NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
639774 | 6d3t | 30454 | 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 12.798 29.410 15.230 2 H2 ALA 1 H2 ALA 1 12.138 30.536 16.230 3 H3 ALA 1 H3 ALA 1 11.230 29.262 15.713 4 HA ALA 1 HA ALA 1 12.088 29.174 18.061 5 HB1 ALA 1 HB1 ALA 1 11.147 27.186 17.020 6 HB2 ALA 1 HB2 ALA 1 12.663 26.883 16.138 7 HB3 ALA 1 HB3 ALA 1 12.622 26.751 17.906 8 H PHE 2 H PHE 2 13.836 30.131 19.019 9 HA PHE 2 HA PHE 2 16.449 30.200 17.766 10 HB2 PHE 2 HB2 PHE 2 15.708 30.850 20.636 11 HB3 PHE 2 HB3 PHE 2 17.110 31.424 19.747 12 HD1 PHE 2 HD1 PHE 2 14.083 32.490 21.007 13 HD2 PHE 2 HD2 PHE 2 16.291 32.551 17.297 14 HE1 PHE 2 HE1 PHE 2 12.770 34.454 20.252 15 HE2 PHE 2 HE2 PHE 2 14.960 34.497 16.539 16 HZ PHE 2 HZ PHE 2 13.196 35.456 18.015 17 H CYS 3 H CYS 3 18.289 28.918 18.122 18 HA CYS 3 HA CYS 3 18.015 26.496 19.647 19 HB2 CYS 3 HB2 CYS 3 20.370 26.118 18.969 20 HB3 CYS 3 HB3 CYS 3 19.358 26.592 17.605 21 H ASN 4 H ASN 4 18.184 29.284 20.941 22 HA ASN 4 HA ASN 4 19.085 30.377 22.755 23 HB2 ASN 4 HB2 ASN 4 18.160 27.747 23.844 24 HB3 ASN 4 HB3 ASN 4 18.543 29.160 24.837 25 HD21 ASN 4 HD21 ASN 4 14.935 29.008 23.314 26 HD22 ASN 4 HD22 ASN 4 16.005 27.637 23.622 27 H LEU 5 H LEU 5 21.297 30.294 21.695 28 HA LEU 5 HA LEU 5 23.282 28.433 22.433 29 HB2 LEU 5 HB2 LEU 5 23.466 29.917 20.512 30 HB3 LEU 5 HB3 LEU 5 23.504 31.332 21.561 31 HG LEU 5 HG LEU 5 25.695 30.648 22.477 32 HD11 LEU 5 HD11 LEU 5 26.972 28.840 21.333 33 HD12 LEU 5 HD12 LEU 5 25.594 28.204 22.229 34 HD13 LEU 5 HD13 LEU 5 25.495 28.375 20.459 35 HD21 LEU 5 HD21 LEU 5 27.004 31.082 20.444 36 HD22 LEU 5 HD22 LEU 5 25.592 30.704 19.432 37 HD23 LEU 5 HD23 LEU 5 25.572 32.120 20.504 38 H ARG 6 H ARG 6 22.329 31.428 24.180 39 HA ARG 6 HA ARG 6 24.607 31.265 26.011 40 HB2 ARG 6 HB2 ARG 6 22.013 32.825 26.345 41 HB3 ARG 6 HB3 ARG 6 23.500 33.014 27.286 42 HG2 ARG 6 HG2 ARG 6 24.675 33.443 25.029 43 HG3 ARG 6 HG3 ARG 6 23.063 33.606 24.334 44 HD2 ARG 6 HD2 ARG 6 22.555 35.449 25.841 45 HD3 ARG 6 HD3 ARG 6 24.125 35.271 26.658 46 HE ARG 6 HE ARG 6 24.872 35.505 24.061 47 HH11 ARG 6 HH11 ARG 6 22.703 37.683 25.842 48 HH12 ARG 6 HH12 ARG 6 23.031 38.958 24.696 49 HH21 ARG 6 HH21 ARG 6 25.193 37.104 22.779 50 HH22 ARG 6 HH22 ARG 6 24.474 38.686 23.090 51 H ARG 7 H ARG 7 21.509 29.711 25.955 52 HA ARG 7 HA ARG 7 21.765 28.656 28.718 53 HB2 ARG 7 HB2 ARG 7 19.850 27.725 26.556 54 HB3 ARG 7 HB3 ARG 7 19.762 27.410 28.291 55 HG2 ARG 7 HG2 ARG 7 19.492 29.927 28.621 56 HG3 ARG 7 HG3 ARG 7 19.401 30.050 26.851 57 HD2 ARG 7 HD2 ARG 7 17.461 28.385 26.969 58 HD3 ARG 7 HD3 ARG 7 17.459 28.688 28.719 59 HE ARG 7 HE ARG 7 17.414 31.182 27.257 60 HH11 ARG 7 HH11 ARG 7 15.216 28.554 28.202 61 HH12 ARG 7 HH12 ARG 7 13.826 29.617 27.950 62 HH21 ARG 7 HH21 ARG 7 15.521 32.329 26.910 63 HH22 ARG 7 HH22 ARG 7 13.977 31.549 27.326 64 H CYS 8 H CYS 8 22.575 27.687 25.450 65 HA CYS 8 HA CYS 8 23.182 24.927 25.926 66 HB2 CYS 8 HB2 CYS 8 22.774 25.935 23.704 67 HB3 CYS 8 HB3 CYS 8 24.242 26.891 23.862 68 H GLU 9 H GLU 9 25.289 27.850 25.871 69 HA GLU 9 HA GLU 9 27.759 26.693 26.476 70 HB2 GLU 9 HB2 GLU 9 26.474 29.337 27.213 71 HB3 GLU 9 HB3 GLU 9 28.117 28.984 27.723 72 HG2 GLU 9 HG2 GLU 9 27.344 28.676 24.801 73 HG3 GLU 9 HG3 GLU 9 27.683 30.262 25.488 74 H LEU 10 H LEU 10 25.148 27.413 28.850 75 HA LEU 10 HA LEU 10 26.536 26.945 31.251 76 HB2 LEU 10 HB2 LEU 10 23.657 26.218 30.862 77 HB3 LEU 10 HB3 LEU 10 24.508 26.929 32.208 78 HG LEU 10 HG LEU 10 23.714 28.204 29.696 79 HD11 LEU 10 HD11 LEU 10 22.305 29.586 31.206 80 HD12 LEU 10 HD12 LEU 10 21.996 27.845 31.432 81 HD13 LEU 10 HD13 LEU 10 23.025 28.724 32.587 82 HD21 LEU 10 HD21 LEU 10 24.532 30.392 30.784 83 HD22 LEU 10 HD22 LEU 10 25.307 29.410 32.035 84 HD23 LEU 10 HD23 LEU 10 25.858 29.311 30.352 85 H SER 11 H SER 11 24.608 24.896 29.158 86 HA SER 11 HA SER 11 24.535 22.521 30.731 87 HB2 SER 11 HB2 SER 11 22.922 23.406 29.049 88 HB3 SER 11 HB3 SER 11 24.070 23.045 27.769 89 HG SER 11 HG SER 11 22.513 21.424 28.043 90 H CYS 12 H CYS 12 26.608 23.576 28.029 91 HA CYS 12 HA CYS 12 28.221 21.156 28.003 92 HB2 CYS 12 HB2 CYS 12 28.761 23.926 26.876 93 HB3 CYS 12 HB3 CYS 12 29.601 22.435 26.431 94 H ARG 13 H ARG 13 28.499 24.315 29.691 95 HA ARG 13 HA ARG 13 31.086 23.846 30.748 96 HB2 ARG 13 HB2 ARG 13 29.727 26.023 30.719 97 HB3 ARG 13 HB3 ARG 13 28.877 25.431 32.137 98 HG2 ARG 13 HG2 ARG 13 30.738 27.026 32.615 99 HG3 ARG 13 HG3 ARG 13 30.905 25.487 33.451 100 HD2 ARG 13 HD2 ARG 13 33.053 26.356 32.498 101 HD3 ARG 13 HD3 ARG 13 32.625 24.746 31.938 102 HE ARG 13 HE ARG 13 31.645 26.809 30.123 103 HH11 ARG 13 HH11 ARG 13 34.563 24.918 30.816 104 HH12 ARG 13 HH12 ARG 13 35.123 25.204 29.165 105 HH21 ARG 13 HH21 ARG 13 32.442 26.999 28.156 106 HH22 ARG 13 HH22 ARG 13 34.039 26.334 27.775 107 H SER 14 H SER 14 28.017 22.507 31.783 108 HA SER 14 HA SER 14 28.875 21.378 34.276 109 HB2 SER 14 HB2 SER 14 26.851 20.349 32.243 110 HB3 SER 14 HB3 SER 14 27.052 19.747 33.889 111 HG SER 14 HG SER 14 25.441 21.236 33.909 112 H LEU 15 H LEU 15 29.399 20.269 30.921 113 HA LEU 15 HA LEU 15 30.716 17.767 31.735 114 HB2 LEU 15 HB2 LEU 15 31.028 19.217 29.092 115 HB3 LEU 15 HB3 LEU 15 31.309 17.518 29.440 116 HG LEU 15 HG LEU 15 28.647 18.953 29.241 117 HD11 LEU 15 HD11 LEU 15 29.933 16.816 27.508 118 HD12 LEU 15 HD12 LEU 15 28.305 17.497 27.299 119 HD13 LEU 15 HD13 LEU 15 29.717 18.539 27.107 120 HD21 LEU 15 HD21 LEU 15 29.275 16.022 29.870 121 HD22 LEU 15 HD22 LEU 15 28.450 17.170 30.949 122 HD23 LEU 15 HD23 LEU 15 27.660 16.633 29.461 123 H GLY 16 H GLY 16 31.594 21.046 30.805 124 HA2 GLY 16 HA2 GLY 16 33.543 22.094 31.921 125 HA3 GLY 16 HA3 GLY 16 34.462 20.626 31.579 126 H LEU 17 H LEU 17 32.290 21.848 29.086 127 HA LEU 17 HA LEU 17 34.549 23.014 27.553 128 HB2 LEU 17 HB2 LEU 17 33.693 21.587 25.582 129 HB3 LEU 17 HB3 LEU 17 34.826 20.906 26.719 130 HG LEU 17 HG LEU 17 31.970 20.387 27.408 131 HD11 LEU 17 HD11 LEU 17 31.554 18.730 25.750 132 HD12 LEU 17 HD12 LEU 17 31.891 20.277 24.942 133 HD13 LEU 17 HD13 LEU 17 33.132 19.008 24.979 134 HD21 LEU 17 HD21 LEU 17 32.884 18.070 27.678 135 HD22 LEU 17 HD22 LEU 17 34.400 18.598 26.940 136 HD23 LEU 17 HD23 LEU 17 33.919 19.244 28.525 137 H LEU 18 H LEU 18 33.713 23.804 25.335 138 HA LEU 18 HA LEU 18 31.676 25.773 26.030 139 HB2 LEU 18 HB2 LEU 18 32.323 26.965 24.125 140 HB3 LEU 18 HB3 LEU 18 33.785 26.321 24.846 141 HG LEU 18 HG LEU 18 33.419 24.393 23.013 142 HD11 LEU 18 HD11 LEU 18 32.031 26.834 21.797 143 HD12 LEU 18 HD12 LEU 18 32.623 25.446 20.869 144 HD13 LEU 18 HD13 LEU 18 31.327 25.219 22.026 145 HD21 LEU 18 HD21 LEU 18 35.378 25.895 23.194 146 HD22 LEU 18 HD22 LEU 18 34.900 25.654 21.509 147 HD23 LEU 18 HD23 LEU 18 34.480 27.169 22.344 148 H GLY 19 H GLY 19 29.864 26.301 24.829 149 HA2 GLY 19 HA2 GLY 19 28.508 24.023 23.425 150 HA3 GLY 19 HA3 GLY 19 27.691 25.381 24.180 151 H LYS 20 H LYS 20 27.983 24.122 21.358 152 HA LYS 20 HA LYS 20 28.292 26.656 19.786 153 HB2 LYS 20 HB2 LYS 20 30.133 25.021 19.370 154 HB3 LYS 20 HB3 LYS 20 28.934 23.782 18.987 155 HG2 LYS 20 HG2 LYS 20 28.131 25.305 17.092 156 HG3 LYS 20 HG3 LYS 20 29.534 26.321 17.406 157 HD2 LYS 20 HD2 LYS 20 29.608 23.355 16.687 158 HD3 LYS 20 HD3 LYS 20 29.761 24.646 15.509 159 HE2 LYS 20 HE2 LYS 20 31.717 24.330 17.829 160 HE3 LYS 20 HE3 LYS 20 31.896 23.474 16.294 161 HZ1 LYS 20 HZ1 LYS 20 31.917 25.649 15.159 162 HZ2 LYS 20 HZ2 LYS 20 31.903 26.418 16.620 163 HZ3 LYS 20 HZ3 LYS 20 33.161 25.449 16.185 164 H CYS 21 H CYS 21 26.504 27.236 18.637 165 HA CYS 21 HA CYS 21 24.248 25.284 18.379 166 HB2 CYS 21 HB2 CYS 21 23.471 27.335 19.219 167 HB3 CYS 21 HB3 CYS 21 24.388 28.284 18.045 168 H ILE 22 H ILE 22 24.231 24.066 16.643 169 HA ILE 22 HA ILE 22 24.963 25.110 13.992 170 HB ILE 22 HB ILE 22 27.013 24.231 14.944 171 HG12 ILE 22 HG12 ILE 22 25.922 22.309 12.841 172 HG13 ILE 22 HG13 ILE 22 26.468 23.966 12.524 173 HG21 ILE 22 HG21 ILE 22 27.365 21.962 15.666 174 HG22 ILE 22 HG22 ILE 22 26.014 22.597 16.593 175 HG23 ILE 22 HG23 ILE 22 25.712 21.504 15.225 176 HD11 ILE 22 HD11 ILE 22 28.702 23.367 13.494 177 HD12 ILE 22 HD12 ILE 22 28.156 21.675 13.576 178 HD13 ILE 22 HD13 ILE 22 28.283 22.486 12.001 179 H GLY 23 H GLY 23 23.670 24.324 12.421 180 HA2 GLY 23 HA2 GLY 23 21.837 23.355 11.459 181 HA3 GLY 23 HA3 GLY 23 22.259 21.876 12.327 182 H GLU 24 H GLU 24 21.194 25.054 13.616 183 HA GLU 24 HA GLU 24 19.546 25.692 15.007 184 HB2 GLU 24 HB2 GLU 24 17.656 23.597 14.017 185 HB3 GLU 24 HB3 GLU 24 17.361 25.272 14.446 186 HG2 GLU 24 HG2 GLU 24 18.561 24.156 11.889 187 HG3 GLU 24 HG3 GLU 24 17.025 24.966 12.094 188 H GLU 25 H GLU 25 21.307 23.361 15.949 189 HA GLU 25 HA GLU 25 19.763 22.912 18.441 190 HB2 GLU 25 HB2 GLU 25 19.294 20.933 17.226 191 HB3 GLU 25 HB3 GLU 25 20.969 20.716 16.731 192 HG2 GLU 25 HG2 GLU 25 21.669 20.046 18.879 193 HG3 GLU 25 HG3 GLU 25 20.252 20.746 19.667 194 H CYS 26 H CYS 26 20.856 22.945 20.271 195 HA CYS 26 HA CYS 26 23.592 23.804 20.521 196 HB2 CYS 26 HB2 CYS 26 21.937 24.278 22.232 197 HB3 CYS 26 HB3 CYS 26 21.538 22.572 22.375 198 H LYS 27 H LYS 27 25.425 22.629 20.337 199 HA LYS 27 HA LYS 27 25.529 19.909 21.518 200 HB2 LYS 27 HB2 LYS 27 25.264 19.847 19.020 201 HB3 LYS 27 HB3 LYS 27 26.777 20.760 18.883 202 HG2 LYS 27 HG2 LYS 27 28.005 18.868 19.993 203 HG3 LYS 27 HG3 LYS 27 26.455 18.017 20.176 204 HD2 LYS 27 HD2 LYS 27 27.425 17.100 18.211 205 HD3 LYS 27 HD3 LYS 27 26.161 18.231 17.661 206 HE2 LYS 27 HE2 LYS 27 27.955 19.984 17.358 207 HE3 LYS 27 HE3 LYS 27 29.158 18.786 17.787 208 HZ1 LYS 27 HZ1 LYS 27 28.495 17.474 15.864 209 HZ2 LYS 27 HZ2 LYS 27 27.306 18.611 15.469 210 HZ3 LYS 27 HZ3 LYS 27 28.894 18.952 15.400 211 H CYS 28 H CYS 28 27.398 19.470 22.628 212 HA CYS 28 HA CYS 28 29.166 21.765 23.193 213 HB2 CYS 28 HB2 CYS 28 29.123 19.058 24.540 214 HB3 CYS 28 HB3 CYS 28 29.778 20.572 25.150 215 H VAL 29 H VAL 29 31.453 21.782 22.946 216 HA VAL 29 HA VAL 29 32.678 19.410 21.641 217 HB VAL 29 HB VAL 29 33.885 20.822 20.021 218 HG11 VAL 29 HG11 VAL 29 30.868 20.874 19.667 219 HG12 VAL 29 HG12 VAL 29 32.103 20.919 18.393 220 HG13 VAL 29 HG13 VAL 29 31.912 19.462 19.380 221 HG21 VAL 29 HG21 VAL 29 33.603 23.059 20.973 222 HG22 VAL 29 HG22 VAL 29 32.919 22.987 19.347 223 HG23 VAL 29 HG23 VAL 29 31.839 22.954 20.753 224 H TYR 30 H TYR 30 34.447 18.759 22.411 225 HA TYR 30 HA TYR 30 35.847 19.840 24.604 226 HB2 TYR 30 HB2 TYR 30 36.538 17.730 22.531 227 HB3 TYR 30 HB3 TYR 30 37.620 18.139 23.846 228 HD1 TYR 30 HD1 TYR 30 37.218 17.501 26.119 229 HD2 TYR 30 HD2 TYR 30 34.305 16.649 23.057 230 HE1 TYR 30 HE1 TYR 30 35.998 15.972 27.688 231 HE2 TYR 30 HE2 TYR 30 33.062 15.186 24.643 232 HH TYR 30 HH TYR 30 32.897 14.458 26.810 Start of MODEL 2 1 H1 ALA 1 H1 ALA 1 12.134 30.535 15.736 2 H2 ALA 1 H2 ALA 1 11.000 30.582 16.930 3 H3 ALA 1 H3 ALA 1 12.056 29.313 16.842 4 HA ALA 1 HA ALA 1 12.742 32.110 17.405 5 HB1 ALA 1 HB1 ALA 1 13.329 31.280 19.678 6 HB2 ALA 1 HB2 ALA 1 11.614 31.090 19.311 7 HB3 ALA 1 HB3 ALA 1 12.699 29.685 19.256 8 H PHE 2 H PHE 2 14.998 32.313 18.273 9 HA PHE 2 HA PHE 2 16.948 30.988 16.543 10 HB2 PHE 2 HB2 PHE 2 17.344 32.753 18.984 11 HB3 PHE 2 HB3 PHE 2 18.569 32.337 17.791 12 HD1 PHE 2 HD1 PHE 2 16.316 34.846 18.799 13 HD2 PHE 2 HD2 PHE 2 17.914 32.977 15.252 14 HE1 PHE 2 HE1 PHE 2 15.711 36.847 17.469 15 HE2 PHE 2 HE2 PHE 2 17.335 34.998 13.935 16 HZ PHE 2 HZ PHE 2 16.213 36.930 15.042 17 H CYS 3 H CYS 3 18.835 29.804 17.414 18 HA CYS 3 HA CYS 3 18.058 27.733 19.268 19 HB2 CYS 3 HB2 CYS 3 20.311 26.857 18.920 20 HB3 CYS 3 HB3 CYS 3 19.495 27.240 17.427 21 H ASN 4 H ASN 4 18.515 27.417 21.357 22 HA ASN 4 HA ASN 4 19.057 29.732 23.033 23 HB2 ASN 4 HB2 ASN 4 18.298 26.840 23.633 24 HB3 ASN 4 HB3 ASN 4 18.536 28.073 24.867 25 HD21 ASN 4 HD21 ASN 4 15.161 28.285 22.573 26 HD22 ASN 4 HD22 ASN 4 16.465 27.178 22.100 27 H LEU 5 H LEU 5 21.275 29.762 21.887 28 HA LEU 5 HA LEU 5 23.345 27.976 22.509 29 HB2 LEU 5 HB2 LEU 5 23.423 29.589 20.684 30 HB3 LEU 5 HB3 LEU 5 23.406 30.938 21.827 31 HG LEU 5 HG LEU 5 25.643 30.288 22.662 32 HD11 LEU 5 HD11 LEU 5 25.648 27.863 22.273 33 HD12 LEU 5 HD12 LEU 5 25.529 28.132 20.515 34 HD13 LEU 5 HD13 LEU 5 26.987 28.615 21.401 35 HD21 LEU 5 HD21 LEU 5 26.909 30.913 20.659 36 HD22 LEU 5 HD22 LEU 5 25.515 30.517 19.634 37 HD23 LEU 5 HD23 LEU 5 25.419 31.871 20.781 38 H ARG 6 H ARG 6 22.327 30.861 24.435 39 HA ARG 6 HA ARG 6 24.536 30.723 26.299 40 HB2 ARG 6 HB2 ARG 6 23.077 32.694 25.917 41 HB3 ARG 6 HB3 ARG 6 21.804 31.882 26.843 42 HG2 ARG 6 HG2 ARG 6 23.315 31.704 28.789 43 HG3 ARG 6 HG3 ARG 6 24.631 32.465 27.882 44 HD2 ARG 6 HD2 ARG 6 21.933 33.773 28.285 45 HD3 ARG 6 HD3 ARG 6 23.241 33.911 29.472 46 HE ARG 6 HE ARG 6 24.515 34.709 27.213 47 HH11 ARG 6 HH11 ARG 6 21.632 35.904 28.891 48 HH12 ARG 6 HH12 ARG 6 21.929 37.530 28.312 49 HH21 ARG 6 HH21 ARG 6 24.569 36.829 26.347 50 HH22 ARG 6 HH22 ARG 6 23.424 37.996 26.984 51 H ARG 7 H ARG 7 21.220 29.331 26.564 52 HA ARG 7 HA ARG 7 21.770 27.948 29.073 53 HB2 ARG 7 HB2 ARG 7 19.664 27.467 26.920 54 HB3 ARG 7 HB3 ARG 7 19.765 26.558 28.438 55 HG2 ARG 7 HG2 ARG 7 19.602 28.711 29.710 56 HG3 ARG 7 HG3 ARG 7 19.318 29.559 28.179 57 HD2 ARG 7 HD2 ARG 7 17.288 28.182 27.793 58 HD3 ARG 7 HD3 ARG 7 17.607 27.308 29.311 59 HE ARG 7 HE ARG 7 17.575 30.037 29.964 60 HH11 ARG 7 HH11 ARG 7 15.142 27.647 29.117 61 HH12 ARG 7 HH12 ARG 7 13.863 28.681 29.712 62 HH21 ARG 7 HH21 ARG 7 15.979 31.177 30.739 63 HH22 ARG 7 HH22 ARG 7 14.312 30.671 30.510 64 H CYS 8 H CYS 8 22.246 27.024 25.701 65 HA CYS 8 HA CYS 8 23.030 24.296 26.203 66 HB2 CYS 8 HB2 CYS 8 22.432 25.071 23.996 67 HB3 CYS 8 HB3 CYS 8 23.680 26.307 24.037 68 H GLU 9 H GLU 9 25.069 27.379 25.927 69 HA GLU 9 HA GLU 9 27.544 26.129 26.250 70 HB2 GLU 9 HB2 GLU 9 27.273 28.203 25.160 71 HB3 GLU 9 HB3 GLU 9 26.203 28.831 26.402 72 HG2 GLU 9 HG2 GLU 9 28.118 30.029 26.497 73 HG3 GLU 9 HG3 GLU 9 27.920 29.069 27.957 74 H LEU 10 H LEU 10 25.292 27.589 28.670 75 HA LEU 10 HA LEU 10 27.146 27.110 30.855 76 HB2 LEU 10 HB2 LEU 10 25.587 27.948 32.292 77 HB3 LEU 10 HB3 LEU 10 25.269 28.777 30.772 78 HG LEU 10 HG LEU 10 23.406 26.931 30.492 79 HD11 LEU 10 HD11 LEU 10 24.016 25.617 32.543 80 HD12 LEU 10 HD12 LEU 10 23.692 27.051 33.526 81 HD13 LEU 10 HD13 LEU 10 22.376 26.268 32.624 82 HD21 LEU 10 HD21 LEU 10 22.988 29.350 30.708 83 HD22 LEU 10 HD22 LEU 10 21.802 28.412 31.633 84 HD23 LEU 10 HD23 LEU 10 23.140 29.223 32.473 85 H SER 11 H SER 11 24.568 25.123 29.429 86 HA SER 11 HA SER 11 24.802 22.936 31.286 87 HB2 SER 11 HB2 SER 11 22.952 23.374 29.582 88 HB3 SER 11 HB3 SER 11 24.060 22.730 28.354 89 HG SER 11 HG SER 11 22.837 21.488 30.563 90 H CYS 12 H CYS 12 26.632 23.749 28.328 91 HA CYS 12 HA CYS 12 28.281 21.368 28.415 92 HB2 CYS 12 HB2 CYS 12 28.812 24.002 27.027 93 HB3 CYS 12 HB3 CYS 12 29.550 22.438 26.662 94 H ARG 13 H ARG 13 28.601 24.641 29.800 95 HA ARG 13 HA ARG 13 31.250 24.504 30.816 96 HB2 ARG 13 HB2 ARG 13 29.474 26.445 30.840 97 HB3 ARG 13 HB3 ARG 13 28.916 25.724 32.334 98 HG2 ARG 13 HG2 ARG 13 30.329 27.423 33.030 99 HG3 ARG 13 HG3 ARG 13 31.293 25.967 33.241 100 HD2 ARG 13 HD2 ARG 13 32.633 27.806 32.293 101 HD3 ARG 13 HD3 ARG 13 32.528 26.457 31.163 102 HE ARG 13 HE ARG 13 31.341 27.752 29.665 103 HH11 ARG 13 HH11 ARG 13 31.290 29.599 32.723 104 HH12 ARG 13 HH12 ARG 13 30.625 30.984 31.873 105 HH21 ARG 13 HH21 ARG 13 30.484 29.658 28.818 106 HH22 ARG 13 HH22 ARG 13 30.123 30.983 29.938 107 H SER 14 H SER 14 28.206 23.291 32.247 108 HA SER 14 HA SER 14 29.269 22.121 34.576 109 HB2 SER 14 HB2 SER 14 26.938 21.165 32.881 110 HB3 SER 14 HB3 SER 14 27.255 20.718 34.576 111 HG SER 14 HG SER 14 25.759 22.592 34.034 112 H LEU 15 H LEU 15 29.584 20.928 31.250 113 HA LEU 15 HA LEU 15 30.682 18.322 32.148 114 HB2 LEU 15 HB2 LEU 15 30.781 19.399 29.334 115 HB3 LEU 15 HB3 LEU 15 30.834 17.728 29.874 116 HG LEU 15 HG LEU 15 28.461 19.586 29.723 117 HD11 LEU 15 HD11 LEU 15 29.205 18.619 27.603 118 HD12 LEU 15 HD12 LEU 15 29.064 16.985 28.293 119 HD13 LEU 15 HD13 LEU 15 27.618 17.994 28.079 120 HD21 LEU 15 HD21 LEU 15 28.564 16.700 30.753 121 HD22 LEU 15 HD22 LEU 15 28.151 18.127 31.725 122 HD23 LEU 15 HD23 LEU 15 27.074 17.605 30.427 123 H GLY 16 H GLY 16 31.837 21.504 31.639 124 HA2 GLY 16 HA2 GLY 16 34.024 22.327 31.846 125 HA3 GLY 16 HA3 GLY 16 34.685 20.699 31.686 126 H LEU 17 H LEU 17 32.356 22.106 29.319 127 HA LEU 17 HA LEU 17 34.518 22.875 27.491 128 HB2 LEU 17 HB2 LEU 17 33.549 21.375 25.658 129 HB3 LEU 17 HB3 LEU 17 34.621 20.669 26.837 130 HG LEU 17 HG LEU 17 31.764 20.455 27.625 131 HD11 LEU 17 HD11 LEU 17 31.113 18.794 26.071 132 HD12 LEU 17 HD12 LEU 17 31.585 20.261 25.175 133 HD13 LEU 17 HD13 LEU 17 32.682 18.867 25.214 134 HD21 LEU 17 HD21 LEU 17 32.453 18.092 28.001 135 HD22 LEU 17 HD22 LEU 17 33.967 18.406 27.135 136 HD23 LEU 17 HD23 LEU 17 33.669 19.187 28.695 137 H LEU 18 H LEU 18 33.661 23.561 25.290 138 HA LEU 18 HA LEU 18 31.729 25.708 25.751 139 HB2 LEU 18 HB2 LEU 18 33.509 24.773 23.514 140 HB3 LEU 18 HB3 LEU 18 32.242 25.925 23.143 141 HG LEU 18 HG LEU 18 34.135 26.500 25.425 142 HD11 LEU 18 HD11 LEU 18 35.578 25.957 23.498 143 HD12 LEU 18 HD12 LEU 18 34.656 27.101 22.490 144 HD13 LEU 18 HD13 LEU 18 35.623 27.693 23.872 145 HD21 LEU 18 HD21 LEU 18 32.185 27.972 25.119 146 HD22 LEU 18 HD22 LEU 18 33.682 28.840 24.761 147 HD23 LEU 18 HD23 LEU 18 32.653 28.271 23.431 148 H GLY 19 H GLY 19 29.785 26.026 24.806 149 HA2 GLY 19 HA2 GLY 19 28.432 23.739 23.406 150 HA3 GLY 19 HA3 GLY 19 27.629 25.133 24.123 151 H LYS 20 H LYS 20 27.813 23.881 21.281 152 HA LYS 20 HA LYS 20 28.206 26.443 19.791 153 HB2 LYS 20 HB2 LYS 20 30.231 24.917 19.649 154 HB3 LYS 20 HB3 LYS 20 29.205 23.737 18.825 155 HG2 LYS 20 HG2 LYS 20 28.680 25.519 17.094 156 HG3 LYS 20 HG3 LYS 20 29.845 26.580 17.890 157 HD2 LYS 20 HD2 LYS 20 30.473 23.849 16.682 158 HD3 LYS 20 HD3 LYS 20 30.729 25.405 15.876 159 HE2 LYS 20 HE2 LYS 20 32.355 26.087 17.578 160 HE3 LYS 20 HE3 LYS 20 32.088 24.590 18.479 161 HZ1 LYS 20 HZ1 LYS 20 33.141 24.707 15.698 162 HZ2 LYS 20 HZ2 LYS 20 34.052 24.424 17.039 163 HZ3 LYS 20 HZ3 LYS 20 32.927 23.344 16.581 164 H CYS 21 H CYS 21 26.548 26.963 18.583 165 HA CYS 21 HA CYS 21 24.376 25.023 17.997 166 HB2 CYS 21 HB2 CYS 21 23.666 27.087 18.965 167 HB3 CYS 21 HB3 CYS 21 24.603 28.030 17.802 168 H ILE 22 H ILE 22 24.381 23.938 16.177 169 HA ILE 22 HA ILE 22 25.085 25.251 13.611 170 HB ILE 22 HB ILE 22 26.274 22.589 14.483 171 HG12 ILE 22 HG12 ILE 22 27.567 25.170 13.478 172 HG13 ILE 22 HG13 ILE 22 27.567 24.595 15.148 173 HG21 ILE 22 HG21 ILE 22 27.105 22.332 12.173 174 HG22 ILE 22 HG22 ILE 22 25.368 22.354 12.183 175 HG23 ILE 22 HG23 ILE 22 26.253 23.816 11.683 176 HD11 ILE 22 HD11 ILE 22 28.870 22.607 14.492 177 HD12 ILE 22 HD12 ILE 22 28.990 23.250 12.833 178 HD13 ILE 22 HD13 ILE 22 29.708 24.138 14.175 179 H GLY 23 H GLY 23 23.526 24.813 12.092 180 HA2 GLY 23 HA2 GLY 23 21.682 23.829 11.108 181 HA3 GLY 23 HA3 GLY 23 22.030 22.354 12.024 182 H GLU 24 H GLU 24 21.202 25.631 13.206 183 HA GLU 24 HA GLU 24 19.620 26.403 14.628 184 HB2 GLU 24 HB2 GLU 24 17.667 24.301 13.720 185 HB3 GLU 24 HB3 GLU 24 17.353 25.961 14.172 186 HG2 GLU 24 HG2 GLU 24 18.624 24.973 11.581 187 HG3 GLU 24 HG3 GLU 24 16.996 25.573 11.812 188 H GLU 25 H GLU 25 21.098 23.701 15.523 189 HA GLU 25 HA GLU 25 19.772 23.772 18.162 190 HB2 GLU 25 HB2 GLU 25 19.633 21.379 18.364 191 HB3 GLU 25 HB3 GLU 25 18.669 21.959 17.021 192 HG2 GLU 25 HG2 GLU 25 20.598 21.254 15.477 193 HG3 GLU 25 HG3 GLU 25 21.319 20.465 16.884 194 H CYS 26 H CYS 26 21.046 23.060 19.917 195 HA CYS 26 HA CYS 26 23.924 23.497 19.316 196 HB2 CYS 26 HB2 CYS 26 22.649 25.270 20.405 197 HB3 CYS 26 HB3 CYS 26 22.367 24.214 21.783 198 H LYS 27 H LYS 27 25.547 22.489 20.125 199 HA LYS 27 HA LYS 27 25.197 19.991 21.743 200 HB2 LYS 27 HB2 LYS 27 25.080 19.574 19.279 201 HB3 LYS 27 HB3 LYS 27 26.653 20.354 19.094 202 HG2 LYS 27 HG2 LYS 27 27.661 18.572 20.540 203 HG3 LYS 27 HG3 LYS 27 26.090 17.751 20.569 204 HD2 LYS 27 HD2 LYS 27 27.701 18.429 18.060 205 HD3 LYS 27 HD3 LYS 27 27.713 16.862 18.879 206 HE2 LYS 27 HE2 LYS 27 25.330 16.541 18.429 207 HE3 LYS 27 HE3 LYS 27 25.214 18.136 17.674 208 HZ1 LYS 27 HZ1 LYS 27 26.656 17.428 15.927 209 HZ2 LYS 27 HZ2 LYS 27 27.005 15.998 16.656 210 HZ3 LYS 27 HZ3 LYS 27 25.494 16.290 16.065 211 H CYS 28 H CYS 28 27.095 19.358 22.934 212 HA CYS 28 HA CYS 28 28.925 21.610 23.462 213 HB2 CYS 28 HB2 CYS 28 28.785 18.991 24.953 214 HB3 CYS 28 HB3 CYS 28 29.522 20.497 25.452 215 H VAL 29 H VAL 29 31.105 21.641 23.081 216 HA VAL 29 HA VAL 29 32.473 19.251 21.995 217 HB VAL 29 HB VAL 29 33.419 20.756 20.166 218 HG11 VAL 29 HG11 VAL 29 31.709 20.026 18.587 219 HG12 VAL 29 HG12 VAL 29 32.024 18.754 19.773 220 HG13 VAL 29 HG13 VAL 29 30.556 19.754 19.900 221 HG21 VAL 29 HG21 VAL 29 32.266 22.866 20.936 222 HG22 VAL 29 HG22 VAL 29 32.013 22.453 19.230 223 HG23 VAL 29 HG23 VAL 29 30.728 22.154 20.421 224 H TYR 30 H TYR 30 34.322 18.996 22.741 225 HA TYR 30 HA TYR 30 35.706 20.575 24.636 226 HB2 TYR 30 HB2 TYR 30 36.526 18.273 22.837 227 HB3 TYR 30 HB3 TYR 30 37.690 19.069 23.867 228 HD1 TYR 30 HD1 TYR 30 37.519 19.037 26.321 229 HD2 TYR 30 HD2 TYR 30 34.913 16.689 23.815 230 HE1 TYR 30 HE1 TYR 30 36.999 17.548 28.250 231 HE2 TYR 30 HE2 TYR 30 34.398 15.200 25.743 232 HH TYR 30 HH TYR 30 35.102 14.594 27.875 Start of MODEL 3 1 H1 ALA 1 H1 ALA 1 13.765 24.007 16.469 2 H2 ALA 1 H2 ALA 1 13.601 25.120 15.258 3 H3 ALA 1 H3 ALA 1 12.302 24.693 16.165 4 HA ALA 1 HA ALA 1 13.034 26.830 16.827 5 HB1 ALA 1 HB1 ALA 1 13.755 24.726 18.918 6 HB2 ALA 1 HB2 ALA 1 13.400 26.438 19.224 7 HB3 ALA 1 HB3 ALA 1 12.135 25.372 18.593 8 H PHE 2 H PHE 2 14.643 28.226 16.591 9 HA PHE 2 HA PHE 2 17.147 27.236 15.620 10 HB2 PHE 2 HB2 PHE 2 16.294 30.068 16.315 11 HB3 PHE 2 HB3 PHE 2 17.722 29.635 15.390 12 HD1 PHE 2 HD1 PHE 2 17.166 27.836 13.371 13 HD2 PHE 2 HD2 PHE 2 14.478 30.799 14.996 14 HE1 PHE 2 HE1 PHE 2 15.852 27.805 11.255 15 HE2 PHE 2 HE2 PHE 2 13.187 30.794 12.868 16 HZ PHE 2 HZ PHE 2 13.861 29.276 11.017 17 H CYS 3 H CYS 3 19.196 27.507 16.272 18 HA CYS 3 HA CYS 3 19.870 26.515 18.746 19 HB2 CYS 3 HB2 CYS 3 21.248 26.434 16.727 20 HB3 CYS 3 HB3 CYS 3 21.460 28.186 16.785 21 H ASN 4 H ASN 4 20.106 27.271 20.763 22 HA ASN 4 HA ASN 4 20.399 30.225 21.240 23 HB2 ASN 4 HB2 ASN 4 18.410 28.254 22.253 24 HB3 ASN 4 HB3 ASN 4 19.103 29.332 23.465 25 HD21 ASN 4 HD21 ASN 4 17.309 31.374 20.402 26 HD22 ASN 4 HD22 ASN 4 18.190 29.910 19.987 27 H LEU 5 H LEU 5 22.355 30.600 21.876 28 HA LEU 5 HA LEU 5 24.115 28.529 22.804 29 HB2 LEU 5 HB2 LEU 5 24.424 31.525 22.389 30 HB3 LEU 5 HB3 LEU 5 25.727 30.447 22.818 31 HG LEU 5 HG LEU 5 25.913 30.985 20.556 32 HD11 LEU 5 HD11 LEU 5 24.839 28.136 20.679 33 HD12 LEU 5 HD12 LEU 5 25.988 28.802 19.504 34 HD13 LEU 5 HD13 LEU 5 26.461 28.654 21.204 35 HD21 LEU 5 HD21 LEU 5 23.537 31.563 20.057 36 HD22 LEU 5 HD22 LEU 5 24.341 30.597 18.811 37 HD23 LEU 5 HD23 LEU 5 23.188 29.819 19.898 38 H ARG 6 H ARG 6 22.962 31.591 24.366 39 HA ARG 6 HA ARG 6 24.634 31.302 26.658 40 HB2 ARG 6 HB2 ARG 6 21.906 32.659 26.687 41 HB3 ARG 6 HB3 ARG 6 23.236 32.927 27.802 42 HG2 ARG 6 HG2 ARG 6 23.109 33.700 24.880 43 HG3 ARG 6 HG3 ARG 6 23.052 34.783 26.251 44 HD2 ARG 6 HD2 ARG 6 25.468 33.087 25.491 45 HD3 ARG 6 HD3 ARG 6 25.236 34.760 25.024 46 HE ARG 6 HE ARG 6 26.014 33.753 27.678 47 HH11 ARG 6 HH11 ARG 6 24.784 36.664 26.037 48 HH12 ARG 6 HH12 ARG 6 25.663 37.673 27.181 49 HH21 ARG 6 HH21 ARG 6 27.159 35.196 28.861 50 HH22 ARG 6 HH22 ARG 6 26.835 36.934 28.676 51 H ARG 7 H ARG 7 21.332 30.083 26.239 52 HA ARG 7 HA ARG 7 21.101 28.763 28.829 53 HB2 ARG 7 HB2 ARG 7 19.696 28.566 26.139 54 HB3 ARG 7 HB3 ARG 7 19.296 27.455 27.425 55 HG2 ARG 7 HG2 ARG 7 19.056 30.491 27.620 56 HG3 ARG 7 HG3 ARG 7 17.745 29.386 27.219 57 HD2 ARG 7 HD2 ARG 7 19.201 29.634 29.871 58 HD3 ARG 7 HD3 ARG 7 17.508 29.987 29.535 59 HE ARG 7 HE ARG 7 18.657 27.435 30.229 60 HH11 ARG 7 HH11 ARG 7 15.740 28.746 28.718 61 HH12 ARG 7 HH12 ARG 7 15.066 27.143 28.585 62 HH21 ARG 7 HH21 ARG 7 17.834 25.501 29.675 63 HH22 ARG 7 HH22 ARG 7 16.154 25.404 29.149 64 H CYS 8 H CYS 8 22.466 27.706 25.755 65 HA CYS 8 HA CYS 8 22.681 24.879 26.494 66 HB2 CYS 8 HB2 CYS 8 22.381 25.594 24.191 67 HB3 CYS 8 HB3 CYS 8 23.818 26.606 24.274 68 H GLU 9 H GLU 9 24.973 27.644 26.311 69 HA GLU 9 HA GLU 9 27.360 26.297 26.907 70 HB2 GLU 9 HB2 GLU 9 26.397 29.112 27.480 71 HB3 GLU 9 HB3 GLU 9 28.030 28.595 27.874 72 HG2 GLU 9 HG2 GLU 9 27.068 28.110 25.054 73 HG3 GLU 9 HG3 GLU 9 27.422 29.761 25.554 74 H LEU 10 H LEU 10 24.850 27.380 29.284 75 HA LEU 10 HA LEU 10 26.193 27.003 31.692 76 HB2 LEU 10 HB2 LEU 10 23.386 26.019 31.299 77 HB3 LEU 10 HB3 LEU 10 24.156 26.837 32.635 78 HG LEU 10 HG LEU 10 23.197 27.960 30.109 79 HD11 LEU 10 HD11 LEU 10 21.584 27.536 31.914 80 HD12 LEU 10 HD12 LEU 10 22.596 28.468 33.037 81 HD13 LEU 10 HD13 LEU 10 21.766 29.292 31.686 82 HD21 LEU 10 HD21 LEU 10 25.278 29.261 30.659 83 HD22 LEU 10 HD22 LEU 10 23.876 30.246 31.081 84 HD23 LEU 10 HD23 LEU 10 24.760 29.384 32.353 85 H SER 11 H SER 11 24.732 24.726 29.504 86 HA SER 11 HA SER 11 24.814 22.416 31.277 87 HB2 SER 11 HB2 SER 11 23.010 23.155 29.628 88 HB3 SER 11 HB3 SER 11 24.078 22.608 28.333 89 HG SER 11 HG SER 11 22.545 21.024 29.054 90 H CYS 12 H CYS 12 26.582 23.630 28.402 91 HA CYS 12 HA CYS 12 28.356 21.322 28.263 92 HB2 CYS 12 HB2 CYS 12 28.845 24.080 27.116 93 HB3 CYS 12 HB3 CYS 12 29.578 22.543 26.613 94 H ARG 13 H ARG 13 28.542 24.479 29.913 95 HA ARG 13 HA ARG 13 31.129 24.364 31.011 96 HB2 ARG 13 HB2 ARG 13 29.350 26.199 31.101 97 HB3 ARG 13 HB3 ARG 13 28.618 25.313 32.443 98 HG2 ARG 13 HG2 ARG 13 30.875 25.552 33.634 99 HG3 ARG 13 HG3 ARG 13 31.355 26.638 32.320 100 HD2 ARG 13 HD2 ARG 13 29.005 26.968 34.222 101 HD3 ARG 13 HD3 ARG 13 30.509 27.904 34.245 102 HE ARG 13 HE ARG 13 29.583 28.460 31.749 103 HH11 ARG 13 HH11 ARG 13 27.874 28.611 34.875 104 HH12 ARG 13 HH12 ARG 13 26.968 30.000 34.358 105 HH21 ARG 13 HH21 ARG 13 28.211 30.131 31.182 106 HH22 ARG 13 HH22 ARG 13 27.038 30.739 32.305 107 H SER 14 H SER 14 28.179 22.664 32.114 108 HA SER 14 HA SER 14 29.339 21.478 34.446 109 HB2 SER 14 HB2 SER 14 27.424 20.201 34.621 110 HB3 SER 14 HB3 SER 14 26.842 21.635 33.760 111 HG SER 14 HG SER 14 26.927 20.432 31.815 112 H LEU 15 H LEU 15 29.911 20.712 31.119 113 HA LEU 15 HA LEU 15 31.094 18.056 31.721 114 HB2 LEU 15 HB2 LEU 15 31.119 19.446 29.070 115 HB3 LEU 15 HB3 LEU 15 31.226 17.721 29.415 116 HG LEU 15 HG LEU 15 28.771 19.494 29.539 117 HD11 LEU 15 HD11 LEU 15 28.004 18.119 27.646 118 HD12 LEU 15 HD12 LEU 15 29.484 19.022 27.296 119 HD13 LEU 15 HD13 LEU 15 29.574 17.283 27.643 120 HD21 LEU 15 HD21 LEU 15 27.481 17.395 29.901 121 HD22 LEU 15 HD22 LEU 15 29.001 16.483 30.004 122 HD23 LEU 15 HD23 LEU 15 28.588 17.681 31.251 123 H GLY 16 H GLY 16 31.991 21.391 31.289 124 HA2 GLY 16 HA2 GLY 16 34.089 22.413 31.502 125 HA3 GLY 16 HA3 GLY 16 34.891 20.835 31.466 126 H LEU 17 H LEU 17 32.550 22.184 29.075 127 HA LEU 17 HA LEU 17 34.650 22.929 27.190 128 HB2 LEU 17 HB2 LEU 17 33.581 21.496 25.361 129 HB3 LEU 17 HB3 LEU 17 34.729 20.754 26.449 130 HG LEU 17 HG LEU 17 31.913 20.474 27.350 131 HD11 LEU 17 HD11 LEU 17 31.226 18.856 25.733 132 HD12 LEU 17 HD12 LEU 17 31.586 20.404 24.936 133 HD13 LEU 17 HD13 LEU 17 32.737 19.056 24.806 134 HD21 LEU 17 HD21 LEU 17 32.627 18.088 27.548 135 HD22 LEU 17 HD22 LEU 17 34.118 18.468 26.679 136 HD23 LEU 17 HD23 LEU 17 33.835 19.157 28.295 137 H LEU 18 H LEU 18 33.624 23.638 25.022 138 HA LEU 18 HA LEU 18 31.640 25.695 25.656 139 HB2 LEU 18 HB2 LEU 18 33.185 24.903 23.170 140 HB3 LEU 18 HB3 LEU 18 31.959 26.165 23.129 141 HG LEU 18 HG LEU 18 34.335 26.254 24.997 142 HD11 LEU 18 HD11 LEU 18 33.877 27.525 22.254 143 HD12 LEU 18 HD12 LEU 18 35.260 27.866 23.315 144 HD13 LEU 18 HD13 LEU 18 35.042 26.247 22.641 145 HD21 LEU 18 HD21 LEU 18 33.784 28.687 25.092 146 HD22 LEU 18 HD22 LEU 18 32.305 28.356 24.154 147 HD23 LEU 18 HD23 LEU 18 32.517 27.673 25.775 148 H GLY 19 H GLY 19 29.818 26.108 24.573 149 HA2 GLY 19 HA2 GLY 19 28.376 23.861 23.172 150 HA3 GLY 19 HA3 GLY 19 27.576 25.133 24.095 151 H LYS 20 H LYS 20 27.918 24.171 21.040 152 HA LYS 20 HA LYS 20 27.452 26.855 19.940 153 HB2 LYS 20 HB2 LYS 20 29.093 26.664 18.135 154 HB3 LYS 20 HB3 LYS 20 29.804 26.877 19.728 155 HG2 LYS 20 HG2 LYS 20 30.485 24.550 19.808 156 HG3 LYS 20 HG3 LYS 20 29.566 24.179 18.337 157 HD2 LYS 20 HD2 LYS 20 31.893 24.370 17.745 158 HD3 LYS 20 HD3 LYS 20 31.011 25.736 17.049 159 HE2 LYS 20 HE2 LYS 20 31.847 27.229 18.827 160 HE3 LYS 20 HE3 LYS 20 32.612 25.857 19.645 161 HZ1 LYS 20 HZ1 LYS 20 34.231 27.075 18.316 162 HZ2 LYS 20 HZ2 LYS 20 34.049 25.561 17.737 163 HZ3 LYS 20 HZ3 LYS 20 33.358 26.813 16.932 164 H CYS 21 H CYS 21 26.777 26.785 17.610 165 HA CYS 21 HA CYS 21 24.605 24.899 17.498 166 HB2 CYS 21 HB2 CYS 21 25.555 26.871 15.407 167 HB3 CYS 21 HB3 CYS 21 23.956 26.145 15.526 168 H ILE 22 H ILE 22 24.288 23.060 16.350 169 HA ILE 22 HA ILE 22 25.890 22.533 13.916 170 HB ILE 22 HB ILE 22 25.545 20.368 16.019 171 HG12 ILE 22 HG12 ILE 22 28.051 21.951 15.306 172 HG13 ILE 22 HG13 ILE 22 27.211 21.940 16.862 173 HG21 ILE 22 HG21 ILE 22 26.890 19.019 14.491 174 HG22 ILE 22 HG22 ILE 22 25.560 19.688 13.566 175 HG23 ILE 22 HG23 ILE 22 27.167 20.414 13.427 176 HD11 ILE 22 HD11 ILE 22 29.136 20.582 17.108 177 HD12 ILE 22 HD12 ILE 22 27.744 19.476 17.047 178 HD13 ILE 22 HD13 ILE 22 28.797 19.681 15.624 179 H GLY 23 H GLY 23 24.219 22.647 12.465 180 HA2 GLY 23 HA2 GLY 23 22.290 22.023 11.352 181 HA3 GLY 23 HA3 GLY 23 22.129 20.664 12.464 182 H GLU 24 H GLU 24 21.956 24.210 12.926 183 HA GLU 24 HA GLU 24 20.482 25.591 13.890 184 HB2 GLU 24 HB2 GLU 24 18.276 23.759 12.963 185 HB3 GLU 24 HB3 GLU 24 18.148 25.473 13.319 186 HG2 GLU 24 HG2 GLU 24 19.655 24.218 10.996 187 HG3 GLU 24 HG3 GLU 24 18.087 24.999 10.927 188 H GLU 25 H GLU 25 21.266 23.079 15.568 189 HA GLU 25 HA GLU 25 19.825 24.109 17.924 190 HB2 GLU 25 HB2 GLU 25 18.585 22.055 17.198 191 HB3 GLU 25 HB3 GLU 25 20.069 21.121 17.402 192 HG2 GLU 25 HG2 GLU 25 20.076 21.775 19.835 193 HG3 GLU 25 HG3 GLU 25 18.570 22.648 19.581 194 H CYS 26 H CYS 26 21.100 23.963 19.871 195 HA CYS 26 HA CYS 26 23.944 24.040 19.375 196 HB2 CYS 26 HB2 CYS 26 22.693 25.547 20.897 197 HB3 CYS 26 HB3 CYS 26 22.414 24.188 21.977 198 H LYS 27 H LYS 27 25.590 22.796 20.174 199 HA LYS 27 HA LYS 27 25.093 20.270 21.644 200 HB2 LYS 27 HB2 LYS 27 25.138 19.978 19.020 201 HB3 LYS 27 HB3 LYS 27 26.839 20.375 19.158 202 HG2 LYS 27 HG2 LYS 27 26.857 18.045 19.148 203 HG3 LYS 27 HG3 LYS 27 27.000 18.417 20.858 204 HD2 LYS 27 HD2 LYS 27 25.422 16.635 20.656 205 HD3 LYS 27 HD3 LYS 27 24.472 18.085 21.039 206 HE2 LYS 27 HE2 LYS 27 23.895 18.361 18.654 207 HE3 LYS 27 HE3 LYS 27 24.922 16.986 18.222 208 HZ1 LYS 27 HZ1 LYS 27 23.427 15.536 19.426 209 HZ2 LYS 27 HZ2 LYS 27 22.497 16.809 19.930 210 HZ3 LYS 27 HZ3 LYS 27 22.593 16.391 18.336 211 H CYS 28 H CYS 28 26.913 19.642 22.913 212 HA CYS 28 HA CYS 28 28.907 21.756 23.295 213 HB2 CYS 28 HB2 CYS 28 28.739 19.164 24.818 214 HB3 CYS 28 HB3 CYS 28 29.514 20.666 25.286 215 H VAL 29 H VAL 29 31.105 21.653 22.872 216 HA VAL 29 HA VAL 29 32.341 19.171 21.844 217 HB VAL 29 HB VAL 29 33.311 20.448 19.890 218 HG11 VAL 29 HG11 VAL 29 30.327 19.937 19.715 219 HG12 VAL 29 HG12 VAL 29 31.502 19.942 18.388 220 HG13 VAL 29 HG13 VAL 29 31.590 18.688 19.635 221 HG21 VAL 29 HG21 VAL 29 32.609 22.752 20.548 222 HG22 VAL 29 HG22 VAL 29 32.085 22.285 18.924 223 HG23 VAL 29 HG23 VAL 29 30.919 22.280 20.264 224 H TYR 30 H TYR 30 34.449 18.957 22.254 225 HA TYR 30 HA TYR 30 35.782 20.460 24.239 226 HB2 TYR 30 HB2 TYR 30 36.893 18.554 22.145 227 HB3 TYR 30 HB3 TYR 30 37.821 19.184 23.489 228 HD1 TYR 30 HD1 TYR 30 35.611 16.590 22.417 229 HD2 TYR 30 HD2 TYR 30 37.043 18.684 25.891 230 HE1 TYR 30 HE1 TYR 30 34.831 14.706 23.863 231 HE2 TYR 30 HE2 TYR 30 36.346 16.776 27.326 232 HH TYR 30 HH TYR 30 35.474 14.650 27.374 Start of MODEL 4 1 H1 ALA 1 H1 ALA 1 12.751 31.498 14.506 2 H2 ALA 1 H2 ALA 1 12.863 33.089 14.878 3 H3 ALA 1 H3 ALA 1 11.541 32.235 15.337 4 HA ALA 1 HA ALA 1 13.075 32.674 17.168 5 HB1 ALA 1 HB1 ALA 1 11.522 30.762 17.274 6 HB2 ALA 1 HB2 ALA 1 12.733 29.731 16.472 7 HB3 ALA 1 HB3 ALA 1 13.058 30.410 18.085 8 H PHE 2 H PHE 2 15.103 32.638 18.006 9 HA PHE 2 HA PHE 2 17.359 31.995 16.179 10 HB2 PHE 2 HB2 PHE 2 17.343 33.394 18.872 11 HB3 PHE 2 HB3 PHE 2 18.691 33.285 17.758 12 HD1 PHE 2 HD1 PHE 2 15.966 35.321 18.804 13 HD2 PHE 2 HD2 PHE 2 18.298 34.267 15.332 14 HE1 PHE 2 HE1 PHE 2 15.261 37.428 17.694 15 HE2 PHE 2 HE2 PHE 2 17.579 36.368 14.214 16 HZ PHE 2 HZ PHE 2 16.049 37.944 15.390 17 H CYS 3 H CYS 3 19.220 30.788 16.864 18 HA CYS 3 HA CYS 3 18.800 28.416 18.332 19 HB2 CYS 3 HB2 CYS 3 20.551 28.647 16.668 20 HB3 CYS 3 HB3 CYS 3 21.335 29.906 17.623 21 H ASN 4 H ASN 4 19.038 27.800 20.387 22 HA ASN 4 HA ASN 4 19.058 29.850 22.471 23 HB2 ASN 4 HB2 ASN 4 18.535 26.857 22.508 24 HB3 ASN 4 HB3 ASN 4 18.331 27.936 23.894 25 HD21 ASN 4 HD21 ASN 4 15.439 27.822 21.065 26 HD22 ASN 4 HD22 ASN 4 16.937 26.899 20.835 27 H LEU 5 H LEU 5 21.477 30.174 21.755 28 HA LEU 5 HA LEU 5 23.421 28.265 22.375 29 HB2 LEU 5 HB2 LEU 5 23.642 30.155 20.811 30 HB3 LEU 5 HB3 LEU 5 23.710 31.280 22.151 31 HG LEU 5 HG LEU 5 25.841 30.411 22.895 32 HD11 LEU 5 HD11 LEU 5 25.660 28.005 22.372 33 HD12 LEU 5 HD12 LEU 5 25.647 28.373 20.630 34 HD13 LEU 5 HD13 LEU 5 27.090 28.695 21.608 35 HD21 LEU 5 HD21 LEU 5 25.844 32.086 21.094 36 HD22 LEU 5 HD22 LEU 5 27.197 30.960 20.888 37 HD23 LEU 5 HD23 LEU 5 25.763 30.798 19.869 38 H ARG 6 H ARG 6 22.514 31.064 24.509 39 HA ARG 6 HA ARG 6 24.555 30.650 26.403 40 HB2 ARG 6 HB2 ARG 6 23.007 32.645 26.193 41 HB3 ARG 6 HB3 ARG 6 21.746 31.684 26.949 42 HG2 ARG 6 HG2 ARG 6 22.555 33.039 28.642 43 HG3 ARG 6 HG3 ARG 6 23.286 31.482 28.998 44 HD2 ARG 6 HD2 ARG 6 24.683 33.739 27.476 45 HD3 ARG 6 HD3 ARG 6 24.752 33.585 29.224 46 HE ARG 6 HE ARG 6 26.269 32.075 27.270 47 HH11 ARG 6 HH11 ARG 6 24.998 31.783 30.590 48 HH12 ARG 6 HH12 ARG 6 26.321 30.697 31.002 49 HH21 ARG 6 HH21 ARG 6 28.003 30.923 28.139 50 HH22 ARG 6 HH22 ARG 6 27.809 30.185 29.735 51 H ARG 7 H ARG 7 21.302 29.221 26.446 52 HA ARG 7 HA ARG 7 21.601 27.698 28.895 53 HB2 ARG 7 HB2 ARG 7 19.769 27.346 26.488 54 HB3 ARG 7 HB3 ARG 7 19.658 26.382 27.968 55 HG2 ARG 7 HG2 ARG 7 19.202 28.389 29.311 56 HG3 ARG 7 HG3 ARG 7 19.425 29.416 27.886 57 HD2 ARG 7 HD2 ARG 7 17.063 29.150 28.191 58 HD3 ARG 7 HD3 ARG 7 17.555 28.230 26.760 59 HE ARG 7 HE ARG 7 17.456 26.684 29.276 60 HH11 ARG 7 HH11 ARG 7 15.482 27.634 26.496 61 HH12 ARG 7 HH12 ARG 7 14.361 26.316 26.822 62 HH21 ARG 7 HH21 ARG 7 15.990 25.174 29.568 63 HH22 ARG 7 HH22 ARG 7 14.578 25.083 28.506 64 H CYS 8 H CYS 8 22.456 26.970 25.559 65 HA CYS 8 HA CYS 8 23.234 24.210 26.053 66 HB2 CYS 8 HB2 CYS 8 22.646 25.132 23.842 67 HB3 CYS 8 HB3 CYS 8 24.023 26.207 23.916 68 H GLU 9 H GLU 9 25.168 27.222 25.630 69 HA GLU 9 HA GLU 9 27.708 26.290 26.263 70 HB2 GLU 9 HB2 GLU 9 26.306 28.950 26.590 71 HB3 GLU 9 HB3 GLU 9 27.969 28.775 27.097 72 HG2 GLU 9 HG2 GLU 9 27.327 27.796 24.325 73 HG3 GLU 9 HG3 GLU 9 27.237 29.537 24.615 74 H LEU 10 H LEU 10 25.317 27.539 28.671 75 HA LEU 10 HA LEU 10 27.129 27.185 30.895 76 HB2 LEU 10 HB2 LEU 10 25.427 27.930 32.251 77 HB3 LEU 10 HB3 LEU 10 25.147 28.710 30.714 78 HG LEU 10 HG LEU 10 23.424 26.748 30.330 79 HD11 LEU 10 HD11 LEU 10 23.546 26.923 33.381 80 HD12 LEU 10 HD12 LEU 10 22.306 26.070 32.433 81 HD13 LEU 10 HD13 LEU 10 23.975 25.490 32.437 82 HD21 LEU 10 HD21 LEU 10 22.913 29.042 32.277 83 HD22 LEU 10 HD22 LEU 10 22.848 29.146 30.507 84 HD23 LEU 10 HD23 LEU 10 21.670 28.149 31.376 85 H SER 11 H SER 11 24.850 25.014 29.349 86 HA SER 11 HA SER 11 24.989 22.938 31.399 87 HB2 SER 11 HB2 SER 11 23.124 23.394 29.691 88 HB3 SER 11 HB3 SER 11 24.157 22.579 28.502 89 HG SER 11 HG SER 11 22.845 21.650 30.793 90 H CYS 12 H CYS 12 26.641 23.579 28.292 91 HA CYS 12 HA CYS 12 28.314 21.254 28.286 92 HB2 CYS 12 HB2 CYS 12 28.903 24.010 27.143 93 HB3 CYS 12 HB3 CYS 12 29.610 22.484 26.631 94 H ARG 13 H ARG 13 28.728 24.500 29.771 95 HA ARG 13 HA ARG 13 31.312 24.078 30.849 96 HB2 ARG 13 HB2 ARG 13 30.048 26.253 30.656 97 HB3 ARG 13 HB3 ARG 13 29.068 25.772 32.027 98 HG2 ARG 13 HG2 ARG 13 30.871 27.366 32.611 99 HG3 ARG 13 HG3 ARG 13 30.964 25.865 33.529 100 HD2 ARG 13 HD2 ARG 13 33.190 26.725 32.749 101 HD3 ARG 13 HD3 ARG 13 32.815 25.075 32.236 102 HE ARG 13 HE ARG 13 32.245 27.316 30.343 103 HH11 ARG 13 HH11 ARG 13 34.622 24.789 31.064 104 HH12 ARG 13 HH12 ARG 13 34.949 24.613 29.341 105 HH21 ARG 13 HH21 ARG 13 32.556 26.712 28.261 106 HH22 ARG 13 HH22 ARG 13 33.944 25.686 27.893 107 H SER 14 H SER 14 28.194 22.920 32.137 108 HA SER 14 HA SER 14 29.181 22.016 34.675 109 HB2 SER 14 HB2 SER 14 27.038 20.694 32.978 110 HB3 SER 14 HB3 SER 14 27.253 20.561 34.729 111 HG SER 14 HG SER 14 26.752 22.757 34.933 112 H LEU 15 H LEU 15 29.401 20.562 31.417 113 HA LEU 15 HA LEU 15 30.668 18.088 32.374 114 HB2 LEU 15 HB2 LEU 15 30.858 19.226 29.590 115 HB3 LEU 15 HB3 LEU 15 30.996 17.547 30.088 116 HG LEU 15 HG LEU 15 28.479 19.243 29.926 117 HD11 LEU 15 HD11 LEU 15 29.378 16.843 28.322 118 HD12 LEU 15 HD12 LEU 15 27.852 17.735 28.137 119 HD13 LEU 15 HD13 LEU 15 29.385 18.534 27.776 120 HD21 LEU 15 HD21 LEU 15 28.805 16.322 30.758 121 HD22 LEU 15 HD22 LEU 15 28.230 17.641 31.800 122 HD23 LEU 15 HD23 LEU 15 27.257 17.122 30.415 123 H GLY 16 H GLY 16 31.652 21.192 31.015 124 HA2 GLY 16 HA2 GLY 16 33.794 22.211 31.723 125 HA3 GLY 16 HA3 GLY 16 34.565 20.639 31.512 126 H LEU 17 H LEU 17 32.172 21.532 29.107 127 HA LEU 17 HA LEU 17 34.338 22.183 27.163 128 HB2 LEU 17 HB2 LEU 17 32.019 21.154 25.802 129 HB3 LEU 17 HB3 LEU 17 33.696 20.670 25.687 130 HG LEU 17 HG LEU 17 31.787 19.718 27.763 131 HD11 LEU 17 HD11 LEU 17 32.514 18.279 25.206 132 HD12 LEU 17 HD12 LEU 17 31.530 17.629 26.548 133 HD13 LEU 17 HD13 LEU 17 30.943 18.997 25.625 134 HD21 LEU 17 HD21 LEU 17 34.280 19.337 28.279 135 HD22 LEU 17 HD22 LEU 17 33.368 17.832 28.114 136 HD23 LEU 17 HD23 LEU 17 34.378 18.413 26.778 137 H LEU 18 H LEU 18 33.335 23.160 25.178 138 HA LEU 18 HA LEU 18 31.771 25.600 25.937 139 HB2 LEU 18 HB2 LEU 18 33.556 24.868 23.602 140 HB3 LEU 18 HB3 LEU 18 32.380 26.165 23.431 141 HG LEU 18 HG LEU 18 34.274 26.201 25.783 142 HD11 LEU 18 HD11 LEU 18 34.893 27.240 22.997 143 HD12 LEU 18 HD12 LEU 18 35.856 27.549 24.466 144 HD13 LEU 18 HD13 LEU 18 35.717 25.903 23.832 145 HD21 LEU 18 HD21 LEU 18 34.000 28.641 25.550 146 HD22 LEU 18 HD22 LEU 18 32.920 28.387 24.158 147 HD23 LEU 18 HD23 LEU 18 32.450 27.829 25.775 148 H GLY 19 H GLY 19 30.008 26.230 24.565 149 HA2 GLY 19 HA2 GLY 19 28.609 23.945 23.180 150 HA3 GLY 19 HA3 GLY 19 27.765 25.233 24.006 151 H LYS 20 H LYS 20 27.766 24.302 21.107 152 HA LYS 20 HA LYS 20 28.163 26.963 19.820 153 HB2 LYS 20 HB2 LYS 20 30.267 25.666 19.536 154 HB3 LYS 20 HB3 LYS 20 29.344 24.368 18.757 155 HG2 LYS 20 HG2 LYS 20 28.702 25.914 16.924 156 HG3 LYS 20 HG3 LYS 20 29.510 27.248 17.757 157 HD2 LYS 20 HD2 LYS 20 30.874 26.445 15.929 158 HD3 LYS 20 HD3 LYS 20 31.689 26.142 17.472 159 HE2 LYS 20 HE2 LYS 20 31.012 23.778 17.407 160 HE3 LYS 20 HE3 LYS 20 30.052 24.060 15.944 161 HZ1 LYS 20 HZ1 LYS 20 32.983 24.469 16.092 162 HZ2 LYS 20 HZ2 LYS 20 32.279 23.106 15.514 163 HZ3 LYS 20 HZ3 LYS 20 32.036 24.527 14.729 164 H CYS 21 H CYS 21 26.693 27.494 18.319 165 HA CYS 21 HA CYS 21 24.332 25.859 17.974 166 HB2 CYS 21 HB2 CYS 21 25.280 28.496 16.840 167 HB3 CYS 21 HB3 CYS 21 23.762 27.743 16.331 168 H ILE 22 H ILE 22 23.859 24.451 16.444 169 HA ILE 22 HA ILE 22 25.125 24.477 13.784 170 HB ILE 22 HB ILE 22 26.610 23.163 15.140 171 HG12 ILE 22 HG12 ILE 22 24.876 21.414 13.358 172 HG13 ILE 22 HG13 ILE 22 26.193 22.476 12.843 173 HG21 ILE 22 HG21 ILE 22 24.341 21.295 15.943 174 HG22 ILE 22 HG22 ILE 22 26.039 21.218 16.435 175 HG23 ILE 22 HG23 ILE 22 25.039 22.533 17.006 176 HD11 ILE 22 HD11 ILE 22 27.741 21.133 14.328 177 HD12 ILE 22 HD12 ILE 22 26.408 19.983 14.564 178 HD13 ILE 22 HD13 ILE 22 27.073 20.243 12.938 179 H GLY 23 H GLY 23 23.484 24.487 12.400 180 HA2 GLY 23 HA2 GLY 23 21.555 23.908 11.306 181 HA3 GLY 23 HA3 GLY 23 21.466 22.443 12.290 182 H GLU 24 H GLU 24 21.360 25.829 13.436 183 HA GLU 24 HA GLU 24 19.994 26.958 14.803 184 HB2 GLU 24 HB2 GLU 24 17.676 25.398 13.638 185 HB3 GLU 24 HB3 GLU 24 17.596 26.922 14.512 186 HG2 GLU 24 HG2 GLU 24 19.058 26.612 11.855 187 HG3 GLU 24 HG3 GLU 24 17.377 27.063 12.017 188 H GLU 25 H GLU 25 20.658 23.904 15.378 189 HA GLU 25 HA GLU 25 19.469 23.896 18.108 190 HB2 GLU 25 HB2 GLU 25 20.629 21.568 16.516 191 HB3 GLU 25 HB3 GLU 25 19.923 21.496 18.124 192 HG2 GLU 25 HG2 GLU 25 18.478 22.056 15.516 193 HG3 GLU 25 HG3 GLU 25 18.326 20.640 16.546 194 H CYS 26 H CYS 26 21.382 22.366 19.402 195 HA CYS 26 HA CYS 26 24.008 23.598 18.875 196 HB2 CYS 26 HB2 CYS 26 22.782 25.217 20.245 197 HB3 CYS 26 HB3 CYS 26 22.500 23.987 21.480 198 H LYS 27 H LYS 27 25.751 22.593 19.853 199 HA LYS 27 HA LYS 27 25.273 20.265 21.606 200 HB2 LYS 27 HB2 LYS 27 26.426 18.667 20.404 201 HB3 LYS 27 HB3 LYS 27 25.461 19.453 19.163 202 HG2 LYS 27 HG2 LYS 27 27.482 20.825 18.541 203 HG3 LYS 27 HG3 LYS 27 28.422 19.933 19.753 204 HD2 LYS 27 HD2 LYS 27 26.979 18.560 17.452 205 HD3 LYS 27 HD3 LYS 27 28.644 19.140 17.335 206 HE2 LYS 27 HE2 LYS 27 29.381 17.699 19.140 207 HE3 LYS 27 HE3 LYS 27 27.716 17.184 19.485 208 HZ1 LYS 27 HZ1 LYS 27 29.041 16.687 16.873 209 HZ2 LYS 27 HZ2 LYS 27 29.017 15.576 18.086 210 HZ3 LYS 27 HZ3 LYS 27 27.635 16.075 17.361 211 H CYS 28 H CYS 28 27.175 19.552 22.730 212 HA CYS 28 HA CYS 28 28.987 21.798 23.347 213 HB2 CYS 28 HB2 CYS 28 28.769 19.149 24.750 214 HB3 CYS 28 HB3 CYS 28 29.566 20.611 25.323 215 H VAL 29 H VAL 29 31.171 21.756 23.118 216 HA VAL 29 HA VAL 29 32.567 19.422 21.949 217 HB VAL 29 HB VAL 29 33.607 20.935 20.237 218 HG11 VAL 29 HG11 VAL 29 30.628 20.471 19.903 219 HG12 VAL 29 HG12 VAL 29 31.817 20.669 18.612 220 HG13 VAL 29 HG13 VAL 29 31.897 19.250 19.662 221 HG21 VAL 29 HG21 VAL 29 31.202 22.745 20.730 222 HG22 VAL 29 HG22 VAL 29 32.878 23.155 21.145 223 HG23 VAL 29 HG23 VAL 29 32.425 22.907 19.454 224 H TYR 30 H TYR 30 34.703 19.247 22.465 225 HA TYR 30 HA TYR 30 35.747 20.894 24.693 226 HB2 TYR 30 HB2 TYR 30 36.231 18.909 25.382 227 HB3 TYR 30 HB3 TYR 30 35.724 18.148 23.885 228 HD1 TYR 30 HD1 TYR 30 37.301 17.509 22.199 229 HD2 TYR 30 HD2 TYR 30 38.493 19.785 25.636 230 HE1 TYR 30 HE1 TYR 30 39.620 17.421 21.437 231 HE2 TYR 30 HE2 TYR 30 40.817 19.730 24.901 232 HH TYR 30 HH TYR 30 41.748 18.386 21.740 Start of MODEL 5 1 H1 ALA 1 H1 ALA 1 12.381 25.405 16.382 2 H2 ALA 1 H2 ALA 1 12.593 26.254 15.002 3 H3 ALA 1 H3 ALA 1 11.092 26.175 15.691 4 HA ALA 1 HA ALA 1 12.050 28.311 16.119 5 HB1 ALA 1 HB1 ALA 1 12.022 26.555 18.615 6 HB2 ALA 1 HB2 ALA 1 11.886 28.326 18.574 7 HB3 ALA 1 HB3 ALA 1 10.601 27.326 17.876 8 H PHE 2 H PHE 2 13.792 29.582 16.857 9 HA PHE 2 HA PHE 2 16.342 28.549 16.121 10 HB2 PHE 2 HB2 PHE 2 15.677 31.092 17.635 11 HB3 PHE 2 HB3 PHE 2 17.187 30.749 16.810 12 HD1 PHE 2 HD1 PHE 2 16.147 29.608 14.174 13 HD2 PHE 2 HD2 PHE 2 14.983 33.043 16.515 14 HE1 PHE 2 HE1 PHE 2 15.430 30.767 12.118 15 HE2 PHE 2 HE2 PHE 2 14.314 34.224 14.437 16 HZ PHE 2 HZ PHE 2 14.545 33.093 12.233 17 H CYS 3 H CYS 3 18.213 28.245 17.167 18 HA CYS 3 HA CYS 3 18.217 26.795 19.614 19 HB2 CYS 3 HB2 CYS 3 19.733 26.418 17.756 20 HB3 CYS 3 HB3 CYS 3 20.398 28.027 17.895 21 H ASN 4 H ASN 4 18.763 27.283 21.669 22 HA ASN 4 HA ASN 4 19.160 30.152 22.447 23 HB2 ASN 4 HB2 ASN 4 18.085 27.720 23.925 24 HB3 ASN 4 HB3 ASN 4 18.635 29.178 24.759 25 HD21 ASN 4 HD21 ASN 4 15.160 29.365 22.603 26 HD22 ASN 4 HD22 ASN 4 16.153 27.923 22.544 27 H LEU 5 H LEU 5 21.302 30.418 21.970 28 HA LEU 5 HA LEU 5 23.347 28.518 22.526 29 HB2 LEU 5 HB2 LEU 5 23.519 30.286 20.806 30 HB3 LEU 5 HB3 LEU 5 23.518 31.520 22.060 31 HG LEU 5 HG LEU 5 25.675 30.673 22.939 32 HD11 LEU 5 HD11 LEU 5 25.586 28.752 20.569 33 HD12 LEU 5 HD12 LEU 5 27.002 29.059 21.599 34 HD13 LEU 5 HD13 LEU 5 25.573 28.295 22.291 35 HD21 LEU 5 HD21 LEU 5 25.712 31.203 19.942 36 HD22 LEU 5 HD22 LEU 5 25.630 32.436 21.219 37 HD23 LEU 5 HD23 LEU 5 27.067 31.415 21.077 38 H ARG 6 H ARG 6 22.274 31.379 24.461 39 HA ARG 6 HA ARG 6 24.414 31.219 26.410 40 HB2 ARG 6 HB2 ARG 6 21.586 32.303 26.741 41 HB3 ARG 6 HB3 ARG 6 22.912 32.561 27.857 42 HG2 ARG 6 HG2 ARG 6 22.751 33.588 24.992 43 HG3 ARG 6 HG3 ARG 6 22.512 34.531 26.456 44 HD2 ARG 6 HD2 ARG 6 25.118 33.230 25.567 45 HD3 ARG 6 HD3 ARG 6 24.727 34.943 25.495 46 HE ARG 6 HE ARG 6 25.535 33.387 27.853 47 HH11 ARG 6 HH11 ARG 6 24.320 36.569 26.814 48 HH12 ARG 6 HH12 ARG 6 24.841 37.258 28.346 49 HH21 ARG 6 HH21 ARG 6 25.744 34.402 29.830 50 HH22 ARG 6 HH22 ARG 6 25.573 36.158 29.884 51 H ARG 7 H ARG 7 21.132 29.813 26.414 52 HA ARG 7 HA ARG 7 21.363 28.307 28.856 53 HB2 ARG 7 HB2 ARG 7 19.844 27.600 26.304 54 HB3 ARG 7 HB3 ARG 7 19.636 26.829 27.876 55 HG2 ARG 7 HG2 ARG 7 18.901 28.995 28.846 56 HG3 ARG 7 HG3 ARG 7 18.994 29.727 27.228 57 HD2 ARG 7 HD2 ARG 7 17.379 27.997 26.394 58 HD3 ARG 7 HD3 ARG 7 17.268 27.336 28.031 59 HE ARG 7 HE ARG 7 16.666 29.952 28.471 60 HH11 ARG 7 HH11 ARG 7 15.173 27.666 26.186 61 HH12 ARG 7 HH12 ARG 7 13.707 28.623 26.202 62 HH21 ARG 7 HH21 ARG 7 14.785 30.871 28.542 63 HH22 ARG 7 HH22 ARG 7 13.390 30.111 27.774 64 H CYS 8 H CYS 8 22.705 27.635 25.661 65 HA CYS 8 HA CYS 8 23.358 24.840 26.288 66 HB2 CYS 8 HB2 CYS 8 22.907 25.598 23.972 67 HB3 CYS 8 HB3 CYS 8 24.327 26.639 24.044 68 H GLU 9 H GLU 9 25.110 27.990 26.207 69 HA GLU 9 HA GLU 9 27.701 27.026 26.637 70 HB2 GLU 9 HB2 GLU 9 26.478 29.581 27.761 71 HB3 GLU 9 HB3 GLU 9 28.193 29.211 27.638 72 HG2 GLU 9 HG2 GLU 9 27.297 28.818 25.015 73 HG3 GLU 9 HG3 GLU 9 26.333 30.193 25.572 74 H LEU 10 H LEU 10 25.187 27.676 29.143 75 HA LEU 10 HA LEU 10 26.681 27.054 31.449 76 HB2 LEU 10 HB2 LEU 10 23.861 26.256 31.476 77 HB3 LEU 10 HB3 LEU 10 24.841 27.247 32.528 78 HG LEU 10 HG LEU 10 23.470 28.073 30.069 79 HD11 LEU 10 HD11 LEU 10 22.099 27.711 32.051 80 HD12 LEU 10 HD12 LEU 10 23.207 28.715 33.010 81 HD13 LEU 10 HD13 LEU 10 22.191 29.460 31.737 82 HD21 LEU 10 HD21 LEU 10 25.542 29.522 30.292 83 HD22 LEU 10 HD22 LEU 10 24.111 30.440 30.733 84 HD23 LEU 10 HD23 LEU 10 25.160 29.778 32.006 85 H SER 11 H SER 11 24.716 25.073 29.291 86 HA SER 11 HA SER 11 24.715 22.660 30.817 87 HB2 SER 11 HB2 SER 11 23.084 23.414 29.065 88 HB3 SER 11 HB3 SER 11 24.295 23.047 27.833 89 HG SER 11 HG SER 11 23.659 21.041 27.950 90 H CYS 12 H CYS 12 26.751 23.761 28.068 91 HA CYS 12 HA CYS 12 28.351 21.339 28.037 92 HB2 CYS 12 HB2 CYS 12 29.106 24.035 26.926 93 HB3 CYS 12 HB3 CYS 12 29.727 22.464 26.473 94 H ARG 13 H ARG 13 28.795 24.565 29.569 95 HA ARG 13 HA ARG 13 31.319 24.128 30.813 96 HB2 ARG 13 HB2 ARG 13 30.037 26.258 30.635 97 HB3 ARG 13 HB3 ARG 13 28.841 25.621 31.769 98 HG2 ARG 13 HG2 ARG 13 30.835 25.436 33.438 99 HG3 ARG 13 HG3 ARG 13 31.700 26.471 32.285 100 HD2 ARG 13 HD2 ARG 13 29.047 27.038 33.658 101 HD3 ARG 13 HD3 ARG 13 30.590 27.786 34.067 102 HE ARG 13 HE ARG 13 30.302 28.483 31.422 103 HH11 ARG 13 HH11 ARG 13 27.969 28.761 34.062 104 HH12 ARG 13 HH12 ARG 13 27.508 30.369 33.523 105 HH21 ARG 13 HH21 ARG 13 29.488 30.404 30.768 106 HH22 ARG 13 HH22 ARG 13 28.260 31.227 31.738 107 H SER 14 H SER 14 28.068 23.047 31.733 108 HA SER 14 HA SER 14 28.865 21.795 34.213 109 HB2 SER 14 HB2 SER 14 26.347 21.339 32.585 110 HB3 SER 14 HB3 SER 14 26.627 20.911 34.278 111 HG SER 14 HG SER 14 26.500 23.507 33.127 112 H LEU 15 H LEU 15 29.545 20.803 31.042 113 HA LEU 15 HA LEU 15 29.959 17.965 31.897 114 HB2 LEU 15 HB2 LEU 15 30.536 19.085 29.154 115 HB3 LEU 15 HB3 LEU 15 30.325 17.410 29.633 116 HG LEU 15 HG LEU 15 28.224 19.546 29.263 117 HD11 LEU 15 HD11 LEU 15 27.395 18.084 27.519 118 HD12 LEU 15 HD12 LEU 15 29.088 18.502 27.233 119 HD13 LEU 15 HD13 LEU 15 28.671 16.893 27.868 120 HD21 LEU 15 HD21 LEU 15 27.825 16.679 30.250 121 HD22 LEU 15 HD22 LEU 15 27.491 18.154 31.184 122 HD23 LEU 15 HD23 LEU 15 26.523 17.785 29.758 123 H GLY 16 H GLY 16 31.586 20.967 31.256 124 HA2 GLY 16 HA2 GLY 16 33.840 21.381 32.038 125 HA3 GLY 16 HA3 GLY 16 34.312 19.759 31.541 126 H LEU 17 H LEU 17 32.294 21.745 29.365 127 HA LEU 17 HA LEU 17 34.618 22.498 27.721 128 HB2 LEU 17 HB2 LEU 17 33.609 21.263 25.749 129 HB3 LEU 17 HB3 LEU 17 34.527 20.381 26.927 130 HG LEU 17 HG LEU 17 31.619 20.307 27.498 131 HD11 LEU 17 HD11 LEU 17 32.636 18.913 24.994 132 HD12 LEU 17 HD12 LEU 17 31.004 18.855 25.714 133 HD13 LEU 17 HD13 LEU 17 31.628 20.373 25.019 134 HD21 LEU 17 HD21 LEU 17 33.713 18.147 26.918 135 HD22 LEU 17 HD22 LEU 17 33.357 18.781 28.545 136 HD23 LEU 17 HD23 LEU 17 32.123 17.876 27.648 137 H LEU 18 H LEU 18 33.801 23.337 25.468 138 HA LEU 18 HA LEU 18 31.953 25.586 26.028 139 HB2 LEU 18 HB2 LEU 18 33.874 24.885 23.789 140 HB3 LEU 18 HB3 LEU 18 32.768 26.242 23.647 141 HG LEU 18 HG LEU 18 34.603 26.025 26.040 142 HD11 LEU 18 HD11 LEU 18 35.254 27.297 23.348 143 HD12 LEU 18 HD12 LEU 18 36.222 27.451 24.831 144 HD13 LEU 18 HD13 LEU 18 36.044 25.867 24.063 145 HD21 LEU 18 HD21 LEU 18 33.332 28.394 24.619 146 HD22 LEU 18 HD22 LEU 18 32.848 27.711 26.201 147 HD23 LEU 18 HD23 LEU 18 34.418 28.486 26.015 148 H GLY 19 H GLY 19 30.502 26.234 24.194 149 HA2 GLY 19 HA2 GLY 19 29.167 23.913 22.838 150 HA3 GLY 19 HA3 GLY 19 28.222 25.108 23.715 151 H LYS 20 H LYS 20 27.928 24.369 20.989 152 HA LYS 20 HA LYS 20 27.873 27.081 19.849 153 HB2 LYS 20 HB2 LYS 20 28.810 26.416 17.712 154 HB3 LYS 20 HB3 LYS 20 29.992 26.343 19.015 155 HG2 LYS 20 HG2 LYS 20 29.669 23.847 19.111 156 HG3 LYS 20 HG3 LYS 20 28.580 23.954 17.720 157 HD2 LYS 20 HD2 LYS 20 31.478 24.883 17.758 158 HD3 LYS 20 HD3 LYS 20 30.931 23.309 17.150 159 HE2 LYS 20 HE2 LYS 20 29.556 24.422 15.425 160 HE3 LYS 20 HE3 LYS 20 30.049 26.005 16.037 161 HZ1 LYS 20 HZ1 LYS 20 31.901 23.973 14.938 162 HZ2 LYS 20 HZ2 LYS 20 31.398 25.290 14.123 163 HZ3 LYS 20 HZ3 LYS 20 32.334 25.478 15.459 164 H CYS 21 H CYS 21 26.130 27.449 18.509 165 HA CYS 21 HA CYS 21 24.019 25.406 18.387 166 HB2 CYS 21 HB2 CYS 21 24.264 28.248 17.396 167 HB3 CYS 21 HB3 CYS 21 22.892 27.220 17.007 168 H ILE 22 H ILE 22 23.550 24.091 16.693 169 HA ILE 22 HA ILE 22 24.845 24.539 14.046 170 HB ILE 22 HB ILE 22 24.750 21.855 15.469 171 HG12 ILE 22 HG12 ILE 22 27.109 23.688 14.829 172 HG13 ILE 22 HG13 ILE 22 26.505 23.264 16.434 173 HG21 ILE 22 HG21 ILE 22 25.901 20.995 13.479 174 HG22 ILE 22 HG22 ILE 22 24.414 21.765 12.970 175 HG23 ILE 22 HG23 ILE 22 25.955 22.621 12.765 176 HD11 ILE 22 HD11 ILE 22 27.910 21.410 14.491 177 HD12 ILE 22 HD12 ILE 22 28.475 21.983 16.064 178 HD13 ILE 22 HD13 ILE 22 27.099 20.863 15.977 179 H GLY 23 H GLY 23 22.905 25.472 13.439 180 HA2 GLY 23 HA2 GLY 23 20.768 25.459 12.502 181 HA3 GLY 23 HA3 GLY 23 20.593 23.746 12.873 182 H GLU 24 H GLU 24 18.680 23.703 14.009 183 HA GLU 24 HA GLU 24 17.997 25.731 16.030 184 HB2 GLU 24 HB2 GLU 24 16.557 23.276 14.973 185 HB3 GLU 24 HB3 GLU 24 15.899 24.376 16.192 186 HG2 GLU 24 HG2 GLU 24 16.377 26.276 14.501 187 HG3 GLU 24 HG3 GLU 24 16.537 25.001 13.295 188 H GLU 25 H GLU 25 20.166 23.421 16.436 189 HA GLU 25 HA GLU 25 19.504 23.096 19.278 190 HB2 GLU 25 HB2 GLU 25 18.533 21.101 18.155 191 HB3 GLU 25 HB3 GLU 25 20.108 20.712 17.477 192 HG2 GLU 25 HG2 GLU 25 19.467 19.335 19.456 193 HG3 GLU 25 HG3 GLU 25 20.998 20.180 19.644 194 H CYS 26 H CYS 26 21.355 22.498 20.567 195 HA CYS 26 HA CYS 26 23.848 23.614 19.381 196 HB2 CYS 26 HB2 CYS 26 22.711 24.841 21.238 197 HB3 CYS 26 HB3 CYS 26 22.937 23.418 22.252 198 H LYS 27 H LYS 27 25.801 22.634 19.635 199 HA LYS 27 HA LYS 27 25.873 19.938 20.928 200 HB2 LYS 27 HB2 LYS 27 25.994 19.684 18.512 201 HB3 LYS 27 HB3 LYS 27 27.307 20.865 18.417 202 HG2 LYS 27 HG2 LYS 27 28.197 18.642 18.155 203 HG3 LYS 27 HG3 LYS 27 28.767 19.315 19.677 204 HD2 LYS 27 HD2 LYS 27 28.189 17.039 20.068 205 HD3 LYS 27 HD3 LYS 27 26.950 18.026 20.852 206 HE2 LYS 27 HE2 LYS 27 25.416 17.637 18.946 207 HE3 LYS 27 HE3 LYS 27 26.653 16.664 18.147 208 HZ1 LYS 27 HZ1 LYS 27 25.315 16.019 20.718 209 HZ2 LYS 27 HZ2 LYS 27 25.102 15.249 19.300 210 HZ3 LYS 27 HZ3 LYS 27 26.558 15.151 20.095 211 H CYS 28 H CYS 28 27.252 19.736 22.528 212 HA CYS 28 HA CYS 28 29.083 21.906 23.237 213 HB2 CYS 28 HB2 CYS 28 28.757 19.207 24.543 214 HB3 CYS 28 HB3 CYS 28 29.569 20.600 25.174 215 H VAL 29 H VAL 29 31.252 21.962 23.028 216 HA VAL 29 HA VAL 29 32.648 19.759 21.604 217 HB VAL 29 HB VAL 29 33.810 21.384 20.190 218 HG11 VAL 29 HG11 VAL 29 31.863 20.033 19.376 219 HG12 VAL 29 HG12 VAL 29 30.783 21.389 19.747 220 HG13 VAL 29 HG13 VAL 29 32.056 21.559 18.516 221 HG21 VAL 29 HG21 VAL 29 32.795 23.585 19.695 222 HG22 VAL 29 HG22 VAL 29 31.605 23.362 20.993 223 HG23 VAL 29 HG23 VAL 29 33.327 23.536 21.370 224 H TYR 30 H TYR 30 34.324 19.172 22.547 225 HA TYR 30 HA TYR 30 35.134 19.686 25.011 226 HB2 TYR 30 HB2 TYR 30 36.840 18.607 22.767 227 HB3 TYR 30 HB3 TYR 30 37.192 18.441 24.483 228 HD1 TYR 30 HD1 TYR 30 35.731 17.107 25.975 229 HD2 TYR 30 HD2 TYR 30 35.163 17.179 21.701 230 HE1 TYR 30 HE1 TYR 30 34.286 15.082 26.121 231 HE2 TYR 30 HE2 TYR 30 33.690 15.183 21.865 232 HH TYR 30 HH TYR 30 32.639 13.656 23.286 Start of MODEL 6 1 H1 ALA 1 H1 ALA 1 13.849 29.027 13.052 2 H2 ALA 1 H2 ALA 1 12.571 28.109 13.523 3 H3 ALA 1 H3 ALA 1 14.119 27.526 13.650 4 HA ALA 1 HA ALA 1 13.130 29.882 15.096 5 HB1 ALA 1 HB1 ALA 1 11.895 27.868 15.844 6 HB2 ALA 1 HB2 ALA 1 13.440 27.031 16.139 7 HB3 ALA 1 HB3 ALA 1 13.003 28.458 17.097 8 H PHE 2 H PHE 2 14.647 30.649 16.722 9 HA PHE 2 HA PHE 2 17.411 30.379 15.902 10 HB2 PHE 2 HB2 PHE 2 16.164 31.770 18.289 11 HB3 PHE 2 HB3 PHE 2 17.863 31.870 17.852 12 HD1 PHE 2 HD1 PHE 2 18.475 32.734 15.485 13 HD2 PHE 2 HD2 PHE 2 14.634 33.340 17.344 14 HE1 PHE 2 HE1 PHE 2 18.014 34.605 13.921 15 HE2 PHE 2 HE2 PHE 2 14.184 35.228 15.779 16 HZ PHE 2 HZ PHE 2 15.868 35.854 14.066 17 H CYS 3 H CYS 3 19.156 29.436 16.910 18 HA CYS 3 HA CYS 3 18.721 27.210 18.732 19 HB2 CYS 3 HB2 CYS 3 21.222 27.108 18.713 20 HB3 CYS 3 HB3 CYS 3 20.483 27.061 17.117 21 H ASN 4 H ASN 4 18.967 27.107 20.884 22 HA ASN 4 HA ASN 4 18.970 29.606 22.429 23 HB2 ASN 4 HB2 ASN 4 18.481 26.718 23.265 24 HB3 ASN 4 HB3 ASN 4 18.225 28.142 24.274 25 HD21 ASN 4 HD21 ASN 4 15.516 27.248 21.320 26 HD22 ASN 4 HD22 ASN 4 17.064 26.421 21.362 27 H LEU 5 H LEU 5 21.275 29.864 21.650 28 HA LEU 5 HA LEU 5 23.382 28.142 22.377 29 HB2 LEU 5 HB2 LEU 5 23.392 29.728 20.542 30 HB3 LEU 5 HB3 LEU 5 23.327 31.093 21.638 31 HG LEU 5 HG LEU 5 25.497 30.636 20.516 32 HD11 LEU 5 HD11 LEU 5 26.934 31.221 22.317 33 HD12 LEU 5 HD12 LEU 5 25.375 32.024 22.561 34 HD13 LEU 5 HD13 LEU 5 25.817 30.604 23.531 35 HD21 LEU 5 HD21 LEU 5 26.999 28.912 21.292 36 HD22 LEU 5 HD22 LEU 5 25.807 28.316 22.456 37 HD23 LEU 5 HD23 LEU 5 25.496 28.168 20.713 38 H ARG 6 H ARG 6 22.299 31.121 24.105 39 HA ARG 6 HA ARG 6 24.543 31.110 25.919 40 HB2 ARG 6 HB2 ARG 6 21.834 32.415 26.196 41 HB3 ARG 6 HB3 ARG 6 23.236 32.732 27.235 42 HG2 ARG 6 HG2 ARG 6 24.554 33.453 25.252 43 HG3 ARG 6 HG3 ARG 6 23.160 33.194 24.206 44 HD2 ARG 6 HD2 ARG 6 23.321 35.164 26.507 45 HD3 ARG 6 HD3 ARG 6 23.457 35.551 24.787 46 HE ARG 6 HE ARG 6 20.981 34.144 25.439 47 HH11 ARG 6 HH11 ARG 6 22.352 37.362 25.547 48 HH12 ARG 6 HH12 ARG 6 20.808 38.130 25.321 49 HH21 ARG 6 HH21 ARG 6 19.070 35.160 25.136 50 HH22 ARG 6 HH22 ARG 6 19.014 36.898 24.907 51 H ARG 7 H ARG 7 21.251 29.769 26.379 52 HA ARG 7 HA ARG 7 21.778 28.572 28.984 53 HB2 ARG 7 HB2 ARG 7 19.742 28.033 26.789 54 HB3 ARG 7 HB3 ARG 7 19.806 27.090 28.280 55 HG2 ARG 7 HG2 ARG 7 19.442 29.149 29.615 56 HG3 ARG 7 HG3 ARG 7 19.329 30.101 28.122 57 HD2 ARG 7 HD2 ARG 7 17.404 28.745 27.380 58 HD3 ARG 7 HD3 ARG 7 17.559 27.719 28.814 59 HE ARG 7 HE ARG 7 17.176 30.509 29.539 60 HH11 ARG 7 HH11 ARG 7 15.365 27.600 28.638 61 HH12 ARG 7 HH12 ARG 7 13.869 28.298 29.193 62 HH21 ARG 7 HH21 ARG 7 15.301 31.143 30.440 63 HH22 ARG 7 HH22 ARG 7 13.871 30.120 30.377 64 H CYS 8 H CYS 8 22.359 27.458 25.679 65 HA CYS 8 HA CYS 8 23.090 24.753 26.336 66 HB2 CYS 8 HB2 CYS 8 22.370 25.331 24.135 67 HB3 CYS 8 HB3 CYS 8 23.582 26.587 23.992 68 H GLU 9 H GLU 9 25.168 27.709 25.815 69 HA GLU 9 HA GLU 9 27.674 26.509 26.395 70 HB2 GLU 9 HB2 GLU 9 26.584 29.314 26.867 71 HB3 GLU 9 HB3 GLU 9 28.209 28.851 27.352 72 HG2 GLU 9 HG2 GLU 9 28.606 28.101 24.939 73 HG3 GLU 9 HG3 GLU 9 27.102 28.913 24.534 74 H LEU 10 H LEU 10 25.209 27.722 28.751 75 HA LEU 10 HA LEU 10 26.710 27.236 31.102 76 HB2 LEU 10 HB2 LEU 10 25.039 28.922 31.016 77 HB3 LEU 10 HB3 LEU 10 23.899 27.890 30.167 78 HG LEU 10 HG LEU 10 23.607 26.537 32.137 79 HD11 LEU 10 HD11 LEU 10 24.323 27.462 34.357 80 HD12 LEU 10 HD12 LEU 10 25.729 27.091 33.340 81 HD13 LEU 10 HD13 LEU 10 25.185 28.770 33.511 82 HD21 LEU 10 HD21 LEU 10 23.009 29.501 32.510 83 HD22 LEU 10 HD22 LEU 10 22.021 28.325 31.602 84 HD23 LEU 10 HD23 LEU 10 22.186 28.171 33.353 85 H SER 11 H SER 11 24.592 25.174 29.096 86 HA SER 11 HA SER 11 24.500 22.971 31.006 87 HB2 SER 11 HB2 SER 11 22.808 23.179 29.240 88 HB3 SER 11 HB3 SER 11 24.061 23.026 27.998 89 HG SER 11 HG SER 11 23.309 21.055 28.174 90 H CYS 12 H CYS 12 26.515 23.682 28.095 91 HA CYS 12 HA CYS 12 28.058 21.289 28.246 92 HB2 CYS 12 HB2 CYS 12 28.799 23.970 27.023 93 HB3 CYS 12 HB3 CYS 12 29.522 22.404 26.624 94 H ARG 13 H ARG 13 28.527 24.443 29.768 95 HA ARG 13 HA ARG 13 31.051 24.215 30.970 96 HB2 ARG 13 HB2 ARG 13 29.372 26.111 31.016 97 HB3 ARG 13 HB3 ARG 13 28.494 25.238 32.274 98 HG2 ARG 13 HG2 ARG 13 30.544 25.352 33.726 99 HG3 ARG 13 HG3 ARG 13 31.339 26.309 32.462 100 HD2 ARG 13 HD2 ARG 13 28.790 27.037 33.965 101 HD3 ARG 13 HD3 ARG 13 30.389 27.747 34.237 102 HE ARG 13 HE ARG 13 29.942 28.229 31.549 103 HH11 ARG 13 HH11 ARG 13 27.989 29.061 34.408 104 HH12 ARG 13 HH12 ARG 13 27.420 30.507 33.581 105 HH21 ARG 13 HH21 ARG 13 29.062 30.052 30.676 106 HH22 ARG 13 HH22 ARG 13 27.941 30.999 31.648 107 H SER 14 H SER 14 28.080 22.476 31.882 108 HA SER 14 HA SER 14 28.983 21.456 34.411 109 HB2 SER 14 HB2 SER 14 26.611 21.491 33.537 110 HB3 SER 14 HB3 SER 14 27.057 20.159 32.451 111 HG SER 14 HG SER 14 26.213 19.249 34.231 112 H LEU 15 H LEU 15 29.495 20.321 31.088 113 HA LEU 15 HA LEU 15 30.841 17.833 31.888 114 HB2 LEU 15 HB2 LEU 15 30.989 19.203 29.206 115 HB3 LEU 15 HB3 LEU 15 31.186 17.489 29.565 116 HG LEU 15 HG LEU 15 28.610 19.096 29.542 117 HD11 LEU 15 HD11 LEU 15 29.461 18.670 27.330 118 HD12 LEU 15 HD12 LEU 15 29.659 16.935 27.690 119 HD13 LEU 15 HD13 LEU 15 28.040 17.659 27.622 120 HD21 LEU 15 HD21 LEU 15 28.493 17.272 31.247 121 HD22 LEU 15 HD22 LEU 15 27.462 16.912 29.858 122 HD23 LEU 15 HD23 LEU 15 29.034 16.101 30.021 123 H GLY 16 H GLY 16 31.719 21.161 31.481 124 HA2 GLY 16 HA2 GLY 16 33.773 22.203 31.891 125 HA3 GLY 16 HA3 GLY 16 34.621 20.664 31.795 126 H LEU 17 H LEU 17 32.341 21.861 29.303 127 HA LEU 17 HA LEU 17 34.545 22.748 27.573 128 HB2 LEU 17 HB2 LEU 17 33.531 21.381 25.654 129 HB3 LEU 17 HB3 LEU 17 34.672 20.638 26.743 130 HG LEU 17 HG LEU 17 31.812 20.274 27.507 131 HD11 LEU 17 HD11 LEU 17 32.852 18.778 25.092 132 HD12 LEU 17 HD12 LEU 17 31.271 18.629 25.889 133 HD13 LEU 17 HD13 LEU 17 31.696 20.126 25.035 134 HD21 LEU 17 HD21 LEU 17 34.171 18.365 27.038 135 HD22 LEU 17 HD22 LEU 17 33.718 19.046 28.612 136 HD23 LEU 17 HD23 LEU 17 32.635 17.906 27.782 137 H LEU 18 H LEU 18 33.692 23.618 25.437 138 HA LEU 18 HA LEU 18 31.593 25.561 26.118 139 HB2 LEU 18 HB2 LEU 18 32.359 26.855 24.309 140 HB3 LEU 18 HB3 LEU 18 33.752 26.243 25.177 141 HG LEU 18 HG LEU 18 33.654 24.337 23.270 142 HD11 LEU 18 HD11 LEU 18 32.397 26.787 21.949 143 HD12 LEU 18 HD12 LEU 18 33.114 25.429 21.070 144 HD13 LEU 18 HD13 LEU 18 31.680 25.167 22.064 145 HD21 LEU 18 HD21 LEU 18 35.293 25.651 22.001 146 HD22 LEU 18 HD22 LEU 18 34.770 27.133 22.834 147 HD23 LEU 18 HD23 LEU 18 35.560 25.821 23.739 148 H GLY 19 H GLY 19 29.893 26.154 24.689 149 HA2 GLY 19 HA2 GLY 19 28.698 23.877 23.146 150 HA3 GLY 19 HA3 GLY 19 27.762 25.097 23.992 151 H LYS 20 H LYS 20 27.936 24.249 21.074 152 HA LYS 20 HA LYS 20 28.169 26.987 19.922 153 HB2 LYS 20 HB2 LYS 20 29.282 26.177 17.943 154 HB3 LYS 20 HB3 LYS 20 30.245 25.887 19.387 155 HG2 LYS 20 HG2 LYS 20 29.515 23.491 19.369 156 HG3 LYS 20 HG3 LYS 20 28.627 23.776 17.865 157 HD2 LYS 20 HD2 LYS 20 31.594 24.343 18.182 158 HD3 LYS 20 HD3 LYS 20 30.983 22.760 17.686 159 HE2 LYS 20 HE2 LYS 20 30.122 23.578 15.629 160 HE3 LYS 20 HE3 LYS 20 30.210 25.264 16.172 161 HZ1 LYS 20 HZ1 LYS 20 32.565 25.177 16.132 162 HZ2 LYS 20 HZ2 LYS 20 32.614 23.585 15.736 163 HZ3 LYS 20 HZ3 LYS 20 32.051 24.686 14.660 164 H CYS 21 H CYS 21 26.729 27.595 18.483 165 HA CYS 21 HA CYS 21 24.245 26.115 18.206 166 HB2 CYS 21 HB2 CYS 21 24.260 28.529 18.387 167 HB3 CYS 21 HB3 CYS 21 25.351 28.676 17.005 168 H ILE 22 H ILE 22 23.544 24.855 16.582 169 HA ILE 22 HA ILE 22 24.941 24.845 13.937 170 HB ILE 22 HB ILE 22 23.845 22.381 15.323 171 HG12 ILE 22 HG12 ILE 22 26.734 23.259 14.862 172 HG13 ILE 22 HG13 ILE 22 25.922 23.150 16.425 173 HG21 ILE 22 HG21 ILE 22 25.429 22.687 12.721 174 HG22 ILE 22 HG22 ILE 22 24.784 21.175 13.399 175 HG23 ILE 22 HG23 ILE 22 23.678 22.394 12.804 176 HD11 ILE 22 HD11 ILE 22 26.656 20.820 14.624 177 HD12 ILE 22 HD12 ILE 22 27.330 21.242 16.205 178 HD13 ILE 22 HD13 ILE 22 25.646 20.694 16.090 179 H GLY 23 H GLY 23 23.416 26.485 13.403 180 HA2 GLY 23 HA2 GLY 23 21.509 27.258 12.365 181 HA3 GLY 23 HA3 GLY 23 20.928 25.593 12.220 182 H GLU 24 H GLU 24 19.665 24.718 13.870 183 HA GLU 24 HA GLU 24 18.590 26.564 15.968 184 HB2 GLU 24 HB2 GLU 24 16.442 25.626 15.730 185 HB3 GLU 24 HB3 GLU 24 17.007 26.275 14.191 186 HG2 GLU 24 HG2 GLU 24 17.140 23.327 14.913 187 HG3 GLU 24 HG3 GLU 24 15.771 24.096 14.106 188 H GLU 25 H GLU 25 20.358 23.759 15.509 189 HA GLU 25 HA GLU 25 19.668 22.474 18.115 190 HB2 GLU 25 HB2 GLU 25 21.476 21.768 15.777 191 HB3 GLU 25 HB3 GLU 25 21.666 21.004 17.325 192 HG2 GLU 25 HG2 GLU 25 18.850 20.919 16.464 193 HG3 GLU 25 HG3 GLU 25 19.899 20.308 15.199 194 H CYS 26 H CYS 26 21.530 22.110 19.632 195 HA CYS 26 HA CYS 26 23.893 23.778 19.176 196 HB2 CYS 26 HB2 CYS 26 22.380 25.283 20.387 197 HB3 CYS 26 HB3 CYS 26 22.279 24.128 21.718 198 H LYS 27 H LYS 27 25.688 22.821 19.752 199 HA LYS 27 HA LYS 27 25.537 20.198 21.217 200 HB2 LYS 27 HB2 LYS 27 25.673 20.074 18.709 201 HB3 LYS 27 HB3 LYS 27 27.207 20.955 18.781 202 HG2 LYS 27 HG2 LYS 27 28.129 19.103 20.223 203 HG3 LYS 27 HG3 LYS 27 26.613 18.224 19.999 204 HD2 LYS 27 HD2 LYS 27 28.503 19.096 17.770 205 HD3 LYS 27 HD3 LYS 27 28.507 17.499 18.533 206 HE2 LYS 27 HE2 LYS 27 26.117 17.190 17.814 207 HE3 LYS 27 HE3 LYS 27 26.220 18.728 16.935 208 HZ1 LYS 27 HZ1 LYS 27 27.733 16.239 16.426 209 HZ2 LYS 27 HZ2 LYS 27 26.720 17.037 15.386 210 HZ3 LYS 27 HZ3 LYS 27 28.177 17.684 15.749 211 H CYS 28 H CYS 28 27.213 19.673 22.623 212 HA CYS 28 HA CYS 28 29.090 21.834 23.338 213 HB2 CYS 28 HB2 CYS 28 28.867 19.111 24.625 214 HB3 CYS 28 HB3 CYS 28 29.603 20.570 25.263 215 H VAL 29 H VAL 29 31.330 21.760 23.001 216 HA VAL 29 HA VAL 29 32.468 19.305 21.746 217 HB VAL 29 HB VAL 29 33.788 20.740 20.171 218 HG11 VAL 29 HG11 VAL 29 31.910 19.280 19.471 219 HG12 VAL 29 HG12 VAL 29 30.789 20.644 19.668 220 HG13 VAL 29 HG13 VAL 29 32.087 20.712 18.452 221 HG21 VAL 29 HG21 VAL 29 32.939 22.860 19.440 222 HG22 VAL 29 HG22 VAL 29 31.596 22.803 20.610 223 HG23 VAL 29 HG23 VAL 29 33.269 22.975 21.165 224 H TYR 30 H TYR 30 34.272 18.655 22.563 225 HA TYR 30 HA TYR 30 35.684 19.965 24.765 226 HB2 TYR 30 HB2 TYR 30 35.923 17.882 25.287 227 HB3 TYR 30 HB3 TYR 30 35.196 17.333 23.789 228 HD1 TYR 30 HD1 TYR 30 36.526 16.655 21.901 229 HD2 TYR 30 HD2 TYR 30 38.330 18.349 25.426 230 HE1 TYR 30 HE1 TYR 30 38.735 16.321 20.913 231 HE2 TYR 30 HE2 TYR 30 40.536 18.103 24.419 232 HH TYR 30 HH TYR 30 41.019 16.461 21.227 Start of MODEL 7 1 H1 ALA 1 H1 ALA 1 12.579 27.361 15.192 2 H2 ALA 1 H2 ALA 1 11.029 27.193 15.724 3 H3 ALA 1 H3 ALA 1 12.064 25.923 15.818 4 HA ALA 1 HA ALA 1 12.081 28.399 17.375 5 HB1 ALA 1 HB1 ALA 1 12.150 25.496 18.309 6 HB2 ALA 1 HB2 ALA 1 11.983 26.946 19.318 7 HB3 ALA 1 HB3 ALA 1 10.680 26.488 18.211 8 H PHE 2 H PHE 2 13.964 29.320 17.800 9 HA PHE 2 HA PHE 2 16.262 28.530 16.428 10 HB2 PHE 2 HB2 PHE 2 16.097 30.433 18.792 11 HB3 PHE 2 HB3 PHE 2 17.346 30.396 17.552 12 HD1 PHE 2 HD1 PHE 2 16.783 30.992 15.162 13 HD2 PHE 2 HD2 PHE 2 14.026 31.633 18.421 14 HE1 PHE 2 HE1 PHE 2 15.468 32.555 13.753 15 HE2 PHE 2 HE2 PHE 2 12.717 33.188 17.004 16 HZ PHE 2 HZ PHE 2 13.428 33.647 14.661 17 H CYS 3 H CYS 3 18.422 28.113 17.121 18 HA CYS 3 HA CYS 3 18.739 25.939 18.931 19 HB2 CYS 3 HB2 CYS 3 21.080 26.141 18.454 20 HB3 CYS 3 HB3 CYS 3 20.193 26.461 16.986 21 H ASN 4 H ASN 4 19.258 25.798 21.077 22 HA ASN 4 HA ASN 4 18.814 28.200 22.701 23 HB2 ASN 4 HB2 ASN 4 19.247 25.292 23.521 24 HB3 ASN 4 HB3 ASN 4 18.688 26.601 24.563 25 HD21 ASN 4 HD21 ASN 4 15.556 26.600 22.350 26 HD22 ASN 4 HD22 ASN 4 16.870 27.742 22.438 27 H LEU 5 H LEU 5 21.028 28.915 21.579 28 HA LEU 5 HA LEU 5 23.479 27.796 22.216 29 HB2 LEU 5 HB2 LEU 5 23.045 29.429 20.472 30 HB3 LEU 5 HB3 LEU 5 22.760 30.695 21.643 31 HG LEU 5 HG LEU 5 24.922 30.748 20.403 32 HD11 LEU 5 HD11 LEU 5 24.622 31.996 22.530 33 HD12 LEU 5 HD12 LEU 5 25.410 30.648 23.396 34 HD13 LEU 5 HD13 LEU 5 26.285 31.547 22.166 35 HD21 LEU 5 HD21 LEU 5 26.774 29.347 21.022 36 HD22 LEU 5 HD22 LEU 5 25.814 28.487 22.232 37 HD23 LEU 5 HD23 LEU 5 25.441 28.312 20.502 38 H ARG 6 H ARG 6 21.925 30.406 24.160 39 HA ARG 6 HA ARG 6 24.262 30.656 25.888 40 HB2 ARG 6 HB2 ARG 6 21.430 31.753 26.201 41 HB3 ARG 6 HB3 ARG 6 22.761 32.082 27.292 42 HG2 ARG 6 HG2 ARG 6 22.797 33.948 25.925 43 HG3 ARG 6 HG3 ARG 6 24.065 32.937 25.227 44 HD2 ARG 6 HD2 ARG 6 22.365 32.165 23.503 45 HD3 ARG 6 HD3 ARG 6 21.216 33.316 24.197 46 HE ARG 6 HE ARG 6 23.641 34.676 23.547 47 HH11 ARG 6 HH11 ARG 6 21.184 32.922 21.717 48 HH12 ARG 6 HH12 ARG 6 21.517 33.832 20.262 49 HH21 ARG 6 HH21 ARG 6 23.720 35.993 21.761 50 HH22 ARG 6 HH22 ARG 6 22.808 35.567 20.324 51 H ARG 7 H ARG 7 21.170 28.962 26.231 52 HA ARG 7 HA ARG 7 21.736 27.898 28.904 53 HB2 ARG 7 HB2 ARG 7 19.696 27.205 26.752 54 HB3 ARG 7 HB3 ARG 7 19.753 26.433 28.346 55 HG2 ARG 7 HG2 ARG 7 19.465 28.576 29.469 56 HG3 ARG 7 HG3 ARG 7 19.458 29.451 27.945 57 HD2 ARG 7 HD2 ARG 7 17.447 27.255 28.540 58 HD3 ARG 7 HD3 ARG 7 17.194 28.939 29.029 59 HE ARG 7 HE ARG 7 17.835 29.119 26.340 60 HH11 ARG 7 HH11 ARG 7 15.244 27.590 28.148 61 HH12 ARG 7 HH12 ARG 7 14.105 27.777 26.820 62 HH21 ARG 7 HH21 ARG 7 16.257 29.589 24.864 63 HH22 ARG 7 HH22 ARG 7 14.621 29.064 25.120 64 H CYS 8 H CYS 8 22.378 26.816 25.660 65 HA CYS 8 HA CYS 8 23.286 24.142 26.240 66 HB2 CYS 8 HB2 CYS 8 22.572 24.803 24.052 67 HB3 CYS 8 HB3 CYS 8 23.690 26.149 24.026 68 H GLU 9 H GLU 9 25.149 27.221 25.632 69 HA GLU 9 HA GLU 9 27.710 26.346 26.337 70 HB2 GLU 9 HB2 GLU 9 26.253 28.979 26.521 71 HB3 GLU 9 HB3 GLU 9 27.826 28.857 27.293 72 HG2 GLU 9 HG2 GLU 9 27.533 27.956 24.417 73 HG3 GLU 9 HG3 GLU 9 27.623 29.674 24.810 74 H LEU 10 H LEU 10 25.311 27.726 28.687 75 HA LEU 10 HA LEU 10 27.107 27.364 30.896 76 HB2 LEU 10 HB2 LEU 10 25.449 28.175 32.264 77 HB3 LEU 10 HB3 LEU 10 25.154 28.911 30.706 78 HG LEU 10 HG LEU 10 23.400 26.971 30.418 79 HD11 LEU 10 HD11 LEU 10 23.967 25.750 32.534 80 HD12 LEU 10 HD12 LEU 10 23.541 27.198 33.454 81 HD13 LEU 10 HD13 LEU 10 22.302 26.331 32.525 82 HD21 LEU 10 HD21 LEU 10 22.944 29.317 32.301 83 HD22 LEU 10 HD22 LEU 10 22.829 29.356 30.531 84 HD23 LEU 10 HD23 LEU 10 21.671 28.401 31.464 85 H SER 11 H SER 11 24.872 25.156 29.417 86 HA SER 11 HA SER 11 25.016 23.103 31.505 87 HB2 SER 11 HB2 SER 11 24.116 22.880 28.607 88 HB3 SER 11 HB3 SER 11 23.868 21.680 29.890 89 HG SER 11 HG SER 11 22.715 24.237 29.542 90 H CYS 12 H CYS 12 26.643 23.618 28.332 91 HA CYS 12 HA CYS 12 28.192 21.198 28.393 92 HB2 CYS 12 HB2 CYS 12 28.712 23.855 26.997 93 HB3 CYS 12 HB3 CYS 12 29.507 22.321 26.616 94 H ARG 13 H ARG 13 28.861 24.534 29.577 95 HA ARG 13 HA ARG 13 31.530 24.083 30.463 96 HB2 ARG 13 HB2 ARG 13 29.323 26.058 31.144 97 HB3 ARG 13 HB3 ARG 13 30.936 26.155 31.844 98 HG2 ARG 13 HG2 ARG 13 31.993 26.478 29.715 99 HG3 ARG 13 HG3 ARG 13 30.537 26.019 28.832 100 HD2 ARG 13 HD2 ARG 13 29.369 28.023 29.735 101 HD3 ARG 13 HD3 ARG 13 30.868 28.533 30.508 102 HE ARG 13 HE ARG 13 30.449 28.207 27.540 103 HH11 ARG 13 HH11 ARG 13 32.362 29.841 30.080 104 HH12 ARG 13 HH12 ARG 13 33.040 30.904 28.866 105 HH21 ARG 13 HH21 ARG 13 31.280 29.751 26.230 106 HH22 ARG 13 HH22 ARG 13 32.525 30.840 26.876 107 H SER 14 H SER 14 28.449 23.390 32.066 108 HA SER 14 HA SER 14 29.586 22.629 34.602 109 HB2 SER 14 HB2 SER 14 27.166 23.020 34.214 110 HB3 SER 14 HB3 SER 14 27.091 21.529 33.265 111 HG SER 14 HG SER 14 26.854 20.522 35.068 112 H LEU 15 H LEU 15 29.134 20.746 31.562 113 HA LEU 15 HA LEU 15 30.284 18.290 32.637 114 HB2 LEU 15 HB2 LEU 15 30.284 19.124 29.729 115 HB3 LEU 15 HB3 LEU 15 30.343 17.495 30.385 116 HG LEU 15 HG LEU 15 28.008 19.405 30.304 117 HD11 LEU 15 HD11 LEU 15 27.004 17.737 28.812 118 HD12 LEU 15 HD12 LEU 15 28.549 18.318 28.175 119 HD13 LEU 15 HD13 LEU 15 28.456 16.720 28.949 120 HD21 LEU 15 HD21 LEU 15 28.177 16.587 31.492 121 HD22 LEU 15 HD22 LEU 15 27.819 18.079 32.383 122 HD23 LEU 15 HD23 LEU 15 26.654 17.458 31.204 123 H GLY 16 H GLY 16 31.665 21.280 31.763 124 HA2 GLY 16 HA2 GLY 16 33.894 21.941 31.847 125 HA3 GLY 16 HA3 GLY 16 34.434 20.265 31.869 126 H LEU 17 H LEU 17 32.159 21.338 29.381 127 HA LEU 17 HA LEU 17 34.374 21.556 27.361 128 HB2 LEU 17 HB2 LEU 17 31.637 21.111 26.319 129 HB3 LEU 17 HB3 LEU 17 33.184 20.487 25.757 130 HG LEU 17 HG LEU 17 31.548 19.489 28.056 131 HD11 LEU 17 HD11 LEU 17 31.268 17.408 26.566 132 HD12 LEU 17 HD12 LEU 17 30.252 18.813 26.383 133 HD13 LEU 17 HD13 LEU 17 31.614 18.534 25.238 134 HD21 LEU 17 HD21 LEU 17 33.036 17.505 28.090 135 HD22 LEU 17 HD22 LEU 17 33.869 18.100 26.636 136 HD23 LEU 17 HD23 LEU 17 34.075 18.930 28.184 137 H LEU 18 H LEU 18 33.025 22.735 25.373 138 HA LEU 18 HA LEU 18 31.773 25.262 26.384 139 HB2 LEU 18 HB2 LEU 18 33.647 24.856 24.022 140 HB3 LEU 18 HB3 LEU 18 32.644 26.291 24.204 141 HG LEU 18 HG LEU 18 34.514 25.425 26.398 142 HD11 LEU 18 HD11 LEU 18 35.176 27.291 24.080 143 HD12 LEU 18 HD12 LEU 18 36.204 26.989 25.499 144 HD13 LEU 18 HD13 LEU 18 35.881 25.676 24.356 145 HD21 LEU 18 HD21 LEU 18 32.840 27.112 26.990 146 HD22 LEU 18 HD22 LEU 18 34.466 27.798 27.016 147 HD23 LEU 18 HD23 LEU 18 33.388 28.139 25.646 148 H GLY 19 H GLY 19 30.334 26.170 24.699 149 HA2 GLY 19 HA2 GLY 19 28.816 23.988 23.260 150 HA3 GLY 19 HA3 GLY 19 28.057 25.356 24.017 151 H LYS 20 H LYS 20 27.990 24.282 21.235 152 HA LYS 20 HA LYS 20 28.513 26.772 19.691 153 HB2 LYS 20 HB2 LYS 20 30.423 25.415 19.201 154 HB3 LYS 20 HB3 LYS 20 29.435 23.957 19.018 155 HG2 LYS 20 HG2 LYS 20 28.404 24.834 16.982 156 HG3 LYS 20 HG3 LYS 20 29.272 26.363 17.147 157 HD2 LYS 20 HD2 LYS 20 30.673 23.664 16.836 158 HD3 LYS 20 HD3 LYS 20 30.144 24.652 15.469 159 HE2 LYS 20 HE2 LYS 20 31.479 26.566 16.355 160 HE3 LYS 20 HE3 LYS 20 32.139 25.505 17.611 161 HZ1 LYS 20 HZ1 LYS 20 33.440 25.789 15.418 162 HZ2 LYS 20 HZ2 LYS 20 33.253 24.237 15.962 163 HZ3 LYS 20 HZ3 LYS 20 32.321 24.801 14.740 164 H CYS 21 H CYS 21 26.854 27.369 18.452 165 HA CYS 21 HA CYS 21 24.481 25.625 18.131 166 HB2 CYS 21 HB2 CYS 21 23.988 27.842 18.738 167 HB3 CYS 21 HB3 CYS 21 25.050 28.518 17.494 168 H ILE 22 H ILE 22 23.917 24.563 16.387 169 HA ILE 22 HA ILE 22 25.336 24.827 13.780 170 HB ILE 22 HB ILE 22 25.049 22.543 13.471 171 HG12 ILE 22 HG12 ILE 22 24.233 21.979 16.324 172 HG13 ILE 22 HG13 ILE 22 22.988 22.359 15.128 173 HG21 ILE 22 HG21 ILE 22 27.122 23.388 14.542 174 HG22 ILE 22 HG22 ILE 22 26.458 22.963 16.132 175 HG23 ILE 22 HG23 ILE 22 26.786 21.700 14.933 176 HD11 ILE 22 HD11 ILE 22 25.053 20.157 14.821 177 HD12 ILE 22 HD12 ILE 22 23.331 19.943 15.217 178 HD13 ILE 22 HD13 ILE 22 23.810 20.608 13.635 179 H GLY 23 H GLY 23 23.510 23.211 12.344 180 HA2 GLY 23 HA2 GLY 23 21.419 24.964 11.635 181 HA3 GLY 23 HA3 GLY 23 21.494 23.251 11.243 182 H GLU 24 H GLU 24 20.214 25.648 13.364 183 HA GLU 24 HA GLU 24 18.593 25.841 14.838 184 HB2 GLU 24 HB2 GLU 24 17.158 23.512 13.580 185 HB3 GLU 24 HB3 GLU 24 16.462 24.912 14.385 186 HG2 GLU 24 HG2 GLU 24 17.790 24.804 11.658 187 HG3 GLU 24 HG3 GLU 24 16.086 25.030 12.010 188 H GLU 25 H GLU 25 20.744 23.882 15.676 189 HA GLU 25 HA GLU 25 19.489 23.606 18.259 190 HB2 GLU 25 HB2 GLU 25 19.813 21.410 18.735 191 HB3 GLU 25 HB3 GLU 25 19.008 21.367 17.181 192 HG2 GLU 25 HG2 GLU 25 21.028 20.642 16.077 193 HG3 GLU 25 HG3 GLU 25 22.034 21.048 17.476 194 H CYS 26 H CYS 26 21.184 22.977 19.968 195 HA CYS 26 HA CYS 26 23.929 23.811 19.128 196 HB2 CYS 26 HB2 CYS 26 22.850 25.626 20.300 197 HB3 CYS 26 HB3 CYS 26 22.436 24.574 21.650 198 H LYS 27 H LYS 27 25.628 22.712 19.860 199 HA LYS 27 HA LYS 27 25.196 20.415 21.720 200 HB2 LYS 27 HB2 LYS 27 26.336 18.887 20.404 201 HB3 LYS 27 HB3 LYS 27 25.190 19.653 19.309 202 HG2 LYS 27 HG2 LYS 27 27.135 21.146 18.551 203 HG3 LYS 27 HG3 LYS 27 28.201 20.118 19.534 204 HD2 LYS 27 HD2 LYS 27 26.382 19.044 17.325 205 HD3 LYS 27 HD3 LYS 27 28.047 19.549 17.038 206 HE2 LYS 27 HE2 LYS 27 28.940 17.877 18.486 207 HE3 LYS 27 HE3 LYS 27 27.352 17.453 19.133 208 HZ1 LYS 27 HZ1 LYS 27 26.765 16.396 17.150 209 HZ2 LYS 27 HZ2 LYS 27 27.929 17.108 16.251 210 HZ3 LYS 27 HZ3 LYS 27 28.345 15.955 17.336 211 H CYS 28 H CYS 28 27.171 19.606 22.669 212 HA CYS 28 HA CYS 28 28.948 21.854 23.371 213 HB2 CYS 28 HB2 CYS 28 29.063 19.071 24.476 214 HB3 CYS 28 HB3 CYS 28 29.725 20.555 25.143 215 H VAL 29 H VAL 29 31.212 21.660 23.381 216 HA VAL 29 HA VAL 29 32.599 19.675 21.710 217 HB VAL 29 HB VAL 29 33.682 21.666 20.453 218 HG11 VAL 29 HG11 VAL 29 30.888 20.830 19.607 219 HG12 VAL 29 HG12 VAL 29 32.196 21.429 18.576 220 HG13 VAL 29 HG13 VAL 29 32.362 19.861 19.379 221 HG21 VAL 29 HG21 VAL 29 32.490 23.500 21.642 222 HG22 VAL 29 HG22 VAL 29 32.195 23.525 19.894 223 HG23 VAL 29 HG23 VAL 29 30.947 22.918 20.983 224 H TYR 30 H TYR 30 34.528 19.314 22.493 225 HA TYR 30 HA TYR 30 35.552 20.489 24.891 226 HB2 TYR 30 HB2 TYR 30 36.661 18.625 22.785 227 HB3 TYR 30 HB3 TYR 30 37.726 19.284 24.002 228 HD1 TYR 30 HD1 TYR 30 37.260 18.923 26.454 229 HD2 TYR 30 HD2 TYR 30 35.305 16.689 23.335 230 HE1 TYR 30 HE1 TYR 30 36.698 17.127 28.093 231 HE2 TYR 30 HE2 TYR 30 34.731 14.904 24.971 232 HH TYR 30 HH TYR 30 35.220 14.068 27.128 Start of MODEL 8 1 H1 ALA 1 H1 ALA 1 12.834 27.253 14.296 2 H2 ALA 1 H2 ALA 1 12.722 28.885 14.187 3 H3 ALA 1 H3 ALA 1 11.374 28.015 14.475 4 HA ALA 1 HA ALA 1 12.150 29.158 16.431 5 HB1 ALA 1 HB1 ALA 1 10.895 27.042 16.701 6 HB2 ALA 1 HB2 ALA 1 12.431 26.141 16.669 7 HB3 ALA 1 HB3 ALA 1 12.095 27.277 17.989 8 H PHE 2 H PHE 2 13.861 29.917 17.611 9 HA PHE 2 HA PHE 2 16.438 29.575 16.349 10 HB2 PHE 2 HB2 PHE 2 15.688 31.120 18.853 11 HB3 PHE 2 HB3 PHE 2 17.183 31.296 17.936 12 HD1 PHE 2 HD1 PHE 2 13.803 32.474 18.277 13 HD2 PHE 2 HD2 PHE 2 16.982 31.938 15.419 14 HE1 PHE 2 HE1 PHE 2 12.706 34.091 16.748 15 HE2 PHE 2 HE2 PHE 2 15.885 33.561 13.895 16 HZ PHE 2 HZ PHE 2 13.735 34.634 14.555 17 H CYS 3 H CYS 3 18.467 29.047 17.293 18 HA CYS 3 HA CYS 3 18.451 26.869 19.272 19 HB2 CYS 3 HB2 CYS 3 20.835 26.733 18.785 20 HB3 CYS 3 HB3 CYS 3 19.878 26.712 17.317 21 H ASN 4 H ASN 4 19.046 27.024 21.384 22 HA ASN 4 HA ASN 4 19.176 29.747 22.573 23 HB2 ASN 4 HB2 ASN 4 18.391 26.995 23.599 24 HB3 ASN 4 HB3 ASN 4 18.716 28.339 24.695 25 HD21 ASN 4 HD21 ASN 4 15.210 28.374 22.717 26 HD22 ASN 4 HD22 ASN 4 16.267 26.962 22.680 27 H LEU 5 H LEU 5 21.350 30.183 21.947 28 HA LEU 5 HA LEU 5 23.467 28.370 22.530 29 HB2 LEU 5 HB2 LEU 5 23.459 30.043 20.708 30 HB3 LEU 5 HB3 LEU 5 23.577 31.340 21.899 31 HG LEU 5 HG LEU 5 25.801 30.503 22.613 32 HD11 LEU 5 HD11 LEU 5 25.411 28.435 20.409 33 HD12 LEU 5 HD12 LEU 5 26.963 28.812 21.193 34 HD13 LEU 5 HD13 LEU 5 25.660 28.118 22.149 35 HD21 LEU 5 HD21 LEU 5 25.619 32.169 20.817 36 HD22 LEU 5 HD22 LEU 5 27.001 31.098 20.538 37 HD23 LEU 5 HD23 LEU 5 25.508 30.873 19.603 38 H ARG 6 H ARG 6 22.318 31.209 24.419 39 HA ARG 6 HA ARG 6 24.556 31.215 26.255 40 HB2 ARG 6 HB2 ARG 6 21.721 32.203 26.698 41 HB3 ARG 6 HB3 ARG 6 23.088 32.497 27.772 42 HG2 ARG 6 HG2 ARG 6 24.214 33.592 25.688 43 HG3 ARG 6 HG3 ARG 6 22.579 33.621 25.008 44 HD2 ARG 6 HD2 ARG 6 23.567 34.940 27.576 45 HD3 ARG 6 HD3 ARG 6 23.043 35.746 26.085 46 HE ARG 6 HE ARG 6 20.956 34.081 27.252 47 HH11 ARG 6 HH11 ARG 6 22.449 37.230 27.790 48 HH12 ARG 6 HH12 ARG 6 20.961 37.862 28.477 49 HH21 ARG 6 HH21 ARG 6 19.134 35.030 27.948 50 HH22 ARG 6 HH22 ARG 6 19.108 36.709 28.422 51 H ARG 7 H ARG 7 21.347 29.664 26.472 52 HA ARG 7 HA ARG 7 21.864 28.328 29.020 53 HB2 ARG 7 HB2 ARG 7 19.803 27.887 26.820 54 HB3 ARG 7 HB3 ARG 7 19.871 26.909 28.290 55 HG2 ARG 7 HG2 ARG 7 19.549 28.896 29.700 56 HG3 ARG 7 HG3 ARG 7 19.559 29.933 28.271 57 HD2 ARG 7 HD2 ARG 7 17.263 29.618 28.905 58 HD3 ARG 7 HD3 ARG 7 17.545 28.746 27.404 59 HE ARG 7 HE ARG 7 17.238 26.704 28.465 60 HH11 ARG 7 HH11 ARG 7 17.308 29.205 30.953 61 HH12 ARG 7 HH12 ARG 7 16.632 28.142 32.160 62 HH21 ARG 7 HH21 ARG 7 16.222 25.448 30.061 63 HH22 ARG 7 HH22 ARG 7 16.027 26.093 31.664 64 H CYS 8 H CYS 8 22.387 27.385 25.637 65 HA CYS 8 HA CYS 8 23.155 24.671 26.148 66 HB2 CYS 8 HB2 CYS 8 22.553 25.484 23.945 67 HB3 CYS 8 HB3 CYS 8 23.873 26.646 23.973 68 H GLU 9 H GLU 9 25.234 27.635 25.746 69 HA GLU 9 HA GLU 9 27.731 26.488 26.350 70 HB2 GLU 9 HB2 GLU 9 26.494 29.224 26.772 71 HB3 GLU 9 HB3 GLU 9 28.108 28.912 27.379 72 HG2 GLU 9 HG2 GLU 9 27.465 28.303 24.479 73 HG3 GLU 9 HG3 GLU 9 27.785 29.957 25.009 74 H LEU 10 H LEU 10 25.305 27.799 28.709 75 HA LEU 10 HA LEU 10 26.824 27.375 31.043 76 HB2 LEU 10 HB2 LEU 10 25.134 29.064 30.795 77 HB3 LEU 10 HB3 LEU 10 23.963 27.910 30.153 78 HG LEU 10 HG LEU 10 23.815 26.819 32.262 79 HD11 LEU 10 HD11 LEU 10 24.670 27.904 34.335 80 HD12 LEU 10 HD12 LEU 10 26.023 27.553 33.239 81 HD13 LEU 10 HD13 LEU 10 25.396 29.198 33.351 82 HD21 LEU 10 HD21 LEU 10 22.497 28.618 33.409 83 HD22 LEU 10 HD22 LEU 10 23.214 29.803 32.293 84 HD23 LEU 10 HD23 LEU 10 22.168 28.507 31.670 85 H SER 11 H SER 11 24.726 25.261 29.142 86 HA SER 11 HA SER 11 24.575 23.124 31.148 87 HB2 SER 11 HB2 SER 11 22.728 23.504 29.635 88 HB3 SER 11 HB3 SER 11 23.786 23.317 28.223 89 HG SER 11 HG SER 11 22.489 21.432 28.846 90 H CYS 12 H CYS 12 26.519 23.778 28.186 91 HA CYS 12 HA CYS 12 27.959 21.275 28.265 92 HB2 CYS 12 HB2 CYS 12 28.755 23.935 27.027 93 HB3 CYS 12 HB3 CYS 12 29.473 22.366 26.656 94 H ARG 13 H ARG 13 28.485 24.428 29.881 95 HA ARG 13 HA ARG 13 31.113 23.983 30.862 96 HB2 ARG 13 HB2 ARG 13 29.797 26.117 30.895 97 HB3 ARG 13 HB3 ARG 13 28.817 25.462 32.210 98 HG2 ARG 13 HG2 ARG 13 30.896 25.295 33.622 99 HG3 ARG 13 HG3 ARG 13 31.839 25.927 32.268 100 HD2 ARG 13 HD2 ARG 13 31.436 27.695 33.831 101 HD3 ARG 13 HD3 ARG 13 30.510 28.040 32.357 102 HE ARG 13 HE ARG 13 28.697 26.674 33.918 103 HH11 ARG 13 HH11 ARG 13 30.609 29.550 34.655 104 HH12 ARG 13 HH12 ARG 13 29.447 30.060 35.863 105 HH21 ARG 13 HH21 ARG 13 27.399 27.338 35.449 106 HH22 ARG 13 HH22 ARG 13 27.655 28.891 36.267 107 H SER 14 H SER 14 28.077 22.546 31.945 108 HA SER 14 HA SER 14 28.998 21.442 34.424 109 HB2 SER 14 HB2 SER 14 26.897 20.324 32.525 110 HB3 SER 14 HB3 SER 14 27.050 20.006 34.263 111 HG SER 14 HG SER 14 25.488 21.743 33.574 112 H LEU 15 H LEU 15 29.525 20.412 31.088 113 HA LEU 15 HA LEU 15 30.813 17.872 31.907 114 HB2 LEU 15 HB2 LEU 15 30.886 19.160 29.180 115 HB3 LEU 15 HB3 LEU 15 31.132 17.469 29.599 116 HG LEU 15 HG LEU 15 28.548 19.030 29.484 117 HD11 LEU 15 HD11 LEU 15 27.951 17.359 27.784 118 HD12 LEU 15 HD12 LEU 15 29.418 18.249 27.345 119 HD13 LEU 15 HD13 LEU 15 29.538 16.586 27.974 120 HD21 LEU 15 HD21 LEU 15 28.373 17.475 31.427 121 HD22 LEU 15 HD22 LEU 15 27.420 16.850 30.082 122 HD23 LEU 15 HD23 LEU 15 29.008 16.148 30.430 123 H GLY 16 H GLY 16 31.631 21.192 31.516 124 HA2 GLY 16 HA2 GLY 16 33.660 22.269 31.910 125 HA3 GLY 16 HA3 GLY 16 34.533 20.737 31.821 126 H LEU 17 H LEU 17 32.241 21.904 29.303 127 HA LEU 17 HA LEU 17 34.444 22.854 27.616 128 HB2 LEU 17 HB2 LEU 17 33.575 21.426 25.686 129 HB3 LEU 17 HB3 LEU 17 34.658 20.707 26.852 130 HG LEU 17 HG LEU 17 31.802 20.292 27.535 131 HD11 LEU 17 HD11 LEU 17 31.234 18.759 25.828 132 HD12 LEU 17 HD12 LEU 17 31.688 20.298 25.055 133 HD13 LEU 17 HD13 LEU 17 32.818 18.938 25.029 134 HD21 LEU 17 HD21 LEU 17 33.714 19.022 28.557 135 HD22 LEU 17 HD22 LEU 17 32.606 17.926 27.703 136 HD23 LEU 17 HD23 LEU 17 34.139 18.400 26.948 137 H LEU 18 H LEU 18 33.679 23.603 25.450 138 HA LEU 18 HA LEU 18 31.684 25.679 25.871 139 HB2 LEU 18 HB2 LEU 18 33.414 24.822 23.519 140 HB3 LEU 18 HB3 LEU 18 32.283 26.165 23.396 141 HG LEU 18 HG LEU 18 34.379 26.109 25.560 142 HD11 LEU 18 HD11 LEU 18 34.644 27.264 22.750 143 HD12 LEU 18 HD12 LEU 18 35.804 27.487 24.076 144 HD13 LEU 18 HD13 LEU 18 35.549 25.873 23.398 145 HD21 LEU 18 HD21 LEU 18 32.876 28.381 24.208 146 HD22 LEU 18 HD22 LEU 18 32.601 27.763 25.852 147 HD23 LEU 18 HD23 LEU 18 34.131 28.561 25.453 148 H GLY 19 H GLY 19 29.996 26.151 24.486 149 HA2 GLY 19 HA2 GLY 19 28.699 23.882 22.996 150 HA3 GLY 19 HA3 GLY 19 27.774 25.031 23.942 151 H LYS 20 H LYS 20 27.862 24.277 20.979 152 HA LYS 20 HA LYS 20 27.847 27.044 19.882 153 HB2 LYS 20 HB2 LYS 20 29.103 26.523 17.984 154 HB3 LYS 20 HB3 LYS 20 30.042 26.048 19.401 155 HG2 LYS 20 HG2 LYS 20 29.220 23.651 19.013 156 HG3 LYS 20 HG3 LYS 20 28.530 24.206 17.482 157 HD2 LYS 20 HD2 LYS 20 31.441 24.317 18.311 158 HD3 LYS 20 HD3 LYS 20 30.724 23.190 17.140 159 HE2 LYS 20 HE2 LYS 20 30.062 25.253 15.770 160 HE3 LYS 20 HE3 LYS 20 31.036 26.206 16.911 161 HZ1 LYS 20 HZ1 LYS 20 32.443 25.735 15.136 162 HZ2 LYS 20 HZ2 LYS 20 32.909 24.637 16.275 163 HZ3 LYS 20 HZ3 LYS 20 31.999 24.166 15.004 164 H CYS 21 H CYS 21 26.407 27.480 18.261 165 HA CYS 21 HA CYS 21 24.067 25.761 18.109 166 HB2 CYS 21 HB2 CYS 21 23.846 28.149 18.276 167 HB3 CYS 21 HB3 CYS 21 24.814 28.400 16.820 168 H ILE 22 H ILE 22 23.332 24.511 16.487 169 HA ILE 22 HA ILE 22 24.959 24.103 14.025 170 HB ILE 22 HB ILE 22 24.400 21.858 14.102 171 HG12 ILE 22 HG12 ILE 22 23.097 22.002 16.826 172 HG13 ILE 22 HG13 ILE 22 22.115 22.266 15.378 173 HG21 ILE 22 HG21 ILE 22 25.439 22.631 16.859 174 HG22 ILE 22 HG22 ILE 22 25.738 21.117 15.981 175 HG23 ILE 22 HG23 ILE 22 26.392 22.633 15.363 176 HD11 ILE 22 HD11 ILE 22 22.042 19.913 15.958 177 HD12 ILE 22 HD12 ILE 22 22.914 20.149 14.422 178 HD13 ILE 22 HD13 ILE 22 23.821 19.817 15.912 179 H GLY 23 H GLY 23 22.330 25.698 14.710 180 HA2 GLY 23 HA2 GLY 23 21.021 26.246 12.525 181 HA3 GLY 23 HA3 GLY 23 20.477 24.569 12.654 182 H GLU 24 H GLU 24 18.899 24.044 14.088 183 HA GLU 24 HA GLU 24 17.716 26.171 15.834 184 HB2 GLU 24 HB2 GLU 24 16.441 23.580 14.859 185 HB3 GLU 24 HB3 GLU 24 15.677 24.870 15.801 186 HG2 GLU 24 HG2 GLU 24 16.448 26.410 13.787 187 HG3 GLU 24 HG3 GLU 24 16.519 24.886 12.894 188 H GLU 25 H GLU 25 19.940 23.889 16.119 189 HA GLU 25 HA GLU 25 19.345 23.296 18.971 190 HB2 GLU 25 HB2 GLU 25 19.826 21.404 16.710 191 HB3 GLU 25 HB3 GLU 25 20.886 21.126 18.077 192 HG2 GLU 25 HG2 GLU 25 17.855 21.223 18.156 193 HG3 GLU 25 HG3 GLU 25 18.871 19.789 18.285 194 H CYS 26 H CYS 26 21.380 22.433 20.077 195 HA CYS 26 HA CYS 26 23.836 23.754 19.113 196 HB2 CYS 26 HB2 CYS 26 22.693 25.488 20.339 197 HB3 CYS 26 HB3 CYS 26 22.452 24.427 21.724 198 H LYS 27 H LYS 27 25.675 22.786 19.669 199 HA LYS 27 HA LYS 27 25.551 20.142 21.082 200 HB2 LYS 27 HB2 LYS 27 25.603 19.925 18.666 201 HB3 LYS 27 HB3 LYS 27 26.842 21.177 18.532 202 HG2 LYS 27 HG2 LYS 27 28.469 19.679 19.672 203 HG3 LYS 27 HG3 LYS 27 27.254 18.379 19.665 204 HD2 LYS 27 HD2 LYS 27 27.256 18.314 17.238 205 HD3 LYS 27 HD3 LYS 27 28.125 19.868 17.142 206 HE2 LYS 27 HE2 LYS 27 30.021 18.834 18.382 207 HE3 LYS 27 HE3 LYS 27 29.230 17.254 18.225 208 HZ1 LYS 27 HZ1 LYS 27 30.873 17.707 16.463 209 HZ2 LYS 27 HZ2 LYS 27 29.370 17.514 15.796 210 HZ3 LYS 27 HZ3 LYS 27 30.039 19.015 15.969 211 H CYS 28 H CYS 28 27.298 19.604 22.408 212 HA CYS 28 HA CYS 28 29.100 21.831 23.128 213 HB2 CYS 28 HB2 CYS 28 28.989 19.156 24.508 214 HB3 CYS 28 HB3 CYS 28 29.636 20.686 25.090 215 H VAL 29 H VAL 29 31.361 21.745 23.019 216 HA VAL 29 HA VAL 29 32.662 19.423 21.689 217 HB VAL 29 HB VAL 29 33.891 21.019 20.174 218 HG11 VAL 29 HG11 VAL 29 32.176 19.423 19.376 219 HG12 VAL 29 HG12 VAL 29 30.929 20.673 19.597 220 HG13 VAL 29 HG13 VAL 29 32.232 20.910 18.415 221 HG21 VAL 29 HG21 VAL 29 32.878 23.076 19.501 222 HG22 VAL 29 HG22 VAL 29 31.490 22.847 20.589 223 HG23 VAL 29 HG23 VAL 29 33.103 23.172 21.247 224 H TYR 30 H TYR 30 34.516 18.907 22.505 225 HA TYR 30 HA TYR 30 35.657 20.013 24.818 226 HB2 TYR 30 HB2 TYR 30 36.675 18.102 22.707 227 HB3 TYR 30 HB3 TYR 30 37.713 18.638 24.006 228 HD1 TYR 30 HD1 TYR 30 34.149 17.330 23.764 229 HD2 TYR 30 HD2 TYR 30 37.966 17.160 25.753 230 HE1 TYR 30 HE1 TYR 30 33.288 15.560 25.250 231 HE2 TYR 30 HE2 TYR 30 37.113 15.348 27.224 232 HH TYR 30 HH TYR 30 35.305 13.995 27.764 Start of MODEL 9 1 H1 ALA 1 H1 ALA 1 10.982 31.959 15.836 2 H2 ALA 1 H2 ALA 1 11.357 30.384 15.488 3 H3 ALA 1 H3 ALA 1 12.220 31.598 14.804 4 HA ALA 1 HA ALA 1 13.067 32.290 16.915 5 HB1 ALA 1 HB1 ALA 1 12.722 30.875 18.896 6 HB2 ALA 1 HB2 ALA 1 11.180 31.528 18.311 7 HB3 ALA 1 HB3 ALA 1 11.609 29.834 17.984 8 H PHE 2 H PHE 2 15.138 31.953 16.642 9 HA PHE 2 HA PHE 2 16.162 29.408 15.558 10 HB2 PHE 2 HB2 PHE 2 17.552 32.022 16.140 11 HB3 PHE 2 HB3 PHE 2 18.212 30.685 15.221 12 HD1 PHE 2 HD1 PHE 2 16.085 29.927 13.352 13 HD2 PHE 2 HD2 PHE 2 17.308 33.844 14.680 14 HE1 PHE 2 HE1 PHE 2 15.198 30.915 11.259 15 HE2 PHE 2 HE2 PHE 2 16.472 34.826 12.568 16 HZ PHE 2 HZ PHE 2 15.402 33.366 10.853 17 H CYS 3 H CYS 3 18.410 28.781 16.423 18 HA CYS 3 HA CYS 3 17.872 27.538 18.873 19 HB2 CYS 3 HB2 CYS 3 20.198 26.636 18.595 20 HB3 CYS 3 HB3 CYS 3 19.111 26.432 17.231 21 H ASN 4 H ASN 4 19.037 27.309 20.740 22 HA ASN 4 HA ASN 4 19.449 29.792 22.155 23 HB2 ASN 4 HB2 ASN 4 19.577 26.856 22.977 24 HB3 ASN 4 HB3 ASN 4 19.713 28.205 24.106 25 HD21 ASN 4 HD21 ASN 4 16.033 27.281 22.633 26 HD22 ASN 4 HD22 ASN 4 17.454 26.469 21.981 27 H LEU 5 H LEU 5 21.200 30.463 23.409 28 HA LEU 5 HA LEU 5 23.877 29.463 22.543 29 HB2 LEU 5 HB2 LEU 5 23.023 31.397 21.213 30 HB3 LEU 5 HB3 LEU 5 23.097 32.388 22.660 31 HG LEU 5 HG LEU 5 25.494 30.964 21.428 32 HD11 LEU 5 HD11 LEU 5 24.550 32.631 19.883 33 HD12 LEU 5 HD12 LEU 5 24.604 33.861 21.168 34 HD13 LEU 5 HD13 LEU 5 26.108 33.160 20.529 35 HD21 LEU 5 HD21 LEU 5 26.771 32.706 22.743 36 HD22 LEU 5 HD22 LEU 5 25.263 33.145 23.557 37 HD23 LEU 5 HD23 LEU 5 25.972 31.520 23.758 38 H ARG 6 H ARG 6 22.649 31.924 24.917 39 HA ARG 6 HA ARG 6 24.762 31.437 26.791 40 HB2 ARG 6 HB2 ARG 6 21.968 32.386 27.398 41 HB3 ARG 6 HB3 ARG 6 23.394 32.561 28.430 42 HG2 ARG 6 HG2 ARG 6 24.465 33.953 26.611 43 HG3 ARG 6 HG3 ARG 6 22.945 33.896 25.721 44 HD2 ARG 6 HD2 ARG 6 23.455 35.127 28.435 45 HD3 ARG 6 HD3 ARG 6 23.052 35.970 26.929 46 HE ARG 6 HE ARG 6 20.972 34.092 27.612 47 HH11 ARG 6 HH11 ARG 6 22.046 37.296 28.644 48 HH12 ARG 6 HH12 ARG 6 20.449 37.643 29.294 49 HH21 ARG 6 HH21 ARG 6 19.067 34.652 28.500 50 HH22 ARG 6 HH22 ARG 6 18.937 36.098 29.444 51 H ARG 7 H ARG 7 21.489 29.991 26.656 52 HA ARG 7 HA ARG 7 21.905 28.181 28.895 53 HB2 ARG 7 HB2 ARG 7 19.857 28.289 26.655 54 HB3 ARG 7 HB3 ARG 7 19.863 27.009 27.871 55 HG2 ARG 7 HG2 ARG 7 19.625 28.575 29.690 56 HG3 ARG 7 HG3 ARG 7 19.760 29.966 28.607 57 HD2 ARG 7 HD2 ARG 7 17.576 27.864 28.338 58 HD3 ARG 7 HD3 ARG 7 17.420 29.305 29.362 59 HE ARG 7 HE ARG 7 18.197 30.011 26.661 60 HH11 ARG 7 HH11 ARG 7 15.379 29.037 28.489 61 HH12 ARG 7 HH12 ARG 7 14.294 30.012 27.520 62 HH21 ARG 7 HH21 ARG 7 16.803 31.151 25.444 63 HH22 ARG 7 HH22 ARG 7 15.084 31.165 25.809 64 H CYS 8 H CYS 8 22.840 27.936 25.558 65 HA CYS 8 HA CYS 8 23.353 25.053 25.635 66 HB2 CYS 8 HB2 CYS 8 22.900 26.202 23.511 67 HB3 CYS 8 HB3 CYS 8 24.298 27.243 23.746 68 H GLU 9 H GLU 9 25.408 28.027 25.786 69 HA GLU 9 HA GLU 9 27.869 26.814 26.389 70 HB2 GLU 9 HB2 GLU 9 26.627 29.467 27.185 71 HB3 GLU 9 HB3 GLU 9 28.278 29.073 27.606 72 HG2 GLU 9 HG2 GLU 9 27.322 28.895 24.723 73 HG3 GLU 9 HG3 GLU 9 27.783 30.431 25.446 74 H LEU 10 H LEU 10 25.438 27.958 28.842 75 HA LEU 10 HA LEU 10 26.974 27.004 31.037 76 HB2 LEU 10 HB2 LEU 10 25.302 27.765 32.382 77 HB3 LEU 10 HB3 LEU 10 25.134 28.739 30.934 78 HG LEU 10 HG LEU 10 23.304 26.934 30.284 79 HD11 LEU 10 HD11 LEU 10 23.389 26.762 33.327 80 HD12 LEU 10 HD12 LEU 10 22.066 26.175 32.304 81 HD13 LEU 10 HD13 LEU 10 23.649 25.409 32.208 82 HD21 LEU 10 HD21 LEU 10 22.812 28.982 32.471 83 HD22 LEU 10 HD22 LEU 10 22.883 29.347 30.735 84 HD23 LEU 10 HD23 LEU 10 21.590 28.311 31.374 85 H SER 11 H SER 11 24.721 25.305 28.964 86 HA SER 11 HA SER 11 24.472 22.892 30.556 87 HB2 SER 11 HB2 SER 11 22.906 23.489 28.710 88 HB3 SER 11 HB3 SER 11 24.246 23.270 27.551 89 HG SER 11 HG SER 11 22.700 21.421 27.959 90 H CYS 12 H CYS 12 26.809 24.045 28.127 91 HA CYS 12 HA CYS 12 28.198 21.503 28.004 92 HB2 CYS 12 HB2 CYS 12 29.070 24.239 27.044 93 HB3 CYS 12 HB3 CYS 12 29.766 22.670 26.599 94 H ARG 13 H ARG 13 28.650 24.442 30.073 95 HA ARG 13 HA ARG 13 31.086 23.657 31.288 96 HB2 ARG 13 HB2 ARG 13 28.643 24.787 32.706 97 HB3 ARG 13 HB3 ARG 13 30.322 24.900 33.185 98 HG2 ARG 13 HG2 ARG 13 28.989 26.303 30.891 99 HG3 ARG 13 HG3 ARG 13 29.619 27.029 32.359 100 HD2 ARG 13 HD2 ARG 13 31.907 26.545 31.672 101 HD3 ARG 13 HD3 ARG 13 31.349 25.631 30.263 102 HE ARG 13 HE ARG 13 30.864 28.557 30.692 103 HH11 ARG 13 HH11 ARG 13 31.096 25.915 28.303 104 HH12 ARG 13 HH12 ARG 13 30.658 27.097 27.056 105 HH21 ARG 13 HH21 ARG 13 30.769 29.854 28.908 106 HH22 ARG 13 HH22 ARG 13 30.700 29.081 27.325 107 H SER 14 H SER 14 27.813 22.323 31.817 108 HA SER 14 HA SER 14 28.485 20.644 34.013 109 HB2 SER 14 HB2 SER 14 26.386 20.254 31.859 110 HB3 SER 14 HB3 SER 14 26.462 19.373 33.382 111 HG SER 14 HG SER 14 26.088 21.166 34.510 112 H LEU 15 H LEU 15 29.367 20.280 30.656 113 HA LEU 15 HA LEU 15 30.306 17.474 31.091 114 HB2 LEU 15 HB2 LEU 15 30.638 19.168 28.618 115 HB3 LEU 15 HB3 LEU 15 30.801 17.424 28.767 116 HG LEU 15 HG LEU 15 28.316 19.136 28.657 117 HD11 LEU 15 HD11 LEU 15 27.838 17.801 26.683 118 HD12 LEU 15 HD12 LEU 15 29.466 18.485 26.563 119 HD13 LEU 15 HD13 LEU 15 29.255 16.775 26.985 120 HD21 LEU 15 HD21 LEU 15 28.440 16.143 29.266 121 HD22 LEU 15 HD22 LEU 15 27.822 17.396 30.360 122 HD23 LEU 15 HD23 LEU 15 26.963 17.044 28.856 123 H GLY 16 H GLY 16 31.342 20.777 30.900 124 HA2 GLY 16 HA2 GLY 16 33.351 21.652 31.789 125 HA3 GLY 16 HA3 GLY 16 34.180 20.138 31.447 126 H LEU 17 H LEU 17 32.127 21.764 29.020 127 HA LEU 17 HA LEU 17 34.519 22.680 27.511 128 HB2 LEU 17 HB2 LEU 17 32.609 21.665 25.620 129 HB3 LEU 17 HB3 LEU 17 34.307 21.286 25.786 130 HG LEU 17 HG LEU 17 32.162 19.937 27.389 131 HD11 LEU 17 HD11 LEU 17 31.553 19.667 25.052 132 HD12 LEU 17 HD12 LEU 17 33.170 19.036 24.683 133 HD13 LEU 17 HD13 LEU 17 32.067 18.139 25.758 134 HD21 LEU 17 HD21 LEU 17 34.906 18.998 26.413 135 HD22 LEU 17 HD22 LEU 17 34.566 19.490 28.076 136 HD23 LEU 17 HD23 LEU 17 33.803 18.035 27.422 137 H LEU 18 H LEU 18 33.672 23.656 25.377 138 HA LEU 18 HA LEU 18 31.957 26.000 25.932 139 HB2 LEU 18 HB2 LEU 18 33.768 25.146 23.671 140 HB3 LEU 18 HB3 LEU 18 32.553 26.388 23.388 141 HG LEU 18 HG LEU 18 34.630 26.588 25.579 142 HD11 LEU 18 HD11 LEU 18 34.582 27.854 22.802 143 HD12 LEU 18 HD12 LEU 18 35.799 28.152 24.062 144 HD13 LEU 18 HD13 LEU 18 35.669 26.548 23.320 145 HD21 LEU 18 HD21 LEU 18 34.056 29.029 25.450 146 HD22 LEU 18 HD22 LEU 18 32.713 28.617 24.368 147 HD23 LEU 18 HD23 LEU 18 32.731 28.035 26.044 148 H GLY 19 H GLY 19 30.276 26.585 24.424 149 HA2 GLY 19 HA2 GLY 19 28.878 24.255 23.113 150 HA3 GLY 19 HA3 GLY 19 28.012 25.444 24.069 151 H LYS 20 H LYS 20 27.977 24.536 21.147 152 HA LYS 20 HA LYS 20 27.586 27.246 19.966 153 HB2 LYS 20 HB2 LYS 20 29.152 24.956 18.673 154 HB3 LYS 20 HB3 LYS 20 28.517 26.350 17.790 155 HG2 LYS 20 HG2 LYS 20 29.815 27.874 19.226 156 HG3 LYS 20 HG3 LYS 20 30.531 26.471 20.061 157 HD2 LYS 20 HD2 LYS 20 31.582 25.741 17.944 158 HD3 LYS 20 HD3 LYS 20 30.866 27.143 17.110 159 HE2 LYS 20 HE2 LYS 20 31.997 28.664 18.731 160 HE3 LYS 20 HE3 LYS 20 32.728 27.277 19.534 161 HZ1 LYS 20 HZ1 LYS 20 33.219 28.064 16.706 162 HZ2 LYS 20 HZ2 LYS 20 34.239 28.339 17.971 163 HZ3 LYS 20 HZ3 LYS 20 33.970 26.810 17.509 164 H CYS 21 H CYS 21 25.891 27.349 18.429 165 HA CYS 21 HA CYS 21 24.081 25.045 18.344 166 HB2 CYS 21 HB2 CYS 21 23.125 27.221 18.434 167 HB3 CYS 21 HB3 CYS 21 24.035 27.758 17.020 168 H ILE 22 H ILE 22 24.076 23.464 16.895 169 HA ILE 22 HA ILE 22 25.361 23.739 14.226 170 HB ILE 22 HB ILE 22 25.740 21.426 16.163 171 HG12 ILE 22 HG12 ILE 22 27.247 23.296 16.711 172 HG13 ILE 22 HG13 ILE 22 28.095 21.865 16.167 173 HG21 ILE 22 HG21 ILE 22 25.489 20.499 13.954 174 HG22 ILE 22 HG22 ILE 22 26.602 21.691 13.256 175 HG23 ILE 22 HG23 ILE 22 27.199 20.445 14.374 176 HD11 ILE 22 HD11 ILE 22 29.085 23.954 15.283 177 HD12 ILE 22 HD12 ILE 22 28.547 22.878 13.984 178 HD13 ILE 22 HD13 ILE 22 27.583 24.308 14.414 179 H GLY 23 H GLY 23 23.874 23.268 12.731 180 HA2 GLY 23 HA2 GLY 23 21.988 22.427 11.715 181 HA3 GLY 23 HA3 GLY 23 22.151 20.994 12.738 182 H GLU 24 H GLU 24 21.443 24.402 13.595 183 HA GLU 24 HA GLU 24 19.736 25.438 14.630 184 HB2 GLU 24 HB2 GLU 24 17.877 23.220 13.765 185 HB3 GLU 24 HB3 GLU 24 17.459 24.879 14.133 186 HG2 GLU 24 HG2 GLU 24 19.139 23.995 11.737 187 HG3 GLU 24 HG3 GLU 24 17.428 24.339 11.725 188 H GLU 25 H GLU 25 21.155 23.079 16.078 189 HA GLU 25 HA GLU 25 19.591 23.252 18.605 190 HB2 GLU 25 HB2 GLU 25 20.415 20.800 17.065 191 HB3 GLU 25 HB3 GLU 25 20.619 20.734 18.801 192 HG2 GLU 25 HG2 GLU 25 17.985 21.399 17.432 193 HG3 GLU 25 HG3 GLU 25 18.455 19.795 17.995 194 H CYS 26 H CYS 26 20.871 22.970 20.532 195 HA CYS 26 HA CYS 26 23.582 23.901 20.441 196 HB2 CYS 26 HB2 CYS 26 22.095 24.224 22.352 197 HB3 CYS 26 HB3 CYS 26 21.962 22.482 22.568 198 H LYS 27 H LYS 27 25.477 22.911 20.351 199 HA LYS 27 HA LYS 27 25.850 20.028 20.983 200 HB2 LYS 27 HB2 LYS 27 25.789 20.328 18.479 201 HB3 LYS 27 HB3 LYS 27 27.041 21.557 18.624 202 HG2 LYS 27 HG2 LYS 27 28.232 19.666 17.946 203 HG3 LYS 27 HG3 LYS 27 28.535 19.734 19.669 204 HD2 LYS 27 HD2 LYS 27 28.073 17.458 19.326 205 HD3 LYS 27 HD3 LYS 27 26.524 18.072 19.888 206 HE2 LYS 27 HE2 LYS 27 25.931 16.761 18.046 207 HE3 LYS 27 HE3 LYS 27 25.955 18.385 17.361 208 HZ1 LYS 27 HZ1 LYS 27 28.309 17.827 16.596 209 HZ2 LYS 27 HZ2 LYS 27 28.033 16.277 17.079 210 HZ3 LYS 27 HZ3 LYS 27 27.128 16.952 15.894 211 H CYS 28 H CYS 28 27.453 19.794 22.472 212 HA CYS 28 HA CYS 28 29.093 22.145 23.181 213 HB2 CYS 28 HB2 CYS 28 29.006 19.442 24.522 214 HB3 CYS 28 HB3 CYS 28 29.771 20.914 25.111 215 H VAL 29 H VAL 29 31.338 22.203 23.192 216 HA VAL 29 HA VAL 29 32.734 20.214 21.487 217 HB VAL 29 HB VAL 29 33.679 22.038 20.119 218 HG11 VAL 29 HG11 VAL 29 31.779 20.656 19.320 219 HG12 VAL 29 HG12 VAL 29 30.650 21.887 19.931 220 HG13 VAL 29 HG13 VAL 29 31.789 22.292 18.637 221 HG21 VAL 29 HG21 VAL 29 31.519 23.805 21.342 222 HG22 VAL 29 HG22 VAL 29 33.276 24.011 21.536 223 HG23 VAL 29 HG23 VAL 29 32.538 24.204 19.944 224 H TYR 30 H TYR 30 34.690 19.726 22.024 225 HA TYR 30 HA TYR 30 36.213 20.999 24.147 226 HB2 TYR 30 HB2 TYR 30 36.764 18.889 22.060 227 HB3 TYR 30 HB3 TYR 30 38.077 19.642 22.943 228 HD1 TYR 30 HD1 TYR 30 38.537 19.273 25.231 229 HD2 TYR 30 HD2 TYR 30 35.146 17.395 23.334 230 HE1 TYR 30 HE1 TYR 30 38.388 17.651 27.111 231 HE2 TYR 30 HE2 TYR 30 34.986 15.783 25.229 232 HH TYR 30 HH TYR 30 35.722 15.332 27.401 Start of MODEL 10 1 H1 ALA 1 H1 ALA 1 12.342 30.388 15.150 2 H2 ALA 1 H2 ALA 1 11.307 29.489 16.056 3 H3 ALA 1 H3 ALA 1 12.477 28.745 15.137 4 HA ALA 1 HA ALA 1 12.962 30.525 17.415 5 HB1 ALA 1 HB1 ALA 1 13.401 27.510 17.280 6 HB2 ALA 1 HB2 ALA 1 13.664 28.569 18.678 7 HB3 ALA 1 HB3 ALA 1 12.024 28.267 18.085 8 H PHE 2 H PHE 2 15.057 31.019 17.878 9 HA PHE 2 HA PHE 2 17.215 30.308 15.954 10 HB2 PHE 2 HB2 PHE 2 17.107 32.120 18.398 11 HB3 PHE 2 HB3 PHE 2 18.562 31.812 17.464 12 HD1 PHE 2 HD1 PHE 2 15.409 33.662 17.557 13 HD2 PHE 2 HD2 PHE 2 18.772 32.562 15.094 14 HE1 PHE 2 HE1 PHE 2 14.869 35.507 15.989 15 HE2 PHE 2 HE2 PHE 2 18.210 34.387 13.511 16 HZ PHE 2 HZ PHE 2 16.255 35.864 13.957 17 H CYS 3 H CYS 3 19.323 29.641 16.990 18 HA CYS 3 HA CYS 3 19.247 27.242 18.500 19 HB2 CYS 3 HB2 CYS 3 21.105 27.888 17.089 20 HB3 CYS 3 HB3 CYS 3 21.332 29.379 18.008 21 H ASN 4 H ASN 4 18.930 26.862 20.621 22 HA ASN 4 HA ASN 4 18.580 28.977 22.610 23 HB2 ASN 4 HB2 ASN 4 18.485 25.946 22.793 24 HB3 ASN 4 HB3 ASN 4 18.090 27.041 24.119 25 HD21 ASN 4 HD21 ASN 4 15.345 26.405 21.174 26 HD22 ASN 4 HD22 ASN 4 17.030 25.977 20.873 27 H LEU 5 H LEU 5 20.912 29.579 21.963 28 HA LEU 5 HA LEU 5 23.150 28.079 22.660 29 HB2 LEU 5 HB2 LEU 5 23.037 29.893 21.043 30 HB3 LEU 5 HB3 LEU 5 22.775 31.076 22.300 31 HG LEU 5 HG LEU 5 25.032 31.004 21.235 32 HD11 LEU 5 HD11 LEU 5 25.185 30.639 24.241 33 HD12 LEU 5 HD12 LEU 5 26.298 31.507 23.183 34 HD13 LEU 5 HD13 LEU 5 24.653 32.117 23.407 35 HD21 LEU 5 HD21 LEU 5 25.482 28.495 22.892 36 HD22 LEU 5 HD22 LEU 5 25.359 28.561 21.125 37 HD23 LEU 5 HD23 LEU 5 26.696 29.378 21.948 38 H ARG 6 H ARG 6 21.674 30.725 24.675 39 HA ARG 6 HA ARG 6 23.817 30.722 26.564 40 HB2 ARG 6 HB2 ARG 6 20.965 31.692 26.695 41 HB3 ARG 6 HB3 ARG 6 22.067 31.851 28.072 42 HG2 ARG 6 HG2 ARG 6 23.668 33.122 26.770 43 HG3 ARG 6 HG3 ARG 6 22.737 32.893 25.288 44 HD2 ARG 6 HD2 ARG 6 21.720 34.334 27.762 45 HD3 ARG 6 HD3 ARG 6 22.457 35.127 26.355 46 HE ARG 6 HE ARG 6 20.286 33.439 25.516 47 HH11 ARG 6 HH11 ARG 6 20.926 36.644 26.800 48 HH12 ARG 6 HH12 ARG 6 19.577 37.354 25.950 49 HH21 ARG 6 HH21 ARG 6 18.356 34.297 24.892 50 HH22 ARG 6 HH22 ARG 6 18.192 36.045 24.804 51 H ARG 7 H ARG 7 20.722 28.925 26.760 52 HA ARG 7 HA ARG 7 21.420 27.610 29.288 53 HB2 ARG 7 HB2 ARG 7 19.291 27.094 27.174 54 HB3 ARG 7 HB3 ARG 7 19.509 26.063 28.594 55 HG2 ARG 7 HG2 ARG 7 19.164 28.000 30.094 56 HG3 ARG 7 HG3 ARG 7 18.887 29.049 28.689 57 HD2 ARG 7 HD2 ARG 7 16.938 27.719 28.028 58 HD3 ARG 7 HD3 ARG 7 17.290 26.540 29.307 59 HE ARG 7 HE ARG 7 16.847 29.254 30.299 60 HH11 ARG 7 HH11 ARG 7 15.145 26.350 29.320 61 HH12 ARG 7 HH12 ARG 7 13.917 26.547 30.552 62 HH21 ARG 7 HH21 ARG 7 15.074 29.563 31.706 63 HH22 ARG 7 HH22 ARG 7 13.693 28.527 31.461 64 H CYS 8 H CYS 8 22.043 26.874 25.914 65 HA CYS 8 HA CYS 8 22.932 24.149 26.321 66 HB2 CYS 8 HB2 CYS 8 22.246 24.967 24.141 67 HB3 CYS 8 HB3 CYS 8 23.479 26.212 24.171 68 H GLU 9 H GLU 9 24.799 27.223 25.863 69 HA GLU 9 HA GLU 9 27.366 26.236 26.444 70 HB2 GLU 9 HB2 GLU 9 26.036 28.940 26.672 71 HB3 GLU 9 HB3 GLU 9 27.688 28.737 27.235 72 HG2 GLU 9 HG2 GLU 9 27.042 27.716 24.473 73 HG3 GLU 9 HG3 GLU 9 27.128 29.461 24.737 74 H LEU 10 H LEU 10 25.041 27.663 28.860 75 HA LEU 10 HA LEU 10 26.900 27.347 31.020 76 HB2 LEU 10 HB2 LEU 10 25.246 28.059 32.440 77 HB3 LEU 10 HB3 LEU 10 24.868 28.814 30.908 78 HG LEU 10 HG LEU 10 23.184 26.797 30.642 79 HD11 LEU 10 HD11 LEU 10 23.489 26.963 33.674 80 HD12 LEU 10 HD12 LEU 10 22.205 26.096 32.811 81 HD13 LEU 10 HD13 LEU 10 23.878 25.545 32.693 82 HD21 LEU 10 HD21 LEU 10 21.444 28.134 31.800 83 HD22 LEU 10 HD22 LEU 10 22.712 29.069 32.618 84 HD23 LEU 10 HD23 LEU 10 22.529 29.176 30.860 85 H SER 11 H SER 11 24.624 25.087 29.595 86 HA SER 11 HA SER 11 24.991 22.983 31.573 87 HB2 SER 11 HB2 SER 11 24.110 22.730 28.668 88 HB3 SER 11 HB3 SER 11 23.951 21.516 29.942 89 HG SER 11 HG SER 11 22.619 23.987 29.627 90 H CYS 12 H CYS 12 26.537 23.679 28.374 91 HA CYS 12 HA CYS 12 28.221 21.389 28.287 92 HB2 CYS 12 HB2 CYS 12 28.822 24.171 27.174 93 HB3 CYS 12 HB3 CYS 12 29.482 22.636 26.615 94 H ARG 13 H ARG 13 28.795 24.642 29.623 95 HA ARG 13 HA ARG 13 31.530 24.279 30.317 96 HB2 ARG 13 HB2 ARG 13 29.320 26.209 31.125 97 HB3 ARG 13 HB3 ARG 13 30.976 26.366 31.699 98 HG2 ARG 13 HG2 ARG 13 31.856 26.662 29.489 99 HG3 ARG 13 HG3 ARG 13 30.365 26.121 28.726 100 HD2 ARG 13 HD2 ARG 13 29.213 28.149 29.645 101 HD3 ARG 13 HD3 ARG 13 30.778 28.729 30.230 102 HE ARG 13 HE ARG 13 30.143 28.139 27.331 103 HH11 ARG 13 HH11 ARG 13 31.914 30.202 29.605 104 HH12 ARG 13 HH12 ARG 13 32.422 31.258 28.309 105 HH21 ARG 13 HH21 ARG 13 30.855 29.489 25.814 106 HH22 ARG 13 HH22 ARG 13 32.104 30.660 26.212 107 H SER 14 H SER 14 28.601 23.374 32.036 108 HA SER 14 HA SER 14 29.863 22.780 34.545 109 HB2 SER 14 HB2 SER 14 27.927 21.677 35.172 110 HB3 SER 14 HB3 SER 14 27.350 22.933 34.076 111 HG SER 14 HG SER 14 27.192 21.315 32.435 112 H LEU 15 H LEU 15 29.835 20.986 31.501 113 HA LEU 15 HA LEU 15 31.015 18.560 32.704 114 HB2 LEU 15 HB2 LEU 15 30.774 19.185 29.765 115 HB3 LEU 15 HB3 LEU 15 30.891 17.612 30.534 116 HG LEU 15 HG LEU 15 28.511 19.491 30.485 117 HD11 LEU 15 HD11 LEU 15 27.449 17.708 29.166 118 HD12 LEU 15 HD12 LEU 15 28.907 18.335 28.385 119 HD13 LEU 15 HD13 LEU 15 28.957 16.769 29.222 120 HD21 LEU 15 HD21 LEU 15 28.753 16.718 31.759 121 HD22 LEU 15 HD22 LEU 15 28.522 18.249 32.644 122 HD23 LEU 15 HD23 LEU 15 27.243 17.648 31.582 123 H GLY 16 H GLY 16 32.166 21.567 31.578 124 HA2 GLY 16 HA2 GLY 16 34.392 22.317 31.514 125 HA3 GLY 16 HA3 GLY 16 34.986 20.661 31.451 126 H LEU 17 H LEU 17 32.461 21.482 29.172 127 HA LEU 17 HA LEU 17 34.455 21.933 26.987 128 HB2 LEU 17 HB2 LEU 17 32.387 20.812 25.621 129 HB3 LEU 17 HB3 LEU 17 33.872 20.015 26.057 130 HG LEU 17 HG LEU 17 31.470 19.893 27.860 131 HD11 LEU 17 HD11 LEU 17 30.762 19.162 25.580 132 HD12 LEU 17 HD12 LEU 17 32.023 17.929 25.604 133 HD13 LEU 17 HD13 LEU 17 30.696 17.883 26.797 134 HD21 LEU 17 HD21 LEU 17 33.670 18.920 28.690 135 HD22 LEU 17 HD22 LEU 17 32.484 17.638 28.410 136 HD23 LEU 17 HD23 LEU 17 33.751 17.962 27.205 137 H LEU 18 H LEU 18 33.176 22.748 24.958 138 HA LEU 18 HA LEU 18 31.674 25.189 25.862 139 HB2 LEU 18 HB2 LEU 18 33.678 24.726 23.646 140 HB3 LEU 18 HB3 LEU 18 32.549 26.080 23.578 141 HG LEU 18 HG LEU 18 34.243 25.636 26.040 142 HD11 LEU 18 HD11 LEU 18 35.038 27.220 23.555 143 HD12 LEU 18 HD12 LEU 18 35.915 27.202 25.105 144 HD13 LEU 18 HD13 LEU 18 35.812 25.726 24.134 145 HD21 LEU 18 HD21 LEU 18 32.391 27.256 26.189 146 HD22 LEU 18 HD22 LEU 18 33.958 28.064 26.300 147 HD23 LEU 18 HD23 LEU 18 33.034 28.131 24.783 148 H GLY 19 H GLY 19 29.954 25.922 24.728 149 HA2 GLY 19 HA2 GLY 19 28.477 23.881 23.117 150 HA3 GLY 19 HA3 GLY 19 27.790 25.297 23.893 151 H LYS 20 H LYS 20 27.805 24.214 21.020 152 HA LYS 20 HA LYS 20 28.108 26.887 19.780 153 HB2 LYS 20 HB2 LYS 20 29.339 26.146 17.885 154 HB3 LYS 20 HB3 LYS 20 30.240 25.767 19.352 155 HG2 LYS 20 HG2 LYS 20 29.286 23.385 19.171 156 HG3 LYS 20 HG3 LYS 20 28.695 23.827 17.564 157 HD2 LYS 20 HD2 LYS 20 31.585 23.963 18.500 158 HD3 LYS 20 HD3 LYS 20 30.885 22.636 17.565 159 HE2 LYS 20 HE2 LYS 20 30.463 24.131 15.660 160 HE3 LYS 20 HE3 LYS 20 31.038 25.525 16.598 161 HZ1 LYS 20 HZ1 LYS 20 32.796 24.681 15.161 162 HZ2 LYS 20 HZ2 LYS 20 33.204 24.478 16.737 163 HZ3 LYS 20 HZ3 LYS 20 32.704 23.181 15.863 164 H CYS 21 H CYS 21 26.756 27.358 18.121 165 HA CYS 21 HA CYS 21 24.360 25.696 17.814 166 HB2 CYS 21 HB2 CYS 21 25.232 28.353 16.621 167 HB3 CYS 21 HB3 CYS 21 23.633 27.636 16.446 168 H ILE 22 H ILE 22 24.537 23.947 16.514 169 HA ILE 22 HA ILE 22 26.075 24.051 13.968 170 HB ILE 22 HB ILE 22 24.767 21.616 15.212 171 HG12 ILE 22 HG12 ILE 22 27.615 22.667 15.540 172 HG13 ILE 22 HG13 ILE 22 26.418 22.437 16.818 173 HG21 ILE 22 HG21 ILE 22 25.366 21.641 12.700 174 HG22 ILE 22 HG22 ILE 22 27.051 21.856 13.193 175 HG23 ILE 22 HG23 ILE 22 26.161 20.387 13.643 176 HD11 ILE 22 HD11 ILE 22 27.814 20.244 15.255 177 HD12 ILE 22 HD12 ILE 22 28.006 20.660 16.962 178 HD13 ILE 22 HD13 ILE 22 26.468 19.973 16.393 179 H GLY 23 H GLY 23 24.347 25.770 13.667 180 HA2 GLY 23 HA2 GLY 23 22.599 26.338 12.100 181 HA3 GLY 23 HA3 GLY 23 21.938 24.723 12.255 182 H GLU 24 H GLU 24 19.985 24.979 13.068 183 HA GLU 24 HA GLU 24 19.257 26.968 15.107 184 HB2 GLU 24 HB2 GLU 24 17.017 26.179 14.798 185 HB3 GLU 24 HB3 GLU 24 17.766 26.592 13.266 186 HG2 GLU 24 HG2 GLU 24 17.481 23.741 14.325 187 HG3 GLU 24 HG3 GLU 24 16.347 24.559 13.256 188 H GLU 25 H GLU 25 20.728 24.013 15.321 189 HA GLU 25 HA GLU 25 19.621 23.350 18.003 190 HB2 GLU 25 HB2 GLU 25 20.149 21.013 17.541 191 HB3 GLU 25 HB3 GLU 25 18.954 21.666 16.418 192 HG2 GLU 25 HG2 GLU 25 20.798 21.983 14.715 193 HG3 GLU 25 HG3 GLU 25 21.899 21.171 15.828 194 H CYS 26 H CYS 26 21.073 22.888 19.651 195 HA CYS 26 HA CYS 26 23.884 23.772 19.137 196 HB2 CYS 26 HB2 CYS 26 22.411 25.232 20.513 197 HB3 CYS 26 HB3 CYS 26 22.264 23.941 21.689 198 H LYS 27 H LYS 27 25.642 22.635 19.948 199 HA LYS 27 HA LYS 27 25.142 20.251 21.669 200 HB2 LYS 27 HB2 LYS 27 25.188 19.562 19.318 201 HB3 LYS 27 HB3 LYS 27 26.760 20.342 19.095 202 HG2 LYS 27 HG2 LYS 27 27.828 18.788 20.633 203 HG3 LYS 27 HG3 LYS 27 26.270 18.059 21.063 204 HD2 LYS 27 HD2 LYS 27 27.451 18.095 18.257 205 HD3 LYS 27 HD3 LYS 27 27.660 16.757 19.411 206 HE2 LYS 27 HE2 LYS 27 25.076 16.699 19.557 207 HE3 LYS 27 HE3 LYS 27 25.083 17.738 18.125 208 HZ1 LYS 27 HZ1 LYS 27 26.104 14.971 18.356 209 HZ2 LYS 27 HZ2 LYS 27 24.906 15.523 17.397 210 HZ3 LYS 27 HZ3 LYS 27 26.478 15.916 17.061 211 H CYS 28 H CYS 28 26.666 19.816 23.160 212 HA CYS 28 HA CYS 28 28.878 21.710 23.583 213 HB2 CYS 28 HB2 CYS 28 28.247 19.209 25.169 214 HB3 CYS 28 HB3 CYS 28 29.192 20.601 25.665 215 H VAL 29 H VAL 29 31.024 21.343 23.096 216 HA VAL 29 HA VAL 29 31.806 18.605 22.185 217 HB VAL 29 HB VAL 29 33.100 19.602 20.368 218 HG11 VAL 29 HG11 VAL 29 30.148 20.321 20.210 219 HG12 VAL 29 HG12 VAL 29 31.247 19.968 18.861 220 HG13 VAL 29 HG13 VAL 29 30.820 18.687 20.010 221 HG21 VAL 29 HG21 VAL 29 33.382 21.923 21.179 222 HG22 VAL 29 HG22 VAL 29 32.663 21.865 19.569 223 HG23 VAL 29 HG23 VAL 29 31.636 22.205 20.979 224 H TYR 30 H TYR 30 33.590 17.759 22.725 225 HA TYR 30 HA TYR 30 35.573 18.883 24.510 226 HB2 TYR 30 HB2 TYR 30 35.237 16.319 22.939 227 HB3 TYR 30 HB3 TYR 30 36.781 16.718 23.657 228 HD1 TYR 30 HD1 TYR 30 37.001 17.158 26.095 229 HD2 TYR 30 HD2 TYR 30 33.447 15.426 24.383 230 HE1 TYR 30 HE1 TYR 30 36.374 16.270 28.324 231 HE2 TYR 30 HE2 TYR 30 32.787 14.582 26.644 232 HH TYR 30 HH TYR 30 34.608 15.506 29.549 Start of MODEL 11 1 H1 ALA 1 H1 ALA 1 12.363 29.132 14.617 2 H2 ALA 1 H2 ALA 1 11.393 28.028 15.361 3 H3 ALA 1 H3 ALA 1 12.790 27.547 14.632 4 HA ALA 1 HA ALA 1 12.619 29.355 16.939 5 HB1 ALA 1 HB1 ALA 1 13.536 27.481 18.282 6 HB2 ALA 1 HB2 ALA 1 11.949 27.082 17.604 7 HB3 ALA 1 HB3 ALA 1 13.424 26.412 16.867 8 H PHE 2 H PHE 2 14.570 29.991 17.863 9 HA PHE 2 HA PHE 2 16.964 29.883 16.093 10 HB2 PHE 2 HB2 PHE 2 16.421 31.438 18.651 11 HB3 PHE 2 HB3 PHE 2 17.868 31.538 17.664 12 HD1 PHE 2 HD1 PHE 2 17.808 32.573 15.385 13 HD2 PHE 2 HD2 PHE 2 14.383 32.615 18.005 14 HE1 PHE 2 HE1 PHE 2 16.762 34.340 13.988 15 HE2 PHE 2 HE2 PHE 2 13.330 34.366 16.600 16 HZ PHE 2 HZ PHE 2 14.503 35.215 14.576 17 H CYS 3 H CYS 3 19.075 29.353 17.121 18 HA CYS 3 HA CYS 3 18.967 27.056 18.937 19 HB2 CYS 3 HB2 CYS 3 21.366 27.027 18.678 20 HB3 CYS 3 HB3 CYS 3 20.590 27.146 17.128 21 H ASN 4 H ASN 4 19.199 27.090 21.108 22 HA ASN 4 HA ASN 4 19.297 29.684 22.545 23 HB2 ASN 4 HB2 ASN 4 18.426 26.860 23.220 24 HB3 ASN 4 HB3 ASN 4 18.838 27.998 24.493 25 HD21 ASN 4 HD21 ASN 4 15.373 28.647 22.538 26 HD22 ASN 4 HD22 ASN 4 16.509 27.485 21.829 27 H LEU 5 H LEU 5 21.516 29.948 21.748 28 HA LEU 5 HA LEU 5 23.629 28.202 22.349 29 HB2 LEU 5 HB2 LEU 5 23.527 29.949 20.596 30 HB3 LEU 5 HB3 LEU 5 23.684 31.202 21.815 31 HG LEU 5 HG LEU 5 25.691 30.656 20.453 32 HD11 LEU 5 HD11 LEU 5 25.920 31.889 22.555 33 HD12 LEU 5 HD12 LEU 5 26.199 30.366 23.429 34 HD13 LEU 5 HD13 LEU 5 27.326 30.884 22.177 35 HD21 LEU 5 HD21 LEU 5 25.996 28.186 22.197 36 HD22 LEU 5 HD22 LEU 5 25.454 28.161 20.502 37 HD23 LEU 5 HD23 LEU 5 27.074 28.751 20.910 38 H ARG 6 H ARG 6 22.652 31.130 24.216 39 HA ARG 6 HA ARG 6 24.697 30.881 26.217 40 HB2 ARG 6 HB2 ARG 6 21.967 32.198 26.382 41 HB3 ARG 6 HB3 ARG 6 23.220 32.297 27.627 42 HG2 ARG 6 HG2 ARG 6 24.817 33.229 25.945 43 HG3 ARG 6 HG3 ARG 6 23.525 33.220 24.734 44 HD2 ARG 6 HD2 ARG 6 22.177 34.720 26.159 45 HD3 ARG 6 HD3 ARG 6 23.485 34.740 27.368 46 HE ARG 6 HE ARG 6 24.630 35.471 24.893 47 HH11 ARG 6 HH11 ARG 6 22.255 36.875 27.103 48 HH12 ARG 6 HH12 ARG 6 22.338 38.429 26.281 49 HH21 ARG 6 HH21 ARG 6 24.908 37.559 24.201 50 HH22 ARG 6 HH22 ARG 6 23.986 38.862 24.912 51 H ARG 7 H ARG 7 21.291 29.670 26.376 52 HA ARG 7 HA ARG 7 21.501 28.222 28.857 53 HB2 ARG 7 HB2 ARG 7 19.881 27.790 26.330 54 HB3 ARG 7 HB3 ARG 7 19.799 26.646 27.660 55 HG2 ARG 7 HG2 ARG 7 18.930 28.313 29.177 56 HG3 ARG 7 HG3 ARG 7 19.138 29.594 27.975 57 HD2 ARG 7 HD2 ARG 7 16.767 28.774 28.201 58 HD3 ARG 7 HD3 ARG 7 17.432 28.708 26.568 59 HE ARG 7 HE ARG 7 17.558 26.212 28.189 60 HH11 ARG 7 HH11 ARG 7 15.642 27.816 25.649 61 HH12 ARG 7 HH12 ARG 7 15.333 26.251 24.921 62 HH21 ARG 7 HH21 ARG 7 16.907 24.398 27.237 63 HH22 ARG 7 HH22 ARG 7 15.920 24.466 25.764 64 H CYS 8 H CYS 8 22.508 27.320 25.601 65 HA CYS 8 HA CYS 8 23.239 24.601 26.223 66 HB2 CYS 8 HB2 CYS 8 22.616 25.315 24.006 67 HB3 CYS 8 HB3 CYS 8 23.907 26.499 23.973 68 H GLU 9 H GLU 9 25.335 27.577 25.756 69 HA GLU 9 HA GLU 9 27.794 26.346 26.420 70 HB2 GLU 9 HB2 GLU 9 26.755 29.178 26.794 71 HB3 GLU 9 HB3 GLU 9 28.355 28.696 27.364 72 HG2 GLU 9 HG2 GLU 9 28.967 27.964 25.073 73 HG3 GLU 9 HG3 GLU 9 27.422 28.586 24.479 74 H LEU 10 H LEU 10 25.413 27.849 28.681 75 HA LEU 10 HA LEU 10 27.067 27.291 30.977 76 HB2 LEU 10 HB2 LEU 10 25.531 28.468 32.167 77 HB3 LEU 10 HB3 LEU 10 25.298 29.105 30.548 78 HG LEU 10 HG LEU 10 23.361 27.272 30.468 79 HD11 LEU 10 HD11 LEU 10 22.239 27.070 32.648 80 HD12 LEU 10 HD12 LEU 10 23.858 26.343 32.739 81 HD13 LEU 10 HD13 LEU 10 23.560 27.949 33.430 82 HD21 LEU 10 HD21 LEU 10 23.043 29.726 30.256 83 HD22 LEU 10 HD22 LEU 10 21.771 28.975 31.247 84 HD23 LEU 10 HD23 LEU 10 23.096 29.859 32.024 85 H SER 11 H SER 11 24.704 25.393 29.242 86 HA SER 11 HA SER 11 24.527 23.255 31.218 87 HB2 SER 11 HB2 SER 11 22.769 23.486 29.574 88 HB3 SER 11 HB3 SER 11 23.917 23.290 28.246 89 HG SER 11 HG SER 11 23.412 21.352 30.268 90 H CYS 12 H CYS 12 26.504 23.797 28.284 91 HA CYS 12 HA CYS 12 27.985 21.369 28.372 92 HB2 CYS 12 HB2 CYS 12 28.705 24.062 27.166 93 HB3 CYS 12 HB3 CYS 12 29.449 22.533 26.731 94 H ARG 13 H ARG 13 28.399 24.368 30.155 95 HA ARG 13 HA ARG 13 31.031 24.064 31.166 96 HB2 ARG 13 HB2 ARG 13 29.560 26.050 31.483 97 HB3 ARG 13 HB3 ARG 13 28.513 25.072 32.519 98 HG2 ARG 13 HG2 ARG 13 30.379 24.818 34.161 99 HG3 ARG 13 HG3 ARG 13 31.406 25.810 33.113 100 HD2 ARG 13 HD2 ARG 13 30.434 27.063 35.017 101 HD3 ARG 13 HD3 ARG 13 30.017 27.730 33.427 102 HE ARG 13 HE ARG 13 28.015 25.861 34.462 103 HH11 ARG 13 HH11 ARG 13 28.941 29.267 34.642 104 HH12 ARG 13 HH12 ARG 13 27.241 29.749 34.577 105 HH21 ARG 13 HH21 ARG 13 25.985 26.588 34.621 106 HH22 ARG 13 HH22 ARG 13 25.683 28.346 34.608 107 H SER 14 H SER 14 28.062 22.353 32.070 108 HA SER 14 HA SER 14 29.216 21.042 34.404 109 HB2 SER 14 HB2 SER 14 27.234 19.762 34.517 110 HB3 SER 14 HB3 SER 14 26.763 21.408 34.074 111 HG SER 14 HG SER 14 26.560 20.692 31.901 112 H LEU 15 H LEU 15 29.832 20.567 31.110 113 HA LEU 15 HA LEU 15 30.906 17.825 31.589 114 HB2 LEU 15 HB2 LEU 15 30.883 19.249 28.946 115 HB3 LEU 15 HB3 LEU 15 31.001 17.523 29.269 116 HG LEU 15 HG LEU 15 28.551 19.308 29.427 117 HD11 LEU 15 HD11 LEU 15 29.292 18.716 27.173 118 HD12 LEU 15 HD12 LEU 15 29.240 16.988 27.592 119 HD13 LEU 15 HD13 LEU 15 27.744 17.947 27.563 120 HD21 LEU 15 HD21 LEU 15 28.755 16.301 29.972 121 HD22 LEU 15 HD22 LEU 15 28.339 17.542 31.172 122 HD23 LEU 15 HD23 LEU 15 27.241 17.219 29.830 123 H GLY 16 H GLY 16 31.825 21.142 31.449 124 HA2 GLY 16 HA2 GLY 16 33.971 22.002 31.940 125 HA3 GLY 16 HA3 GLY 16 34.715 20.487 31.449 126 H LEU 17 H LEU 17 32.365 21.993 29.285 127 HA LEU 17 HA LEU 17 34.476 23.165 27.571 128 HB2 LEU 17 HB2 LEU 17 33.506 21.791 25.635 129 HB3 LEU 17 HB3 LEU 17 34.672 21.051 26.692 130 HG LEU 17 HG LEU 17 31.839 20.578 27.507 131 HD11 LEU 17 HD11 LEU 17 31.285 19.004 25.820 132 HD12 LEU 17 HD12 LEU 17 31.609 20.587 25.071 133 HD13 LEU 17 HD13 LEU 17 32.817 19.288 24.958 134 HD21 LEU 17 HD21 LEU 17 32.722 18.234 27.644 135 HD22 LEU 17 HD22 LEU 17 34.195 18.761 26.820 136 HD23 LEU 17 HD23 LEU 17 33.844 19.354 28.448 137 H LEU 18 H LEU 18 33.499 23.946 25.439 138 HA LEU 18 HA LEU 18 31.285 25.779 26.109 139 HB2 LEU 18 HB2 LEU 18 33.182 25.534 23.743 140 HB3 LEU 18 HB3 LEU 18 31.873 26.706 23.781 141 HG LEU 18 HG LEU 18 34.054 26.574 25.880 142 HD11 LEU 18 HD11 LEU 18 34.991 28.564 24.758 143 HD12 LEU 18 HD12 LEU 18 34.966 27.175 23.663 144 HD13 LEU 18 HD13 LEU 18 33.743 28.456 23.502 145 HD21 LEU 18 HD21 LEU 18 32.051 27.670 26.758 146 HD22 LEU 18 HD22 LEU 18 33.286 28.872 26.415 147 HD23 LEU 18 HD23 LEU 18 31.931 28.677 25.290 148 H GLY 19 H GLY 19 29.827 26.282 24.309 149 HA2 GLY 19 HA2 GLY 19 28.633 23.847 23.051 150 HA3 GLY 19 HA3 GLY 19 27.631 25.052 23.833 151 H LYS 20 H LYS 20 27.977 24.019 20.998 152 HA LYS 20 HA LYS 20 28.568 26.521 19.465 153 HB2 LYS 20 HB2 LYS 20 30.233 24.719 19.180 154 HB3 LYS 20 HB3 LYS 20 28.940 23.583 18.751 155 HG2 LYS 20 HG2 LYS 20 28.428 25.009 16.734 156 HG3 LYS 20 HG3 LYS 20 29.748 26.081 17.203 157 HD2 LYS 20 HD2 LYS 20 30.472 24.601 15.435 158 HD3 LYS 20 HD3 LYS 20 31.361 24.208 16.918 159 HE2 LYS 20 HE2 LYS 20 29.955 22.249 17.309 160 HE3 LYS 20 HE3 LYS 20 28.860 22.716 15.998 161 HZ1 LYS 20 HZ1 LYS 20 30.436 20.981 15.319 162 HZ2 LYS 20 HZ2 LYS 20 30.603 22.346 14.422 163 HZ3 LYS 20 HZ3 LYS 20 31.710 21.995 15.580 164 H CYS 21 H CYS 21 27.003 27.302 18.178 165 HA CYS 21 HA CYS 21 24.334 26.111 18.219 166 HB2 CYS 21 HB2 CYS 21 24.481 28.464 18.378 167 HB3 CYS 21 HB3 CYS 21 25.528 28.580 16.958 168 H ILE 22 H ILE 22 23.394 24.875 16.828 169 HA ILE 22 HA ILE 22 24.414 24.489 14.054 170 HB ILE 22 HB ILE 22 23.193 22.317 15.791 171 HG12 ILE 22 HG12 ILE 22 26.121 22.860 15.142 172 HG13 ILE 22 HG13 ILE 22 25.368 22.850 16.737 173 HG21 ILE 22 HG21 ILE 22 24.645 22.143 13.109 174 HG22 ILE 22 HG22 ILE 22 23.793 20.834 13.956 175 HG23 ILE 22 HG23 ILE 22 22.884 22.169 13.272 176 HD11 ILE 22 HD11 ILE 22 25.824 20.437 14.956 177 HD12 ILE 22 HD12 ILE 22 26.615 20.832 16.483 178 HD13 ILE 22 HD13 ILE 22 24.887 20.414 16.472 179 H GLY 23 H GLY 23 22.923 26.324 13.658 180 HA2 GLY 23 HA2 GLY 23 21.021 27.071 12.630 181 HA3 GLY 23 HA3 GLY 23 20.423 25.412 12.583 182 H GLU 24 H GLU 24 18.904 24.755 14.068 183 HA GLU 24 HA GLU 24 17.851 26.763 15.987 184 HB2 GLU 24 HB2 GLU 24 15.791 25.872 15.752 185 HB3 GLU 24 HB3 GLU 24 16.394 25.707 14.117 186 HG2 GLU 24 HG2 GLU 24 16.266 23.457 16.188 187 HG3 GLU 24 HG3 GLU 24 15.033 23.846 15.021 188 H GLU 25 H GLU 25 20.006 24.294 16.124 189 HA GLU 25 HA GLU 25 19.265 23.589 18.941 190 HB2 GLU 25 HB2 GLU 25 20.577 21.759 16.892 191 HB3 GLU 25 HB3 GLU 25 20.199 21.383 18.584 192 HG2 GLU 25 HG2 GLU 25 17.754 21.902 18.015 193 HG3 GLU 25 HG3 GLU 25 18.240 21.872 16.315 194 H CYS 26 H CYS 26 21.250 22.709 20.152 195 HA CYS 26 HA CYS 26 23.809 23.802 19.160 196 HB2 CYS 26 HB2 CYS 26 22.858 25.617 20.413 197 HB3 CYS 26 HB3 CYS 26 22.504 24.573 21.781 198 H LYS 27 H LYS 27 25.632 22.828 19.950 199 HA LYS 27 HA LYS 27 25.294 20.282 21.513 200 HB2 LYS 27 HB2 LYS 27 25.117 20.043 19.003 201 HB3 LYS 27 HB3 LYS 27 26.778 20.625 18.882 202 HG2 LYS 27 HG2 LYS 27 27.605 18.686 20.099 203 HG3 LYS 27 HG3 LYS 27 25.958 18.128 20.442 204 HD2 LYS 27 HD2 LYS 27 26.973 18.556 17.607 205 HD3 LYS 27 HD3 LYS 27 27.244 17.039 18.450 206 HE2 LYS 27 HE2 LYS 27 24.420 18.142 18.287 207 HE3 LYS 27 HE3 LYS 27 25.133 17.391 16.857 208 HZ1 LYS 27 HZ1 LYS 27 24.959 16.013 19.484 209 HZ2 LYS 27 HZ2 LYS 27 23.901 15.786 18.268 210 HZ3 LYS 27 HZ3 LYS 27 25.479 15.386 18.055 211 H CYS 28 H CYS 28 26.976 19.750 22.872 212 HA CYS 28 HA CYS 28 28.892 21.874 23.404 213 HB2 CYS 28 HB2 CYS 28 28.788 19.207 24.800 214 HB3 CYS 28 HB3 CYS 28 29.487 20.702 25.355 215 H VAL 29 H VAL 29 31.104 21.942 23.078 216 HA VAL 29 HA VAL 29 32.343 19.675 21.592 217 HB VAL 29 HB VAL 29 33.408 21.278 20.065 218 HG11 VAL 29 HG11 VAL 29 31.555 21.418 18.539 219 HG12 VAL 29 HG12 VAL 29 31.427 19.901 19.440 220 HG13 VAL 29 HG13 VAL 29 30.374 21.270 19.864 221 HG21 VAL 29 HG21 VAL 29 32.396 23.466 19.629 222 HG22 VAL 29 HG22 VAL 29 31.315 23.278 21.028 223 HG23 VAL 29 HG23 VAL 29 33.073 23.426 21.257 224 H TYR 30 H TYR 30 34.140 19.060 22.324 225 HA TYR 30 HA TYR 30 35.586 20.024 24.525 226 HB2 TYR 30 HB2 TYR 30 36.421 18.130 22.296 227 HB3 TYR 30 HB3 TYR 30 37.193 18.264 23.864 228 HD1 TYR 30 HD1 TYR 30 36.084 17.466 25.903 229 HD2 TYR 30 HD2 TYR 30 34.275 16.945 22.027 230 HE1 TYR 30 HE1 TYR 30 34.453 15.878 26.885 231 HE2 TYR 30 HE2 TYR 30 32.634 15.351 23.007 232 HH TYR 30 HH TYR 30 32.935 14.232 26.356 Start of MODEL 12 1 H1 ALA 1 H1 ALA 1 11.889 30.735 15.995 2 H2 ALA 1 H2 ALA 1 12.541 31.994 15.144 3 H3 ALA 1 H3 ALA 1 11.250 32.240 16.124 4 HA ALA 1 HA ALA 1 13.323 33.052 17.049 5 HB1 ALA 1 HB1 ALA 1 11.487 32.532 18.540 6 HB2 ALA 1 HB2 ALA 1 11.970 30.818 18.597 7 HB3 ALA 1 HB3 ALA 1 13.024 32.073 19.291 8 H PHE 2 H PHE 2 15.403 32.742 17.641 9 HA PHE 2 HA PHE 2 16.799 30.552 16.307 10 HB2 PHE 2 HB2 PHE 2 17.890 32.873 17.917 11 HB3 PHE 2 HB3 PHE 2 18.808 31.826 16.848 12 HD1 PHE 2 HD1 PHE 2 17.799 31.662 14.336 13 HD2 PHE 2 HD2 PHE 2 17.300 34.975 17.054 14 HE1 PHE 2 HE1 PHE 2 17.319 33.171 12.410 15 HE2 PHE 2 HE2 PHE 2 16.829 36.483 15.134 16 HZ PHE 2 HZ PHE 2 16.823 35.573 12.816 17 H CYS 3 H CYS 3 18.556 29.383 17.279 18 HA CYS 3 HA CYS 3 17.936 27.943 19.610 19 HB2 CYS 3 HB2 CYS 3 20.287 27.115 19.387 20 HB3 CYS 3 HB3 CYS 3 19.287 26.999 17.926 21 H ASN 4 H ASN 4 18.390 28.074 21.691 22 HA ASN 4 HA ASN 4 19.117 30.574 22.873 23 HB2 ASN 4 HB2 ASN 4 18.672 27.917 24.274 24 HB3 ASN 4 HB3 ASN 4 18.396 29.541 24.914 25 HD21 ASN 4 HD21 ASN 4 15.097 29.655 23.546 26 HD22 ASN 4 HD22 ASN 4 16.328 30.508 24.482 27 H LEU 5 H LEU 5 21.398 30.522 21.794 28 HA LEU 5 HA LEU 5 23.340 28.629 22.478 29 HB2 LEU 5 HB2 LEU 5 23.551 30.216 20.632 30 HB3 LEU 5 HB3 LEU 5 23.693 31.557 21.780 31 HG LEU 5 HG LEU 5 25.846 30.680 22.603 32 HD11 LEU 5 HD11 LEU 5 26.974 28.823 21.371 33 HD12 LEU 5 HD12 LEU 5 25.578 28.264 22.289 34 HD13 LEU 5 HD13 LEU 5 25.445 28.487 20.527 35 HD21 LEU 5 HD21 LEU 5 27.171 31.061 20.571 36 HD22 LEU 5 HD22 LEU 5 25.713 30.848 19.570 37 HD23 LEU 5 HD23 LEU 5 25.839 32.220 20.690 38 H ARG 6 H ARG 6 22.443 31.537 24.325 39 HA ARG 6 HA ARG 6 24.626 31.483 26.217 40 HB2 ARG 6 HB2 ARG 6 21.853 32.664 26.473 41 HB3 ARG 6 HB3 ARG 6 23.216 32.940 27.557 42 HG2 ARG 6 HG2 ARG 6 24.574 33.841 25.649 43 HG3 ARG 6 HG3 ARG 6 23.183 33.609 24.574 44 HD2 ARG 6 HD2 ARG 6 23.187 35.881 25.242 45 HD3 ARG 6 HD3 ARG 6 21.831 35.045 26.041 46 HE ARG 6 HE ARG 6 24.264 35.132 27.658 47 HH11 ARG 6 HH11 ARG 6 21.288 36.988 27.060 48 HH12 ARG 6 HH12 ARG 6 21.598 37.912 28.537 49 HH21 ARG 6 HH21 ARG 6 24.357 36.235 29.487 50 HH22 ARG 6 HH22 ARG 6 23.169 37.505 29.813 51 H ARG 7 H ARG 7 21.722 29.581 25.963 52 HA ARG 7 HA ARG 7 22.036 28.415 28.697 53 HB2 ARG 7 HB2 ARG 7 19.842 28.152 26.605 54 HB3 ARG 7 HB3 ARG 7 19.894 27.223 28.111 55 HG2 ARG 7 HG2 ARG 7 19.946 29.303 29.433 56 HG3 ARG 7 HG3 ARG 7 19.904 30.271 27.954 57 HD2 ARG 7 HD2 ARG 7 17.678 29.373 27.402 58 HD3 ARG 7 HD3 ARG 7 17.706 28.372 28.858 59 HE ARG 7 HE ARG 7 17.674 31.376 28.769 60 HH11 ARG 7 HH11 ARG 7 16.960 28.506 30.754 61 HH12 ARG 7 HH12 ARG 7 16.679 29.548 32.138 62 HH21 ARG 7 HH21 ARG 7 17.313 32.477 30.554 63 HH22 ARG 7 HH22 ARG 7 16.789 31.666 32.032 64 H CYS 8 H CYS 8 22.765 27.683 25.382 65 HA CYS 8 HA CYS 8 23.358 24.860 25.804 66 HB2 CYS 8 HB2 CYS 8 22.833 25.771 23.613 67 HB3 CYS 8 HB3 CYS 8 24.221 26.853 23.684 68 H GLU 9 H GLU 9 25.379 27.871 25.729 69 HA GLU 9 HA GLU 9 27.871 26.720 26.404 70 HB2 GLU 9 HB2 GLU 9 26.592 29.401 27.012 71 HB3 GLU 9 HB3 GLU 9 28.241 29.058 27.497 72 HG2 GLU 9 HG2 GLU 9 27.422 28.655 24.598 73 HG3 GLU 9 HG3 GLU 9 27.732 30.271 25.225 74 H LEU 10 H LEU 10 25.369 27.921 28.744 75 HA LEU 10 HA LEU 10 26.897 27.075 31.027 76 HB2 LEU 10 HB2 LEU 10 25.232 27.948 32.308 77 HB3 LEU 10 HB3 LEU 10 25.090 28.856 30.821 78 HG LEU 10 HG LEU 10 23.187 27.143 30.249 79 HD11 LEU 10 HD11 LEU 10 23.445 25.578 32.134 80 HD12 LEU 10 HD12 LEU 10 23.319 26.916 33.290 81 HD13 LEU 10 HD13 LEU 10 21.923 26.441 32.299 82 HD21 LEU 10 HD21 LEU 10 22.851 29.558 30.698 83 HD22 LEU 10 HD22 LEU 10 21.545 28.580 31.386 84 HD23 LEU 10 HD23 LEU 10 22.822 29.221 32.440 85 H SER 11 H SER 11 24.731 25.359 28.959 86 HA SER 11 HA SER 11 24.302 23.023 30.642 87 HB2 SER 11 HB2 SER 11 22.882 23.714 28.660 88 HB3 SER 11 HB3 SER 11 24.202 23.184 27.607 89 HG SER 11 HG SER 11 22.981 21.446 27.755 90 H CYS 12 H CYS 12 26.545 23.710 27.885 91 HA CYS 12 HA CYS 12 27.901 21.198 28.083 92 HB2 CYS 12 HB2 CYS 12 28.689 23.831 26.796 93 HB3 CYS 12 HB3 CYS 12 29.508 22.285 26.521 94 H ARG 13 H ARG 13 28.500 24.295 29.719 95 HA ARG 13 HA ARG 13 30.980 23.671 30.911 96 HB2 ARG 13 HB2 ARG 13 29.534 25.808 30.916 97 HB3 ARG 13 HB3 ARG 13 28.749 25.136 32.349 98 HG2 ARG 13 HG2 ARG 13 30.963 25.007 33.486 99 HG3 ARG 13 HG3 ARG 13 31.762 25.603 32.026 100 HD2 ARG 13 HD2 ARG 13 29.726 27.092 33.711 101 HD3 ARG 13 HD3 ARG 13 31.467 27.400 33.679 102 HE ARG 13 HE ARG 13 31.038 27.856 31.139 103 HH11 ARG 13 HH11 ARG 13 28.763 28.800 33.681 104 HH12 ARG 13 HH12 ARG 13 27.978 29.950 32.629 105 HH21 ARG 13 HH21 ARG 13 30.170 29.580 30.018 106 HH22 ARG 13 HH22 ARG 13 28.798 30.431 30.682 107 H SER 14 H SER 14 27.914 22.100 31.534 108 HA SER 14 HA SER 14 28.493 20.933 34.088 109 HB2 SER 14 HB2 SER 14 26.276 20.874 32.867 110 HB3 SER 14 HB3 SER 14 26.974 19.661 31.778 111 HG SER 14 HG SER 14 26.444 19.537 34.543 112 H LEU 15 H LEU 15 29.540 20.068 30.802 113 HA LEU 15 HA LEU 15 31.137 17.742 31.724 114 HB2 LEU 15 HB2 LEU 15 31.178 19.149 29.037 115 HB3 LEU 15 HB3 LEU 15 31.825 17.560 29.415 116 HG LEU 15 HG LEU 15 28.916 18.392 29.165 117 HD11 LEU 15 HD11 LEU 15 30.089 18.092 27.054 118 HD12 LEU 15 HD12 LEU 15 30.628 16.470 27.553 119 HD13 LEU 15 HD13 LEU 15 28.906 16.800 27.296 120 HD21 LEU 15 HD21 LEU 15 30.069 15.663 29.925 121 HD22 LEU 15 HD22 LEU 15 29.067 16.704 30.965 122 HD23 LEU 15 HD23 LEU 15 28.371 15.979 29.513 123 H GLY 16 H GLY 16 31.481 21.131 30.845 124 HA2 GLY 16 HA2 GLY 16 33.228 22.518 31.820 125 HA3 GLY 16 HA3 GLY 16 34.362 21.179 31.664 126 H LEU 17 H LEU 17 32.432 21.359 28.877 127 HA LEU 17 HA LEU 17 34.553 22.804 27.359 128 HB2 LEU 17 HB2 LEU 17 32.771 21.593 25.525 129 HB3 LEU 17 HB3 LEU 17 34.465 21.246 25.798 130 HG LEU 17 HG LEU 17 32.259 19.979 27.376 131 HD11 LEU 17 HD11 LEU 17 32.250 18.063 25.916 132 HD12 LEU 17 HD12 LEU 17 31.826 19.514 25.011 133 HD13 LEU 17 HD13 LEU 17 33.453 18.827 24.845 134 HD21 LEU 17 HD21 LEU 17 33.931 18.131 27.685 135 HD22 LEU 17 HD22 LEU 17 35.073 19.012 26.646 136 HD23 LEU 17 HD23 LEU 17 34.632 19.663 28.236 137 H LEU 18 H LEU 18 33.620 23.777 25.325 138 HA LEU 18 HA LEU 18 31.605 25.795 26.051 139 HB2 LEU 18 HB2 LEU 18 32.187 26.990 24.125 140 HB3 LEU 18 HB3 LEU 18 33.677 26.377 24.796 141 HG LEU 18 HG LEU 18 33.397 24.445 23.017 142 HD11 LEU 18 HD11 LEU 18 31.681 26.656 21.813 143 HD12 LEU 18 HD12 LEU 18 32.439 25.361 20.869 144 HD13 LEU 18 HD13 LEU 18 31.219 24.961 22.067 145 HD21 LEU 18 HD21 LEU 18 34.135 27.299 22.235 146 HD22 LEU 18 HD22 LEU 18 35.206 26.119 23.030 147 HD23 LEU 18 HD23 LEU 18 34.647 25.820 21.389 148 H GLY 19 H GLY 19 29.794 26.255 24.858 149 HA2 GLY 19 HA2 GLY 19 28.466 23.934 23.492 150 HA3 GLY 19 HA3 GLY 19 27.606 25.230 24.328 151 H LYS 20 H LYS 20 27.736 24.171 21.453 152 HA LYS 20 HA LYS 20 27.941 26.816 20.084 153 HB2 LYS 20 HB2 LYS 20 29.979 25.224 19.784 154 HB3 LYS 20 HB3 LYS 20 28.886 24.212 18.832 155 HG2 LYS 20 HG2 LYS 20 28.430 26.291 17.396 156 HG3 LYS 20 HG3 LYS 20 29.726 27.098 18.288 157 HD2 LYS 20 HD2 LYS 20 29.944 24.605 16.557 158 HD3 LYS 20 HD3 LYS 20 30.527 26.209 16.138 159 HE2 LYS 20 HE2 LYS 20 31.600 24.548 18.471 160 HE3 LYS 20 HE3 LYS 20 32.278 24.538 16.846 161 HZ1 LYS 20 HZ1 LYS 20 32.195 26.923 18.625 162 HZ2 LYS 20 HZ2 LYS 20 33.512 26.033 18.170 163 HZ3 LYS 20 HZ3 LYS 20 32.687 26.935 17.068 164 H CYS 21 H CYS 21 26.336 27.214 18.623 165 HA CYS 21 HA CYS 21 24.132 25.218 18.450 166 HB2 CYS 21 HB2 CYS 21 23.435 27.410 19.063 167 HB3 CYS 21 HB3 CYS 21 24.305 28.142 17.702 168 H ILE 22 H ILE 22 24.036 23.866 16.815 169 HA ILE 22 HA ILE 22 25.595 24.333 14.335 170 HB ILE 22 HB ILE 22 24.029 21.868 15.113 171 HG12 ILE 22 HG12 ILE 22 25.634 22.145 16.888 172 HG13 ILE 22 HG13 ILE 22 26.135 20.844 15.833 173 HG21 ILE 22 HG21 ILE 22 24.561 21.984 12.732 174 HG22 ILE 22 HG22 ILE 22 26.247 22.403 13.087 175 HG23 ILE 22 HG23 ILE 22 25.624 20.798 13.498 176 HD11 ILE 22 HD11 ILE 22 27.334 23.654 15.846 177 HD12 ILE 22 HD12 ILE 22 28.051 22.194 16.544 178 HD13 ILE 22 HD13 ILE 22 27.847 22.315 14.791 179 H GLY 23 H GLY 23 24.163 26.210 14.058 180 HA2 GLY 23 HA2 GLY 23 22.659 27.332 12.713 181 HA3 GLY 23 HA3 GLY 23 22.103 25.786 12.068 182 H GLU 24 H GLU 24 21.074 24.508 14.246 183 HA GLU 24 HA GLU 24 18.936 26.286 15.380 184 HB2 GLU 24 HB2 GLU 24 18.524 23.622 13.951 185 HB3 GLU 24 HB3 GLU 24 17.264 24.578 14.711 186 HG2 GLU 24 HG2 GLU 24 18.860 25.347 12.245 187 HG3 GLU 24 HG3 GLU 24 17.192 24.799 12.298 188 H GLU 25 H GLU 25 21.143 23.726 16.056 189 HA GLU 25 HA GLU 25 19.672 23.003 18.542 190 HB2 GLU 25 HB2 GLU 25 20.891 21.057 16.572 191 HB3 GLU 25 HB3 GLU 25 20.175 20.632 18.123 192 HG2 GLU 25 HG2 GLU 25 18.700 21.784 15.708 193 HG3 GLU 25 HG3 GLU 25 18.692 20.110 16.234 194 H CYS 26 H CYS 26 20.921 22.338 20.290 195 HA CYS 26 HA CYS 26 23.590 23.523 20.355 196 HB2 CYS 26 HB2 CYS 26 22.030 23.919 22.156 197 HB3 CYS 26 HB3 CYS 26 21.795 22.190 22.388 198 H LYS 27 H LYS 27 25.539 22.541 20.344 199 HA LYS 27 HA LYS 27 25.800 19.721 21.250 200 HB2 LYS 27 HB2 LYS 27 25.732 19.838 18.731 201 HB3 LYS 27 HB3 LYS 27 27.147 20.901 18.792 202 HG2 LYS 27 HG2 LYS 27 28.373 19.029 20.011 203 HG3 LYS 27 HG3 LYS 27 26.973 17.987 19.712 204 HD2 LYS 27 HD2 LYS 27 28.546 19.468 17.569 205 HD3 LYS 27 HD3 LYS 27 28.930 17.827 18.084 206 HE2 LYS 27 HE2 LYS 27 26.261 18.670 16.845 207 HE3 LYS 27 HE3 LYS 27 27.622 17.969 15.969 208 HZ1 LYS 27 HZ1 LYS 27 25.869 16.615 17.877 209 HZ2 LYS 27 HZ2 LYS 27 26.389 16.159 16.385 210 HZ3 LYS 27 HZ3 LYS 27 27.426 16.063 17.628 211 H CYS 28 H CYS 28 27.667 19.315 22.414 212 HA CYS 28 HA CYS 28 29.267 21.695 23.215 213 HB2 CYS 28 HB2 CYS 28 29.259 18.965 24.515 214 HB3 CYS 28 HB3 CYS 28 29.853 20.487 25.165 215 H VAL 29 H VAL 29 31.530 21.776 22.944 216 HA VAL 29 HA VAL 29 32.886 19.414 21.746 217 HB VAL 29 HB VAL 29 33.969 20.771 20.006 218 HG11 VAL 29 HG11 VAL 29 32.034 19.308 19.483 219 HG12 VAL 29 HG12 VAL 29 30.946 20.699 19.682 220 HG13 VAL 29 HG13 VAL 29 32.170 20.698 18.397 221 HG21 VAL 29 HG21 VAL 29 31.845 22.869 20.608 222 HG22 VAL 29 HG22 VAL 29 33.598 23.049 20.870 223 HG23 VAL 29 HG23 VAL 29 32.967 22.862 19.230 224 H TYR 30 H TYR 30 34.944 19.146 22.169 225 HA TYR 30 HA TYR 30 36.035 19.957 24.506 226 HB2 TYR 30 HB2 TYR 30 37.696 19.081 22.135 227 HB3 TYR 30 HB3 TYR 30 38.014 18.804 23.844 228 HD1 TYR 30 HD1 TYR 30 36.081 17.468 25.137 229 HD2 TYR 30 HD2 TYR 30 36.781 17.319 20.881 230 HE1 TYR 30 HE1 TYR 30 34.819 15.324 24.998 231 HE2 TYR 30 HE2 TYR 30 35.540 15.172 20.755 232 HH TYR 30 HH TYR 30 34.631 13.443 21.984 Start of MODEL 13 1 H1 ALA 1 H1 ALA 1 14.085 29.942 12.769 2 H2 ALA 1 H2 ALA 1 13.126 28.622 12.972 3 H3 ALA 1 H3 ALA 1 14.768 28.450 12.978 4 HA ALA 1 HA ALA 1 13.331 30.124 14.913 5 HB1 ALA 1 HB1 ALA 1 13.628 28.256 16.563 6 HB2 ALA 1 HB2 ALA 1 12.465 27.893 15.279 7 HB3 ALA 1 HB3 ALA 1 14.100 27.192 15.224 8 H PHE 2 H PHE 2 14.626 30.889 16.588 9 HA PHE 2 HA PHE 2 17.453 31.219 15.987 10 HB2 PHE 2 HB2 PHE 2 15.722 31.997 18.357 11 HB3 PHE 2 HB3 PHE 2 17.434 32.377 18.236 12 HD1 PHE 2 HD1 PHE 2 14.074 33.309 17.115 13 HD2 PHE 2 HD2 PHE 2 18.296 33.876 16.446 14 HE1 PHE 2 HE1 PHE 2 13.595 35.398 15.860 15 HE2 PHE 2 HE2 PHE 2 17.812 35.960 15.203 16 HZ PHE 2 HZ PHE 2 15.465 36.735 14.907 17 H CYS 3 H CYS 3 19.232 30.491 17.095 18 HA CYS 3 HA CYS 3 18.987 27.961 18.564 19 HB2 CYS 3 HB2 CYS 3 20.701 28.225 16.889 20 HB3 CYS 3 HB3 CYS 3 21.352 29.637 17.716 21 H ASN 4 H ASN 4 19.116 27.658 20.705 22 HA ASN 4 HA ASN 4 19.361 29.891 22.610 23 HB2 ASN 4 HB2 ASN 4 18.770 26.907 22.840 24 HB3 ASN 4 HB3 ASN 4 19.004 27.946 24.237 25 HD21 ASN 4 HD21 ASN 4 15.480 28.172 22.272 26 HD22 ASN 4 HD22 ASN 4 16.857 27.376 21.479 27 H LEU 5 H LEU 5 21.697 30.325 21.813 28 HA LEU 5 HA LEU 5 23.754 28.435 22.401 29 HB2 LEU 5 HB2 LEU 5 24.047 30.368 20.884 30 HB3 LEU 5 HB3 LEU 5 23.912 31.472 22.248 31 HG LEU 5 HG LEU 5 25.987 30.570 23.233 32 HD11 LEU 5 HD11 LEU 5 26.113 28.795 20.752 33 HD12 LEU 5 HD12 LEU 5 27.442 29.044 21.906 34 HD13 LEU 5 HD13 LEU 5 25.967 28.243 22.441 35 HD21 LEU 5 HD21 LEU 5 27.559 31.420 21.563 36 HD22 LEU 5 HD22 LEU 5 26.323 31.276 20.292 37 HD23 LEU 5 HD23 LEU 5 26.110 32.433 21.621 38 H ARG 6 H ARG 6 22.386 31.066 24.435 39 HA ARG 6 HA ARG 6 24.214 30.714 26.631 40 HB2 ARG 6 HB2 ARG 6 21.491 31.975 26.409 41 HB3 ARG 6 HB3 ARG 6 22.411 31.957 27.926 42 HG2 ARG 6 HG2 ARG 6 24.285 33.090 26.878 43 HG3 ARG 6 HG3 ARG 6 23.509 33.072 25.294 44 HD2 ARG 6 HD2 ARG 6 22.409 34.478 27.760 45 HD3 ARG 6 HD3 ARG 6 23.403 35.241 26.508 46 HE ARG 6 HE ARG 6 20.799 33.905 25.874 47 HH11 ARG 6 HH11 ARG 6 22.678 36.897 25.694 48 HH12 ARG 6 HH12 ARG 6 21.689 37.503 24.391 49 HH21 ARG 6 HH21 ARG 6 19.609 34.796 24.209 50 HH22 ARG 6 HH22 ARG 6 19.951 36.448 23.732 51 H ARG 7 H ARG 7 20.850 29.428 26.297 52 HA ARG 7 HA ARG 7 21.040 27.857 28.731 53 HB2 ARG 7 HB2 ARG 7 19.159 27.524 26.366 54 HB3 ARG 7 HB3 ARG 7 19.046 26.642 27.890 55 HG2 ARG 7 HG2 ARG 7 18.879 28.881 29.083 56 HG3 ARG 7 HG3 ARG 7 18.675 29.637 27.509 57 HD2 ARG 7 HD2 ARG 7 16.913 27.528 28.779 58 HD3 ARG 7 HD3 ARG 7 16.512 29.228 28.595 59 HE ARG 7 HE ARG 7 16.694 28.705 26.028 60 HH11 ARG 7 HH11 ARG 7 15.365 26.311 28.326 61 HH12 ARG 7 HH12 ARG 7 14.142 25.883 27.139 62 HH21 ARG 7 HH21 ARG 7 15.199 27.875 24.641 63 HH22 ARG 7 HH22 ARG 7 14.339 26.420 25.104 64 H CYS 8 H CYS 8 22.327 27.251 25.579 65 HA CYS 8 HA CYS 8 22.858 24.401 26.072 66 HB2 CYS 8 HB2 CYS 8 22.478 25.247 23.845 67 HB3 CYS 8 HB3 CYS 8 23.782 26.412 24.016 68 H GLU 9 H GLU 9 24.960 27.349 25.844 69 HA GLU 9 HA GLU 9 27.406 26.185 26.489 70 HB2 GLU 9 HB2 GLU 9 26.215 28.941 26.767 71 HB3 GLU 9 HB3 GLU 9 27.782 28.653 27.481 72 HG2 GLU 9 HG2 GLU 9 27.382 27.799 24.609 73 HG3 GLU 9 HG3 GLU 9 27.528 29.519 24.980 74 H LEU 10 H LEU 10 25.005 27.472 28.841 75 HA LEU 10 HA LEU 10 26.630 27.041 31.146 76 HB2 LEU 10 HB2 LEU 10 24.773 27.574 32.400 77 HB3 LEU 10 HB3 LEU 10 24.557 28.415 30.882 78 HG LEU 10 HG LEU 10 23.019 26.365 30.257 79 HD11 LEU 10 HD11 LEU 10 22.940 26.339 33.316 80 HD12 LEU 10 HD12 LEU 10 21.811 25.482 32.247 81 HD13 LEU 10 HD13 LEU 10 23.506 25.005 32.308 82 HD21 LEU 10 HD21 LEU 10 21.090 27.555 31.243 83 HD22 LEU 10 HD22 LEU 10 22.184 28.464 32.309 84 HD23 LEU 10 HD23 LEU 10 22.252 28.706 30.555 85 H SER 11 H SER 11 24.690 24.743 29.322 86 HA SER 11 HA SER 11 24.948 22.584 31.292 87 HB2 SER 11 HB2 SER 11 23.931 21.192 29.771 88 HB3 SER 11 HB3 SER 11 23.153 22.764 29.507 89 HG SER 11 HG SER 11 24.539 22.968 27.649 90 H CYS 12 H CYS 12 26.608 23.428 28.252 91 HA CYS 12 HA CYS 12 28.529 21.344 28.277 92 HB2 CYS 12 HB2 CYS 12 28.996 24.152 27.231 93 HB3 CYS 12 HB3 CYS 12 29.707 22.640 26.652 94 H ARG 13 H ARG 13 28.400 24.375 30.043 95 HA ARG 13 HA ARG 13 31.060 24.386 31.141 96 HB2 ARG 13 HB2 ARG 13 28.938 26.128 31.278 97 HB3 ARG 13 HB3 ARG 13 28.788 25.361 32.841 98 HG2 ARG 13 HG2 ARG 13 30.203 27.020 33.474 99 HG3 ARG 13 HG3 ARG 13 31.446 25.891 32.937 100 HD2 ARG 13 HD2 ARG 13 30.258 28.259 31.442 101 HD3 ARG 13 HD3 ARG 13 31.916 28.092 32.021 102 HE ARG 13 HE ARG 13 32.191 26.230 30.332 103 HH11 ARG 13 HH11 ARG 13 29.911 28.869 29.502 104 HH12 ARG 13 HH12 ARG 13 29.815 28.187 27.875 105 HH21 ARG 13 HH21 ARG 13 31.712 25.518 28.270 106 HH22 ARG 13 HH22 ARG 13 30.761 26.595 27.246 107 H SER 14 H SER 14 28.159 22.598 32.163 108 HA SER 14 HA SER 14 29.236 21.591 34.648 109 HB2 SER 14 HB2 SER 14 26.828 21.536 34.162 110 HB3 SER 14 HB3 SER 14 27.118 20.438 32.795 111 HG SER 14 HG SER 14 26.994 19.910 35.487 112 H LEU 15 H LEU 15 29.436 20.498 31.275 113 HA LEU 15 HA LEU 15 30.927 18.054 31.906 114 HB2 LEU 15 HB2 LEU 15 30.874 19.394 29.220 115 HB3 LEU 15 HB3 LEU 15 31.000 17.684 29.602 116 HG LEU 15 HG LEU 15 28.548 19.452 29.690 117 HD11 LEU 15 HD11 LEU 15 27.740 17.999 27.892 118 HD12 LEU 15 HD12 LEU 15 29.241 18.822 27.458 119 HD13 LEU 15 HD13 LEU 15 29.276 17.102 27.917 120 HD21 LEU 15 HD21 LEU 15 28.360 17.754 31.504 121 HD22 LEU 15 HD22 LEU 15 27.250 17.379 30.184 122 HD23 LEU 15 HD23 LEU 15 28.769 16.470 30.343 123 H GLY 16 H GLY 16 31.733 21.398 31.490 124 HA2 GLY 16 HA2 GLY 16 33.754 22.470 31.864 125 HA3 GLY 16 HA3 GLY 16 34.611 20.930 31.851 126 H LEU 17 H LEU 17 32.450 21.943 29.213 127 HA LEU 17 HA LEU 17 34.715 22.700 27.463 128 HB2 LEU 17 HB2 LEU 17 33.623 21.270 25.640 129 HB3 LEU 17 HB3 LEU 17 34.703 20.510 26.771 130 HG LEU 17 HG LEU 17 31.844 20.391 27.591 131 HD11 LEU 17 HD11 LEU 17 31.092 18.812 25.993 132 HD12 LEU 17 HD12 LEU 17 31.622 20.263 25.124 133 HD13 LEU 17 HD13 LEU 17 32.648 18.814 25.129 134 HD21 LEU 17 HD21 LEU 17 33.704 19.007 28.594 135 HD22 LEU 17 HD22 LEU 17 32.467 17.969 27.854 136 HD23 LEU 17 HD23 LEU 17 33.984 18.267 27.005 137 H LEU 18 H LEU 18 33.831 23.401 25.235 138 HA LEU 18 HA LEU 18 31.932 25.573 25.749 139 HB2 LEU 18 HB2 LEU 18 33.702 24.780 23.424 140 HB3 LEU 18 HB3 LEU 18 32.529 26.082 23.269 141 HG LEU 18 HG LEU 18 34.525 26.093 25.539 142 HD11 LEU 18 HD11 LEU 18 35.840 25.913 23.455 143 HD12 LEU 18 HD12 LEU 18 34.912 27.248 22.739 144 HD13 LEU 18 HD13 LEU 18 35.972 27.544 24.134 145 HD21 LEU 18 HD21 LEU 18 32.621 27.675 25.661 146 HD22 LEU 18 HD22 LEU 18 34.176 28.494 25.484 147 HD23 LEU 18 HD23 LEU 18 33.095 28.347 24.086 148 H GLY 19 H GLY 19 30.136 26.064 24.659 149 HA2 GLY 19 HA2 GLY 19 28.650 23.907 23.205 150 HA3 GLY 19 HA3 GLY 19 27.932 25.312 23.976 151 H LYS 20 H LYS 20 27.816 24.237 21.159 152 HA LYS 20 HA LYS 20 28.509 26.726 19.654 153 HB2 LYS 20 HB2 LYS 20 30.176 24.653 19.556 154 HB3 LYS 20 HB3 LYS 20 28.953 23.945 18.517 155 HG2 LYS 20 HG2 LYS 20 30.181 24.970 16.875 156 HG3 LYS 20 HG3 LYS 20 29.187 26.364 17.301 157 HD2 LYS 20 HD2 LYS 20 31.437 27.160 17.274 158 HD3 LYS 20 HD3 LYS 20 31.024 26.981 18.996 159 HE2 LYS 20 HE2 LYS 20 32.144 24.726 18.982 160 HE3 LYS 20 HE3 LYS 20 32.575 24.973 17.287 161 HZ1 LYS 20 HZ1 LYS 20 33.494 26.704 19.524 162 HZ2 LYS 20 HZ2 LYS 20 34.388 25.516 18.763 163 HZ3 LYS 20 HZ3 LYS 20 33.902 26.872 17.959 164 H CYS 21 H CYS 21 26.856 27.404 18.284 165 HA CYS 21 HA CYS 21 24.411 25.818 18.031 166 HB2 CYS 21 HB2 CYS 21 25.330 28.462 16.900 167 HB3 CYS 21 HB3 CYS 21 23.793 27.720 16.483 168 H ILE 22 H ILE 22 23.853 24.471 16.463 169 HA ILE 22 HA ILE 22 25.404 24.358 13.907 170 HB ILE 22 HB ILE 22 24.444 21.920 15.429 171 HG12 ILE 22 HG12 ILE 22 27.187 23.237 15.352 172 HG13 ILE 22 HG13 ILE 22 26.200 22.868 16.762 173 HG21 ILE 22 HG21 ILE 22 25.767 20.713 13.734 174 HG22 ILE 22 HG22 ILE 22 24.567 21.721 12.939 175 HG23 ILE 22 HG23 ILE 22 26.262 22.245 12.995 176 HD11 ILE 22 HD11 ILE 22 27.674 20.867 15.029 177 HD12 ILE 22 HD12 ILE 22 28.010 21.321 16.706 178 HD13 ILE 22 HD13 ILE 22 26.525 20.428 16.320 179 H GLY 23 H GLY 23 23.722 25.841 13.300 180 HA2 GLY 23 HA2 GLY 23 21.711 26.306 12.180 181 HA3 GLY 23 HA3 GLY 23 21.172 24.638 12.414 182 H GLU 24 H GLU 24 19.118 25.224 13.274 183 HA GLU 24 HA GLU 24 18.728 27.241 15.241 184 HB2 GLU 24 HB2 GLU 24 16.450 26.553 15.232 185 HB3 GLU 24 HB3 GLU 24 17.067 26.671 13.602 186 HG2 GLU 24 HG2 GLU 24 17.079 23.948 14.915 187 HG3 GLU 24 HG3 GLU 24 15.541 24.676 14.472 188 H GLU 25 H GLU 25 20.321 24.528 16.034 189 HA GLU 25 HA GLU 25 19.560 24.731 18.868 190 HB2 GLU 25 HB2 GLU 25 19.625 22.064 17.401 191 HB3 GLU 25 HB3 GLU 25 19.632 22.233 19.145 192 HG2 GLU 25 HG2 GLU 25 17.370 23.084 17.290 193 HG3 GLU 25 HG3 GLU 25 17.425 21.627 18.268 194 H CYS 26 H CYS 26 21.181 24.068 20.324 195 HA CYS 26 HA CYS 26 23.915 24.088 19.144 196 HB2 CYS 26 HB2 CYS 26 23.441 26.029 20.363 197 HB3 CYS 26 HB3 CYS 26 22.683 25.160 21.677 198 H LYS 27 H LYS 27 25.581 22.974 20.097 199 HA LYS 27 HA LYS 27 25.036 20.569 21.770 200 HB2 LYS 27 HB2 LYS 27 24.695 19.891 19.447 201 HB3 LYS 27 HB3 LYS 27 26.204 20.642 18.953 202 HG2 LYS 27 HG2 LYS 27 27.489 19.002 20.243 203 HG3 LYS 27 HG3 LYS 27 25.994 18.225 20.811 204 HD2 LYS 27 HD2 LYS 27 26.639 18.570 17.853 205 HD3 LYS 27 HD3 LYS 27 27.249 17.194 18.768 206 HE2 LYS 27 HE2 LYS 27 25.125 16.300 19.185 207 HE3 LYS 27 HE3 LYS 27 24.289 17.815 18.804 208 HZ1 LYS 27 HZ1 LYS 27 25.809 16.378 16.708 209 HZ2 LYS 27 HZ2 LYS 27 24.251 16.004 17.042 210 HZ3 LYS 27 HZ3 LYS 27 24.646 17.524 16.547 211 H CYS 28 H CYS 28 26.829 19.932 22.991 212 HA CYS 28 HA CYS 28 29.020 21.865 23.225 213 HB2 CYS 28 HB2 CYS 28 28.787 19.315 24.795 214 HB3 CYS 28 HB3 CYS 28 29.581 20.819 25.216 215 H VAL 29 H VAL 29 31.261 21.474 23.055 216 HA VAL 29 HA VAL 29 32.216 18.983 21.736 217 HB VAL 29 HB VAL 29 33.632 20.465 20.225 218 HG11 VAL 29 HG11 VAL 29 30.653 20.256 19.626 219 HG12 VAL 29 HG12 VAL 29 31.949 20.498 18.442 220 HG13 VAL 29 HG13 VAL 29 31.895 18.999 19.368 221 HG21 VAL 29 HG21 VAL 29 31.362 22.472 20.694 222 HG22 VAL 29 HG22 VAL 29 33.065 22.685 21.167 223 HG23 VAL 29 HG23 VAL 29 32.619 22.580 19.459 224 H TYR 30 H TYR 30 34.078 18.310 22.522 225 HA TYR 30 HA TYR 30 35.514 19.550 24.675 226 HB2 TYR 30 HB2 TYR 30 36.154 17.259 22.806 227 HB3 TYR 30 HB3 TYR 30 37.280 17.822 24.015 228 HD1 TYR 30 HD1 TYR 30 34.089 16.044 23.493 229 HD2 TYR 30 HD2 TYR 30 36.946 17.489 26.386 230 HE1 TYR 30 HE1 TYR 30 33.186 14.453 25.180 231 HE2 TYR 30 HE2 TYR 30 36.020 15.918 28.079 232 HH TYR 30 HH TYR 30 33.661 13.406 27.181 Start of MODEL 14 1 H1 ALA 1 H1 ALA 1 14.352 25.857 14.299 2 H2 ALA 1 H2 ALA 1 14.618 26.876 13.037 3 H3 ALA 1 H3 ALA 1 13.090 26.388 13.390 4 HA ALA 1 HA ALA 1 13.542 28.668 14.076 5 HB1 ALA 1 HB1 ALA 1 12.922 26.729 16.347 6 HB2 ALA 1 HB2 ALA 1 12.536 28.464 16.306 7 HB3 ALA 1 HB3 ALA 1 11.748 27.366 15.172 8 H PHE 2 H PHE 2 14.702 30.129 15.379 9 HA PHE 2 HA PHE 2 17.450 29.731 15.558 10 HB2 PHE 2 HB2 PHE 2 15.767 31.670 17.182 11 HB3 PHE 2 HB3 PHE 2 17.500 31.781 16.950 12 HD1 PHE 2 HD1 PHE 2 14.458 33.091 15.844 13 HD2 PHE 2 HD2 PHE 2 18.277 31.751 14.352 14 HE1 PHE 2 HE1 PHE 2 14.207 34.574 13.871 15 HE2 PHE 2 HE2 PHE 2 18.028 33.236 12.379 16 HZ PHE 2 HZ PHE 2 15.994 34.656 12.140 17 H CYS 3 H CYS 3 18.935 29.079 17.003 18 HA CYS 3 HA CYS 3 18.043 27.191 18.932 19 HB2 CYS 3 HB2 CYS 3 20.436 26.672 19.146 20 HB3 CYS 3 HB3 CYS 3 19.907 26.836 17.485 21 H ASN 4 H ASN 4 18.223 26.960 21.075 22 HA ASN 4 HA ASN 4 18.300 29.147 22.905 23 HB2 ASN 4 HB2 ASN 4 18.353 26.121 23.313 24 HB3 ASN 4 HB3 ASN 4 17.949 27.317 24.541 25 HD21 ASN 4 HD21 ASN 4 14.681 27.960 23.270 26 HD22 ASN 4 HD22 ASN 4 16.002 28.562 24.272 27 H LEU 5 H LEU 5 20.671 29.575 21.766 28 HA LEU 5 HA LEU 5 22.887 28.062 22.533 29 HB2 LEU 5 HB2 LEU 5 22.796 29.641 20.681 30 HB3 LEU 5 HB3 LEU 5 22.715 31.003 21.780 31 HG LEU 5 HG LEU 5 24.896 30.614 20.641 32 HD11 LEU 5 HD11 LEU 5 26.299 31.252 22.409 33 HD12 LEU 5 HD12 LEU 5 24.701 31.906 22.791 34 HD13 LEU 5 HD13 LEU 5 25.310 30.463 23.637 35 HD21 LEU 5 HD21 LEU 5 24.973 28.139 20.784 36 HD22 LEU 5 HD22 LEU 5 26.443 28.911 21.395 37 HD23 LEU 5 HD23 LEU 5 25.258 28.260 22.533 38 H ARG 6 H ARG 6 21.785 31.080 24.264 39 HA ARG 6 HA ARG 6 23.909 31.078 26.183 40 HB2 ARG 6 HB2 ARG 6 21.111 32.227 26.203 41 HB3 ARG 6 HB3 ARG 6 22.084 32.195 27.665 42 HG2 ARG 6 HG2 ARG 6 23.982 33.273 26.195 43 HG3 ARG 6 HG3 ARG 6 22.677 33.627 25.055 44 HD2 ARG 6 HD2 ARG 6 23.032 35.531 26.486 45 HD3 ARG 6 HD3 ARG 6 21.466 34.807 26.910 46 HE ARG 6 HE ARG 6 22.784 33.616 28.774 47 HH11 ARG 6 HH11 ARG 6 23.306 37.019 28.065 48 HH12 ARG 6 HH12 ARG 6 24.497 37.142 29.357 49 HH21 ARG 6 HH21 ARG 6 24.177 33.964 30.470 50 HH22 ARG 6 HH22 ARG 6 24.780 35.583 30.748 51 H ARG 7 H ARG 7 20.743 29.441 26.363 52 HA ARG 7 HA ARG 7 21.243 28.254 28.979 53 HB2 ARG 7 HB2 ARG 7 19.210 27.766 26.766 54 HB3 ARG 7 HB3 ARG 7 19.204 26.834 28.251 55 HG2 ARG 7 HG2 ARG 7 18.932 29.877 28.112 56 HG3 ARG 7 HG3 ARG 7 17.599 28.745 28.278 57 HD2 ARG 7 HD2 ARG 7 19.817 29.174 30.309 58 HD3 ARG 7 HD3 ARG 7 18.174 29.772 30.418 59 HE ARG 7 HE ARG 7 19.056 26.942 30.695 60 HH11 ARG 7 HH11 ARG 7 16.294 29.144 30.791 61 HH12 ARG 7 HH12 ARG 7 15.264 27.921 31.473 62 HH21 ARG 7 HH21 ARG 7 17.735 25.500 31.584 63 HH22 ARG 7 HH22 ARG 7 16.045 25.874 31.852 64 H CYS 8 H CYS 8 22.097 27.232 25.736 65 HA CYS 8 HA CYS 8 22.789 24.503 26.521 66 HB2 CYS 8 HB2 CYS 8 22.165 24.989 24.245 67 HB3 CYS 8 HB3 CYS 8 23.392 26.244 24.128 68 H GLU 9 H GLU 9 24.761 27.478 25.830 69 HA GLU 9 HA GLU 9 27.306 26.367 26.270 70 HB2 GLU 9 HB2 GLU 9 26.119 29.126 26.521 71 HB3 GLU 9 HB3 GLU 9 27.741 28.877 27.149 72 HG2 GLU 9 HG2 GLU 9 27.113 27.983 24.335 73 HG3 GLU 9 HG3 GLU 9 27.399 29.682 24.693 74 H LEU 10 H LEU 10 25.080 27.673 28.760 75 HA LEU 10 HA LEU 10 26.940 27.262 30.925 76 HB2 LEU 10 HB2 LEU 10 25.337 28.138 32.296 77 HB3 LEU 10 HB3 LEU 10 24.980 28.843 30.733 78 HG LEU 10 HG LEU 10 23.214 26.902 30.548 79 HD11 LEU 10 HD11 LEU 10 23.556 27.167 33.570 80 HD12 LEU 10 HD12 LEU 10 22.181 26.384 32.762 81 HD13 LEU 10 HD13 LEU 10 23.792 25.687 32.628 82 HD21 LEU 10 HD21 LEU 10 21.544 28.369 31.648 83 HD22 LEU 10 HD22 LEU 10 22.862 29.285 32.402 84 HD23 LEU 10 HD23 LEU 10 22.669 29.300 30.638 85 H SER 11 H SER 11 24.800 25.085 29.294 86 HA SER 11 HA SER 11 24.877 23.007 31.369 87 HB2 SER 11 HB2 SER 11 23.063 23.067 29.673 88 HB3 SER 11 HB3 SER 11 24.245 22.706 28.416 89 HG SER 11 HG SER 11 23.270 20.813 29.098 90 H CYS 12 H CYS 12 26.619 23.567 28.304 91 HA CYS 12 HA CYS 12 28.321 21.299 28.473 92 HB2 CYS 12 HB2 CYS 12 28.884 23.951 27.104 93 HB3 CYS 12 HB3 CYS 12 29.531 22.371 26.666 94 H ARG 13 H ARG 13 28.645 24.535 29.832 95 HA ARG 13 HA ARG 13 31.305 24.611 30.727 96 HB2 ARG 13 HB2 ARG 13 29.446 26.376 30.749 97 HB3 ARG 13 HB3 ARG 13 28.786 25.541 32.151 98 HG2 ARG 13 HG2 ARG 13 31.075 25.981 33.267 99 HG3 ARG 13 HG3 ARG 13 31.429 27.025 31.887 100 HD2 ARG 13 HD2 ARG 13 30.568 28.365 33.725 101 HD3 ARG 13 HD3 ARG 13 29.381 28.363 32.407 102 HE ARG 13 HE ARG 13 28.695 26.235 34.148 103 HH11 ARG 13 HH11 ARG 13 28.696 29.771 34.381 104 HH12 ARG 13 HH12 ARG 13 27.437 29.698 35.611 105 HH21 ARG 13 HH21 ARG 13 27.218 26.325 35.669 106 HH22 ARG 13 HH22 ARG 13 26.654 27.857 36.341 107 H SER 14 H SER 14 28.575 22.763 32.075 108 HA SER 14 HA SER 14 29.925 22.050 34.552 109 HB2 SER 14 HB2 SER 14 28.135 20.569 34.955 110 HB3 SER 14 HB3 SER 14 27.423 21.993 34.191 111 HG SER 14 HG SER 14 27.235 20.847 32.271 112 H LEU 15 H LEU 15 29.857 20.592 31.314 113 HA LEU 15 HA LEU 15 31.160 18.096 32.116 114 HB2 LEU 15 HB2 LEU 15 31.083 19.285 29.346 115 HB3 LEU 15 HB3 LEU 15 31.237 17.598 29.792 116 HG LEU 15 HG LEU 15 28.765 19.361 29.926 117 HD11 LEU 15 HD11 LEU 15 29.431 16.930 28.221 118 HD12 LEU 15 HD12 LEU 15 27.896 17.824 28.225 119 HD13 LEU 15 HD13 LEU 15 29.374 18.627 27.690 120 HD21 LEU 15 HD21 LEU 15 29.057 16.398 30.677 121 HD22 LEU 15 HD22 LEU 15 28.717 17.724 31.811 122 HD23 LEU 15 HD23 LEU 15 27.528 17.303 30.580 123 H GLY 16 H GLY 16 32.162 21.288 31.186 124 HA2 GLY 16 HA2 GLY 16 34.314 22.211 31.519 125 HA3 GLY 16 HA3 GLY 16 35.067 20.619 31.359 126 H LEU 17 H LEU 17 32.622 21.775 29.062 127 HA LEU 17 HA LEU 17 34.653 22.520 27.064 128 HB2 LEU 17 HB2 LEU 17 33.377 21.027 25.388 129 HB3 LEU 17 HB3 LEU 17 34.642 20.346 26.372 130 HG LEU 17 HG LEU 17 31.898 20.122 27.544 131 HD11 LEU 17 HD11 LEU 17 31.358 19.828 25.224 132 HD12 LEU 17 HD12 LEU 17 32.565 18.526 25.066 133 HD13 LEU 17 HD13 LEU 17 31.158 18.329 26.148 134 HD21 LEU 17 HD21 LEU 17 32.713 17.771 27.909 135 HD22 LEU 17 HD22 LEU 17 34.108 18.115 26.874 136 HD23 LEU 17 HD23 LEU 17 33.951 18.929 28.445 137 H LEU 18 H LEU 18 33.571 23.208 24.960 138 HA LEU 18 HA LEU 18 31.657 25.327 25.729 139 HB2 LEU 18 HB2 LEU 18 33.262 24.771 23.216 140 HB3 LEU 18 HB3 LEU 18 32.075 26.064 23.300 141 HG LEU 18 HG LEU 18 34.273 25.878 25.359 142 HD11 LEU 18 HD11 LEU 18 35.370 25.940 23.143 143 HD12 LEU 18 HD12 LEU 18 34.382 27.346 22.689 144 HD13 LEU 18 HD13 LEU 18 35.580 27.475 23.994 145 HD21 LEU 18 HD21 LEU 18 33.919 28.297 25.536 146 HD22 LEU 18 HD22 LEU 18 32.658 28.197 24.273 147 HD23 LEU 18 HD23 LEU 18 32.414 27.412 25.852 148 H GLY 19 H GLY 19 29.803 25.801 24.733 149 HA2 GLY 19 HA2 GLY 19 28.308 23.585 23.361 150 HA3 GLY 19 HA3 GLY 19 27.593 25.013 24.116 151 H LYS 20 H LYS 20 28.080 23.690 21.183 152 HA LYS 20 HA LYS 20 28.386 26.351 19.812 153 HB2 LYS 20 HB2 LYS 20 29.486 23.642 18.968 154 HB3 LYS 20 HB3 LYS 20 29.386 25.056 17.904 155 HG2 LYS 20 HG2 LYS 20 30.770 26.360 19.499 156 HG3 LYS 20 HG3 LYS 20 30.947 24.932 20.526 157 HD2 LYS 20 HD2 LYS 20 32.111 23.732 18.732 158 HD3 LYS 20 HD3 LYS 20 31.853 25.085 17.617 159 HE2 LYS 20 HE2 LYS 20 33.221 26.561 19.010 160 HE3 LYS 20 HE3 LYS 20 33.408 25.298 20.237 161 HZ1 LYS 20 HZ1 LYS 20 34.651 23.989 18.692 162 HZ2 LYS 20 HZ2 LYS 20 34.356 24.992 17.446 163 HZ3 LYS 20 HZ3 LYS 20 35.325 25.495 18.691 164 H CYS 21 H CYS 21 26.724 26.987 18.688 165 HA CYS 21 HA CYS 21 24.460 25.156 18.126 166 HB2 CYS 21 HB2 CYS 21 23.801 27.180 19.124 167 HB3 CYS 21 HB3 CYS 21 24.781 28.148 18.014 168 H ILE 22 H ILE 22 24.572 23.961 16.368 169 HA ILE 22 HA ILE 22 25.323 25.187 13.769 170 HB ILE 22 HB ILE 22 26.542 22.588 14.759 171 HG12 ILE 22 HG12 ILE 22 27.820 25.325 14.355 172 HG13 ILE 22 HG13 ILE 22 27.640 24.455 15.879 173 HG21 ILE 22 HG21 ILE 22 25.995 22.680 12.308 174 HG22 ILE 22 HG22 ILE 22 26.976 24.152 12.172 175 HG23 ILE 22 HG23 ILE 22 27.721 22.595 12.604 176 HD11 ILE 22 HD11 ILE 22 29.467 23.699 13.588 177 HD12 ILE 22 HD12 ILE 22 29.906 24.239 15.214 178 HD13 ILE 22 HD13 ILE 22 29.139 22.653 14.992 179 H GLY 23 H GLY 23 23.703 24.798 12.398 180 HA2 GLY 23 HA2 GLY 23 22.010 23.628 11.284 181 HA3 GLY 23 HA3 GLY 23 22.196 22.248 12.362 182 H GLU 24 H GLU 24 21.756 25.609 13.424 183 HA GLU 24 HA GLU 24 20.292 26.610 14.813 184 HB2 GLU 24 HB2 GLU 24 18.206 25.057 13.233 185 HB3 GLU 24 HB3 GLU 24 17.883 26.390 14.328 186 HG2 GLU 24 HG2 GLU 24 17.832 27.224 12.106 187 HG3 GLU 24 HG3 GLU 24 19.210 27.915 12.938 188 H GLU 25 H GLU 25 21.586 24.324 15.823 189 HA GLU 25 HA GLU 25 19.996 23.927 18.254 190 HB2 GLU 25 HB2 GLU 25 19.195 22.095 16.800 191 HB3 GLU 25 HB3 GLU 25 20.859 21.585 16.514 192 HG2 GLU 25 HG2 GLU 25 21.106 21.091 18.959 193 HG3 GLU 25 HG3 GLU 25 19.430 21.611 19.212 194 H CYS 26 H CYS 26 21.313 23.742 20.003 195 HA CYS 26 HA CYS 26 24.217 23.782 19.539 196 HB2 CYS 26 HB2 CYS 26 23.165 25.653 20.636 197 HB3 CYS 26 HB3 CYS 26 22.525 24.601 21.885 198 H LYS 27 H LYS 27 25.665 22.506 20.245 199 HA LYS 27 HA LYS 27 25.040 20.106 21.905 200 HB2 LYS 27 HB2 LYS 27 24.872 19.679 19.446 201 HB3 LYS 27 HB3 LYS 27 26.537 20.251 19.255 202 HG2 LYS 27 HG2 LYS 27 27.280 18.368 20.756 203 HG3 LYS 27 HG3 LYS 27 25.613 17.765 20.746 204 HD2 LYS 27 HD2 LYS 27 27.399 18.169 18.305 205 HD3 LYS 27 HD3 LYS 27 27.106 16.612 19.099 206 HE2 LYS 27 HE2 LYS 27 24.715 16.714 18.514 207 HE3 LYS 27 HE3 LYS 27 24.930 18.332 17.842 208 HZ1 LYS 27 HZ1 LYS 27 24.965 16.790 16.045 209 HZ2 LYS 27 HZ2 LYS 27 26.471 17.377 16.207 210 HZ3 LYS 27 HZ3 LYS 27 26.123 15.849 16.747 211 H CYS 28 H CYS 28 26.661 19.573 23.342 212 HA CYS 28 HA CYS 28 28.862 21.453 23.674 213 HB2 CYS 28 HB2 CYS 28 28.444 18.913 25.257 214 HB3 CYS 28 HB3 CYS 28 29.307 20.350 25.712 215 H VAL 29 H VAL 29 30.919 21.239 22.992 216 HA VAL 29 HA VAL 29 32.059 18.606 22.235 217 HB VAL 29 HB VAL 29 32.900 19.594 20.081 218 HG11 VAL 29 HG11 VAL 29 30.986 17.986 20.194 219 HG12 VAL 29 HG12 VAL 29 29.862 19.362 20.205 220 HG13 VAL 29 HG13 VAL 29 30.921 19.085 18.810 221 HG21 VAL 29 HG21 VAL 29 30.702 21.682 20.480 222 HG22 VAL 29 HG22 VAL 29 32.448 21.999 20.545 223 HG23 VAL 29 HG23 VAL 29 31.712 21.434 19.040 224 H TYR 30 H TYR 30 34.197 18.422 22.412 225 HA TYR 30 HA TYR 30 35.744 20.021 24.118 226 HB2 TYR 30 HB2 TYR 30 36.543 17.870 22.119 227 HB3 TYR 30 HB3 TYR 30 37.618 18.524 23.347 228 HD1 TYR 30 HD1 TYR 30 34.719 16.321 22.750 229 HD2 TYR 30 HD2 TYR 30 37.327 18.051 25.715 230 HE1 TYR 30 HE1 TYR 30 33.830 14.753 24.439 231 HE2 TYR 30 HE2 TYR 30 36.471 16.437 27.400 232 HH TYR 30 HH TYR 30 33.809 14.144 26.625 Start of MODEL 15 1 H1 ALA 1 H1 ALA 1 12.807 34.643 17.693 2 H2 ALA 1 H2 ALA 1 12.928 33.316 16.747 3 H3 ALA 1 H3 ALA 1 13.895 34.646 16.473 4 HA ALA 1 HA ALA 1 15.060 34.359 18.477 5 HB1 ALA 1 HB1 ALA 1 14.576 32.432 19.957 6 HB2 ALA 1 HB2 ALA 1 13.216 33.571 19.868 7 HB3 ALA 1 HB3 ALA 1 13.155 32.033 18.975 8 H PHE 2 H PHE 2 17.004 33.657 17.989 9 HA PHE 2 HA PHE 2 17.507 31.470 16.092 10 HB2 PHE 2 HB2 PHE 2 19.438 33.017 17.843 11 HB3 PHE 2 HB3 PHE 2 19.828 32.079 16.413 12 HD1 PHE 2 HD1 PHE 2 18.480 32.856 14.193 13 HD2 PHE 2 HD2 PHE 2 19.343 35.352 17.603 14 HE1 PHE 2 HE1 PHE 2 18.306 34.891 12.762 15 HE2 PHE 2 HE2 PHE 2 19.207 37.365 16.163 16 HZ PHE 2 HZ PHE 2 18.689 37.137 13.741 17 H CYS 3 H CYS 3 19.294 29.854 16.801 18 HA CYS 3 HA CYS 3 18.393 28.088 18.766 19 HB2 CYS 3 HB2 CYS 3 20.717 27.110 18.641 20 HB3 CYS 3 HB3 CYS 3 19.849 27.300 17.120 21 H ASN 4 H ASN 4 18.766 27.625 20.834 22 HA ASN 4 HA ASN 4 19.168 29.888 22.567 23 HB2 ASN 4 HB2 ASN 4 18.588 26.976 23.260 24 HB3 ASN 4 HB3 ASN 4 18.341 28.386 24.292 25 HD21 ASN 4 HD21 ASN 4 15.427 29.447 22.272 26 HD22 ASN 4 HD22 ASN 4 16.948 30.201 22.671 27 H LEU 5 H LEU 5 21.507 29.948 21.683 28 HA LEU 5 HA LEU 5 23.487 28.126 22.418 29 HB2 LEU 5 HB2 LEU 5 23.625 29.818 20.645 30 HB3 LEU 5 HB3 LEU 5 23.670 31.107 21.845 31 HG LEU 5 HG LEU 5 25.877 30.374 22.625 32 HD11 LEU 5 HD11 LEU 5 25.628 28.174 20.525 33 HD12 LEU 5 HD12 LEU 5 27.133 28.631 21.351 34 HD13 LEU 5 HD13 LEU 5 25.803 27.963 22.290 35 HD21 LEU 5 HD21 LEU 5 25.724 30.527 19.579 36 HD22 LEU 5 HD22 LEU 5 25.708 31.914 20.685 37 HD23 LEU 5 HD23 LEU 5 27.144 30.885 20.578 38 H ARG 6 H ARG 6 22.227 30.802 24.440 39 HA ARG 6 HA ARG 6 24.405 30.645 26.384 40 HB2 ARG 6 HB2 ARG 6 22.225 32.400 25.894 41 HB3 ARG 6 HB3 ARG 6 21.809 31.624 27.404 42 HG2 ARG 6 HG2 ARG 6 23.017 33.656 27.877 43 HG3 ARG 6 HG3 ARG 6 24.030 32.293 28.344 44 HD2 ARG 6 HD2 ARG 6 25.303 34.075 27.206 45 HD3 ARG 6 HD3 ARG 6 25.381 32.545 26.356 46 HE ARG 6 HE ARG 6 23.468 34.717 25.560 47 HH11 ARG 6 HH11 ARG 6 25.900 32.337 24.539 48 HH12 ARG 6 HH12 ARG 6 25.881 33.012 22.921 49 HH21 ARG 6 HH21 ARG 6 23.434 35.295 23.409 50 HH22 ARG 6 HH22 ARG 6 24.226 34.290 22.231 51 H ARG 7 H ARG 7 21.193 29.215 26.152 52 HA ARG 7 HA ARG 7 21.255 27.791 28.699 53 HB2 ARG 7 HB2 ARG 7 19.610 27.211 26.198 54 HB3 ARG 7 HB3 ARG 7 19.335 26.559 27.816 55 HG2 ARG 7 HG2 ARG 7 18.952 28.906 28.652 56 HG3 ARG 7 HG3 ARG 7 19.080 29.475 26.975 57 HD2 ARG 7 HD2 ARG 7 17.220 27.902 26.355 58 HD3 ARG 7 HD3 ARG 7 17.039 27.497 28.076 59 HE ARG 7 HE ARG 7 16.884 30.282 27.974 60 HH11 ARG 7 HH11 ARG 7 15.003 27.656 26.623 61 HH12 ARG 7 HH12 ARG 7 13.521 28.574 26.697 62 HH21 ARG 7 HH21 ARG 7 15.010 31.497 27.747 63 HH22 ARG 7 HH22 ARG 7 13.613 30.750 27.007 64 H CYS 8 H CYS 8 22.312 27.023 25.445 65 HA CYS 8 HA CYS 8 23.133 24.296 25.989 66 HB2 CYS 8 HB2 CYS 8 22.631 25.192 23.779 67 HB3 CYS 8 HB3 CYS 8 23.910 26.384 23.942 68 H GLU 9 H GLU 9 25.027 27.390 25.758 69 HA GLU 9 HA GLU 9 27.535 26.411 26.488 70 HB2 GLU 9 HB2 GLU 9 26.188 29.102 26.845 71 HB3 GLU 9 HB3 GLU 9 27.826 28.837 27.432 72 HG2 GLU 9 HG2 GLU 9 28.640 28.265 25.232 73 HG3 GLU 9 HG3 GLU 9 27.032 28.318 24.539 74 H LEU 10 H LEU 10 24.907 27.381 28.770 75 HA LEU 10 HA LEU 10 26.565 26.930 31.092 76 HB2 LEU 10 HB2 LEU 10 24.765 27.507 32.371 77 HB3 LEU 10 HB3 LEU 10 24.544 28.384 30.880 78 HG LEU 10 HG LEU 10 22.952 26.392 30.251 79 HD11 LEU 10 HD11 LEU 10 21.731 25.468 32.160 80 HD12 LEU 10 HD12 LEU 10 23.432 25.026 32.314 81 HD13 LEU 10 HD13 LEU 10 22.775 26.342 33.294 82 HD21 LEU 10 HD21 LEU 10 22.281 28.763 30.555 83 HD22 LEU 10 HD22 LEU 10 21.068 27.654 31.218 84 HD23 LEU 10 HD23 LEU 10 22.186 28.504 32.304 85 H SER 11 H SER 11 24.454 24.738 29.253 86 HA SER 11 HA SER 11 24.723 22.509 31.104 87 HB2 SER 11 HB2 SER 11 24.131 22.519 28.117 88 HB3 SER 11 HB3 SER 11 23.992 21.117 29.188 89 HG SER 11 HG SER 11 22.534 22.497 30.469 90 H CYS 12 H CYS 12 26.676 23.609 28.321 91 HA CYS 12 HA CYS 12 28.426 21.292 28.422 92 HB2 CYS 12 HB2 CYS 12 28.966 23.962 27.099 93 HB3 CYS 12 HB3 CYS 12 29.661 22.381 26.699 94 H ARG 13 H ARG 13 28.487 24.516 29.926 95 HA ARG 13 HA ARG 13 31.099 24.547 30.994 96 HB2 ARG 13 HB2 ARG 13 29.376 26.394 30.999 97 HB3 ARG 13 HB3 ARG 13 28.527 25.531 32.286 98 HG2 ARG 13 HG2 ARG 13 30.683 25.728 33.672 99 HG3 ARG 13 HG3 ARG 13 31.311 26.747 32.361 100 HD2 ARG 13 HD2 ARG 13 30.435 28.191 34.064 101 HD3 ARG 13 HD3 ARG 13 29.319 28.260 32.699 102 HE ARG 13 HE ARG 13 27.814 26.719 33.924 103 HH11 ARG 13 HH11 ARG 13 30.258 28.274 36.057 104 HH12 ARG 13 HH12 ARG 13 29.089 28.183 37.370 105 HH21 ARG 13 HH21 ARG 13 26.660 26.557 35.751 106 HH22 ARG 13 HH22 ARG 13 27.267 27.289 37.243 107 H SER 14 H SER 14 28.209 22.847 32.265 108 HA SER 14 HA SER 14 29.415 21.910 34.690 109 HB2 SER 14 HB2 SER 14 27.240 20.651 32.979 110 HB3 SER 14 HB3 SER 14 27.687 20.110 34.604 111 HG SER 14 HG SER 14 27.010 22.041 35.451 112 H LEU 15 H LEU 15 29.587 20.600 31.350 113 HA LEU 15 HA LEU 15 31.026 18.179 32.131 114 HB2 LEU 15 HB2 LEU 15 31.129 19.493 29.411 115 HB3 LEU 15 HB3 LEU 15 31.331 17.798 29.824 116 HG LEU 15 HG LEU 15 28.773 19.406 29.728 117 HD11 LEU 15 HD11 LEU 15 28.167 17.839 27.929 118 HD12 LEU 15 HD12 LEU 15 29.624 18.762 27.561 119 HD13 LEU 15 HD13 LEU 15 29.762 17.064 28.067 120 HD21 LEU 15 HD21 LEU 15 28.571 17.746 31.571 121 HD22 LEU 15 HD22 LEU 15 27.608 17.231 30.187 122 HD23 LEU 15 HD23 LEU 15 29.176 16.466 30.499 123 H GLY 16 H GLY 16 31.908 21.489 31.371 124 HA2 GLY 16 HA2 GLY 16 33.996 22.540 31.751 125 HA3 GLY 16 HA3 GLY 16 34.808 20.982 31.787 126 H LEU 17 H LEU 17 32.522 22.082 29.256 127 HA LEU 17 HA LEU 17 34.709 22.761 27.418 128 HB2 LEU 17 HB2 LEU 17 33.673 21.314 25.613 129 HB3 LEU 17 HB3 LEU 17 34.731 20.556 26.769 130 HG LEU 17 HG LEU 17 31.843 20.415 27.524 131 HD11 LEU 17 HD11 LEU 17 31.682 20.261 25.085 132 HD12 LEU 17 HD12 LEU 17 32.798 18.880 25.092 133 HD13 LEU 17 HD13 LEU 17 31.222 18.757 25.915 134 HD21 LEU 17 HD21 LEU 17 32.494 17.998 27.808 135 HD22 LEU 17 HD22 LEU 17 34.037 18.363 27.035 136 HD23 LEU 17 HD23 LEU 17 33.671 19.066 28.625 137 H LEU 18 H LEU 18 33.797 23.520 25.254 138 HA LEU 18 HA LEU 18 31.842 25.611 25.862 139 HB2 LEU 18 HB2 LEU 18 33.535 24.877 23.457 140 HB3 LEU 18 HB3 LEU 18 32.303 26.127 23.337 141 HG LEU 18 HG LEU 18 34.443 26.235 25.483 142 HD11 LEU 18 HD11 LEU 18 35.571 26.149 23.302 143 HD12 LEU 18 HD12 LEU 18 34.521 27.445 22.687 144 HD13 LEU 18 HD13 LEU 18 35.677 27.780 23.993 145 HD21 LEU 18 HD21 LEU 18 33.939 28.649 25.446 146 HD22 LEU 18 HD22 LEU 18 32.712 28.391 24.191 147 HD23 LEU 18 HD23 LEU 18 32.486 27.720 25.823 148 H GLY 19 H GLY 19 30.092 26.118 24.502 149 HA2 GLY 19 HA2 GLY 19 28.653 23.793 23.275 150 HA3 GLY 19 HA3 GLY 19 27.815 25.087 24.120 151 H LYS 20 H LYS 20 28.021 24.046 21.179 152 HA LYS 20 HA LYS 20 28.206 26.706 19.843 153 HB2 LYS 20 HB2 LYS 20 29.665 24.202 18.915 154 HB3 LYS 20 HB3 LYS 20 29.478 25.660 17.948 155 HG2 LYS 20 HG2 LYS 20 30.963 25.534 20.609 156 HG3 LYS 20 HG3 LYS 20 31.706 25.430 19.022 157 HD2 LYS 20 HD2 LYS 20 31.022 27.706 18.452 158 HD3 LYS 20 HD3 LYS 20 30.117 27.844 19.976 159 HE2 LYS 20 HE2 LYS 20 32.284 27.413 21.213 160 HE3 LYS 20 HE3 LYS 20 33.138 27.528 19.674 161 HZ1 LYS 20 HZ1 LYS 20 31.397 29.666 20.795 162 HZ2 LYS 20 HZ2 LYS 20 33.003 29.660 20.990 163 HZ3 LYS 20 HZ3 LYS 20 32.463 29.817 19.479 164 H CYS 21 H CYS 21 26.982 26.963 18.040 165 HA CYS 21 HA CYS 21 24.627 25.146 17.900 166 HB2 CYS 21 HB2 CYS 21 24.092 27.394 18.465 167 HB3 CYS 21 HB3 CYS 21 25.014 28.029 17.099 168 H ILE 22 H ILE 22 24.145 23.926 16.205 169 HA ILE 22 HA ILE 22 25.207 24.509 13.526 170 HB ILE 22 HB ILE 22 26.928 23.276 14.659 171 HG12 ILE 22 HG12 ILE 22 25.644 21.416 12.633 172 HG13 ILE 22 HG13 ILE 22 26.377 22.970 12.200 173 HG21 ILE 22 HG21 ILE 22 25.206 20.816 14.918 174 HG22 ILE 22 HG22 ILE 22 26.809 21.129 15.594 175 HG23 ILE 22 HG23 ILE 22 25.408 21.956 16.269 176 HD11 ILE 22 HD11 ILE 22 27.813 20.704 13.631 177 HD12 ILE 22 HD12 ILE 22 28.030 21.177 11.937 178 HD13 ILE 22 HD13 ILE 22 28.508 22.290 13.241 179 H GLY 23 H GLY 23 23.367 24.733 12.474 180 HA2 GLY 23 HA2 GLY 23 21.494 24.114 11.312 181 HA3 GLY 23 HA3 GLY 23 21.580 22.497 11.995 182 H GLU 24 H GLU 24 21.067 25.777 13.347 183 HA GLU 24 HA GLU 24 19.523 26.688 14.710 184 HB2 GLU 24 HB2 GLU 24 17.472 24.682 13.761 185 HB3 GLU 24 HB3 GLU 24 17.226 26.320 14.340 186 HG2 GLU 24 HG2 GLU 24 18.384 25.429 11.693 187 HG3 GLU 24 HG3 GLU 24 16.896 26.323 11.977 188 H GLU 25 H GLU 25 20.934 24.084 15.708 189 HA GLU 25 HA GLU 25 19.772 24.368 18.364 190 HB2 GLU 25 HB2 GLU 25 18.488 22.467 17.434 191 HB3 GLU 25 HB3 GLU 25 19.989 21.633 17.056 192 HG2 GLU 25 HG2 GLU 25 18.896 20.697 19.024 193 HG3 GLU 25 HG3 GLU 25 20.480 21.329 19.427 194 H CYS 26 H CYS 26 21.195 23.619 20.047 195 HA CYS 26 HA CYS 26 24.055 23.699 19.194 196 HB2 CYS 26 HB2 CYS 26 23.285 25.778 20.094 197 HB3 CYS 26 HB3 CYS 26 22.628 24.996 21.522 198 H LYS 27 H LYS 27 25.550 22.541 20.055 199 HA LYS 27 HA LYS 27 24.945 20.427 22.081 200 HB2 LYS 27 HB2 LYS 27 25.982 18.755 20.779 201 HB3 LYS 27 HB3 LYS 27 24.887 19.582 19.669 202 HG2 LYS 27 HG2 LYS 27 26.970 21.015 19.005 203 HG3 LYS 27 HG3 LYS 27 27.921 19.802 19.881 204 HD2 LYS 27 HD2 LYS 27 26.069 19.253 17.511 205 HD3 LYS 27 HD3 LYS 27 27.830 19.418 17.425 206 HE2 LYS 27 HE2 LYS 27 28.097 17.479 18.949 207 HE3 LYS 27 HE3 LYS 27 26.340 17.294 19.031 208 HZ1 LYS 27 HZ1 LYS 27 27.385 15.815 17.415 209 HZ2 LYS 27 HZ2 LYS 27 26.322 16.844 16.651 210 HZ3 LYS 27 HZ3 LYS 27 27.918 17.108 16.522 211 H CYS 28 H CYS 28 27.046 19.453 22.946 212 HA CYS 28 HA CYS 28 28.931 21.666 23.496 213 HB2 CYS 28 HB2 CYS 28 28.792 18.995 24.849 214 HB3 CYS 28 HB3 CYS 28 29.601 20.454 25.396 215 H VAL 29 H VAL 29 31.125 21.602 23.174 216 HA VAL 29 HA VAL 29 32.309 19.281 21.763 217 HB VAL 29 HB VAL 29 33.399 20.837 20.151 218 HG11 VAL 29 HG11 VAL 29 30.396 20.540 19.819 219 HG12 VAL 29 HG12 VAL 29 31.597 20.748 18.529 220 HG13 VAL 29 HG13 VAL 29 31.600 19.270 19.506 221 HG21 VAL 29 HG21 VAL 29 32.835 23.027 21.169 222 HG22 VAL 29 HG22 VAL 29 32.278 22.907 19.497 223 HG23 VAL 29 HG23 VAL 29 31.116 22.739 20.829 224 H TYR 30 H TYR 30 34.148 18.758 22.518 225 HA TYR 30 HA TYR 30 35.773 20.140 24.416 226 HB2 TYR 30 HB2 TYR 30 36.331 17.855 22.499 227 HB3 TYR 30 HB3 TYR 30 37.473 18.420 23.700 228 HD1 TYR 30 HD1 TYR 30 37.214 17.988 26.052 229 HD2 TYR 30 HD2 TYR 30 34.209 16.682 23.251 230 HE1 TYR 30 HE1 TYR 30 36.239 16.511 27.788 231 HE2 TYR 30 HE2 TYR 30 33.264 15.160 24.972 232 HH TYR 30 HH TYR 30 34.677 14.871 28.252 Start of MODEL 16 1 H1 ALA 1 H1 ALA 1 11.555 24.565 16.476 2 H2 ALA 1 H2 ALA 1 13.010 23.990 17.013 3 H3 ALA 1 H3 ALA 1 12.906 24.725 15.539 4 HA ALA 1 HA ALA 1 12.334 26.804 16.527 5 HB1 ALA 1 HB1 ALA 1 12.518 27.072 18.984 6 HB2 ALA 1 HB2 ALA 1 11.201 25.973 18.535 7 HB3 ALA 1 HB3 ALA 1 12.734 25.317 19.158 8 H PHE 2 H PHE 2 14.003 28.312 16.790 9 HA PHE 2 HA PHE 2 16.635 27.417 16.119 10 HB2 PHE 2 HB2 PHE 2 15.754 30.072 17.299 11 HB3 PHE 2 HB3 PHE 2 17.319 29.752 16.563 12 HD1 PHE 2 HD1 PHE 2 17.100 28.617 14.070 13 HD2 PHE 2 HD2 PHE 2 14.293 31.283 15.935 14 HE1 PHE 2 HE1 PHE 2 16.206 29.232 11.838 15 HE2 PHE 2 HE2 PHE 2 13.415 31.934 13.701 16 HZ PHE 2 HZ PHE 2 14.353 30.881 11.647 17 H CYS 3 H CYS 3 18.581 27.495 17.266 18 HA CYS 3 HA CYS 3 18.441 26.513 20.020 19 HB2 CYS 3 HB2 CYS 3 19.908 25.473 18.479 20 HB3 CYS 3 HB3 CYS 3 20.624 26.998 17.984 21 H ASN 4 H ASN 4 19.462 27.498 21.825 22 HA ASN 4 HA ASN 4 19.859 30.471 21.665 23 HB2 ASN 4 HB2 ASN 4 18.492 28.820 23.813 24 HB3 ASN 4 HB3 ASN 4 19.005 30.499 24.025 25 HD21 ASN 4 HD21 ASN 4 15.666 29.729 21.839 26 HD22 ASN 4 HD22 ASN 4 16.578 28.444 22.622 27 H LEU 5 H LEU 5 21.934 30.780 21.631 28 HA LEU 5 HA LEU 5 23.873 28.888 22.251 29 HB2 LEU 5 HB2 LEU 5 24.111 30.806 20.708 30 HB3 LEU 5 HB3 LEU 5 24.124 31.915 22.079 31 HG LEU 5 HG LEU 5 26.253 30.902 22.882 32 HD11 LEU 5 HD11 LEU 5 26.087 28.629 21.963 33 HD12 LEU 5 HD12 LEU 5 26.087 29.281 20.301 34 HD13 LEU 5 HD13 LEU 5 27.528 29.424 21.336 35 HD21 LEU 5 HD21 LEU 5 26.298 31.789 19.966 36 HD22 LEU 5 HD22 LEU 5 26.272 32.862 21.386 37 HD23 LEU 5 HD23 LEU 5 27.670 31.812 21.105 38 H ARG 6 H ARG 6 22.684 31.471 24.426 39 HA ARG 6 HA ARG 6 24.758 31.122 26.417 40 HB2 ARG 6 HB2 ARG 6 22.001 32.365 26.674 41 HB3 ARG 6 HB3 ARG 6 23.298 32.431 27.878 42 HG2 ARG 6 HG2 ARG 6 24.814 33.385 26.065 43 HG3 ARG 6 HG3 ARG 6 23.387 33.593 25.052 44 HD2 ARG 6 HD2 ARG 6 23.734 34.772 27.832 45 HD3 ARG 6 HD3 ARG 6 24.103 35.626 26.325 46 HE ARG 6 HE ARG 6 21.391 34.588 26.361 47 HH11 ARG 6 HH11 ARG 6 23.312 37.297 27.618 48 HH12 ARG 6 HH12 ARG 6 21.950 38.395 27.441 49 HH21 ARG 6 HH21 ARG 6 19.688 36.079 26.507 50 HH22 ARG 6 HH22 ARG 6 20.049 37.737 26.947 51 H ARG 7 H ARG 7 21.653 29.582 25.935 52 HA ARG 7 HA ARG 7 21.637 28.059 28.455 53 HB2 ARG 7 HB2 ARG 7 19.920 28.019 25.933 54 HB3 ARG 7 HB3 ARG 7 19.677 26.932 27.300 55 HG2 ARG 7 HG2 ARG 7 19.400 28.857 28.834 56 HG3 ARG 7 HG3 ARG 7 19.648 29.976 27.483 57 HD2 ARG 7 HD2 ARG 7 17.614 29.125 26.376 58 HD3 ARG 7 HD3 ARG 7 17.363 27.988 27.719 59 HE ARG 7 HE ARG 7 17.642 30.673 28.731 60 HH11 ARG 7 HH11 ARG 7 15.188 28.806 27.013 61 HH12 ARG 7 HH12 ARG 7 13.911 29.734 27.773 62 HH21 ARG 7 HH21 ARG 7 15.943 31.910 29.353 63 HH22 ARG 7 HH22 ARG 7 14.321 31.368 29.012 64 H CYS 8 H CYS 8 22.610 27.481 25.129 65 HA CYS 8 HA CYS 8 23.301 24.699 25.441 66 HB2 CYS 8 HB2 CYS 8 22.945 25.799 23.280 67 HB3 CYS 8 HB3 CYS 8 24.320 26.855 23.556 68 H GLU 9 H GLU 9 25.360 27.671 25.583 69 HA GLU 9 HA GLU 9 27.777 26.516 26.444 70 HB2 GLU 9 HB2 GLU 9 26.469 29.209 26.899 71 HB3 GLU 9 HB3 GLU 9 28.070 28.874 27.508 72 HG2 GLU 9 HG2 GLU 9 27.528 28.325 24.585 73 HG3 GLU 9 HG3 GLU 9 27.652 29.992 25.140 74 H LEU 10 H LEU 10 25.137 27.785 28.593 75 HA LEU 10 HA LEU 10 26.609 27.158 30.986 76 HB2 LEU 10 HB2 LEU 10 24.827 27.949 32.186 77 HB3 LEU 10 HB3 LEU 10 24.754 28.818 30.667 78 HG LEU 10 HG LEU 10 22.978 26.996 30.004 79 HD11 LEU 10 HD11 LEU 10 21.596 26.265 31.931 80 HD12 LEU 10 HD12 LEU 10 23.196 25.541 32.008 81 HD13 LEU 10 HD13 LEU 10 22.816 26.919 33.049 82 HD21 LEU 10 HD21 LEU 10 21.193 28.415 30.955 83 HD22 LEU 10 HD22 LEU 10 22.366 29.157 32.066 84 HD23 LEU 10 HD23 LEU 10 22.509 29.414 30.319 85 H SER 11 H SER 11 24.584 25.205 28.971 86 HA SER 11 HA SER 11 24.360 22.962 30.835 87 HB2 SER 11 HB2 SER 11 23.925 23.053 27.827 88 HB3 SER 11 HB3 SER 11 23.497 21.720 28.915 89 HG SER 11 HG SER 11 22.376 24.294 28.679 90 H CYS 12 H CYS 12 26.531 23.715 28.047 91 HA CYS 12 HA CYS 12 28.057 21.287 28.244 92 HB2 CYS 12 HB2 CYS 12 28.884 23.964 27.089 93 HB3 CYS 12 HB3 CYS 12 29.639 22.404 26.750 94 H ARG 13 H ARG 13 28.290 24.380 29.920 95 HA ARG 13 HA ARG 13 30.734 24.261 31.237 96 HB2 ARG 13 HB2 ARG 13 28.396 25.767 31.460 97 HB3 ARG 13 HB3 ARG 13 28.381 24.896 32.974 98 HG2 ARG 13 HG2 ARG 13 29.601 26.690 33.654 99 HG3 ARG 13 HG3 ARG 13 30.962 25.742 33.042 100 HD2 ARG 13 HD2 ARG 13 29.397 27.921 31.592 101 HD3 ARG 13 HD3 ARG 13 31.039 28.079 32.210 102 HE ARG 13 HE ARG 13 31.452 26.053 30.518 103 HH11 ARG 13 HH11 ARG 13 29.729 29.082 29.933 104 HH12 ARG 13 HH12 ARG 13 30.094 29.041 28.242 105 HH21 ARG 13 HH21 ARG 13 31.377 25.843 28.276 106 HH22 ARG 13 HH22 ARG 13 30.797 27.216 27.329 107 H SER 14 H SER 14 27.942 22.264 31.895 108 HA SER 14 HA SER 14 28.907 21.151 34.407 109 HB2 SER 14 HB2 SER 14 26.556 21.239 33.851 110 HB3 SER 14 HB3 SER 14 26.814 20.237 32.414 111 HG SER 14 HG SER 14 26.572 18.588 33.569 112 H LEU 15 H LEU 15 29.349 20.237 30.987 113 HA LEU 15 HA LEU 15 30.599 17.659 31.584 114 HB2 LEU 15 HB2 LEU 15 30.950 19.240 29.040 115 HB3 LEU 15 HB3 LEU 15 31.033 17.498 29.270 116 HG LEU 15 HG LEU 15 28.587 19.279 29.225 117 HD11 LEU 15 HD11 LEU 15 29.499 17.050 27.373 118 HD12 LEU 15 HD12 LEU 15 28.010 18.006 27.215 119 HD13 LEU 15 HD13 LEU 15 29.580 18.799 27.053 120 HD21 LEU 15 HD21 LEU 15 27.235 17.193 29.412 121 HD22 LEU 15 HD22 LEU 15 28.722 16.240 29.623 122 HD23 LEU 15 HD23 LEU 15 28.217 17.408 30.861 123 H GLY 16 H GLY 16 31.644 20.980 31.218 124 HA2 GLY 16 HA2 GLY 16 33.731 21.823 32.064 125 HA3 GLY 16 HA3 GLY 16 34.509 20.279 31.713 126 H LEU 17 H LEU 17 32.367 22.036 29.405 127 HA LEU 17 HA LEU 17 34.640 23.014 27.826 128 HB2 LEU 17 HB2 LEU 17 33.767 21.691 25.806 129 HB3 LEU 17 HB3 LEU 17 34.842 20.919 26.935 130 HG LEU 17 HG LEU 17 31.948 20.500 27.532 131 HD11 LEU 17 HD11 LEU 17 33.145 19.205 25.064 132 HD12 LEU 17 HD12 LEU 17 31.528 18.947 25.764 133 HD13 LEU 17 HD13 LEU 17 31.959 20.526 25.062 134 HD21 LEU 17 HD21 LEU 17 34.316 18.645 27.034 135 HD22 LEU 17 HD22 LEU 17 33.803 19.195 28.639 136 HD23 LEU 17 HD23 LEU 17 32.759 18.121 27.684 137 H LEU 18 H LEU 18 33.847 23.812 25.578 138 HA LEU 18 HA LEU 18 31.798 25.815 26.118 139 HB2 LEU 18 HB2 LEU 18 32.595 27.025 24.341 140 HB3 LEU 18 HB3 LEU 18 34.003 26.315 25.093 141 HG LEU 18 HG LEU 18 33.650 24.459 23.168 142 HD11 LEU 18 HD11 LEU 18 32.447 26.998 21.967 143 HD12 LEU 18 HD12 LEU 18 32.994 25.591 21.038 144 HD13 LEU 18 HD13 LEU 18 31.630 25.431 22.141 145 HD21 LEU 18 HD21 LEU 18 34.874 27.203 22.690 146 HD22 LEU 18 HD22 LEU 18 35.666 25.832 23.495 147 HD23 LEU 18 HD23 LEU 18 35.246 25.720 21.780 148 H GLY 19 H GLY 19 30.041 26.324 24.840 149 HA2 GLY 19 HA2 GLY 19 28.800 24.043 23.331 150 HA3 GLY 19 HA3 GLY 19 27.897 25.224 24.265 151 H LYS 20 H LYS 20 27.759 24.416 21.415 152 HA LYS 20 HA LYS 20 27.637 27.137 20.251 153 HB2 LYS 20 HB2 LYS 20 28.681 26.384 18.155 154 HB3 LYS 20 HB3 LYS 20 29.787 26.440 19.525 155 HG2 LYS 20 HG2 LYS 20 29.640 23.981 19.780 156 HG3 LYS 20 HG3 LYS 20 28.526 23.881 18.408 157 HD2 LYS 20 HD2 LYS 20 31.326 25.067 18.255 158 HD3 LYS 20 HD3 LYS 20 30.987 23.360 17.940 159 HE2 LYS 20 HE2 LYS 20 29.644 23.836 16.025 160 HE3 LYS 20 HE3 LYS 20 29.536 25.556 16.423 161 HZ1 LYS 20 HZ1 LYS 20 31.841 25.822 15.942 162 HZ2 LYS 20 HZ2 LYS 20 32.070 24.212 15.685 163 HZ3 LYS 20 HZ3 LYS 20 31.139 25.078 14.650 164 H CYS 21 H CYS 21 26.083 27.454 18.703 165 HA CYS 21 HA CYS 21 23.993 25.368 18.424 166 HB2 CYS 21 HB2 CYS 21 24.127 28.331 17.762 167 HB3 CYS 21 HB3 CYS 21 22.774 27.298 17.348 168 H ILE 22 H ILE 22 23.800 24.181 16.594 169 HA ILE 22 HA ILE 22 24.486 25.266 13.943 170 HB ILE 22 HB ILE 22 26.559 24.309 14.691 171 HG12 ILE 22 HG12 ILE 22 25.192 22.409 12.728 172 HG13 ILE 22 HG13 ILE 22 25.931 23.972 12.345 173 HG21 ILE 22 HG21 ILE 22 25.597 22.728 16.469 174 HG22 ILE 22 HG22 ILE 22 25.261 21.599 15.140 175 HG23 ILE 22 HG23 ILE 22 26.920 22.099 15.517 176 HD11 ILE 22 HD11 ILE 22 27.330 21.489 13.383 177 HD12 ILE 22 HD12 ILE 22 27.517 22.236 11.795 178 HD13 ILE 22 HD13 ILE 22 28.114 23.081 13.252 179 H GLY 23 H GLY 23 22.982 24.616 12.414 180 HA2 GLY 23 HA2 GLY 23 21.222 23.493 11.442 181 HA3 GLY 23 HA3 GLY 23 21.785 22.045 12.292 182 H GLU 24 H GLU 24 20.489 25.063 13.707 183 HA GLU 24 HA GLU 24 18.987 25.435 15.325 184 HB2 GLU 24 HB2 GLU 24 17.255 23.447 13.817 185 HB3 GLU 24 HB3 GLU 24 16.719 24.562 15.068 186 HG2 GLU 24 HG2 GLU 24 16.154 25.684 13.142 187 HG3 GLU 24 HG3 GLU 24 17.641 26.470 13.662 188 H GLU 25 H GLU 25 21.011 23.394 15.959 189 HA GLU 25 HA GLU 25 19.726 22.544 18.469 190 HB2 GLU 25 HB2 GLU 25 19.433 20.683 16.844 191 HB3 GLU 25 HB3 GLU 25 21.168 20.607 16.618 192 HG2 GLU 25 HG2 GLU 25 20.371 18.840 18.119 193 HG3 GLU 25 HG3 GLU 25 21.472 19.918 18.970 194 H CYS 26 H CYS 26 21.120 22.127 20.198 195 HA CYS 26 HA CYS 26 23.679 23.541 20.175 196 HB2 CYS 26 HB2 CYS 26 22.173 23.776 22.053 197 HB3 CYS 26 HB3 CYS 26 22.084 22.025 22.252 198 H LYS 27 H LYS 27 25.695 22.716 20.202 199 HA LYS 27 HA LYS 27 26.171 19.830 20.812 200 HB2 LYS 27 HB2 LYS 27 26.304 20.216 18.350 201 HB3 LYS 27 HB3 LYS 27 27.498 21.489 18.630 202 HG2 LYS 27 HG2 LYS 27 28.962 19.709 19.750 203 HG3 LYS 27 HG3 LYS 27 27.808 18.504 19.171 204 HD2 LYS 27 HD2 LYS 27 29.311 20.499 17.422 205 HD3 LYS 27 HD3 LYS 27 29.869 18.853 17.754 206 HE2 LYS 27 HE2 LYS 27 27.854 17.909 16.692 207 HE3 LYS 27 HE3 LYS 27 27.237 19.545 16.368 208 HZ1 LYS 27 HZ1 LYS 27 29.245 19.930 15.007 209 HZ2 LYS 27 HZ2 LYS 27 29.784 18.446 15.293 210 HZ3 LYS 27 HZ3 LYS 27 28.402 18.620 14.423 211 H CYS 28 H CYS 28 27.782 19.513 22.327 212 HA CYS 28 HA CYS 28 29.417 21.867 23.144 213 HB2 CYS 28 HB2 CYS 28 29.244 19.202 24.541 214 HB3 CYS 28 HB3 CYS 28 29.874 20.719 25.152 215 H VAL 29 H VAL 29 31.678 21.884 22.996 216 HA VAL 29 HA VAL 29 33.036 19.490 21.870 217 HB VAL 29 HB VAL 29 34.252 20.812 20.209 218 HG11 VAL 29 HG11 VAL 29 32.529 20.852 18.518 219 HG12 VAL 29 HG12 VAL 29 32.253 19.467 19.583 220 HG13 VAL 29 HG13 VAL 29 31.247 20.925 19.744 221 HG21 VAL 29 HG21 VAL 29 32.237 23.031 20.768 222 HG22 VAL 29 HG22 VAL 29 33.990 23.100 21.050 223 HG23 VAL 29 HG23 VAL 29 33.372 22.972 19.404 224 H TYR 30 H TYR 30 34.989 19.080 22.620 225 HA TYR 30 HA TYR 30 36.140 20.497 24.822 226 HB2 TYR 30 HB2 TYR 30 37.197 18.331 22.996 227 HB3 TYR 30 HB3 TYR 30 38.130 18.982 24.323 228 HD1 TYR 30 HD1 TYR 30 37.731 18.383 26.602 229 HD2 TYR 30 HD2 TYR 30 35.060 17.021 23.500 230 HE1 TYR 30 HE1 TYR 30 36.646 16.837 28.215 231 HE2 TYR 30 HE2 TYR 30 33.970 15.485 25.122 232 HH TYR 30 HH TYR 30 34.746 15.564 28.589 Start of MODEL 17 1 H1 ALA 1 H1 ALA 1 16.323 32.410 12.013 2 H2 ALA 1 H2 ALA 1 17.572 33.419 11.637 3 H3 ALA 1 H3 ALA 1 16.014 33.986 11.709 4 HA ALA 1 HA ALA 1 17.361 34.655 13.580 5 HB1 ALA 1 HB1 ALA 1 15.741 34.055 15.340 6 HB2 ALA 1 HB2 ALA 1 14.918 34.537 13.849 7 HB3 ALA 1 HB3 ALA 1 15.031 32.816 14.280 8 H PHE 2 H PHE 2 18.949 34.133 14.972 9 HA PHE 2 HA PHE 2 20.105 31.469 14.780 10 HB2 PHE 2 HB2 PHE 2 20.951 33.846 16.470 11 HB3 PHE 2 HB3 PHE 2 21.908 32.410 16.129 12 HD1 PHE 2 HD1 PHE 2 21.231 35.740 15.093 13 HD2 PHE 2 HD2 PHE 2 22.330 31.850 13.578 14 HE1 PHE 2 HE1 PHE 2 22.166 36.794 13.055 15 HE2 PHE 2 HE2 PHE 2 23.268 32.913 11.542 16 HZ PHE 2 HZ PHE 2 23.188 35.386 11.280 17 H CYS 3 H CYS 3 20.423 29.958 16.328 18 HA CYS 3 HA CYS 3 18.542 29.478 18.408 19 HB2 CYS 3 HB2 CYS 3 19.783 27.751 17.282 20 HB3 CYS 3 HB3 CYS 3 21.323 28.494 17.715 21 H ASN 4 H ASN 4 18.776 29.452 20.694 22 HA ASN 4 HA ASN 4 20.269 31.587 21.987 23 HB2 ASN 4 HB2 ASN 4 18.676 29.188 22.967 24 HB3 ASN 4 HB3 ASN 4 19.607 30.194 24.068 25 HD21 ASN 4 HD21 ASN 4 16.109 31.641 22.702 26 HD22 ASN 4 HD22 ASN 4 16.719 30.084 22.085 27 H LEU 5 H LEU 5 22.417 31.485 21.694 28 HA LEU 5 HA LEU 5 24.070 29.135 21.837 29 HB2 LEU 5 HB2 LEU 5 24.704 31.145 20.603 30 HB3 LEU 5 HB3 LEU 5 24.618 32.120 22.067 31 HG LEU 5 HG LEU 5 26.553 30.853 23.017 32 HD11 LEU 5 HD11 LEU 5 26.367 28.727 21.794 33 HD12 LEU 5 HD12 LEU 5 26.633 29.572 20.248 34 HD13 LEU 5 HD13 LEU 5 27.926 29.481 21.459 35 HD21 LEU 5 HD21 LEU 5 27.069 32.080 20.283 36 HD22 LEU 5 HD22 LEU 5 26.848 32.983 21.797 37 HD23 LEU 5 HD23 LEU 5 28.232 31.900 21.615 38 H ARG 6 H ARG 6 23.235 31.654 24.281 39 HA ARG 6 HA ARG 6 25.206 30.781 26.204 40 HB2 ARG 6 HB2 ARG 6 22.655 32.375 26.672 41 HB3 ARG 6 HB3 ARG 6 24.022 32.215 27.775 42 HG2 ARG 6 HG2 ARG 6 23.978 33.689 25.125 43 HG3 ARG 6 HG3 ARG 6 24.216 34.331 26.750 44 HD2 ARG 6 HD2 ARG 6 26.345 32.892 26.847 45 HD3 ARG 6 HD3 ARG 6 26.129 32.625 25.110 46 HE ARG 6 HE ARG 6 26.021 35.432 25.829 47 HH11 ARG 6 HH11 ARG 6 28.439 32.873 25.516 48 HH12 ARG 6 HH12 ARG 6 29.613 33.974 24.838 49 HH21 ARG 6 HH21 ARG 6 27.679 36.791 25.112 50 HH22 ARG 6 HH22 ARG 6 29.282 36.104 24.892 51 H ARG 7 H ARG 7 21.766 29.994 25.905 52 HA ARG 7 HA ARG 7 21.559 28.293 28.213 53 HB2 ARG 7 HB2 ARG 7 19.967 28.115 25.617 54 HB3 ARG 7 HB3 ARG 7 19.534 27.419 27.189 55 HG2 ARG 7 HG2 ARG 7 19.448 29.737 28.162 56 HG3 ARG 7 HG3 ARG 7 19.742 30.386 26.537 57 HD2 ARG 7 HD2 ARG 7 17.651 29.127 25.774 58 HD3 ARG 7 HD3 ARG 7 17.334 28.788 27.494 59 HE ARG 7 HE ARG 7 17.835 31.603 26.986 60 HH11 ARG 7 HH11 ARG 7 15.214 29.273 27.143 61 HH12 ARG 7 HH12 ARG 7 14.047 30.544 27.418 62 HH21 ARG 7 HH21 ARG 7 16.281 33.089 26.889 63 HH22 ARG 7 HH22 ARG 7 14.617 32.670 27.198 64 H CYS 8 H CYS 8 22.965 27.681 25.098 65 HA CYS 8 HA CYS 8 23.290 24.793 25.548 66 HB2 CYS 8 HB2 CYS 8 22.922 25.630 23.302 67 HB3 CYS 8 HB3 CYS 8 24.300 26.709 23.426 68 H GLU 9 H GLU 9 25.504 27.691 25.457 69 HA GLU 9 HA GLU 9 27.890 26.420 26.204 70 HB2 GLU 9 HB2 GLU 9 26.838 29.200 26.864 71 HB3 GLU 9 HB3 GLU 9 28.443 28.649 27.332 72 HG2 GLU 9 HG2 GLU 9 28.906 28.145 24.904 73 HG3 GLU 9 HG3 GLU 9 27.418 29.012 24.503 74 H LEU 10 H LEU 10 25.393 27.674 28.476 75 HA LEU 10 HA LEU 10 26.873 26.962 30.824 76 HB2 LEU 10 HB2 LEU 10 25.040 27.688 32.037 77 HB3 LEU 10 HB3 LEU 10 25.093 28.656 30.579 78 HG LEU 10 HG LEU 10 23.285 26.951 29.693 79 HD11 LEU 10 HD11 LEU 10 21.783 26.172 31.498 80 HD12 LEU 10 HD12 LEU 10 23.375 25.427 31.682 81 HD13 LEU 10 HD13 LEU 10 22.921 26.780 32.721 82 HD21 LEU 10 HD21 LEU 10 22.893 29.356 30.066 83 HD22 LEU 10 HD22 LEU 10 21.508 28.407 30.638 84 HD23 LEU 10 HD23 LEU 10 22.676 29.068 31.802 85 H SER 11 H SER 11 24.608 25.073 28.874 86 HA SER 11 HA SER 11 24.506 22.825 30.739 87 HB2 SER 11 HB2 SER 11 22.759 23.241 29.011 88 HB3 SER 11 HB3 SER 11 23.947 22.840 27.753 89 HG SER 11 HG SER 11 23.069 20.939 28.116 90 H CYS 12 H CYS 12 26.536 23.636 27.910 91 HA CYS 12 HA CYS 12 28.123 21.247 27.946 92 HB2 CYS 12 HB2 CYS 12 28.861 24.052 27.027 93 HB3 CYS 12 HB3 CYS 12 29.663 22.557 26.554 94 H ARG 13 H ARG 13 28.342 24.261 29.815 95 HA ARG 13 HA ARG 13 30.907 23.867 30.993 96 HB2 ARG 13 HB2 ARG 13 29.311 25.941 31.083 97 HB3 ARG 13 HB3 ARG 13 28.539 25.103 32.421 98 HG2 ARG 13 HG2 ARG 13 29.986 26.389 33.594 99 HG3 ARG 13 HG3 ARG 13 30.999 24.971 33.397 100 HD2 ARG 13 HD2 ARG 13 31.079 27.528 31.736 101 HD3 ARG 13 HD3 ARG 13 32.209 27.106 33.012 102 HE ARG 13 HE ARG 13 32.175 26.143 30.250 103 HH11 ARG 13 HH11 ARG 13 33.517 25.347 33.464 104 HH12 ARG 13 HH12 ARG 13 34.949 24.664 32.705 105 HH21 ARG 13 HH21 ARG 13 34.160 25.218 29.508 106 HH22 ARG 13 HH22 ARG 13 35.196 24.514 30.724 107 H SER 14 H SER 14 27.797 22.335 31.798 108 HA SER 14 HA SER 14 28.574 21.119 34.262 109 HB2 SER 14 HB2 SER 14 26.688 20.003 32.152 110 HB3 SER 14 HB3 SER 14 26.727 19.583 33.870 111 HG SER 14 HG SER 14 25.147 21.210 33.071 112 H LEU 15 H LEU 15 29.654 20.348 31.046 113 HA LEU 15 HA LEU 15 30.854 17.783 32.003 114 HB2 LEU 15 HB2 LEU 15 30.963 18.928 29.228 115 HB3 LEU 15 HB3 LEU 15 31.255 17.266 29.720 116 HG LEU 15 HG LEU 15 28.604 18.738 29.575 117 HD11 LEU 15 HD11 LEU 15 29.504 18.141 27.400 118 HD12 LEU 15 HD12 LEU 15 29.722 16.454 27.919 119 HD13 LEU 15 HD13 LEU 15 28.094 17.149 27.775 120 HD21 LEU 15 HD21 LEU 15 27.559 16.518 30.054 121 HD22 LEU 15 HD22 LEU 15 29.169 15.824 30.334 122 HD23 LEU 15 HD23 LEU 15 28.524 17.068 31.423 123 H GLY 16 H GLY 16 31.574 21.088 31.672 124 HA2 GLY 16 HA2 GLY 16 33.555 22.242 32.050 125 HA3 GLY 16 HA3 GLY 16 34.495 20.760 31.917 126 H LEU 17 H LEU 17 32.195 21.710 29.350 127 HA LEU 17 HA LEU 17 34.464 22.636 27.646 128 HB2 LEU 17 HB2 LEU 17 32.865 21.433 25.806 129 HB3 LEU 17 HB3 LEU 17 34.379 20.811 26.425 130 HG LEU 17 HG LEU 17 31.724 20.106 27.634 131 HD11 LEU 17 HD11 LEU 17 31.650 19.561 25.219 132 HD12 LEU 17 HD12 LEU 17 33.124 18.599 25.391 133 HD13 LEU 17 HD13 LEU 17 31.630 18.115 26.230 134 HD21 LEU 17 HD21 LEU 17 33.766 19.345 28.920 135 HD22 LEU 17 HD22 LEU 17 32.992 17.942 28.177 136 HD23 LEU 17 HD23 LEU 17 34.422 18.670 27.435 137 H LEU 18 H LEU 18 33.616 23.522 25.501 138 HA LEU 18 HA LEU 18 31.783 25.743 26.246 139 HB2 LEU 18 HB2 LEU 18 32.713 27.060 24.579 140 HB3 LEU 18 HB3 LEU 18 34.041 26.263 25.376 141 HG LEU 18 HG LEU 18 33.911 24.569 23.339 142 HD11 LEU 18 HD11 LEU 18 31.899 25.426 22.213 143 HD12 LEU 18 HD12 LEU 18 32.577 27.072 22.197 144 HD13 LEU 18 HD13 LEU 18 33.305 25.772 21.224 145 HD21 LEU 18 HD21 LEU 18 35.803 26.029 23.805 146 HD22 LEU 18 HD22 LEU 18 35.456 26.051 22.076 147 HD23 LEU 18 HD23 LEU 18 34.955 27.420 23.094 148 H GLY 19 H GLY 19 30.203 26.500 24.646 149 HA2 GLY 19 HA2 GLY 19 28.889 24.210 23.229 150 HA3 GLY 19 HA3 GLY 19 28.005 25.462 24.068 151 H LYS 20 H LYS 20 27.900 24.507 21.341 152 HA LYS 20 HA LYS 20 27.869 27.104 19.876 153 HB2 LYS 20 HB2 LYS 20 28.869 24.440 18.764 154 HB3 LYS 20 HB3 LYS 20 28.602 25.889 17.804 155 HG2 LYS 20 HG2 LYS 20 30.615 25.744 20.076 156 HG3 LYS 20 HG3 LYS 20 30.980 25.311 18.410 157 HD2 LYS 20 HD2 LYS 20 30.501 27.556 17.634 158 HD3 LYS 20 HD3 LYS 20 30.036 28.080 19.273 159 HE2 LYS 20 HE2 LYS 20 32.246 27.767 20.118 160 HE3 LYS 20 HE3 LYS 20 32.732 26.789 18.721 161 HZ1 LYS 20 HZ1 LYS 20 32.697 28.714 17.344 162 HZ2 LYS 20 HZ2 LYS 20 32.145 29.699 18.535 163 HZ3 LYS 20 HZ3 LYS 20 33.642 29.031 18.639 164 H CYS 21 H CYS 21 26.136 27.138 18.291 165 HA CYS 21 HA CYS 21 24.284 24.779 18.452 166 HB2 CYS 21 HB2 CYS 21 23.601 26.578 20.062 167 HB3 CYS 21 HB3 CYS 21 23.300 27.610 18.657 168 H ILE 22 H ILE 22 23.812 23.975 16.611 169 HA ILE 22 HA ILE 22 23.665 25.707 14.159 170 HB ILE 22 HB ILE 22 25.242 23.129 14.417 171 HG12 ILE 22 HG12 ILE 22 26.136 25.969 13.732 172 HG13 ILE 22 HG13 ILE 22 26.412 25.161 15.277 173 HG21 ILE 22 HG21 ILE 22 24.682 24.819 11.936 174 HG22 ILE 22 HG22 ILE 22 25.767 23.418 12.005 175 HG23 ILE 22 HG23 ILE 22 24.055 23.183 12.242 176 HD11 ILE 22 HD11 ILE 22 27.661 24.424 12.620 177 HD12 ILE 22 HD12 ILE 22 28.444 25.064 14.068 178 HD13 ILE 22 HD13 ILE 22 27.771 23.422 14.090 179 H GLY 23 H GLY 23 22.002 25.273 12.833 180 HA2 GLY 23 HA2 GLY 23 20.085 24.290 11.994 181 HA3 GLY 23 HA3 GLY 23 20.765 22.728 12.462 182 H GLU 24 H GLU 24 19.708 25.537 14.397 183 HA GLU 24 HA GLU 24 18.438 25.804 16.228 184 HB2 GLU 24 HB2 GLU 24 16.741 23.501 15.226 185 HB3 GLU 24 HB3 GLU 24 16.273 24.694 16.430 186 HG2 GLU 24 HG2 GLU 24 16.343 26.490 14.791 187 HG3 GLU 24 HG3 GLU 24 16.976 25.396 13.560 188 H GLU 25 H GLU 25 20.495 23.269 16.134 189 HA GLU 25 HA GLU 25 19.654 22.167 18.774 190 HB2 GLU 25 HB2 GLU 25 19.463 20.762 16.613 191 HB3 GLU 25 HB3 GLU 25 21.223 20.727 16.633 192 HG2 GLU 25 HG2 GLU 25 20.730 18.767 17.721 193 HG3 GLU 25 HG3 GLU 25 20.905 19.830 19.114 194 H CYS 26 H CYS 26 21.019 22.065 20.429 195 HA CYS 26 HA CYS 26 23.553 23.451 20.380 196 HB2 CYS 26 HB2 CYS 26 22.056 23.499 22.291 197 HB3 CYS 26 HB3 CYS 26 22.104 21.748 22.423 198 H LYS 27 H LYS 27 25.609 22.728 20.483 199 HA LYS 27 HA LYS 27 26.213 19.880 21.024 200 HB2 LYS 27 HB2 LYS 27 26.291 20.326 18.476 201 HB3 LYS 27 HB3 LYS 27 27.667 21.372 18.810 202 HG2 LYS 27 HG2 LYS 27 28.638 19.336 18.178 203 HG3 LYS 27 HG3 LYS 27 28.782 19.342 19.916 204 HD2 LYS 27 HD2 LYS 27 28.062 17.149 19.368 205 HD3 LYS 27 HD3 LYS 27 26.624 17.948 19.993 206 HE2 LYS 27 HE2 LYS 27 25.957 16.701 18.079 207 HE3 LYS 27 HE3 LYS 27 25.897 18.409 17.631 208 HZ1 LYS 27 HZ1 LYS 27 28.094 18.090 16.544 209 HZ2 LYS 27 HZ2 LYS 27 28.056 16.492 16.950 210 HZ3 LYS 27 HZ3 LYS 27 26.936 17.126 15.914 211 H CYS 28 H CYS 28 28.085 19.546 22.150 212 HA CYS 28 HA CYS 28 29.516 21.948 23.171 213 HB2 CYS 28 HB2 CYS 28 29.135 19.277 24.544 214 HB3 CYS 28 HB3 CYS 28 29.816 20.744 25.230 215 H VAL 29 H VAL 29 31.756 21.964 23.218 216 HA VAL 29 HA VAL 29 33.225 19.550 22.304 217 HB VAL 29 HB VAL 29 34.561 20.803 20.707 218 HG11 VAL 29 HG11 VAL 29 32.568 19.522 19.946 219 HG12 VAL 29 HG12 VAL 29 31.604 21.015 20.016 220 HG13 VAL 29 HG13 VAL 29 32.969 20.886 18.893 221 HG21 VAL 29 HG21 VAL 29 32.593 23.094 21.111 222 HG22 VAL 29 HG22 VAL 29 34.329 23.107 21.497 223 HG23 VAL 29 HG23 VAL 29 33.804 22.983 19.817 224 H TYR 30 H TYR 30 35.160 19.201 23.113 225 HA TYR 30 HA TYR 30 36.277 20.712 25.326 226 HB2 TYR 30 HB2 TYR 30 37.358 18.479 23.591 227 HB3 TYR 30 HB3 TYR 30 38.267 19.226 24.885 228 HD1 TYR 30 HD1 TYR 30 35.354 17.057 24.104 229 HD2 TYR 30 HD2 TYR 30 37.799 18.770 27.210 230 HE1 TYR 30 HE1 TYR 30 34.478 15.385 25.714 231 HE2 TYR 30 HE2 TYR 30 36.898 17.123 28.828 232 HH TYR 30 HH TYR 30 34.954 15.557 29.113 Start of MODEL 18 1 H1 ALA 1 H1 ALA 1 9.875 28.317 17.328 2 H2 ALA 1 H2 ALA 1 11.044 27.227 17.779 3 H3 ALA 1 H3 ALA 1 11.132 27.960 16.311 4 HA ALA 1 HA ALA 1 11.383 30.107 17.328 5 HB1 ALA 1 HB1 ALA 1 10.273 29.629 19.466 6 HB2 ALA 1 HB2 ALA 1 11.551 28.471 19.895 7 HB3 ALA 1 HB3 ALA 1 11.932 30.198 19.750 8 H PHE 2 H PHE 2 13.475 30.936 17.406 9 HA PHE 2 HA PHE 2 15.493 29.239 16.298 10 HB2 PHE 2 HB2 PHE 2 15.802 31.982 17.556 11 HB3 PHE 2 HB3 PHE 2 16.933 31.214 16.454 12 HD1 PHE 2 HD1 PHE 2 14.368 33.602 16.634 13 HD2 PHE 2 HD2 PHE 2 15.803 30.419 14.107 14 HE1 PHE 2 HE1 PHE 2 13.251 34.649 14.683 15 HE2 PHE 2 HE2 PHE 2 14.661 31.453 12.163 16 HZ PHE 2 HZ PHE 2 13.389 33.572 12.440 17 H CYS 3 H CYS 3 17.599 28.678 17.082 18 HA CYS 3 HA CYS 3 17.554 27.391 19.600 19 HB2 CYS 3 HB2 CYS 3 19.874 26.811 19.135 20 HB3 CYS 3 HB3 CYS 3 18.840 26.586 17.729 21 H ASN 4 H ASN 4 18.995 27.543 21.396 22 HA ASN 4 HA ASN 4 19.202 30.348 22.402 23 HB2 ASN 4 HB2 ASN 4 18.327 27.752 23.690 24 HB3 ASN 4 HB3 ASN 4 18.685 29.217 24.611 25 HD21 ASN 4 HD21 ASN 4 15.153 29.015 22.706 26 HD22 ASN 4 HD22 ASN 4 16.218 27.602 22.816 27 H LEU 5 H LEU 5 21.326 30.800 22.018 28 HA LEU 5 HA LEU 5 23.433 28.904 22.201 29 HB2 LEU 5 HB2 LEU 5 23.418 30.784 20.663 30 HB3 LEU 5 HB3 LEU 5 23.407 31.932 21.999 31 HG LEU 5 HG LEU 5 25.685 31.258 22.654 32 HD11 LEU 5 HD11 LEU 5 27.025 29.818 21.135 33 HD12 LEU 5 HD12 LEU 5 25.738 28.909 21.929 34 HD13 LEU 5 HD13 LEU 5 25.553 29.416 20.226 35 HD21 LEU 5 HD21 LEU 5 25.347 33.074 21.015 36 HD22 LEU 5 HD22 LEU 5 26.843 32.189 20.694 37 HD23 LEU 5 HD23 LEU 5 25.415 31.894 19.684 38 H ARG 6 H ARG 6 22.703 31.641 24.477 39 HA ARG 6 HA ARG 6 24.984 31.019 26.116 40 HB2 ARG 6 HB2 ARG 6 23.772 33.230 25.850 41 HB3 ARG 6 HB3 ARG 6 22.642 32.639 27.082 42 HG2 ARG 6 HG2 ARG 6 24.427 32.422 28.698 43 HG3 ARG 6 HG3 ARG 6 25.685 32.577 27.455 44 HD2 ARG 6 HD2 ARG 6 25.574 34.647 28.684 45 HD3 ARG 6 HD3 ARG 6 25.000 34.913 27.041 46 HE ARG 6 HE ARG 6 22.722 34.939 27.827 47 HH11 ARG 6 HH11 ARG 6 24.955 34.846 30.549 48 HH12 ARG 6 HH12 ARG 6 23.683 35.337 31.656 49 HH21 ARG 6 HH21 ARG 6 21.330 35.786 29.229 50 HH22 ARG 6 HH22 ARG 6 21.704 35.915 30.937 51 H ARG 7 H ARG 7 21.652 29.890 26.271 52 HA ARG 7 HA ARG 7 21.997 28.307 28.700 53 HB2 ARG 7 HB2 ARG 7 20.017 28.069 26.408 54 HB3 ARG 7 HB3 ARG 7 19.956 27.104 27.895 55 HG2 ARG 7 HG2 ARG 7 19.751 29.182 29.248 56 HG3 ARG 7 HG3 ARG 7 19.788 30.144 27.764 57 HD2 ARG 7 HD2 ARG 7 17.772 28.673 27.005 58 HD3 ARG 7 HD3 ARG 7 17.650 28.221 28.719 59 HE ARG 7 HE ARG 7 17.839 31.114 28.254 60 HH11 ARG 7 HH11 ARG 7 15.476 28.518 28.599 61 HH12 ARG 7 HH12 ARG 7 14.185 29.706 28.746 62 HH21 ARG 7 HH21 ARG 7 16.260 32.406 28.435 63 HH22 ARG 7 HH22 ARG 7 14.576 31.886 28.482 64 H CYS 8 H CYS 8 22.758 27.694 25.304 65 HA CYS 8 HA CYS 8 23.346 24.862 25.670 66 HB2 CYS 8 HB2 CYS 8 22.886 25.790 23.454 67 HB3 CYS 8 HB3 CYS 8 24.267 26.863 23.577 68 H GLU 9 H GLU 9 25.377 27.853 25.635 69 HA GLU 9 HA GLU 9 27.844 26.746 26.364 70 HB2 GLU 9 HB2 GLU 9 26.483 29.392 26.856 71 HB3 GLU 9 HB3 GLU 9 28.027 29.089 27.630 72 HG2 GLU 9 HG2 GLU 9 27.778 28.563 24.665 73 HG3 GLU 9 HG3 GLU 9 27.870 30.227 25.253 74 H LEU 10 H LEU 10 25.323 27.887 28.706 75 HA LEU 10 HA LEU 10 26.906 27.067 30.974 76 HB2 LEU 10 HB2 LEU 10 25.215 27.857 32.308 77 HB3 LEU 10 HB3 LEU 10 25.106 28.816 30.850 78 HG LEU 10 HG LEU 10 23.233 27.090 30.174 79 HD11 LEU 10 HD11 LEU 10 23.465 25.541 32.085 80 HD12 LEU 10 HD12 LEU 10 23.253 26.890 33.210 81 HD13 LEU 10 HD13 LEU 10 21.910 26.367 32.169 82 HD21 LEU 10 HD21 LEU 10 22.868 29.494 30.551 83 HD22 LEU 10 HD22 LEU 10 21.553 28.547 31.268 84 HD23 LEU 10 HD23 LEU 10 22.827 29.226 32.301 85 H SER 11 H SER 11 24.589 25.337 29.011 86 HA SER 11 HA SER 11 24.391 23.012 30.754 87 HB2 SER 11 HB2 SER 11 23.816 23.250 27.775 88 HB3 SER 11 HB3 SER 11 23.383 21.891 28.828 89 HG SER 11 HG SER 11 22.400 24.532 28.790 90 H CYS 12 H CYS 12 26.414 23.741 27.828 91 HA CYS 12 HA CYS 12 27.811 21.240 27.856 92 HB2 CYS 12 HB2 CYS 12 28.652 23.967 26.810 93 HB3 CYS 12 HB3 CYS 12 29.476 22.447 26.451 94 H ARG 13 H ARG 13 28.382 24.285 29.625 95 HA ARG 13 HA ARG 13 30.944 23.610 30.594 96 HB2 ARG 13 HB2 ARG 13 29.722 25.853 30.739 97 HB3 ARG 13 HB3 ARG 13 28.880 25.227 32.145 98 HG2 ARG 13 HG2 ARG 13 30.857 26.675 32.663 99 HG3 ARG 13 HG3 ARG 13 30.938 25.083 33.404 100 HD2 ARG 13 HD2 ARG 13 33.119 25.882 32.505 101 HD3 ARG 13 HD3 ARG 13 32.611 24.329 31.845 102 HE ARG 13 HE ARG 13 31.728 26.406 30.067 103 HH11 ARG 13 HH11 ARG 13 34.766 24.689 30.879 104 HH12 ARG 13 HH12 ARG 13 35.324 25.001 29.241 105 HH21 ARG 13 HH21 ARG 13 32.831 26.981 28.210 106 HH22 ARG 13 HH22 ARG 13 34.384 26.218 27.919 107 H SER 14 H SER 14 27.865 22.273 31.600 108 HA SER 14 HA SER 14 28.726 21.085 34.073 109 HB2 SER 14 HB2 SER 14 26.896 19.569 33.857 110 HB3 SER 14 HB3 SER 14 26.341 21.146 33.274 111 HG SER 14 HG SER 14 26.489 20.416 31.178 112 H LEU 15 H LEU 15 29.408 20.212 30.735 113 HA LEU 15 HA LEU 15 30.530 17.578 31.385 114 HB2 LEU 15 HB2 LEU 15 30.874 19.104 28.808 115 HB3 LEU 15 HB3 LEU 15 30.897 17.368 29.052 116 HG LEU 15 HG LEU 15 28.491 19.220 29.015 117 HD11 LEU 15 HD11 LEU 15 29.347 16.955 27.182 118 HD12 LEU 15 HD12 LEU 15 27.872 17.935 27.027 119 HD13 LEU 15 HD13 LEU 15 29.458 18.697 26.837 120 HD21 LEU 15 HD21 LEU 15 28.571 16.206 29.464 121 HD22 LEU 15 HD22 LEU 15 28.074 17.413 30.668 122 HD23 LEU 15 HD23 LEU 15 27.108 17.174 29.196 123 H GLY 16 H GLY 16 31.672 20.831 31.393 124 HA2 GLY 16 HA2 GLY 16 33.819 21.573 32.027 125 HA3 GLY 16 HA3 GLY 16 34.531 20.039 31.529 126 H LEU 17 H LEU 17 32.349 21.740 29.318 127 HA LEU 17 HA LEU 17 34.541 22.930 27.752 128 HB2 LEU 17 HB2 LEU 17 33.625 21.666 25.725 129 HB3 LEU 17 HB3 LEU 17 34.780 20.875 26.772 130 HG LEU 17 HG LEU 17 31.909 20.361 27.417 131 HD11 LEU 17 HD11 LEU 17 33.113 19.170 24.907 132 HD12 LEU 17 HD12 LEU 17 31.518 18.818 25.628 133 HD13 LEU 17 HD13 LEU 17 31.867 20.431 24.965 134 HD21 LEU 17 HD21 LEU 17 34.310 18.558 26.863 135 HD22 LEU 17 HD22 LEU 17 33.833 19.101 28.479 136 HD23 LEU 17 HD23 LEU 17 32.776 18.012 27.555 137 H LEU 18 H LEU 18 33.701 23.894 25.652 138 HA LEU 18 HA LEU 18 31.547 25.739 26.362 139 HB2 LEU 18 HB2 LEU 18 32.360 27.119 24.644 140 HB3 LEU 18 HB3 LEU 18 33.760 26.407 25.416 141 HG LEU 18 HG LEU 18 33.492 24.636 23.378 142 HD11 LEU 18 HD11 LEU 18 32.980 25.902 21.287 143 HD12 LEU 18 HD12 LEU 18 31.552 25.698 22.291 144 HD13 LEU 18 HD13 LEU 18 32.399 27.262 22.265 145 HD21 LEU 18 HD21 LEU 18 35.497 26.012 23.913 146 HD22 LEU 18 HD22 LEU 18 35.192 25.880 22.179 147 HD23 LEU 18 HD23 LEU 18 34.760 27.374 23.035 148 H GLY 19 H GLY 19 29.926 26.433 24.796 149 HA2 GLY 19 HA2 GLY 19 28.837 24.197 23.109 150 HA3 GLY 19 HA3 GLY 19 27.813 25.205 24.116 151 H LYS 20 H LYS 20 27.899 24.650 21.189 152 HA LYS 20 HA LYS 20 27.246 27.425 20.357 153 HB2 LYS 20 HB2 LYS 20 28.940 25.453 18.764 154 HB3 LYS 20 HB3 LYS 20 28.101 26.831 18.030 155 HG2 LYS 20 HG2 LYS 20 29.253 28.357 19.643 156 HG3 LYS 20 HG3 LYS 20 30.222 26.970 20.192 157 HD2 LYS 20 HD2 LYS 20 31.003 26.674 17.815 158 HD3 LYS 20 HD3 LYS 20 30.190 28.196 17.398 159 HE2 LYS 20 HE2 LYS 20 32.272 27.826 19.586 160 HE3 LYS 20 HE3 LYS 20 32.646 28.408 17.950 161 HZ1 LYS 20 HZ1 LYS 20 31.043 30.281 18.421 162 HZ2 LYS 20 HZ2 LYS 20 31.009 29.790 19.996 163 HZ3 LYS 20 HZ3 LYS 20 32.410 30.317 19.316 164 H CYS 21 H CYS 21 25.797 27.540 18.515 165 HA CYS 21 HA CYS 21 23.788 25.342 18.474 166 HB2 CYS 21 HB2 CYS 21 22.897 27.528 18.857 167 HB3 CYS 21 HB3 CYS 21 23.767 28.202 17.474 168 H ILE 22 H ILE 22 23.865 23.853 16.960 169 HA ILE 22 HA ILE 22 25.076 24.325 14.278 170 HB ILE 22 HB ILE 22 25.896 22.250 16.336 171 HG12 ILE 22 HG12 ILE 22 27.431 24.330 14.698 172 HG13 ILE 22 HG13 ILE 22 27.063 24.443 16.417 173 HG21 ILE 22 HG21 ILE 22 27.223 21.138 14.603 174 HG22 ILE 22 HG22 ILE 22 25.534 21.100 14.147 175 HG23 ILE 22 HG23 ILE 22 26.632 22.277 13.386 176 HD11 ILE 22 HD11 ILE 22 29.375 23.881 16.106 177 HD12 ILE 22 HD12 ILE 22 28.529 22.559 16.912 178 HD13 ILE 22 HD13 ILE 22 28.967 22.429 15.184 179 H GLY 23 H GLY 23 23.757 23.602 12.714 180 HA2 GLY 23 HA2 GLY 23 21.859 22.751 11.732 181 HA3 GLY 23 HA3 GLY 23 21.989 21.362 12.808 182 H GLU 24 H GLU 24 21.432 24.778 13.736 183 HA GLU 24 HA GLU 24 19.989 25.717 15.190 184 HB2 GLU 24 HB2 GLU 24 17.919 24.188 13.593 185 HB3 GLU 24 HB3 GLU 24 17.584 25.490 14.733 186 HG2 GLU 24 HG2 GLU 24 19.200 26.955 13.416 187 HG3 GLU 24 HG3 GLU 24 19.170 25.705 12.157 188 H GLU 25 H GLU 25 21.221 23.256 16.209 189 HA GLU 25 HA GLU 25 19.644 23.196 18.700 190 HB2 GLU 25 HB2 GLU 25 18.887 21.231 17.432 191 HB3 GLU 25 HB3 GLU 25 20.537 20.704 17.205 192 HG2 GLU 25 HG2 GLU 25 19.399 19.376 18.906 193 HG3 GLU 25 HG3 GLU 25 20.780 20.225 19.587 194 H CYS 26 H CYS 26 20.940 22.550 20.558 195 HA CYS 26 HA CYS 26 23.546 23.722 20.576 196 HB2 CYS 26 HB2 CYS 26 22.019 23.700 22.482 197 HB3 CYS 26 HB3 CYS 26 22.072 21.933 22.529 198 H LYS 27 H LYS 27 25.593 22.905 20.475 199 HA LYS 27 HA LYS 27 26.112 20.017 20.874 200 HB2 LYS 27 HB2 LYS 27 26.102 20.184 18.503 201 HB3 LYS 27 HB3 LYS 27 26.933 21.746 18.520 202 HG2 LYS 27 HG2 LYS 27 28.988 20.766 19.245 203 HG3 LYS 27 HG3 LYS 27 28.250 19.183 19.507 204 HD2 LYS 27 HD2 LYS 27 28.265 18.635 17.293 205 HD3 LYS 27 HD3 LYS 27 28.019 20.303 16.736 206 HE2 LYS 27 HE2 LYS 27 30.286 20.913 17.150 207 HE3 LYS 27 HE3 LYS 27 30.565 19.479 18.156 208 HZ1 LYS 27 HZ1 LYS 27 31.590 19.223 15.989 209 HZ2 LYS 27 HZ2 LYS 27 30.459 18.094 16.245 210 HZ3 LYS 27 HZ3 LYS 27 30.151 19.365 15.219 211 H CYS 28 H CYS 28 27.935 19.613 22.011 212 HA CYS 28 HA CYS 28 29.430 21.962 23.082 213 HB2 CYS 28 HB2 CYS 28 29.193 19.220 24.330 214 HB3 CYS 28 HB3 CYS 28 29.767 20.708 25.068 215 H VAL 29 H VAL 29 31.662 22.077 22.903 216 HA VAL 29 HA VAL 29 33.128 19.743 21.749 217 HB VAL 29 HB VAL 29 34.358 21.221 20.228 218 HG11 VAL 29 HG11 VAL 29 31.374 21.203 19.686 219 HG12 VAL 29 HG12 VAL 29 32.676 21.347 18.485 220 HG13 VAL 29 HG13 VAL 29 32.495 19.845 19.405 221 HG21 VAL 29 HG21 VAL 29 33.968 23.441 21.203 222 HG22 VAL 29 HG22 VAL 29 33.425 23.391 19.528 223 HG23 VAL 29 HG23 VAL 29 32.230 23.316 20.839 224 H TYR 30 H TYR 30 35.076 19.350 22.533 225 HA TYR 30 HA TYR 30 36.156 20.652 24.841 226 HB2 TYR 30 HB2 TYR 30 37.284 18.665 22.846 227 HB3 TYR 30 HB3 TYR 30 38.183 19.241 24.237 228 HD1 TYR 30 HD1 TYR 30 37.798 18.422 26.437 229 HD2 TYR 30 HD2 TYR 30 35.147 17.305 23.230 230 HE1 TYR 30 HE1 TYR 30 36.797 16.677 27.880 231 HE2 TYR 30 HE2 TYR 30 34.133 15.553 24.691 232 HH TYR 30 HH TYR 30 35.416 14.803 27.917 Start of MODEL 19 1 H1 ALA 1 H1 ALA 1 10.670 26.579 16.903 2 H2 ALA 1 H2 ALA 1 12.080 25.828 17.308 3 H3 ALA 1 H3 ALA 1 11.901 26.464 15.814 4 HA ALA 1 HA ALA 1 11.830 28.672 16.643 5 HB1 ALA 1 HB1 ALA 1 10.652 28.190 18.727 6 HB2 ALA 1 HB2 ALA 1 12.065 27.316 19.366 7 HB3 ALA 1 HB3 ALA 1 12.157 29.060 19.076 8 H PHE 2 H PHE 2 13.696 29.947 17.204 9 HA PHE 2 HA PHE 2 16.198 29.060 16.298 10 HB2 PHE 2 HB2 PHE 2 15.558 31.328 18.219 11 HB3 PHE 2 HB3 PHE 2 17.033 31.179 17.289 12 HD1 PHE 2 HD1 PHE 2 14.382 33.203 17.419 13 HD2 PHE 2 HD2 PHE 2 16.216 30.527 14.574 14 HE1 PHE 2 HE1 PHE 2 13.416 34.520 15.545 15 HE2 PHE 2 HE2 PHE 2 15.262 31.858 12.712 16 HZ PHE 2 HZ PHE 2 13.863 33.850 13.193 17 H CYS 3 H CYS 3 18.284 28.981 17.418 18 HA CYS 3 HA CYS 3 18.179 27.084 19.610 19 HB2 CYS 3 HB2 CYS 3 20.583 26.951 19.367 20 HB3 CYS 3 HB3 CYS 3 19.771 26.826 17.822 21 H ASN 4 H ASN 4 18.694 27.269 21.690 22 HA ASN 4 HA ASN 4 18.970 29.986 22.917 23 HB2 ASN 4 HB2 ASN 4 18.338 27.337 24.267 24 HB3 ASN 4 HB3 ASN 4 18.333 28.935 25.003 25 HD21 ASN 4 HD21 ASN 4 15.238 29.221 22.578 26 HD22 ASN 4 HD22 ASN 4 16.816 29.979 22.410 27 H LEU 5 H LEU 5 21.128 30.104 21.993 28 HA LEU 5 HA LEU 5 23.098 28.097 22.533 29 HB2 LEU 5 HB2 LEU 5 23.158 29.451 20.536 30 HB3 LEU 5 HB3 LEU 5 23.292 30.932 21.472 31 HG LEU 5 HG LEU 5 25.533 30.306 22.261 32 HD11 LEU 5 HD11 LEU 5 25.427 27.864 22.271 33 HD12 LEU 5 HD12 LEU 5 25.150 27.835 20.521 34 HD13 LEU 5 HD13 LEU 5 26.709 28.385 21.180 35 HD21 LEU 5 HD21 LEU 5 25.256 31.583 20.171 36 HD22 LEU 5 HD22 LEU 5 26.674 30.528 20.106 37 HD23 LEU 5 HD23 LEU 5 25.192 30.073 19.241 38 H ARG 6 H ARG 6 22.516 31.297 24.095 39 HA ARG 6 HA ARG 6 24.793 31.213 25.825 40 HB2 ARG 6 HB2 ARG 6 22.599 32.953 25.390 41 HB3 ARG 6 HB3 ARG 6 22.367 32.407 27.036 42 HG2 ARG 6 HG2 ARG 6 23.617 34.296 27.350 43 HG3 ARG 6 HG3 ARG 6 24.887 33.085 27.381 44 HD2 ARG 6 HD2 ARG 6 24.073 34.803 24.983 45 HD3 ARG 6 HD3 ARG 6 25.431 35.151 26.053 46 HE ARG 6 HE ARG 6 26.049 32.629 25.151 47 HH11 ARG 6 HH11 ARG 6 25.577 35.722 23.458 48 HH12 ARG 6 HH12 ARG 6 26.237 35.053 22.003 49 HH21 ARG 6 HH21 ARG 6 27.068 32.035 23.407 50 HH22 ARG 6 HH22 ARG 6 27.188 33.072 21.973 51 H ARG 7 H ARG 7 21.516 29.934 26.440 52 HA ARG 7 HA ARG 7 22.264 28.660 28.954 53 HB2 ARG 7 HB2 ARG 7 19.882 28.392 27.097 54 HB3 ARG 7 HB3 ARG 7 20.063 27.398 28.554 55 HG2 ARG 7 HG2 ARG 7 20.172 29.376 29.981 56 HG3 ARG 7 HG3 ARG 7 20.100 30.452 28.570 57 HD2 ARG 7 HD2 ARG 7 17.902 29.642 27.986 58 HD3 ARG 7 HD3 ARG 7 17.930 28.438 29.291 59 HE ARG 7 HE ARG 7 18.270 30.760 30.695 60 HH11 ARG 7 HH11 ARG 7 15.870 29.912 28.274 61 HH12 ARG 7 HH12 ARG 7 14.804 31.192 28.793 62 HH21 ARG 7 HH21 ARG 7 16.761 31.986 31.534 63 HH22 ARG 7 HH22 ARG 7 15.155 32.142 30.811 64 H CYS 8 H CYS 8 22.562 27.567 25.630 65 HA CYS 8 HA CYS 8 23.049 24.770 26.263 66 HB2 CYS 8 HB2 CYS 8 22.465 25.477 23.996 67 HB3 CYS 8 HB3 CYS 8 23.886 26.509 23.928 68 H GLU 9 H GLU 9 25.242 27.574 25.660 69 HA GLU 9 HA GLU 9 27.710 26.299 26.073 70 HB2 GLU 9 HB2 GLU 9 26.727 29.129 26.557 71 HB3 GLU 9 HB3 GLU 9 28.414 28.674 26.770 72 HG2 GLU 9 HG2 GLU 9 28.627 27.994 24.462 73 HG3 GLU 9 HG3 GLU 9 26.909 28.256 24.159 74 H LEU 10 H LEU 10 25.657 27.875 28.574 75 HA LEU 10 HA LEU 10 27.536 27.257 30.699 76 HB2 LEU 10 HB2 LEU 10 26.116 28.362 32.110 77 HB3 LEU 10 HB3 LEU 10 25.828 29.113 30.557 78 HG LEU 10 HG LEU 10 23.808 27.395 30.437 79 HD11 LEU 10 HD11 LEU 10 22.763 27.054 32.651 80 HD12 LEU 10 HD12 LEU 10 24.318 26.217 32.585 81 HD13 LEU 10 HD13 LEU 10 24.188 27.764 33.439 82 HD21 LEU 10 HD21 LEU 10 23.617 29.851 30.438 83 HD22 LEU 10 HD22 LEU 10 22.368 29.118 31.455 84 HD23 LEU 10 HD23 LEU 10 23.792 29.872 32.202 85 H SER 11 H SER 11 24.915 25.471 29.230 86 HA SER 11 HA SER 11 24.793 23.387 31.290 87 HB2 SER 11 HB2 SER 11 23.867 23.254 28.396 88 HB3 SER 11 HB3 SER 11 23.458 22.133 29.703 89 HG SER 11 HG SER 11 22.736 24.863 29.381 90 H CYS 12 H CYS 12 26.514 23.739 28.151 91 HA CYS 12 HA CYS 12 27.899 21.250 28.169 92 HB2 CYS 12 HB2 CYS 12 28.721 23.966 27.072 93 HB3 CYS 12 HB3 CYS 12 29.494 22.445 26.653 94 H ARG 13 H ARG 13 28.536 24.274 29.901 95 HA ARG 13 HA ARG 13 31.144 23.671 30.845 96 HB2 ARG 13 HB2 ARG 13 29.704 25.855 30.928 97 HB3 ARG 13 HB3 ARG 13 29.124 25.216 32.473 98 HG2 ARG 13 HG2 ARG 13 31.398 25.195 33.365 99 HG3 ARG 13 HG3 ARG 13 32.070 25.593 31.776 100 HD2 ARG 13 HD2 ARG 13 32.031 27.564 33.204 101 HD3 ARG 13 HD3 ARG 13 30.979 27.784 31.802 102 HE ARG 13 HE ARG 13 29.118 26.978 33.515 103 HH11 ARG 13 HH11 ARG 13 31.725 29.242 34.388 104 HH12 ARG 13 HH12 ARG 13 30.757 29.828 35.719 105 HH21 ARG 13 HH21 ARG 13 28.010 27.938 34.981 106 HH22 ARG 13 HH22 ARG 13 28.661 29.294 35.912 107 H SER 14 H SER 14 28.078 22.288 31.878 108 HA SER 14 HA SER 14 29.052 21.160 34.361 109 HB2 SER 14 HB2 SER 14 27.122 19.817 34.395 110 HB3 SER 14 HB3 SER 14 26.614 21.365 33.709 111 HG SER 14 HG SER 14 26.512 20.441 31.700 112 H LEU 15 H LEU 15 29.321 20.128 30.987 113 HA LEU 15 HA LEU 15 30.581 17.548 31.603 114 HB2 LEU 15 HB2 LEU 15 30.859 19.070 29.015 115 HB3 LEU 15 HB3 LEU 15 30.916 17.337 29.284 116 HG LEU 15 HG LEU 15 28.475 19.150 29.264 117 HD11 LEU 15 HD11 LEU 15 27.841 17.868 27.289 118 HD12 LEU 15 HD12 LEU 15 29.417 18.640 27.072 119 HD13 LEU 15 HD13 LEU 15 29.329 16.897 27.416 120 HD21 LEU 15 HD21 LEU 15 28.114 17.323 30.925 121 HD22 LEU 15 HD22 LEU 15 27.108 17.096 29.490 122 HD23 LEU 15 HD23 LEU 15 28.589 16.130 29.697 123 H GLY 16 H GLY 16 31.528 20.861 31.100 124 HA2 GLY 16 HA2 GLY 16 33.551 21.688 32.217 125 HA3 GLY 16 HA3 GLY 16 34.429 20.291 31.591 126 H LEU 17 H LEU 17 32.212 21.747 29.319 127 HA LEU 17 HA LEU 17 34.434 23.129 27.890 128 HB2 LEU 17 HB2 LEU 17 33.638 21.790 25.856 129 HB3 LEU 17 HB3 LEU 17 34.701 21.034 27.001 130 HG LEU 17 HG LEU 17 31.812 20.536 27.562 131 HD11 LEU 17 HD11 LEU 17 31.399 19.023 25.787 132 HD12 LEU 17 HD12 LEU 17 31.823 20.607 25.092 133 HD13 LEU 17 HD13 LEU 17 33.012 19.287 25.079 134 HD21 LEU 17 HD21 LEU 17 32.665 18.187 27.702 135 HD22 LEU 17 HD22 LEU 17 34.207 18.723 27.026 136 HD23 LEU 17 HD23 LEU 17 33.716 19.271 28.642 137 H LEU 18 H LEU 18 33.578 23.917 25.648 138 HA LEU 18 HA LEU 18 31.355 25.774 26.203 139 HB2 LEU 18 HB2 LEU 18 32.160 27.074 24.414 140 HB3 LEU 18 HB3 LEU 18 33.532 26.542 25.359 141 HG LEU 18 HG LEU 18 33.676 24.627 23.483 142 HD11 LEU 18 HD11 LEU 18 32.281 26.931 22.041 143 HD12 LEU 18 HD12 LEU 18 33.160 25.612 21.244 144 HD13 LEU 18 HD13 LEU 18 31.709 25.251 22.171 145 HD21 LEU 18 HD21 LEU 18 35.430 26.268 23.977 146 HD22 LEU 18 HD22 LEU 18 35.236 26.062 22.236 147 HD23 LEU 18 HD23 LEU 18 34.562 27.505 23.039 148 H GLY 19 H GLY 19 29.874 26.326 24.338 149 HA2 GLY 19 HA2 GLY 19 28.885 23.900 22.908 150 HA3 GLY 19 HA3 GLY 19 27.780 24.942 23.779 151 H LYS 20 H LYS 20 27.801 24.206 20.968 152 HA LYS 20 HA LYS 20 28.050 26.855 19.587 153 HB2 LYS 20 HB2 LYS 20 28.977 24.167 18.479 154 HB3 LYS 20 HB3 LYS 20 29.018 25.729 17.650 155 HG2 LYS 20 HG2 LYS 20 30.603 26.570 19.418 156 HG3 LYS 20 HG3 LYS 20 30.584 24.961 20.150 157 HD2 LYS 20 HD2 LYS 20 32.562 25.177 18.861 158 HD3 LYS 20 HD3 LYS 20 31.527 23.990 18.074 159 HE2 LYS 20 HE2 LYS 20 31.031 25.411 16.269 160 HE3 LYS 20 HE3 LYS 20 31.382 26.886 17.218 161 HZ1 LYS 20 HZ1 LYS 20 33.685 26.387 17.126 162 HZ2 LYS 20 HZ2 LYS 20 33.467 24.962 16.406 163 HZ3 LYS 20 HZ3 LYS 20 33.128 26.368 15.569 164 H CYS 21 H CYS 21 26.422 27.335 18.222 165 HA CYS 21 HA CYS 21 24.038 25.609 18.231 166 HB2 CYS 21 HB2 CYS 21 23.705 27.908 18.722 167 HB3 CYS 21 HB3 CYS 21 24.585 28.428 17.295 168 H ILE 22 H ILE 22 23.298 24.449 16.636 169 HA ILE 22 HA ILE 22 24.831 24.141 14.132 170 HB ILE 22 HB ILE 22 22.715 22.354 15.344 171 HG12 ILE 22 HG12 ILE 22 24.487 22.419 16.963 172 HG13 ILE 22 HG13 ILE 22 24.559 20.894 16.125 173 HG21 ILE 22 HG21 ILE 22 24.736 21.838 13.141 174 HG22 ILE 22 HG22 ILE 22 23.774 20.575 13.932 175 HG23 ILE 22 HG23 ILE 22 22.966 21.838 13.003 176 HD11 ILE 22 HD11 ILE 22 26.488 21.675 14.782 177 HD12 ILE 22 HD12 ILE 22 26.397 23.274 15.561 178 HD13 ILE 22 HD13 ILE 22 26.797 21.855 16.520 179 H GLY 23 H GLY 23 22.069 25.557 15.212 180 HA2 GLY 23 HA2 GLY 23 21.131 26.974 13.118 181 HA3 GLY 23 HA3 GLY 23 20.422 25.387 12.764 182 H GLU 24 H GLU 24 19.114 24.393 14.443 183 HA GLU 24 HA GLU 24 17.730 26.289 16.317 184 HB2 GLU 24 HB2 GLU 24 16.813 23.625 15.154 185 HB3 GLU 24 HB3 GLU 24 15.937 24.583 16.353 186 HG2 GLU 24 HG2 GLU 24 15.921 26.502 14.710 187 HG3 GLU 24 HG3 GLU 24 16.576 25.395 13.489 188 H GLU 25 H GLU 25 19.521 23.249 16.029 189 HA GLU 25 HA GLU 25 19.369 22.788 18.964 190 HB2 GLU 25 HB2 GLU 25 20.429 21.145 16.643 191 HB3 GLU 25 HB3 GLU 25 20.702 20.697 18.323 192 HG2 GLU 25 HG2 GLU 25 17.909 21.136 17.189 193 HG3 GLU 25 HG3 GLU 25 18.726 19.584 17.173 194 H CYS 26 H CYS 26 21.466 22.085 19.989 195 HA CYS 26 HA CYS 26 23.863 23.495 19.026 196 HB2 CYS 26 HB2 CYS 26 22.711 25.151 20.350 197 HB3 CYS 26 HB3 CYS 26 22.440 24.006 21.657 198 H LYS 27 H LYS 27 25.751 22.544 19.611 199 HA LYS 27 HA LYS 27 25.650 20.086 21.319 200 HB2 LYS 27 HB2 LYS 27 26.712 18.788 19.832 201 HB3 LYS 27 HB3 LYS 27 25.867 19.821 18.681 202 HG2 LYS 27 HG2 LYS 27 28.046 21.211 18.587 203 HG3 LYS 27 HG3 LYS 27 28.785 19.917 19.539 204 HD2 LYS 27 HD2 LYS 27 27.772 19.797 16.682 205 HD3 LYS 27 HD3 LYS 27 29.393 19.495 17.311 206 HE2 LYS 27 HE2 LYS 27 28.244 17.498 18.581 207 HE3 LYS 27 HE3 LYS 27 26.921 17.745 17.431 208 HZ1 LYS 27 HZ1 LYS 27 28.393 16.138 16.532 209 HZ2 LYS 27 HZ2 LYS 27 28.663 17.465 15.639 210 HZ3 LYS 27 HZ3 LYS 27 29.728 17.025 16.845 211 H CYS 28 H CYS 28 27.537 19.548 22.496 212 HA CYS 28 HA CYS 28 29.199 21.902 23.191 213 HB2 CYS 28 HB2 CYS 28 29.089 19.212 24.536 214 HB3 CYS 28 HB3 CYS 28 29.720 20.723 25.182 215 H VAL 29 H VAL 29 31.507 21.932 23.050 216 HA VAL 29 HA VAL 29 32.854 19.530 21.922 217 HB VAL 29 HB VAL 29 34.110 20.804 20.273 218 HG11 VAL 29 HG11 VAL 29 32.086 19.528 19.610 219 HG12 VAL 29 HG12 VAL 29 31.120 21.012 19.760 220 HG13 VAL 29 HG13 VAL 29 32.417 20.910 18.555 221 HG21 VAL 29 HG21 VAL 29 33.379 22.977 19.463 222 HG22 VAL 29 HG22 VAL 29 32.164 23.090 20.760 223 HG23 VAL 29 HG23 VAL 29 33.901 23.100 21.137 224 H TYR 30 H TYR 30 34.808 19.133 22.603 225 HA TYR 30 HA TYR 30 35.894 20.307 24.934 226 HB2 TYR 30 HB2 TYR 30 36.910 18.316 22.884 227 HB3 TYR 30 HB3 TYR 30 37.911 18.827 24.223 228 HD1 TYR 30 HD1 TYR 30 37.315 18.396 26.540 229 HD2 TYR 30 HD2 TYR 30 34.998 16.761 23.295 230 HE1 TYR 30 HE1 TYR 30 36.265 16.796 28.111 231 HE2 TYR 30 HE2 TYR 30 33.960 15.126 24.865 232 HH TYR 30 HH TYR 30 35.058 14.862 28.251 Start of MODEL 20 1 H1 ALA 1 H1 ALA 1 13.338 30.492 13.814 2 H2 ALA 1 H2 ALA 1 12.193 29.310 13.819 3 H3 ALA 1 H3 ALA 1 13.752 28.951 13.394 4 HA ALA 1 HA ALA 1 12.970 29.958 16.039 5 HB1 ALA 1 HB1 ALA 1 13.250 27.652 16.884 6 HB2 ALA 1 HB2 ALA 1 11.935 27.742 15.701 7 HB3 ALA 1 HB3 ALA 1 13.508 27.062 15.226 8 H PHE 2 H PHE 2 14.673 30.400 17.360 9 HA PHE 2 HA PHE 2 17.375 30.325 16.194 10 HB2 PHE 2 HB2 PHE 2 16.435 31.475 18.832 11 HB3 PHE 2 HB3 PHE 2 17.967 31.791 18.024 12 HD1 PHE 2 HD1 PHE 2 14.992 33.303 18.761 13 HD2 PHE 2 HD2 PHE 2 17.493 32.527 15.342 14 HE1 PHE 2 HE1 PHE 2 13.993 35.253 17.587 15 HE2 PHE 2 HE2 PHE 2 16.478 34.452 14.158 16 HZ PHE 2 HZ PHE 2 14.718 35.822 15.283 17 H CYS 3 H CYS 3 19.240 29.533 17.298 18 HA CYS 3 HA CYS 3 18.861 27.127 18.936 19 HB2 CYS 3 HB2 CYS 3 21.308 26.991 18.826 20 HB3 CYS 3 HB3 CYS 3 20.578 27.140 17.252 21 H ASN 4 H ASN 4 19.044 26.950 21.055 22 HA ASN 4 HA ASN 4 18.905 29.218 22.833 23 HB2 ASN 4 HB2 ASN 4 19.140 26.228 23.426 24 HB3 ASN 4 HB3 ASN 4 18.596 27.474 24.542 25 HD21 ASN 4 HD21 ASN 4 15.335 27.704 23.099 26 HD22 ASN 4 HD22 ASN 4 16.591 28.746 23.767 27 H LEU 5 H LEU 5 21.327 29.693 21.735 28 HA LEU 5 HA LEU 5 23.508 28.205 22.614 29 HB2 LEU 5 HB2 LEU 5 23.569 29.833 20.779 30 HB3 LEU 5 HB3 LEU 5 23.439 31.162 21.932 31 HG LEU 5 HG LEU 5 25.643 30.539 22.913 32 HD11 LEU 5 HD11 LEU 5 27.108 28.948 21.682 33 HD12 LEU 5 HD12 LEU 5 25.740 28.132 22.429 34 HD13 LEU 5 HD13 LEU 5 25.726 28.459 20.677 35 HD21 LEU 5 HD21 LEU 5 25.507 32.176 21.081 36 HD22 LEU 5 HD22 LEU 5 27.020 31.266 21.033 37 HD23 LEU 5 HD23 LEU 5 25.716 30.872 19.890 38 H ARG 6 H ARG 6 21.956 30.850 24.450 39 HA ARG 6 HA ARG 6 24.078 31.130 26.412 40 HB2 ARG 6 HB2 ARG 6 21.112 31.718 26.841 41 HB3 ARG 6 HB3 ARG 6 22.462 32.371 27.735 42 HG2 ARG 6 HG2 ARG 6 21.795 32.963 24.825 43 HG3 ARG 6 HG3 ARG 6 21.488 34.015 26.200 44 HD2 ARG 6 HD2 ARG 6 24.273 33.147 25.327 45 HD3 ARG 6 HD3 ARG 6 23.458 34.632 24.826 46 HE ARG 6 HE ARG 6 23.542 34.365 27.727 47 HH11 ARG 6 HH11 ARG 6 25.359 35.590 24.963 48 HH12 ARG 6 HH12 ARG 6 26.196 36.749 25.998 49 HH21 ARG 6 HH21 ARG 6 24.754 35.787 28.905 50 HH22 ARG 6 HH22 ARG 6 25.821 36.892 28.050 51 H ARG 7 H ARG 7 21.005 29.302 26.475 52 HA ARG 7 HA ARG 7 21.594 28.003 29.028 53 HB2 ARG 7 HB2 ARG 7 19.519 27.400 26.873 54 HB3 ARG 7 HB3 ARG 7 19.604 26.598 28.453 55 HG2 ARG 7 HG2 ARG 7 19.397 28.825 29.575 56 HG3 ARG 7 HG3 ARG 7 19.184 29.586 27.989 57 HD2 ARG 7 HD2 ARG 7 17.131 28.275 27.614 58 HD3 ARG 7 HD3 ARG 7 17.366 27.457 29.174 59 HE ARG 7 HE ARG 7 17.338 30.353 29.430 60 HH11 ARG 7 HH11 ARG 7 15.062 27.653 29.079 61 HH12 ARG 7 HH12 ARG 7 13.805 28.559 29.892 62 HH21 ARG 7 HH21 ARG 7 15.688 31.205 30.774 63 HH22 ARG 7 HH22 ARG 7 14.119 30.395 30.739 64 H CYS 8 H CYS 8 22.220 27.146 25.684 65 HA CYS 8 HA CYS 8 23.128 24.453 26.124 66 HB2 CYS 8 HB2 CYS 8 22.499 25.368 23.940 67 HB3 CYS 8 HB3 CYS 8 23.799 26.546 24.041 68 H GLU 9 H GLU 9 25.017 27.558 25.824 69 HA GLU 9 HA GLU 9 27.548 26.500 26.386 70 HB2 GLU 9 HB2 GLU 9 26.269 29.206 26.807 71 HB3 GLU 9 HB3 GLU 9 27.914 28.939 27.348 72 HG2 GLU 9 HG2 GLU 9 27.175 28.186 24.508 73 HG3 GLU 9 HG3 GLU 9 27.426 29.880 24.936 74 H LEU 10 H LEU 10 25.121 27.613 28.815 75 HA LEU 10 HA LEU 10 26.959 27.089 31.019 76 HB2 LEU 10 HB2 LEU 10 25.367 27.901 32.436 77 HB3 LEU 10 HB3 LEU 10 25.083 28.764 30.946 78 HG LEU 10 HG LEU 10 23.243 26.887 30.563 79 HD11 LEU 10 HD11 LEU 10 23.778 25.561 32.614 80 HD12 LEU 10 HD12 LEU 10 23.460 26.992 33.609 81 HD13 LEU 10 HD13 LEU 10 22.151 26.230 32.679 82 HD21 LEU 10 HD21 LEU 10 22.802 29.301 30.773 83 HD22 LEU 10 HD22 LEU 10 21.595 28.362 31.663 84 HD23 LEU 10 HD23 LEU 10 22.906 29.178 32.542 85 H SER 11 H SER 11 24.517 25.174 29.368 86 HA SER 11 HA SER 11 24.532 22.894 31.151 87 HB2 SER 11 HB2 SER 11 23.968 23.029 28.158 88 HB3 SER 11 HB3 SER 11 23.639 21.660 29.221 89 HG SER 11 HG SER 11 22.435 24.222 29.203 90 H CYS 12 H CYS 12 26.486 23.722 28.248 91 HA CYS 12 HA CYS 12 28.064 21.315 28.301 92 HB2 CYS 12 HB2 CYS 12 28.722 24.005 27.046 93 HB3 CYS 12 HB3 CYS 12 29.408 22.438 26.614 94 H ARG 13 H ARG 13 28.579 24.579 29.730 95 HA ARG 13 HA ARG 13 31.187 24.255 30.711 96 HB2 ARG 13 HB2 ARG 13 29.818 26.323 30.691 97 HB3 ARG 13 HB3 ARG 13 28.840 25.700 32.022 98 HG2 ARG 13 HG2 ARG 13 30.726 25.766 33.533 99 HG3 ARG 13 HG3 ARG 13 31.853 26.092 32.204 100 HD2 ARG 13 HD2 ARG 13 29.570 27.988 32.869 101 HD3 ARG 13 HD3 ARG 13 31.116 28.086 33.694 102 HE ARG 13 HE ARG 13 30.607 28.621 30.811 103 HH11 ARG 13 HH11 ARG 13 33.050 28.572 33.379 104 HH12 ARG 13 HH12 ARG 13 34.131 29.579 32.449 105 HH21 ARG 13 HH21 ARG 13 31.983 29.911 29.778 106 HH22 ARG 13 HH22 ARG 13 33.612 30.194 30.379 107 H SER 14 H SER 14 28.217 22.838 32.048 108 HA SER 14 HA SER 14 29.226 21.891 34.530 109 HB2 SER 14 HB2 SER 14 26.849 21.752 33.847 110 HB3 SER 14 HB3 SER 14 27.277 20.525 32.636 111 HG SER 14 HG SER 14 26.711 19.342 34.347 112 H LEU 15 H LEU 15 29.561 20.453 31.259 113 HA LEU 15 HA LEU 15 31.008 18.086 32.212 114 HB2 LEU 15 HB2 LEU 15 30.863 19.118 29.383 115 HB3 LEU 15 HB3 LEU 15 31.108 17.464 29.924 116 HG LEU 15 HG LEU 15 28.542 19.087 29.948 117 HD11 LEU 15 HD11 LEU 15 29.379 16.608 28.401 118 HD12 LEU 15 HD12 LEU 15 27.772 17.369 28.356 119 HD13 LEU 15 HD13 LEU 15 29.178 18.256 27.759 120 HD21 LEU 15 HD21 LEU 15 28.533 17.615 31.933 121 HD22 LEU 15 HD22 LEU 15 27.430 16.976 30.711 122 HD23 LEU 15 HD23 LEU 15 29.032 16.234 30.938 123 H GLY 16 H GLY 16 31.898 21.318 31.543 124 HA2 GLY 16 HA2 GLY 16 34.039 22.289 31.703 125 HA3 GLY 16 HA3 GLY 16 34.798 20.710 31.525 126 H LEU 17 H LEU 17 32.328 21.626 29.183 127 HA LEU 17 HA LEU 17 34.405 22.455 27.210 128 HB2 LEU 17 HB2 LEU 17 32.677 21.211 25.570 129 HB3 LEU 17 HB3 LEU 17 34.178 20.526 26.142 130 HG LEU 17 HG LEU 17 31.595 20.064 27.602 131 HD11 LEU 17 HD11 LEU 17 31.239 19.457 25.201 132 HD12 LEU 17 HD12 LEU 17 32.562 18.294 25.333 133 HD13 LEU 17 HD13 LEU 17 31.104 18.101 26.327 134 HD21 LEU 17 HD21 LEU 17 34.110 18.357 27.150 135 HD22 LEU 17 HD22 LEU 17 33.733 19.188 28.657 136 HD23 LEU 17 HD23 LEU 17 32.723 17.844 28.120 137 H LEU 18 H LEU 18 33.452 23.338 25.228 138 HA LEU 18 HA LEU 18 31.629 25.554 25.983 139 HB2 LEU 18 HB2 LEU 18 32.341 26.630 23.976 140 HB3 LEU 18 HB3 LEU 18 33.738 26.090 24.885 141 HG LEU 18 HG LEU 18 33.360 23.957 23.151 142 HD11 LEU 18 HD11 LEU 18 32.684 26.518 21.632 143 HD12 LEU 18 HD12 LEU 18 33.071 24.950 20.903 144 HD13 LEU 18 HD13 LEU 18 31.599 25.131 21.877 145 HD21 LEU 18 HD21 LEU 18 34.988 26.474 22.626 146 HD22 LEU 18 HD22 LEU 18 35.493 25.095 23.630 147 HD23 LEU 18 HD23 LEU 18 35.257 24.876 21.890 148 H GLY 19 H GLY 19 29.821 26.096 24.725 149 HA2 GLY 19 HA2 GLY 19 28.470 23.850 23.258 150 HA3 GLY 19 HA3 GLY 19 27.657 25.209 24.030 151 H LYS 20 H LYS 20 27.841 24.137 21.131 152 HA LYS 20 HA LYS 20 28.442 26.743 19.790 153 HB2 LYS 20 HB2 LYS 20 30.340 25.069 19.718 154 HB3 LYS 20 HB3 LYS 20 29.310 24.018 18.738 155 HG2 LYS 20 HG2 LYS 20 29.116 25.811 17.026 156 HG3 LYS 20 HG3 LYS 20 30.091 26.888 18.038 157 HD2 LYS 20 HD2 LYS 20 31.048 24.259 16.825 158 HD3 LYS 20 HD3 LYS 20 31.400 25.880 16.194 159 HE2 LYS 20 HE2 LYS 20 32.532 26.451 18.358 160 HE3 LYS 20 HE3 LYS 20 32.231 24.802 18.924 161 HZ1 LYS 20 HZ1 LYS 20 33.929 25.557 16.616 162 HZ2 LYS 20 HZ2 LYS 20 34.421 24.928 18.066 163 HZ3 LYS 20 HZ3 LYS 20 33.564 23.997 17.050 164 H CYS 21 H CYS 21 27.049 27.376 18.296 165 HA CYS 21 HA CYS 21 24.528 25.913 18.072 166 HB2 CYS 21 HB2 CYS 21 24.461 28.235 18.585 167 HB3 CYS 21 HB3 CYS 21 25.492 28.638 17.214 168 H ILE 22 H ILE 22 23.810 24.806 16.427 169 HA ILE 22 HA ILE 22 25.092 24.896 13.724 170 HB ILE 22 HB ILE 22 24.066 22.419 15.151 171 HG12 ILE 22 HG12 ILE 22 26.922 23.271 14.475 172 HG13 ILE 22 HG13 ILE 22 26.226 23.171 16.092 173 HG21 ILE 22 HG21 ILE 22 25.437 22.717 12.431 174 HG22 ILE 22 HG22 ILE 22 24.847 21.209 13.160 175 HG23 ILE 22 HG23 ILE 22 23.701 22.431 12.661 176 HD11 ILE 22 HD11 ILE 22 25.886 20.711 15.772 177 HD12 ILE 22 HD12 ILE 22 26.814 20.842 14.253 178 HD13 ILE 22 HD13 ILE 22 27.580 21.247 15.795 179 H GLY 23 H GLY 23 23.552 26.346 12.945 180 HA2 GLY 23 HA2 GLY 23 21.552 27.001 11.994 181 HA3 GLY 23 HA3 GLY 23 20.996 25.333 12.114 182 H GLU 24 H GLU 24 19.192 25.109 13.362 183 HA GLU 24 HA GLU 24 18.548 27.075 15.510 184 HB2 GLU 24 HB2 GLU 24 16.340 26.295 15.457 185 HB3 GLU 24 HB3 GLU 24 16.824 26.411 13.774 186 HG2 GLU 24 HG2 GLU 24 17.207 23.930 13.753 187 HG3 GLU 24 HG3 GLU 24 16.676 23.849 15.429 188 H GLU 25 H GLU 25 20.492 24.494 15.461 189 HA GLU 25 HA GLU 25 19.631 23.395 18.083 190 HB2 GLU 25 HB2 GLU 25 19.588 21.794 16.221 191 HB3 GLU 25 HB3 GLU 25 21.258 22.175 15.847 192 HG2 GLU 25 HG2 GLU 25 21.132 20.046 16.864 193 HG3 GLU 25 HG3 GLU 25 22.039 21.127 17.895 194 H CYS 26 H CYS 26 21.343 22.764 19.611 195 HA CYS 26 HA CYS 26 23.996 23.913 19.054 196 HB2 CYS 26 HB2 CYS 26 22.808 25.663 20.248 197 HB3 CYS 26 HB3 CYS 26 22.444 24.563 21.569 198 H LYS 27 H LYS 27 25.670 22.849 19.830 199 HA LYS 27 HA LYS 27 25.244 20.258 21.300 200 HB2 LYS 27 HB2 LYS 27 25.481 20.144 18.705 201 HB3 LYS 27 HB3 LYS 27 27.124 20.716 18.946 202 HG2 LYS 27 HG2 LYS 27 27.420 18.416 18.810 203 HG3 LYS 27 HG3 LYS 27 27.392 18.669 20.544 204 HD2 LYS 27 HD2 LYS 27 25.826 17.039 20.609 205 HD3 LYS 27 HD3 LYS 27 24.687 18.237 19.985 206 HE2 LYS 27 HE2 LYS 27 25.450 17.518 17.627 207 HE3 LYS 27 HE3 LYS 27 26.347 16.215 18.414 208 HZ1 LYS 27 HZ1 LYS 27 24.222 15.376 17.774 209 HZ2 LYS 27 HZ2 LYS 27 24.125 15.575 19.434 210 HZ3 LYS 27 HZ3 LYS 27 23.413 16.633 18.430 211 H CYS 28 H CYS 28 26.959 19.614 22.699 212 HA CYS 28 HA CYS 28 28.911 21.744 23.368 213 HB2 CYS 28 HB2 CYS 28 28.567 19.086 24.758 214 HB3 CYS 28 HB3 CYS 28 29.380 20.528 25.337 215 H VAL 29 H VAL 29 31.168 21.517 23.087 216 HA VAL 29 HA VAL 29 32.124 18.959 21.861 217 HB VAL 29 HB VAL 29 33.502 20.175 20.261 218 HG11 VAL 29 HG11 VAL 29 30.526 20.700 19.900 219 HG12 VAL 29 HG12 VAL 29 31.748 20.552 18.623 220 HG13 VAL 29 HG13 VAL 29 31.338 19.145 19.615 221 HG21 VAL 29 HG21 VAL 29 31.826 22.619 20.963 222 HG22 VAL 29 HG22 VAL 29 33.581 22.434 21.204 223 HG23 VAL 29 HG23 VAL 29 32.920 22.465 19.571 224 H TYR 30 H TYR 30 33.790 18.119 22.697 225 HA TYR 30 HA TYR 30 35.078 18.919 25.003 226 HB2 TYR 30 HB2 TYR 30 35.999 16.961 22.877 227 HB3 TYR 30 HB3 TYR 30 36.647 17.064 24.505 228 HD1 TYR 30 HD1 TYR 30 33.806 15.905 22.462 229 HD2 TYR 30 HD2 TYR 30 35.301 16.415 26.475 230 HE1 TYR 30 HE1 TYR 30 31.970 14.463 23.337 231 HE2 TYR 30 HE2 TYR 30 33.465 14.962 27.341 232 HH TYR 30 HH TYR 30 31.883 13.361 26.682
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