARG 7 HA ARG 7 28.059 32.141 29.548 53 HB2 ARG 7 HB2 ARG 7 27.435 29.410 28.317 54 HB3 ARG 7 HB3 ARG 7 29.007 30.198 28.236 55 HG2 ARG 7 HG2 ARG 7 27.612 29.202 30.751 56 HG3 ARG 7 HG3 ARG 7 29.082 28.587 29.992 57 HD2 ARG 7 HD2 ARG 7 29.870 31.153 30.364 58 HD3 ARG 7 HD3 ARG 7 28.646 31.075 31.635 59 HE ARG 7 HE ARG 7 30.078 29.779 32.889 60 HH11 ARG 7 HH11 ARG 7 31.366 29.869 29.595 61 HH12 ARG 7 HH12 ARG 7 32.764 28.950 30.026 62 HH21 ARG 7 HH21 ARG 7 32.207 29.115 33.361 63 HH22 ARG 7 HH22 ARG 7 33.206 28.531 32.063 64 H CYS 8 H CYS 8 25.646 31.246 27.124 65 HA CYS 8 HA CYS 8 27.056 32.499 24.914 66 HB2 CYS 8 HB2 CYS 8 25.284 30.890 24.534 67 HB3 CYS 8 HB3 CYS 8 24.123 31.906 25.378 68 H GLU 9 H GLU 9 24.510 33.691 27.156 69 HA GLU 9 HA GLU 9 24.331 36.367 26.241 70 HB2 GLU 9 HB2 GLU 9 23.845 34.986 28.886 71 HB3 GLU 9 HB3 GLU 9 23.679 36.726 28.763 72 HG2 GLU 9 HG2 GLU 9 22.227 35.068 26.704 73 HG3 GLU 9 HG3 GLU 9 21.635 35.043 28.364 74 H LEU 10 H LEU 10 26.492 35.079 28.898 75 HA LEU 10 HA LEU 10 27.544 37.713 29.352 76 HB2 LEU 10 HB2 LEU 10 28.890 36.827 30.989 77 HB3 LEU 10 HB3 LEU 10 27.457 35.837 30.981 78 HG LEU 10 HG LEU 10 28.920 34.221 29.496 79 HD11 LEU 10 HD11 LEU 10 31.294 34.215 30.173 80 HD12 LEU 10 HD12 LEU 10 30.936 35.714 29.318 81 HD13 LEU 10 HD13 LEU 10 31.058 35.718 31.084 82 HD21 LEU 10 HD21 LEU 10 29.279 34.643 32.495 83 HD22 LEU 10 HD22 LEU 10 28.045 33.642 31.705 84 HD23 LEU 10 HD23 LEU 10 29.759 33.173 31.639 85 H SER 11 H SER 11 28.634 35.106 27.228 86 HA SER 11 HA SER 11 31.111 36.321 26.402 87 HB2 SER 11 HB2 SER 11 29.259 34.499 24.803 88 HB3 SER 11 HB3 SER 11 30.963 34.850 24.458 89 HG SER 11 HG SER 11 29.815 33.355 26.564 90 H CYS 12 H CYS 12 27.742 36.689 25.250 91 HA CYS 12 HA CYS 12 28.543 38.562 23.128 92 HB2 CYS 12 HB2 CYS 12 25.901 37.497 24.149 93 HB3 CYS 12 HB3 CYS 12 26.008 38.758 22.923 94 H ARG 13 H ARG 13 27.163 38.904 26.417 95 HA ARG 13 HA ARG 13 26.727 41.726 26.237 96 HB2 ARG 13 HB2 ARG 13 25.867 39.960 27.943 97 HB3 ARG 13 HB3 ARG 13 27.348 40.284 28.841 98 HG2 ARG 13 HG2 ARG 13 26.733 42.632 29.097 99 HG3 ARG 13 HG3 ARG 13 25.409 42.475 27.934 100 HD2 ARG 13 HD2 ARG 13 25.529 41.139 30.666 101 HD3 ARG 13 HD3 ARG 13 24.569 42.563 30.220 102 HE ARG 13 HE ARG 13 23.883 40.503 28.410 103 HH11 ARG 13 HH11 ARG 13 23.241 41.273 31.767 104 HH12 ARG 13 HH12 ARG 13 22.042 40.012 31.900 105 HH21 ARG 13 HH21 ARG 13 22.229 39.018 28.622 106 HH22 ARG 13 HH22 ARG 13 21.505 38.800 30.206 107 H SER 14 H SER 14 29.623 39.859 27.017 108 HA SER 14 HA SER 14 31.363 41.997 27.795 109 HB2 SER 14 HB2 SER 14 32.048 39.532 26.153 110 HB3 SER 14 HB3 SER 14 33.177 40.561 27.045 111 HG SER 14 HG SER 14 31.094 38.928 28.126 112 H LEU 15 H LEU 15 30.045 41.140 24.646 113 HA LEU 15 HA LEU 15 31.612 43.265 23.269 114 HB2 LEU 15 HB2 LEU 15 29.942 41.001 22.126 115 HB3 LEU 15 HB3 LEU 15 30.928 42.133 21.207 116 HG LEU 15 HG LEU 15 31.975 40.047 23.181 117 HD11 LEU 15 HD11 LEU 15 31.071 39.080 21.105 118 HD12 LEU 15 HD12 LEU 15 32.110 40.158 20.143 119 HD13 LEU 15 HD13 LEU 15 32.830 38.916 21.190 120 HD21 LEU 15 HD21 LEU 15 33.497 41.974 23.116 121 HD22 LEU 15 HD22 LEU 15 34.206 40.610 22.250 122 HD23 LEU 15 HD23 LEU 15 33.485 41.951 21.336 123 H GLY 16 H GLY 16 28.853 43.219 24.982 124 HA2 GLY 16 HA2 GLY 16 27.230 44.811 25.166 125 HA3 GLY 16 HA3 GLY 16 27.856 45.608 23.727 126 H LEU 17 H LEU 17 26.574 42.231 23.645 127 HA LEU 17 HA LEU 17 23.997 43.254 22.610 128 HB2 LEU 17 HB2 LEU 17 24.019 42.087 20.595 129 HB3 LEU 17 HB3 LEU 17 25.445 43.088 20.636 130 HG LEU 17 HG LEU 17 25.576 40.135 21.342 131 HD11 LEU 17 HD11 LEU 17 25.850 41.368 18.579 132 HD12 LEU 17 HD12 LEU 17 26.138 39.671 18.990 133 HD13 LEU 17 HD13 LEU 17 24.503 40.354 19.111 134 HD21 LEU 17 HD21 LEU 17 27.636 41.967 20.038 135 HD22 LEU 17 HD22 LEU 17 27.605 41.591 21.763 136 HD23 LEU 17 HD23 LEU 17 27.881 40.297 20.589 137 H LEU 18 H LEU 18 22.317 41.623 22.260 138 HA LEU 18 HA LEU 18 22.072 40.084 24.747 139 HB2 LEU 18 HB2 LEU 18 20.377 41.746 23.901 140 HB3 LEU 18 HB3 LEU 18 20.069 40.631 22.566 141 HG LEU 18 HG LEU 18 19.356 38.896 24.267 142 HD11 LEU 18 HD11 LEU 18 19.457 41.293 26.158 143 HD12 LEU 18 HD12 LEU 18 18.723 39.718 26.517 144 HD13 LEU 18 HD13 LEU 18 20.466 39.836 26.285 145 HD21 LEU 18 HD21 LEU 18 17.824 41.525 24.268 146 HD22 LEU 18 HD22 LEU 18 17.735 40.263 23.015 147 HD23 LEU 18 HD23 LEU 18 17.169 39.917 24.655 148 H GLY 19 H GLY 19 21.575 37.894 24.895 149 HA2 GLY 19 HA2 GLY 19 22.316 36.230 22.510 150 HA3 GLY 19 HA3 GLY 19 22.441 35.728 24.183 151 H LYS 20 H LYS 20 21.083 34.598 21.697 152 HA LYS 20 HA LYS 20 18.656 33.616 23.144 153 HB2 LYS 20 HB2 LYS 20 18.849 34.403 20.201 154 HB3 LYS 20 HB3 LYS 20 17.584 33.369 20.866 155 HG2 LYS 20 HG2 LYS 20 16.837 35.201 22.353 156 HG3 LYS 20 HG3 LYS 20 18.073 36.271 21.654 157 HD2 LYS 20 HD2 LYS 20 17.058 36.041 19.418 158 HD3 LYS 20 HD3 LYS 20 15.871 34.881 20.049 159 HE2 LYS 20 HE2 LYS 20 14.975 36.619 21.568 160 HE3 LYS 20 HE3 LYS 20 16.144 37.783 20.932 161 HZ1 LYS 20 HZ1 LYS 20 14.099 36.432 19.228 162 HZ2 LYS 20 HZ2 LYS 20 13.890 37.914 19.891 163 HZ3 LYS 20 HZ3 LYS 20 15.067 37.639 18.768 164 H CYS 21 H CYS 21 19.029 31.468 23.532 165 HA CYS 21 HA CYS 21 20.773 29.896 21.783 166 HB2 CYS 21 HB2 CYS 21 20.387 28.073 23.155 167 HB3 CYS 21 HB3 CYS 21 20.559 29.455 24.209 168 H ILE 22 H ILE 22 20.240 28.787 20.004 169 HA ILE 22 HA ILE 22 17.459 29.172 18.968 170 HB ILE 22 HB ILE 22 20.034 28.635 17.465 171 HG12 ILE 22 HG12 ILE 22 20.318 30.789 18.491 172 HG13 ILE 22 HG13 ILE 22 20.038 30.985 16.779 173 HG21 ILE 22 HG21 ILE 22 17.281 29.455 16.470 174 HG22 ILE 22 HG22 ILE 22 18.762 29.482 15.485 175 HG23 ILE 22 HG23 ILE 22 18.163 27.953 16.119 176 HD11 ILE 22 HD11 ILE 22 17.960 31.469 18.961 177 HD12 ILE 22 HD12 ILE 22 18.853 32.703 18.061 178 HD13 ILE 22 HD13 ILE 22 17.687 31.674 17.214 179 H GLY 23 H GLY 23 19.899 26.722 19.567 180 HA2 GLY 23 HA2 GLY 23 18.344 24.397 19.522 181 HA3 GLY 23 HA3 GLY 23 18.837 24.680 17.843 182 H GLU 24 H GLU 24 20.826 24.006 17.244 183 HA GLU 24 HA GLU 24 22.530 22.510 19.081 184 HB2 GLU 24 HB2 GLU 24 22.017 21.833 16.731 185 HB3 GLU 24 HB3 GLU 24 22.838 23.274 16.148 186 HG2 GLU 24 HG2 GLU 24 24.273 21.333 15.917 187 HG3 GLU 24 HG3 GLU 24 24.979 22.471 17.047 188 H GLU 25 H GLU 25 22.568 25.745 17.705 189 HA GLU 25 HA GLU 25 24.951 26.487 19.303 190 HB2 GLU 25 HB2 GLU 25 24.649 26.685 16.301 191 HB3 GLU 25 HB3 GLU 25 25.451 27.995 17.139 192 HG2 GLU 25 HG2 GLU 25 26.325 25.089 17.286 193 HG3 GLU 25 HG3 GLU 25 27.030 26.314 16.234 194 H CYS 26 H CYS 26 24.805 28.429 20.258 195 HA CYS 26 HA CYS 26 22.298 29.924 20.141 196 HB2 CYS 26 HB2 CYS 26 23.480 29.316 22.238 197 HB3 CYS 26 HB3 CYS 26 24.848 30.299 21.742 198 H LYS 27 H LYS 27 22.086 32.153 19.706 199 HA LYS 27 HA LYS 27 24.234 33.498 18.125 200 HB2 LYS 27 HB2 LYS 27 21.317 33.228 17.303 201 HB3 LYS 27 HB3 LYS 27 22.486 34.326 16.559 202 HG2 LYS 27 HG2 LYS 27 23.923 32.357 15.964 203 HG3 LYS 27 HG3 LYS 27 22.645 31.280 16.568 204 HD2 LYS 27 HD2 LYS 27 21.048 32.305 14.959 205 HD3 LYS 27 HD3 LYS 27 22.346 33.337 14.328 206 HE2 LYS 27 HE2 LYS 27 23.615 31.337 13.622 207 HE3 LYS 27 HE3 LYS 27 22.367 30.287 14.313 208 HZ1 LYS 27 HZ1 LYS 27 20.770 31.322 12.756 209 HZ2 LYS 27 HZ2 LYS 27 21.960 32.201 12.068 210 HZ3 LYS 27 HZ3 LYS 27 21.991 30.586 11.920 211 H CYS 28 H CYS 28 23.891 35.834 17.920 212 HA CYS 28 HA CYS 28 22.378 36.965 20.215 213 HB2 CYS 28 HB2 CYS 28 25.273 37.485 19.486 214 HB3 CYS 28 HB3 CYS 28 24.360 38.365 20.718 215 H VAL 29 H VAL 29 21.858 39.175 20.150 216 HA VAL 29 HA VAL 29 21.657 40.455 17.480 217 HB VAL 29 HB VAL 29 19.180 40.677 17.800 218 HG11 VAL 29 HG11 VAL 29 20.119 38.957 16.291 219 HG12 VAL 29 HG12 VAL 29 20.076 37.779 17.620 220 HG13 VAL 29 HG13 VAL 29 18.571 38.482 17.006 221 HG21 VAL 29 HG21 VAL 29 17.964 39.208 19.304 222 HG22 VAL 29 HG22 VAL 29 19.474 38.545 19.951 223 HG23 VAL 29 HG23 VAL 29 19.053 40.241 20.251 224 HA PRO 30 HA PRO 30 22.042 44.216 19.572 225 HB2 PRO 30 HB2 PRO 30 19.671 45.381 18.116 226 HB3 PRO 30 HB3 PRO 30 21.333 46.031 18.274 227 HG2 PRO 30 HG2 PRO 30 20.592 44.792 15.987 228 HG3 PRO 30 HG3 PRO 30 22.186 44.401 16.718 229 HD2 PRO 30 HD2 PRO 30 19.575 42.876 16.987 230 HD3 PRO 30 HD3 PRO 30 21.193 42.258 16.556 231 H ALA 31 H ALA 31 21.520 45.344 21.396 232 HA ALA 31 HA ALA 31 19.113 44.474 22.896 233 HB1 ALA 31 HB1 ALA 31 20.417 45.040 24.839 234 HB2 ALA 31 HB2 ALA 31 21.456 44.136 23.736 235 HB3 ALA 31 HB3 ALA 31 21.614 45.902 23.850 Start of MODEL 20 1 H1 ALA 1 H1 ALA 1 19.276 19.447 24.747 2 H2 ALA 1 H2 ALA 1 18.208 19.659 25.979 3 H3 ALA 1 H3 ALA 1 18.941 18.204 25.772 4 HA ALA 1 HA ALA 1 19.953 19.370 27.607 5 HB1 ALA 1 HB1 ALA 1 21.387 17.890 26.213 6 HB2 ALA 1 HB2 ALA 1 21.790 19.289 25.179 7 HB3 ALA 1 HB3 ALA 1 22.280 19.273 26.886 8 H PHE 2 H PHE 2 21.165 21.249 28.361 9 HA PHE 2 HA PHE 2 20.099 23.742 27.433 10 HB2 PHE 2 HB2 PHE 2 22.462 23.121 29.227 11 HB3 PHE 2 HB3 PHE 2 21.844 24.734 28.950 12 HD1 PHE 2 HD1 PHE 2 21.611 21.923 31.106 13 HD2 PHE 2 HD2 PHE 2 19.252 25.093 29.368 14 HE1 PHE 2 HE1 PHE 2 19.935 21.675 32.929 15 HE2 PHE 2 HE2 PHE 2 17.571 24.838 31.179 16 HZ PHE 2 HZ PHE 2 17.921 23.142 32.965 17 H CYS 3 H CYS 3 20.828 25.329 26.125 18 HA CYS 3 HA CYS 3 22.804 24.673 24.116 19 HB2 CYS 3 HB2 CYS 3 21.374 27.315 24.497 20 HB3 CYS 3 HB3 CYS 3 22.035 26.647 23.012 21 H ASN 4 H ASN 4 23.642 25.396 26.968 22 HA ASN 4 HA ASN 4 25.101 26.600 28.174 23 HB2 ASN 4 HB2 ASN 4 26.555 26.590 25.534 24 HB3 ASN 4 HB3 ASN 4 27.225 27.388 26.950 25 HD21 ASN 4 HD21 ASN 4 26.910 23.337 27.065 26 HD22 ASN 4 HD22 ASN 4 26.110 24.212 25.756 27 H LEU 5 H LEU 5 22.758 28.062 27.267 28 HA LEU 5 HA LEU 5 23.317 30.488 26.009 29 HB2 LEU 5 HB2 LEU 5 21.143 29.437 26.205 30 HB3 LEU 5 HB3 LEU 5 21.041 29.854 27.918 31 HG LEU 5 HG LEU 5 21.501 32.061 25.928 32 HD11 LEU 5 HD11 LEU 5 19.748 30.712 24.880 33 HD12 LEU 5 HD12 LEU 5 18.795 30.766 26.378 34 HD13 LEU 5 HD13 LEU 5 19.114 32.258 25.463 35 HD21 LEU 5 HD21 LEU 5 19.699 31.876 28.388 36 HD22 LEU 5 HD22 LEU 5 21.325 32.583 28.390 37 HD23 LEU 5 HD23 LEU 5 20.041 33.334 27.435 38 H ARG 6 H ARG 6 23.685 29.842 29.493 39 HA ARG 6 HA ARG 6 23.970 32.608 30.307 40 HB2 ARG 6 HB2 ARG 6 23.571 30.702 31.866 41 HB3 ARG 6 HB3 ARG 6 25.178 30.077 31.480 42 HG2 ARG 6 HG2 ARG 6 26.111 32.331 32.369 43 HG3 ARG 6 HG3 ARG 6 24.469 32.688 32.903 44 HD2 ARG 6 HD2 ARG 6 25.817 31.805 34.749 45 HD3 ARG 6 HD3 ARG 6 24.493 30.698 34.354 46 HE ARG 6 HE ARG 6 26.012 29.139 33.468 47 HH11 ARG 6 HH11 ARG 6 27.985 32.002 34.259 48 HH12 ARG 6 HH12 ARG 6 29.438 31.078 33.907 49 HH21 ARG 6 HH21 ARG 6 27.741 28.208 33.025 50 HH22 ARG 6 HH22 ARG 6 29.319 28.985 33.143 51 H ARG 7 H ARG 7 26.376 30.230 29.151 52 HA ARG 7 HA ARG 7 28.707 31.957 29.473 53 HB2 ARG 7 HB2 ARG 7 28.175 29.515 27.724 54 HB3 ARG 7 HB3 ARG 7 29.713 30.364 27.757 55 HG2 ARG 7 HG2 ARG 7 30.052 29.816 30.105 56 HG3 ARG 7 HG3 ARG 7 28.461 29.030 30.192 57 HD2 ARG 7 HD2 ARG 7 29.114 27.365 28.549 58 HD3 ARG 7 HD3 ARG 7 30.646 28.195 28.234 59 HE ARG 7 HE ARG 7 30.937 27.668 30.868 60 HH11 ARG 7 HH11 ARG 7 29.584 25.382 28.560 61 HH12 ARG 7 HH12 ARG 7 30.574 24.076 29.183 62 HH21 ARG 7 HH21 ARG 7 32.287 25.965 31.424 63 HH22 ARG 7 HH22 ARG 7 31.959 24.373 30.788 64 H CYS 8 H CYS 8 26.475 31.215 26.844 65 HA CYS 8 HA CYS 8 27.531 32.863 24.790 66 HB2 CYS 8 HB2 CYS 8 25.864 31.044 24.588 67 HB3 CYS 8 HB3 CYS 8 24.715 32.005 25.486 68 H GLU 9 H GLU 9 24.912 33.662 27.178 69 HA GLU 9 HA GLU 9 24.629 36.389 26.416 70 HB2 GLU 9 HB2 GLU 9 23.797 34.684 28.734 71 HB3 GLU 9 HB3 GLU 9 23.826 36.414 29.020 72 HG2 GLU 9 HG2 GLU 9 22.423 35.358 26.550 73 HG3 GLU 9 HG3 GLU 9 21.645 35.281 28.121 74 H LEU 10 H LEU 10 26.738 35.019 29.069 75 HA LEU 10 HA LEU 10 27.484 37.668 29.900 76 HB2 LEU 10 HB2 LEU 10 28.884 36.711 31.463 77 HB3 LEU 10 HB3 LEU 10 27.586 35.570 31.262 78 HG LEU 10 HG LEU 10 29.285 34.414 29.553 79 HD11 LEU 10 HD11 LEU 10 31.087 36.155 29.798 80 HD12 LEU 10 HD12 LEU 10 31.152 35.820 31.538 81 HD13 LEU 10 HD13 LEU 10 31.613 34.576 30.356 82 HD21 LEU 10 HD21 LEU 10 28.375 33.361 31.586 83 HD22 LEU 10 HD22 LEU 10 30.103 33.006 31.411 84 HD23 LEU 10 HD23 LEU 10 29.560 34.225 32.586 85 H SER 11 H SER 11 28.867 35.510 27.498 86 HA SER 11 HA SER 11 31.161 37.118 26.791 87 HB2 SER 11 HB2 SER 11 29.489 35.327 24.976 88 HB3 SER 11 HB3 SER 11 31.146 35.882 24.708 89 HG SER 11 HG SER 11 30.155 34.044 26.633 90 H CYS 12 H CYS 12 27.760 37.041 25.590 91 HA CYS 12 HA CYS 12 28.319 39.120 23.643 92 HB2 CYS 12 HB2 CYS 12 25.785 37.690 24.451 93 HB3 CYS 12 HB3 CYS 12 25.881 38.906 23.158 94 H ARG 13 H ARG 13 26.869 39.231 26.909 95 HA ARG 13 HA ARG 13 26.125 42.003 26.948 96 HB2 ARG 13 HB2 ARG 13 27.189 40.037 29.022 97 HB3 ARG 13 HB3 ARG 13 26.661 41.664 29.432 98 HG2 ARG 13 HG2 ARG 13 24.395 41.227 28.828 99 HG3 ARG 13 HG3 ARG 13 24.821 39.721 28.003 100 HD2 ARG 13 HD2 ARG 13 25.588 38.788 30.202 101 HD3 ARG 13 HD3 ARG 13 24.962 40.251 30.984 102 HE ARG 13 HE ARG 13 22.956 38.978 29.312 103 HH11 ARG 13 HH11 ARG 13 24.474 38.551 32.477 104 HH12 ARG 13 HH12 ARG 13 22.972 37.928 33.149 105 HH21 ARG 13 HH21 ARG 13 21.328 37.870 30.131 106 HH22 ARG 13 HH22 ARG 13 21.281 37.447 31.854 107 H SER 14 H SER 14 29.232 40.345 27.523 108 HA SER 14 HA SER 14 30.764 42.738 28.024 109 HB2 SER 14 HB2 SER 14 31.776 40.068 26.963 110 HB3 SER 14 HB3 SER 14 32.717 41.343 27.751 111 HG SER 14 HG SER 14 30.783 39.586 28.856 112 H LEU 15 H LEU 15 29.614 41.332 25.027 113 HA LEU 15 HA LEU 15 31.321 43.112 23.371 114 HB2 LEU 15 HB2 LEU 15 29.421 40.837 22.801 115 HB3 LEU 15 HB3 LEU 15 30.045 41.856 21.507 116 HG LEU 15 HG LEU 15 31.879 40.368 23.409 117 HD11 LEU 15 HD11 LEU 15 30.410 38.713 22.352 118 HD12 LEU 15 HD12 LEU 15 30.732 39.419 20.748 119 HD13 LEU 15 HD13 LEU 15 32.033 38.620 21.659 120 HD21 LEU 15 HD21 LEU 15 32.858 42.208 21.991 121 HD22 LEU 15 HD22 LEU 15 33.491 40.613 21.577 122 HD23 LEU 15 HD23 LEU 15 32.258 41.370 20.547 123 H GLY 16 H GLY 16 28.178 43.171 24.807 124 HA2 GLY 16 HA2 GLY 16 26.821 45.082 24.910 125 HA3 GLY 16 HA3 GLY 16 27.533 45.722 23.433 126 H LEU 17 H LEU 17 26.252 42.388 23.552 127 HA LEU 17 HA LEU 17 23.743 43.222 22.237 128 HB2 LEU 17 HB2 LEU 17 24.037 42.109 20.250 129 HB3 LEU 17 HB3 LEU 17 25.502 43.025 20.456 130 HG LEU 17 HG LEU 17 25.310 40.064 21.105 131 HD11 LEU 17 HD11 LEU 17 24.747 40.444 18.718 132 HD12 LEU 17 HD12 LEU 17 26.228 41.393 18.519 133 HD13 LEU 17 HD13 LEU 17 26.322 39.659 18.885 134 HD21 LEU 17 HD21 LEU 17 27.685 41.860 20.473 135 HD22 LEU 17 HD22 LEU 17 27.265 41.190 22.064 136 HD23 LEU 17 HD23 LEU 17 27.756 40.104 20.761 137 H LEU 18 H LEU 18 22.335 41.203 21.641 138 HA LEU 18 HA LEU 18 21.935 39.900 24.271 139 HB2 LEU 18 HB2 LEU 18 20.058 40.010 21.901 140 HB3 LEU 18 HB3 LEU 18 19.681 39.527 23.554 141 HG LEU 18 HG LEU 18 20.368 42.312 22.559 142 HD11 LEU 18 HD11 LEU 18 18.076 42.845 23.290 143 HD12 LEU 18 HD12 LEU 18 18.066 41.528 22.104 144 HD13 LEU 18 HD13 LEU 18 17.844 41.163 23.827 145 HD21 LEU 18 HD21 LEU 18 21.326 42.104 24.797 146 HD22 LEU 18 HD22 LEU 18 19.859 43.080 24.865 147 HD23 LEU 18 HD23 LEU 18 19.815 41.386 25.407 148 H GLY 19 H GLY 19 22.019 37.761 24.661 149 HA2 GLY 19 HA2 GLY 19 22.686 35.870 22.478 150 HA3 GLY 19 HA3 GLY 19 22.642 35.521 24.198 151 H LYS 20 H LYS 20 21.470 34.130 21.840 152 HA LYS 20 HA LYS 20 18.895 33.443 23.100 153 HB2 LYS 20 HB2 LYS 20 17.610 33.599 21.030 154 HB3 LYS 20 HB3 LYS 20 18.173 35.163 21.601 155 HG2 LYS 20 HG2 LYS 20 20.066 35.042 19.921 156 HG3 LYS 20 HG3 LYS 20 19.334 33.570 19.263 157 HD2 LYS 20 HD2 LYS 20 17.927 36.255 19.487 158 HD3 LYS 20 HD3 LYS 20 18.810 35.706 18.051 159 HE2 LYS 20 HE2 LYS 20 17.284 33.700 17.945 160 HE3 LYS 20 HE3 LYS 20 16.336 34.411 19.266 161 HZ1 LYS 20 HZ1 LYS 20 15.410 34.979 17.081 162 HZ2 LYS 20 HZ2 LYS 20 15.920 36.339 17.828 163 HZ3 LYS 20 HZ3 LYS 20 16.813 35.660 16.618 164 H CYS 21 H CYS 21 18.409 31.274 22.899 165 HA CYS 21 HA CYS 21 20.255 29.590 21.274 166 HB2 CYS 21 HB2 CYS 21 19.740 28.774 23.504 167 HB3 CYS 21 HB3 CYS 21 18.026 28.662 23.089 168 H ILE 22 H ILE 22 19.886 29.177 19.250 169 HA ILE 22 HA ILE 22 17.295 29.891 18.025 170 HB ILE 22 HB ILE 22 19.911 28.975 16.778 171 HG12 ILE 22 HG12 ILE 22 18.673 31.734 17.178 172 HG13 ILE 22 HG13 ILE 22 20.157 31.132 17.927 173 HG21 ILE 22 HG21 ILE 22 18.967 29.711 14.642 174 HG22 ILE 22 HG22 ILE 22 17.913 28.499 15.340 175 HG23 ILE 22 HG23 ILE 22 17.465 30.211 15.450 176 HD11 ILE 22 HD11 ILE 22 21.210 31.009 15.654 177 HD12 ILE 22 HD12 ILE 22 19.760 31.800 14.982 178 HD13 ILE 22 HD13 ILE 22 20.750 32.647 16.165 179 H GLY 23 H GLY 23 19.138 26.945 18.702 180 HA2 GLY 23 HA2 GLY 23 16.951 25.225 18.907 181 HA3 GLY 23 HA3 GLY 23 17.470 25.098 17.225 182 H GLU 24 H GLU 24 19.942 24.771 16.959 183 HA GLU 24 HA GLU 24 20.799 22.475 18.630 184 HB2 GLU 24 HB2 GLU 24 21.733 23.827 16.101 185 HB3 GLU 24 HB3 GLU 24 22.937 22.969 17.041 186 HG2 GLU 24 HG2 GLU 24 21.948 21.598 15.238 187 HG3 GLU 24 HG3 GLU 24 21.842 20.884 16.838 188 H GLU 25 H GLU 25 21.443 25.909 18.559 189 HA GLU 25 HA GLU 25 23.425 25.751 20.727 190 HB2 GLU 25 HB2 GLU 25 25.209 26.754 19.388 191 HB3 GLU 25 HB3 GLU 25 24.703 25.212 18.706 192 HG2 GLU 25 HG2 GLU 25 23.146 26.761 17.181 193 HG3 GLU 25 HG3 GLU 25 24.306 27.999 17.631 194 H CYS 26 H CYS 26 24.274 27.937 21.292 195 HA CYS 26 HA CYS 26 22.202 30.037 20.990 196 HB2 CYS 26 HB2 CYS 26 22.721 29.352 23.274 197 HB3 CYS 26 HB3 CYS 26 24.415 29.774 23.038 198 H LYS 27 H LYS 27 22.536 31.877 20.083 199 HA LYS 27 HA LYS 27 25.211 32.801 19.154 200 HB2 LYS 27 HB2 LYS 27 22.679 32.676 17.453 201 HB3 LYS 27 HB3 LYS 27 24.186 33.437 16.961 202 HG2 LYS 27 HG2 LYS 27 23.852 30.459 17.492 203 HG3 LYS 27 HG3 LYS 27 23.776 31.247 15.915 204 HD2 LYS 27 HD2 LYS 27 26.106 32.053 16.180 205 HD3 LYS 27 HD3 LYS 27 26.222 31.219 17.750 206 HE2 LYS 27 HE2 LYS 27 25.737 29.073 16.671 207 HE3 LYS 27 HE3 LYS 27 25.498 29.881 15.107 208 HZ1 LYS 27 HZ1 LYS 27 28.053 29.790 16.606 209 HZ2 LYS 27 HZ2 LYS 27 27.695 28.874 15.301 210 HZ3 LYS 27 HZ3 LYS 27 27.828 30.512 15.135 211 H CYS 28 H CYS 28 25.014 35.156 18.457 212 HA CYS 28 HA CYS 28 22.986 36.519 20.159 213 HB2 CYS 28 HB2 CYS 28 25.894 37.251 19.784 214 HB3 CYS 28 HB3 CYS 28 24.710 38.088 20.796 215 H VAL 29 H VAL 29 22.394 38.633 19.740 216 HA VAL 29 HA VAL 29 22.721 39.705 16.998 217 HB VAL 29 HB VAL 29 20.199 40.007 16.896 218 HG11 VAL 29 HG11 VAL 29 21.462 38.368 15.515 219 HG12 VAL 29 HG12 VAL 29 21.154 37.124 16.753 220 HG13 VAL 29 HG13 VAL 29 19.807 37.872 15.876 221 HG21 VAL 29 HG21 VAL 29 18.768 38.462 18.104 222 HG22 VAL 29 HG22 VAL 29 20.155 37.732 18.935 223 HG23 VAL 29 HG23 VAL 29 19.694 39.403 19.282 224 HA PRO 30 HA PRO 30 22.550 43.601 19.117 225 HB2 PRO 30 HB2 PRO 30 20.974 44.628 16.757 226 HB3 PRO 30 HB3 PRO 30 22.410 45.339 17.552 227 HG2 PRO 30 HG2 PRO 30 22.697 44.016 15.226 228 HG3 PRO 30 HG3 PRO 30 23.866 43.722 16.551 229 HD2 PRO 30 HD2 PRO 30 21.442 42.054 15.781 230 HD3 PRO 30 HD3 PRO 30 23.120 41.533 16.122 231 H ALA 31 H ALA 31 21.243 44.852 20.407 232 HA ALA 31 HA ALA 31 18.444 44.084 20.903 233 HB1 ALA 31 HB1 ALA 31 18.650 45.666 22.766 234 HB2 ALA 31 HB2 ALA 31 20.064 44.601 22.765 235 HB3 ALA 31 HB3 ALA 31 20.203 46.257 22.148
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