NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
582074 | 2ru0 | 11537 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 1.811 -0.001 0.854 2 HA2 GLY 1 2HA GLY 1 3.125 0.088 -1.027 3 HA3 GLY 1 3HA GLY 1 1.897 -0.935 -1.758 4 H PHE 2 H PHE 2 2.526 2.472 -0.944 5 HA PHE 2 HA PHE 2 1.062 3.221 -3.388 6 HB2 PHE 2 2HB PHE 2 1.498 4.762 -0.825 7 HB3 PHE 2 3HB PHE 2 0.805 5.466 -2.283 8 HD1 PHE 2 HD2 PHE 2 0.264 3.131 0.482 9 HD2 PHE 2 HD1 PHE 2 -1.430 4.925 -2.986 10 HE1 PHE 2 HE2 PHE 2 -1.966 2.354 1.173 11 HE2 PHE 2 HE1 PHE 2 -3.663 4.151 -2.300 12 HZ PHE 2 HZ PHE 2 -3.933 2.863 -0.218 13 H GLY 3 H GLY 3 3.638 2.396 -3.730 14 HA2 GLY 3 2HA GLY 3 4.835 4.353 -5.216 15 HA3 GLY 3 3HA GLY 3 5.492 4.585 -3.602 16 H CYS 4 H CYS 4 6.673 3.660 -6.221 17 HA CYS 4 HA CYS 4 8.561 1.877 -5.207 18 HB2 CYS 4 2HB CYS 4 6.115 0.601 -5.992 19 HB3 CYS 4 3HB CYS 4 7.400 0.105 -7.089 20 HA PRO 5 HA PRO 5 9.041 2.052 -10.006 21 HB2 PRO 5 2HB PRO 5 7.014 3.158 -11.432 22 HB3 PRO 5 3HB PRO 5 7.085 1.436 -11.040 23 HG2 PRO 5 2HG PRO 5 5.536 3.621 -9.702 24 HG3 PRO 5 3HG PRO 5 5.019 1.977 -10.119 25 HD2 PRO 5 2HD PRO 5 5.772 2.676 -7.614 26 HD3 PRO 5 3HD PRO 5 6.046 1.051 -8.275 27 H TRP 6 H TRP 6 6.996 4.739 -8.867 28 HA TRP 6 HA TRP 6 9.106 6.595 -9.755 29 HB2 TRP 6 2HB TRP 6 6.912 8.186 -9.705 30 HB3 TRP 6 3HB TRP 6 7.485 7.352 -11.147 31 HD1 TRP 6 HD1 TRP 6 5.969 5.459 -12.143 32 HE1 TRP 6 HE1 TRP 6 3.603 4.606 -11.593 33 HE3 TRP 6 HE3 TRP 6 5.283 7.809 -7.654 34 HZ2 TRP 6 HZ2 TRP 6 1.698 4.893 -9.529 35 HZ3 TRP 6 HZ3 TRP 6 3.161 7.468 -6.457 36 HH2 TRP 6 HH2 TRP 6 1.407 6.040 -7.377 37 H ASN 7 H ASN 7 6.695 5.814 -7.325 38 HA ASN 7 HA ASN 7 7.545 8.018 -5.625 39 HB2 ASN 7 2HB ASN 7 5.231 6.231 -5.767 40 HB3 ASN 7 3HB ASN 7 5.810 6.486 -4.123 41 HD21 ASN 7 1HD2 ASN 7 3.795 7.558 -3.755 42 HD22 ASN 7 2HD2 ASN 7 3.590 9.204 -4.238 43 H ALA 8 H ALA 8 9.729 7.272 -5.332 44 HA ALA 8 HA ALA 8 10.176 4.780 -3.935 45 HB1 ALA 8 1HB ALA 8 12.231 6.926 -4.350 46 HB2 ALA 8 2HB ALA 8 12.464 5.184 -4.199 47 HB3 ALA 8 3HB ALA 8 11.734 5.853 -5.659 48 H TYR 9 H TYR 9 9.835 8.156 -3.160 49 HA TYR 9 HA TYR 9 11.067 8.212 -0.648 50 HB2 TYR 9 2HB TYR 9 9.360 9.931 -2.202 51 HB3 TYR 9 3HB TYR 9 8.829 9.926 -0.524 52 HD1 TYR 9 HD2 TYR 9 12.220 9.769 -2.091 53 HD2 TYR 9 HD1 TYR 9 9.571 11.857 0.504 54 HE1 TYR 9 HE2 TYR 9 14.024 11.340 -1.522 55 HE2 TYR 9 HE1 TYR 9 11.368 13.434 1.079 56 HH TYR 9 HH TYR 9 14.636 12.882 0.240 57 H GLU 10 H GLU 10 7.987 6.959 -1.672 58 HA GLU 10 HA GLU 10 6.779 6.826 0.899 59 HB2 GLU 10 2HB GLU 10 5.857 6.511 -1.628 60 HB3 GLU 10 3HB GLU 10 5.977 4.830 -1.127 61 HG2 GLU 10 2HG GLU 10 3.758 5.673 -0.705 62 HG3 GLU 10 3HG GLU 10 4.572 5.314 0.817 63 H CYS 11 H CYS 11 8.077 4.223 -1.171 64 HA CYS 11 HA CYS 11 8.034 2.257 0.845 65 HB2 CYS 11 2HB CYS 11 8.276 2.041 -1.751 66 HB3 CYS 11 3HB CYS 11 10.000 2.166 -1.419 67 H ASP 12 H ASP 12 10.375 4.688 -0.023 68 HA ASP 12 HA ASP 12 12.565 3.562 1.415 69 HB2 ASP 12 2HB ASP 12 13.075 5.107 -0.334 70 HB3 ASP 12 3HB ASP 12 12.022 6.338 0.360 71 H ARG 13 H ARG 13 10.634 6.488 2.091 72 HA ARG 13 HA ARG 13 11.541 6.867 4.698 73 HB2 ARG 13 2HB ARG 13 8.907 7.625 3.427 74 HB3 ARG 13 3HB ARG 13 9.432 8.192 5.006 75 HG2 ARG 13 2HG ARG 13 11.507 8.689 3.119 76 HG3 ARG 13 3HG ARG 13 9.983 9.303 2.476 77 HD2 ARG 13 2HD ARG 13 10.696 9.868 5.316 78 HD3 ARG 13 3HD ARG 13 11.487 10.787 4.035 79 HE ARG 13 HE ARG 13 8.766 10.863 3.516 80 HH11 ARG 13 1HH1 ARG 13 10.946 11.913 6.019 81 HH12 ARG 13 2HH1 ARG 13 9.969 13.266 6.483 82 HH21 ARG 13 1HH2 ARG 13 7.470 12.641 4.119 83 HH22 ARG 13 2HH2 ARG 13 7.991 13.678 5.402 84 H HIS 14 H HIS 14 9.264 4.607 3.430 85 HA HIS 14 HA HIS 14 7.698 4.074 5.677 86 HB2 HIS 14 2HB HIS 14 7.121 3.151 3.519 87 HB3 HIS 14 3HB HIS 14 8.618 2.226 3.468 88 HD1 HIS 14 HD1 HIS 14 5.205 2.236 4.977 89 HD2 HIS 14 HD2 HIS 14 8.624 -0.125 5.000 90 HE1 HIS 14 HE1 HIS 14 4.512 0.059 6.030 91 H CYS 15 H CYS 15 10.837 2.751 4.709 92 HA CYS 15 HA CYS 15 10.985 1.161 7.144 93 HB2 CYS 15 2HB CYS 15 12.970 1.459 4.879 94 HB3 CYS 15 3HB CYS 15 13.088 0.305 6.203 95 H VAL 16 H VAL 16 12.431 4.019 5.702 96 HA VAL 16 HA VAL 16 14.598 4.444 7.353 97 HB VAL 16 HB VAL 16 12.712 6.547 6.280 98 HG11 VAL 16 1HG1 VAL 16 14.712 8.023 6.429 99 HG12 VAL 16 2HG1 VAL 16 14.090 7.501 7.996 100 HG13 VAL 16 3HG1 VAL 16 15.533 6.744 7.323 101 HG21 VAL 16 3HG2 VAL 16 15.149 6.381 4.834 102 HG22 VAL 16 1HG2 VAL 16 14.473 4.756 4.952 103 HG23 VAL 16 2HG2 VAL 16 13.510 6.065 4.264 104 H SER 17 H SER 17 11.202 4.843 8.043 105 HA SER 17 HA SER 17 11.564 6.374 10.433 106 HB2 SER 17 2HB SER 17 9.462 6.420 9.114 107 HB3 SER 17 3HB SER 17 9.168 4.739 9.560 108 HG SER 17 HG SER 17 8.186 5.615 11.204 109 H LYS 18 H LYS 18 11.238 2.962 9.663 110 HA LYS 18 HA LYS 18 10.961 2.076 12.357 111 HB2 LYS 18 2HB LYS 18 11.514 0.761 9.729 112 HB3 LYS 18 3HB LYS 18 11.797 -0.146 11.209 113 HG2 LYS 18 2HG LYS 18 9.653 -0.745 10.954 114 HG3 LYS 18 3HG LYS 18 9.324 0.823 11.694 115 HD2 LYS 18 2HD LYS 18 8.329 1.546 9.840 116 HD3 LYS 18 3HD LYS 18 9.743 1.132 8.868 117 HE2 LYS 18 2HE LYS 18 8.264 -0.277 7.887 118 HE3 LYS 18 3HE LYS 18 8.742 -1.320 9.226 119 HZ1 LYS 18 3HZ LYS 18 6.381 -1.308 9.099 120 HZ2 LYS 18 1HZ LYS 18 6.318 0.382 9.061 121 HZ3 LYS 18 2HZ LYS 18 6.810 -0.414 10.469 122 H GLY 19 H GLY 19 13.685 2.584 10.187 123 HA2 GLY 19 2HA GLY 19 15.668 3.265 11.750 124 HA3 GLY 19 3HA GLY 19 15.535 1.579 12.229 125 H TYR 20 H TYR 20 14.911 0.518 9.664 126 HA TYR 20 HA TYR 20 17.422 -0.059 8.672 127 HB2 TYR 20 2HB TYR 20 14.847 -0.057 7.086 128 HB3 TYR 20 3HB TYR 20 16.302 -0.975 6.714 129 HD1 TYR 20 HD2 TYR 20 17.093 -2.640 8.569 130 HD2 TYR 20 HD1 TYR 20 13.150 -1.063 8.305 131 HE1 TYR 20 HE2 TYR 20 16.257 -4.519 9.919 132 HE2 TYR 20 HE1 TYR 20 12.304 -2.936 9.655 133 HH TYR 20 HH TYR 20 12.856 -4.710 10.895 134 H THR 21 H THR 21 18.340 0.457 6.536 135 HA THR 21 HA THR 21 18.857 3.169 6.229 136 HB THR 21 HB THR 21 20.277 1.331 5.318 137 HG1 THR 21 HG1 THR 21 19.636 3.039 3.169 138 HG21 THR 21 3HG2 THR 21 19.752 0.309 3.210 139 HG22 THR 21 1HG2 THR 21 18.294 1.286 3.043 140 HG23 THR 21 2HG2 THR 21 18.389 0.050 4.298 141 H GLY 22 H GLY 22 16.333 1.186 4.839 142 HA2 GLY 22 2HA GLY 22 14.376 2.849 4.356 143 HA3 GLY 22 3HA GLY 22 15.482 3.390 3.101 144 H GLY 23 H GLY 23 12.816 2.222 2.832 145 HA2 GLY 23 2HA GLY 23 13.306 -0.428 1.722 146 HA3 GLY 23 3HA GLY 23 11.747 0.369 1.869 147 H ASN 24 H ASN 24 13.994 -0.677 -0.289 148 HA ASN 24 HA ASN 24 13.134 1.286 -2.313 149 HB2 ASN 24 2HB ASN 24 15.636 -0.324 -2.653 150 HB3 ASN 24 3HB ASN 24 15.223 1.252 -3.323 151 HD21 ASN 24 1HD2 ASN 24 14.494 2.666 -1.135 152 HD22 ASN 24 2HD2 ASN 24 15.833 2.830 -0.055 153 H CYS 25 H CYS 25 12.642 0.510 -4.393 154 HA CYS 25 HA CYS 25 11.895 -2.330 -4.435 155 HB2 CYS 25 2HB CYS 25 10.909 -0.021 -6.123 156 HB3 CYS 25 3HB CYS 25 10.357 -1.687 -6.267 157 H ARG 26 H ARG 26 12.342 -3.628 -6.245 158 HA ARG 26 HA ARG 26 14.054 -2.578 -8.341 159 HB2 ARG 26 2HB ARG 26 14.975 -4.689 -6.388 160 HB3 ARG 26 3HB ARG 26 15.744 -4.409 -7.945 161 HG2 ARG 26 2HG ARG 26 15.459 -2.322 -5.795 162 HG3 ARG 26 3HG ARG 26 16.893 -3.322 -6.038 163 HD2 ARG 26 2HD ARG 26 16.666 -2.405 -8.509 164 HD3 ARG 26 3HD ARG 26 15.819 -1.094 -7.689 165 HE ARG 26 HE ARG 26 18.639 -1.658 -7.609 166 HH11 ARG 26 1HH1 ARG 26 15.970 -0.129 -5.979 167 HH12 ARG 26 2HH1 ARG 26 16.970 0.990 -5.114 168 HH21 ARG 26 1HH2 ARG 26 19.966 -0.190 -6.476 169 HH22 ARG 26 2HH2 ARG 26 19.243 0.955 -5.398 170 H GLY 27 H GLY 27 14.765 -4.594 -9.772 171 HA2 GLY 27 2HA GLY 27 12.256 -5.943 -10.425 172 HA3 GLY 27 3HA GLY 27 13.675 -5.831 -11.456 173 H LYS 28 H LYS 28 13.574 -6.895 -8.090 174 HA LYS 28 HA LYS 28 15.242 -9.071 -8.402 175 HB2 LYS 28 2HB LYS 28 14.075 -9.956 -6.305 176 HB3 LYS 28 3HB LYS 28 14.822 -8.368 -6.198 177 HG2 LYS 28 2HG LYS 28 12.018 -8.308 -7.022 178 HG3 LYS 28 3HG LYS 28 12.288 -8.973 -5.409 179 HD2 LYS 28 2HD LYS 28 13.740 -6.485 -6.107 180 HD3 LYS 28 3HD LYS 28 11.996 -6.357 -5.864 181 HE2 LYS 28 2HE LYS 28 12.561 -6.114 -3.701 182 HE3 LYS 28 3HE LYS 28 12.695 -7.871 -3.733 183 HZ1 LYS 28 3HZ LYS 28 14.709 -7.312 -2.861 184 HZ2 LYS 28 1HZ LYS 28 14.811 -5.846 -3.699 185 HZ3 LYS 28 2HZ LYS 28 15.116 -7.303 -4.503 186 H ILE 29 H ILE 29 11.826 -8.808 -9.048 187 HA ILE 29 HA ILE 29 11.877 -11.368 -10.402 188 HB ILE 29 HB ILE 29 9.714 -12.058 -9.233 189 HG12 ILE 29 2HG1 ILE 29 10.772 -10.091 -7.192 190 HG13 ILE 29 3HG1 ILE 29 9.266 -9.942 -8.091 191 HG21 ILE 29 1HG2 ILE 29 12.055 -12.137 -7.371 192 HG22 ILE 29 2HG2 ILE 29 10.878 -13.396 -7.738 193 HG23 ILE 29 3HG2 ILE 29 12.112 -12.971 -8.924 194 HD11 ILE 29 3HD1 ILE 29 9.946 -11.700 -5.801 195 HD12 ILE 29 1HD1 ILE 29 8.491 -10.754 -6.112 196 HD13 ILE 29 2HD1 ILE 29 8.762 -12.267 -6.978 197 H ARG 30 H ARG 30 9.983 -8.564 -9.371 198 HA ARG 30 HA ARG 30 9.154 -7.905 -11.969 199 HB2 ARG 30 2HB ARG 30 6.687 -8.395 -11.654 200 HB3 ARG 30 3HB ARG 30 7.714 -9.786 -11.976 201 HG2 ARG 30 2HG ARG 30 7.522 -10.594 -9.819 202 HG3 ARG 30 3HG ARG 30 7.065 -9.021 -9.163 203 HD2 ARG 30 2HD ARG 30 4.889 -9.166 -10.081 204 HD3 ARG 30 3HD ARG 30 5.332 -10.539 -11.094 205 HE ARG 30 HE ARG 30 4.911 -11.921 -9.325 206 HH11 ARG 30 1HH1 ARG 30 5.306 -8.670 -8.145 207 HH12 ARG 30 2HH1 ARG 30 4.846 -9.064 -6.521 208 HH21 ARG 30 1HH2 ARG 30 4.304 -12.453 -7.192 209 HH22 ARG 30 2HH2 ARG 30 4.278 -11.217 -5.980 210 H GLN 31 H GLN 31 10.227 -6.259 -10.294 211 HA GLN 31 HA GLN 31 10.013 -4.237 -9.275 212 HB2 GLN 31 2HB GLN 31 7.092 -4.325 -10.018 213 HB3 GLN 31 3HB GLN 31 8.090 -2.905 -9.737 214 HG2 GLN 31 2HG GLN 31 8.361 -2.802 -11.932 215 HG3 GLN 31 3HG GLN 31 9.387 -4.228 -11.785 216 HE21 GLN 31 1HE2 GLN 31 5.887 -3.650 -11.646 217 HE22 GLN 31 2HE2 GLN 31 5.471 -4.839 -12.828 218 H THR 32 H THR 32 10.380 -5.446 -7.284 219 HA THR 32 HA THR 32 8.015 -5.380 -5.526 220 HB THR 32 HB THR 32 10.332 -7.304 -5.267 221 HG1 THR 32 HG1 THR 32 9.203 -8.066 -6.976 222 HG21 THR 32 3HG2 THR 32 7.835 -6.796 -3.707 223 HG22 THR 32 1HG2 THR 32 9.469 -7.127 -3.132 224 HG23 THR 32 2HG2 THR 32 8.485 -8.433 -3.793 225 H CYS 33 H CYS 33 8.341 -4.711 -3.380 226 HA CYS 33 HA CYS 33 10.551 -2.866 -3.059 227 HB2 CYS 33 2HB CYS 33 7.888 -3.027 -2.106 228 HB3 CYS 33 3HB CYS 33 8.940 -3.091 -0.696 229 H HIS 34 H HIS 34 11.951 -2.851 -1.220 230 HA HIS 34 HA HIS 34 12.091 -5.139 0.512 231 HB2 HIS 34 2HB HIS 34 13.153 -5.905 -1.663 232 HB3 HIS 34 3HB HIS 34 14.417 -4.714 -1.366 233 HD1 HIS 34 HD1 HIS 34 16.303 -6.362 -0.990 234 HD2 HIS 34 HD2 HIS 34 13.038 -7.029 1.490 235 HE1 HIS 34 HE1 HIS 34 17.078 -8.055 0.701 236 H CYS 35 H CYS 35 13.040 -4.607 2.392 237 HA CYS 35 HA CYS 35 14.274 -1.956 2.569 238 HB2 CYS 35 2HB CYS 35 13.023 -3.780 4.618 239 HB3 CYS 35 3HB CYS 35 13.964 -2.364 5.076 240 H TYR 36 H TYR 36 16.360 -1.663 3.080 241 HA TYR 36 HA TYR 36 17.954 -4.064 3.687 242 HB2 TYR 36 2HB TYR 36 19.003 -1.494 2.505 243 HB3 TYR 36 3HB TYR 36 19.804 -3.059 2.569 244 HD1 TYR 36 HD2 TYR 36 17.121 -1.129 0.935 245 HD2 TYR 36 HD1 TYR 36 19.383 -4.732 0.917 246 HE1 TYR 36 HE2 TYR 36 16.239 -1.664 -1.297 247 HE2 TYR 36 HE1 TYR 36 18.509 -5.277 -1.316 248 HH TYR 36 HH TYR 36 17.535 -3.725 -3.339 Start of MODEL 2 1 H1 GLY 1 H GLY 1 1.121 -0.827 -6.588 2 HA2 GLY 1 2HA GLY 1 0.557 -0.286 -4.024 3 HA3 GLY 1 3HA GLY 1 2.216 -0.328 -4.602 4 H PHE 2 H PHE 2 1.350 1.237 -2.432 5 HA PHE 2 HA PHE 2 0.676 3.862 -2.950 6 HB2 PHE 2 2HB PHE 2 2.059 4.371 -0.853 7 HB3 PHE 2 3HB PHE 2 0.747 3.209 -0.686 8 HD1 PHE 2 HD1 PHE 2 4.410 3.538 -1.051 9 HD2 PHE 2 HD2 PHE 2 1.160 0.999 0.000 10 HE1 PHE 2 HE1 PHE 2 5.996 1.888 -0.149 11 HE2 PHE 2 HE2 PHE 2 2.740 -0.655 0.904 12 HZ PHE 2 HZ PHE 2 5.162 -0.212 0.831 13 H GLY 3 H GLY 3 3.725 2.235 -3.427 14 HA2 GLY 3 2HA GLY 3 4.713 4.169 -5.203 15 HA3 GLY 3 3HA GLY 3 5.412 4.478 -3.620 16 H CYS 4 H CYS 4 6.591 3.542 -6.208 17 HA CYS 4 HA CYS 4 8.532 1.821 -5.188 18 HB2 CYS 4 2HB CYS 4 6.114 0.478 -6.007 19 HB3 CYS 4 3HB CYS 4 7.459 -0.019 -7.028 20 HA PRO 5 HA PRO 5 8.987 1.968 -9.989 21 HB2 PRO 5 2HB PRO 5 6.923 3.004 -11.416 22 HB3 PRO 5 3HB PRO 5 7.044 1.288 -11.010 23 HG2 PRO 5 2HG PRO 5 5.440 3.440 -9.684 24 HG3 PRO 5 3HG PRO 5 4.968 1.778 -10.084 25 HD2 PRO 5 2HD PRO 5 5.711 2.520 -7.589 26 HD3 PRO 5 3HD PRO 5 6.028 0.898 -8.237 27 H TRP 6 H TRP 6 6.882 4.605 -8.844 28 HA TRP 6 HA TRP 6 8.933 6.513 -9.759 29 HB2 TRP 6 2HB TRP 6 6.693 8.040 -9.724 30 HB3 TRP 6 3HB TRP 6 7.296 7.215 -11.159 31 HD1 TRP 6 HD1 TRP 6 5.842 5.267 -12.145 32 HE1 TRP 6 HE1 TRP 6 3.501 4.349 -11.598 33 HE3 TRP 6 HE3 TRP 6 5.066 7.631 -7.679 34 HZ2 TRP 6 HZ2 TRP 6 1.579 4.594 -9.546 35 HZ3 TRP 6 HZ3 TRP 6 2.950 7.236 -6.488 36 HH2 TRP 6 HH2 TRP 6 1.243 5.749 -7.404 37 H ASN 7 H ASN 7 6.530 5.696 -7.329 38 HA ASN 7 HA ASN 7 7.326 7.932 -5.645 39 HB2 ASN 7 2HB ASN 7 5.055 6.081 -5.771 40 HB3 ASN 7 3HB ASN 7 5.617 6.394 -4.131 41 HD21 ASN 7 1HD2 ASN 7 3.552 7.409 -3.828 42 HD22 ASN 7 2HD2 ASN 7 3.313 9.040 -4.345 43 H ALA 8 H ALA 8 9.529 7.216 -5.357 44 HA ALA 8 HA ALA 8 10.000 4.759 -3.902 45 HB1 ALA 8 1HB ALA 8 11.812 5.045 -5.218 46 HB2 ALA 8 2HB ALA 8 11.665 6.803 -5.227 47 HB3 ALA 8 3HB ALA 8 12.388 5.987 -3.841 48 H TYR 9 H TYR 9 9.525 8.110 -3.204 49 HA TYR 9 HA TYR 9 10.828 8.263 -0.712 50 HB2 TYR 9 2HB TYR 9 9.297 9.980 -2.332 51 HB3 TYR 9 3HB TYR 9 8.464 9.916 -0.783 52 HD1 TYR 9 HD1 TYR 9 12.026 10.081 -1.929 53 HD2 TYR 9 HD2 TYR 9 9.014 11.629 0.647 54 HE1 TYR 9 HE1 TYR 9 13.650 11.676 -0.998 55 HE2 TYR 9 HE2 TYR 9 10.629 13.229 1.584 56 HH TYR 9 HH TYR 9 12.742 13.913 1.607 57 H GLU 10 H GLU 10 7.602 7.210 -1.645 58 HA GLU 10 HA GLU 10 6.526 7.038 0.965 59 HB2 GLU 10 2HB GLU 10 5.292 7.007 -1.290 60 HB3 GLU 10 3HB GLU 10 5.685 5.294 -1.340 61 HG2 GLU 10 2HG GLU 10 3.419 5.786 -0.475 62 HG3 GLU 10 3HG GLU 10 4.430 4.873 0.644 63 H CYS 11 H CYS 11 7.881 4.543 -1.187 64 HA CYS 11 HA CYS 11 7.707 2.453 0.717 65 HB2 CYS 11 2HB CYS 11 8.069 2.421 -1.902 66 HB3 CYS 11 3HB CYS 11 9.769 2.403 -1.446 67 H ASP 12 H ASP 12 10.136 4.861 -0.002 68 HA ASP 12 HA ASP 12 12.228 3.633 1.507 69 HB2 ASP 12 2HB ASP 12 12.829 5.174 -0.239 70 HB3 ASP 12 3HB ASP 12 11.855 6.452 0.485 71 H ARG 13 H ARG 13 10.339 6.602 2.114 72 HA ARG 13 HA ARG 13 11.165 7.062 4.707 73 HB2 ARG 13 2HB ARG 13 8.592 7.670 3.276 74 HB3 ARG 13 3HB ARG 13 8.819 8.124 4.960 75 HG2 ARG 13 2HG ARG 13 10.964 8.916 3.097 76 HG3 ARG 13 3HG ARG 13 9.409 9.728 2.901 77 HD2 ARG 13 2HD ARG 13 9.525 10.075 5.455 78 HD3 ARG 13 3HD ARG 13 11.238 9.695 5.276 79 HE ARG 13 HE ARG 13 10.435 11.702 3.434 80 HH11 ARG 13 1HH1 ARG 13 11.216 11.170 6.785 81 HH12 ARG 13 2HH1 ARG 13 11.735 12.801 7.057 82 HH21 ARG 13 1HH2 ARG 13 11.116 13.851 3.780 83 HH22 ARG 13 2HH2 ARG 13 11.677 14.325 5.348 84 H HIS 14 H HIS 14 8.864 4.737 3.507 85 HA HIS 14 HA HIS 14 7.464 4.136 5.839 86 HB2 HIS 14 2HB HIS 14 6.753 3.232 3.720 87 HB3 HIS 14 3HB HIS 14 8.267 2.351 3.535 88 HD1 HIS 14 HD1 HIS 14 4.965 2.214 5.257 89 HD2 HIS 14 HD2 HIS 14 8.463 -0.018 5.043 90 HE1 HIS 14 HE1 HIS 14 4.415 0.000 6.314 91 H CYS 15 H CYS 15 10.574 2.923 4.672 92 HA CYS 15 HA CYS 15 10.894 1.265 7.044 93 HB2 CYS 15 2HB CYS 15 11.781 1.046 4.417 94 HB3 CYS 15 3HB CYS 15 13.229 1.480 5.319 95 H VAL 16 H VAL 16 12.022 4.284 5.715 96 HA VAL 16 HA VAL 16 14.314 4.719 7.226 97 HB VAL 16 HB VAL 16 12.270 6.763 6.346 98 HG11 VAL 16 1HG1 VAL 16 13.494 8.067 7.730 99 HG12 VAL 16 2HG1 VAL 16 14.886 6.982 7.698 100 HG13 VAL 16 3HG1 VAL 16 14.601 8.093 6.358 101 HG21 VAL 16 3HG2 VAL 16 14.171 5.167 4.894 102 HG22 VAL 16 1HG2 VAL 16 12.966 6.302 4.286 103 HG23 VAL 16 2HG2 VAL 16 14.567 6.879 4.749 104 H SER 17 H SER 17 10.984 4.766 8.169 105 HA SER 17 HA SER 17 11.437 6.235 10.612 106 HB2 SER 17 2HB SER 17 9.274 6.503 9.643 107 HB3 SER 17 3HB SER 17 9.046 4.760 9.501 108 HG SER 17 HG SER 17 7.960 5.826 11.315 109 H LYS 18 H LYS 18 11.023 2.875 9.639 110 HA LYS 18 HA LYS 18 10.783 1.705 12.162 111 HB2 LYS 18 2HB LYS 18 11.640 0.780 9.471 112 HB3 LYS 18 3HB LYS 18 12.075 -0.236 10.839 113 HG2 LYS 18 2HG LYS 18 10.062 -1.145 10.284 114 HG3 LYS 18 3HG LYS 18 9.539 0.067 11.456 115 HD2 LYS 18 2HD LYS 18 8.526 1.342 9.882 116 HD3 LYS 18 3HD LYS 18 9.734 0.969 8.650 117 HE2 LYS 18 2HE LYS 18 8.122 -0.295 7.739 118 HE3 LYS 18 3HE LYS 18 8.530 -1.452 9.004 119 HZ1 LYS 18 3HZ LYS 18 6.102 -0.143 8.594 120 HZ2 LYS 18 1HZ LYS 18 6.738 0.437 10.050 121 HZ3 LYS 18 2HZ LYS 18 6.505 -1.224 9.831 122 H GLY 19 H GLY 19 13.675 2.520 10.279 123 HA2 GLY 19 2HA GLY 19 15.414 3.344 12.066 124 HA3 GLY 19 3HA GLY 19 15.376 1.640 12.494 125 H TYR 20 H TYR 20 14.897 1.090 9.520 126 HA TYR 20 HA TYR 20 17.652 0.658 8.877 127 HB2 TYR 20 2HB TYR 20 15.271 0.311 7.050 128 HB3 TYR 20 3HB TYR 20 16.845 -0.464 6.912 129 HD1 TYR 20 HD2 TYR 20 17.476 -2.278 8.448 130 HD2 TYR 20 HD1 TYR 20 13.603 -0.520 8.570 131 HE1 TYR 20 HE2 TYR 20 16.657 -4.187 9.766 132 HE2 TYR 20 HE1 TYR 20 12.774 -2.423 9.889 133 HH TYR 20 HH TYR 20 14.183 -4.246 11.574 134 H THR 21 H THR 21 18.322 1.177 6.498 135 HA THR 21 HA THR 21 18.609 3.976 6.308 136 HB THR 21 HB THR 21 20.234 2.322 5.382 137 HG1 THR 21 HG1 THR 21 20.866 3.780 3.926 138 HG21 THR 21 3HG2 THR 21 18.407 2.115 3.004 139 HG22 THR 21 1HG2 THR 21 18.367 0.931 4.310 140 HG23 THR 21 2HG2 THR 21 19.844 1.163 3.375 141 H GLY 22 H GLY 22 16.335 1.727 4.896 142 HA2 GLY 22 2HA GLY 22 14.218 3.225 4.421 143 HA3 GLY 22 3HA GLY 22 15.260 3.789 3.123 144 H GLY 23 H GLY 23 12.689 2.409 2.955 145 HA2 GLY 23 2HA GLY 23 13.403 -0.227 1.913 146 HA3 GLY 23 3HA GLY 23 11.775 0.396 2.136 147 H ASN 24 H ASN 24 14.031 -0.425 -0.125 148 HA ASN 24 HA ASN 24 12.885 1.410 -2.125 149 HB2 ASN 24 2HB ASN 24 15.429 -0.094 -2.612 150 HB3 ASN 24 3HB ASN 24 14.899 1.448 -3.279 151 HD21 ASN 24 1HD2 ASN 24 14.257 2.872 -1.070 152 HD22 ASN 24 2HD2 ASN 24 15.658 3.120 -0.090 153 H CYS 25 H CYS 25 12.454 0.547 -4.236 154 HA CYS 25 HA CYS 25 11.738 -2.303 -4.140 155 HB2 CYS 25 2HB CYS 25 10.652 -0.092 -5.898 156 HB3 CYS 25 3HB CYS 25 10.121 -1.770 -5.927 157 H ARG 26 H ARG 26 12.168 -3.656 -5.911 158 HA ARG 26 HA ARG 26 13.804 -2.638 -8.086 159 HB2 ARG 26 2HB ARG 26 14.797 -4.729 -6.143 160 HB3 ARG 26 3HB ARG 26 15.547 -4.390 -7.697 161 HG2 ARG 26 2HG ARG 26 15.213 -2.362 -5.499 162 HG3 ARG 26 3HG ARG 26 16.675 -3.312 -5.773 163 HD2 ARG 26 2HD ARG 26 16.040 -2.218 -8.258 164 HD3 ARG 26 3HD ARG 26 15.755 -0.919 -7.101 165 HE ARG 26 HE ARG 26 18.013 -0.783 -6.751 166 HH11 ARG 26 1HH1 ARG 26 17.285 -3.782 -8.363 167 HH12 ARG 26 2HH1 ARG 26 18.946 -4.186 -8.642 168 HH21 ARG 26 1HH2 ARG 26 20.204 -1.304 -7.111 169 HH22 ARG 26 2HH2 ARG 26 20.606 -2.777 -7.928 170 H GLY 27 H GLY 27 14.494 -4.668 -9.495 171 HA2 GLY 27 2HA GLY 27 11.989 -6.069 -10.040 172 HA3 GLY 27 3HA GLY 27 13.374 -5.958 -11.116 173 H LYS 28 H LYS 28 13.384 -6.953 -7.727 174 HA LYS 28 HA LYS 28 15.079 -9.108 -8.042 175 HB2 LYS 28 2HB LYS 28 13.985 -9.969 -5.896 176 HB3 LYS 28 3HB LYS 28 14.707 -8.366 -5.841 177 HG2 LYS 28 2HG LYS 28 11.881 -8.371 -6.589 178 HG3 LYS 28 3HG LYS 28 12.206 -8.997 -4.971 179 HD2 LYS 28 2HD LYS 28 13.605 -6.505 -5.748 180 HD3 LYS 28 3HD LYS 28 11.863 -6.392 -5.484 181 HE2 LYS 28 2HE LYS 28 13.201 -5.919 -3.452 182 HE3 LYS 28 3HE LYS 28 12.090 -7.274 -3.259 183 HZ1 LYS 28 3HZ LYS 28 14.969 -7.575 -3.914 184 HZ2 LYS 28 1HZ LYS 28 13.880 -8.806 -3.512 185 HZ3 LYS 28 2HZ LYS 28 14.342 -7.672 -2.346 186 H ILE 29 H ILE 29 11.639 -8.915 -8.589 187 HA ILE 29 HA ILE 29 11.696 -11.497 -9.899 188 HB ILE 29 HB ILE 29 9.583 -12.205 -8.652 189 HG12 ILE 29 2HG1 ILE 29 10.670 -10.185 -6.679 190 HG13 ILE 29 3HG1 ILE 29 9.134 -10.078 -7.532 191 HG21 ILE 29 1HG2 ILE 29 10.820 -13.446 -7.086 192 HG22 ILE 29 2HG2 ILE 29 11.935 -13.144 -8.418 193 HG23 ILE 29 3HG2 ILE 29 12.050 -12.190 -6.939 194 HD11 ILE 29 3HD1 ILE 29 8.697 -10.798 -5.313 195 HD12 ILE 29 1HD1 ILE 29 8.442 -12.177 -6.381 196 HD13 ILE 29 2HD1 ILE 29 9.918 -12.066 -5.421 197 H ARG 30 H ARG 30 9.782 -8.712 -8.858 198 HA ARG 30 HA ARG 30 8.857 -8.125 -11.444 199 HB2 ARG 30 2HB ARG 30 7.526 -10.274 -10.667 200 HB3 ARG 30 3HB ARG 30 6.566 -9.090 -9.790 201 HG2 ARG 30 2HG ARG 30 5.991 -7.959 -11.822 202 HG3 ARG 30 3HG ARG 30 7.097 -8.975 -12.749 203 HD2 ARG 30 2HD ARG 30 5.177 -10.106 -13.175 204 HD3 ARG 30 3HD ARG 30 5.605 -10.892 -11.656 205 HE ARG 30 HE ARG 30 3.946 -8.558 -11.350 206 HH11 ARG 30 1HH1 ARG 30 4.006 -12.000 -11.867 207 HH12 ARG 30 2HH1 ARG 30 2.409 -12.253 -11.244 208 HH21 ARG 30 1HH2 ARG 30 1.843 -8.878 -10.528 209 HH22 ARG 30 2HH2 ARG 30 1.179 -10.476 -10.484 210 H GLN 31 H GLN 31 9.967 -6.414 -9.872 211 HA GLN 31 HA GLN 31 9.771 -4.378 -8.880 212 HB2 GLN 31 2HB GLN 31 7.219 -4.745 -10.304 213 HB3 GLN 31 3HB GLN 31 7.176 -3.561 -9.005 214 HG2 GLN 31 2HG GLN 31 8.441 -2.089 -10.126 215 HG3 GLN 31 3HG GLN 31 9.481 -3.340 -10.806 216 HE21 GLN 31 1HE2 GLN 31 7.691 -0.945 -11.762 217 HE22 GLN 31 2HE2 GLN 31 6.969 -1.583 -13.196 218 H THR 32 H THR 32 10.195 -5.512 -6.864 219 HA THR 32 HA THR 32 7.868 -5.432 -5.056 220 HB THR 32 HB THR 32 10.221 -7.315 -4.805 221 HG1 THR 32 HG1 THR 32 7.589 -7.695 -5.816 222 HG21 THR 32 3HG2 THR 32 8.351 -8.401 -3.264 223 HG22 THR 32 1HG2 THR 32 7.823 -6.723 -3.147 224 HG23 THR 32 2HG2 THR 32 9.456 -7.171 -2.654 225 H CYS 33 H CYS 33 8.225 -4.683 -2.946 226 HA CYS 33 HA CYS 33 10.425 -2.811 -2.723 227 HB2 CYS 33 2HB CYS 33 7.774 -2.967 -1.716 228 HB3 CYS 33 3HB CYS 33 8.861 -2.940 -0.331 229 H HIS 34 H HIS 34 11.821 -2.709 -0.869 230 HA HIS 34 HA HIS 34 12.006 -4.952 0.917 231 HB2 HIS 34 2HB HIS 34 13.089 -5.718 -1.265 232 HB3 HIS 34 3HB HIS 34 14.345 -4.528 -0.940 233 HD1 HIS 34 HD1 HIS 34 12.709 -7.349 1.039 234 HD2 HIS 34 HD2 HIS 34 16.439 -5.670 0.308 235 HE1 HIS 34 HE1 HIS 34 14.343 -8.746 2.345 236 H CYS 35 H CYS 35 13.310 -4.544 2.693 237 HA CYS 35 HA CYS 35 14.130 -1.755 2.978 238 HB2 CYS 35 2HB CYS 35 13.503 -3.965 4.909 239 HB3 CYS 35 3HB CYS 35 14.434 -2.567 5.439 240 H TYR 36 H TYR 36 16.192 -1.107 3.392 241 HA TYR 36 HA TYR 36 18.264 -3.204 3.375 242 HB2 TYR 36 2HB TYR 36 18.507 -0.423 2.212 243 HB3 TYR 36 3HB TYR 36 19.704 -1.710 2.122 244 HD1 TYR 36 HD2 TYR 36 16.341 -0.677 0.974 245 HD2 TYR 36 HD1 TYR 36 19.597 -3.360 0.427 246 HE1 TYR 36 HE2 TYR 36 15.346 -1.444 -1.141 247 HE2 TYR 36 HE1 TYR 36 18.612 -4.134 -1.690 248 HH TYR 36 HH TYR 36 16.812 -4.065 -3.017 Start of MODEL 3 1 H1 GLY 1 H GLY 1 0.595 -1.299 0.040 2 HA2 GLY 1 2HA GLY 1 2.766 -0.324 -1.386 3 HA3 GLY 1 3HA GLY 1 1.481 -1.302 -2.078 4 H PHE 2 H PHE 2 2.536 1.986 -1.411 5 HA PHE 2 HA PHE 2 0.829 2.893 -3.628 6 HB2 PHE 2 2HB PHE 2 1.346 4.454 -1.089 7 HB3 PHE 2 3HB PHE 2 0.343 4.961 -2.444 8 HD1 PHE 2 HD2 PHE 2 0.580 2.773 0.473 9 HD2 PHE 2 HD1 PHE 2 -1.856 4.026 -2.785 10 HE1 PHE 2 HE2 PHE 2 -1.374 1.721 1.534 11 HE2 PHE 2 HE1 PHE 2 -3.814 2.975 -1.729 12 HZ PHE 2 HZ PHE 2 -3.575 1.820 0.432 13 H GLY 3 H GLY 3 3.494 2.125 -3.900 14 HA2 GLY 3 2HA GLY 3 4.619 4.176 -5.341 15 HA3 GLY 3 3HA GLY 3 5.253 4.374 -3.715 16 H CYS 4 H CYS 4 6.489 3.580 -6.352 17 HA CYS 4 HA CYS 4 8.427 1.829 -5.380 18 HB2 CYS 4 2HB CYS 4 6.038 0.492 -6.196 19 HB3 CYS 4 3HB CYS 4 7.314 0.098 -7.343 20 HA PRO 5 HA PRO 5 8.944 2.184 -10.164 21 HB2 PRO 5 2HB PRO 5 6.892 3.269 -11.572 22 HB3 PRO 5 3HB PRO 5 7.018 1.538 -11.238 23 HG2 PRO 5 2HG PRO 5 5.385 3.622 -9.842 24 HG3 PRO 5 3HG PRO 5 4.928 1.976 -10.320 25 HD2 PRO 5 2HD PRO 5 5.634 2.614 -7.785 26 HD3 PRO 5 3HD PRO 5 5.969 1.023 -8.498 27 H TRP 6 H TRP 6 6.798 4.760 -8.954 28 HA TRP 6 HA TRP 6 8.851 6.716 -9.758 29 HB2 TRP 6 2HB TRP 6 6.604 8.228 -9.677 30 HB3 TRP 6 3HB TRP 6 7.219 7.464 -11.140 31 HD1 TRP 6 HD1 TRP 6 5.777 5.556 -12.216 32 HE1 TRP 6 HE1 TRP 6 3.437 4.606 -11.720 33 HE3 TRP 6 HE3 TRP 6 4.969 7.726 -7.657 34 HZ2 TRP 6 HZ2 TRP 6 1.504 4.756 -9.668 35 HZ3 TRP 6 HZ3 TRP 6 2.849 7.272 -6.495 36 HH2 TRP 6 HH2 TRP 6 1.154 5.818 -7.481 37 H ASN 7 H ASN 7 6.446 5.770 -7.381 38 HA ASN 7 HA ASN 7 7.204 7.943 -5.598 39 HB2 ASN 7 2HB ASN 7 4.954 6.083 -5.825 40 HB3 ASN 7 3HB ASN 7 5.508 6.302 -4.168 41 HD21 ASN 7 1HD2 ASN 7 3.411 7.270 -3.844 42 HD22 ASN 7 2HD2 ASN 7 3.170 8.932 -4.251 43 H ALA 8 H ALA 8 9.411 7.258 -5.312 44 HA ALA 8 HA ALA 8 9.892 4.747 -3.940 45 HB1 ALA 8 1HB ALA 8 12.187 5.172 -4.223 46 HB2 ALA 8 2HB ALA 8 11.422 5.757 -5.701 47 HB3 ALA 8 3HB ALA 8 11.923 6.900 -4.455 48 H TYR 9 H TYR 9 9.572 8.131 -3.192 49 HA TYR 9 HA TYR 9 10.860 8.231 -0.718 50 HB2 TYR 9 2HB TYR 9 9.172 9.928 -2.256 51 HB3 TYR 9 3HB TYR 9 8.526 9.874 -0.620 52 HD1 TYR 9 HD1 TYR 9 11.922 10.060 -2.190 53 HD2 TYR 9 HD2 TYR 9 9.237 11.587 0.737 54 HE1 TYR 9 HE1 TYR 9 13.635 11.670 -1.468 55 HE2 TYR 9 HE2 TYR 9 10.942 13.203 1.466 56 HH TYR 9 HH TYR 9 14.205 13.168 0.111 57 H GLU 10 H GLU 10 7.718 6.996 -1.619 58 HA GLU 10 HA GLU 10 6.621 6.836 0.988 59 HB2 GLU 10 2HB GLU 10 5.719 6.351 -1.595 60 HB3 GLU 10 3HB GLU 10 5.680 4.768 -0.831 61 HG2 GLU 10 2HG GLU 10 3.632 5.440 -0.203 62 HG3 GLU 10 3HG GLU 10 4.528 6.214 1.103 63 H CYS 11 H CYS 11 7.805 4.196 -1.103 64 HA CYS 11 HA CYS 11 7.872 2.255 0.917 65 HB2 CYS 11 2HB CYS 11 8.076 2.061 -1.697 66 HB3 CYS 11 3HB CYS 11 9.803 2.157 -1.369 67 H ASP 12 H ASP 12 10.178 4.696 -0.029 68 HA ASP 12 HA ASP 12 12.416 3.609 1.349 69 HB2 ASP 12 2HB ASP 12 12.925 5.169 -0.345 70 HB3 ASP 12 3HB ASP 12 11.766 6.344 0.271 71 H ARG 13 H ARG 13 10.497 6.518 2.123 72 HA ARG 13 HA ARG 13 11.456 6.856 4.710 73 HB2 ARG 13 2HB ARG 13 8.813 7.622 3.472 74 HB3 ARG 13 3HB ARG 13 9.291 8.116 5.091 75 HG2 ARG 13 2HG ARG 13 11.365 8.717 3.186 76 HG3 ARG 13 3HG ARG 13 9.826 9.428 2.696 77 HD2 ARG 13 2HD ARG 13 9.614 10.367 4.999 78 HD3 ARG 13 3HD ARG 13 11.245 9.785 5.331 79 HE ARG 13 HE ARG 13 11.587 11.276 3.112 80 HH11 ARG 13 1HH1 ARG 13 10.024 11.895 6.161 81 HH12 ARG 13 2HH1 ARG 13 10.358 13.595 6.135 82 HH21 ARG 13 1HH2 ARG 13 12.032 13.512 3.067 83 HH22 ARG 13 2HH2 ARG 13 11.500 14.514 4.374 84 H HIS 14 H HIS 14 9.145 4.608 3.469 85 HA HIS 14 HA HIS 14 7.643 4.016 5.734 86 HB2 HIS 14 2HB HIS 14 7.079 3.103 3.555 87 HB3 HIS 14 3HB HIS 14 8.573 2.173 3.523 88 HD1 HIS 14 HD1 HIS 14 5.128 2.172 4.923 89 HD2 HIS 14 HD2 HIS 14 8.578 -0.131 5.157 90 HE1 HIS 14 HE1 HIS 14 4.424 0.015 6.008 91 H CYS 15 H CYS 15 10.788 2.745 4.712 92 HA CYS 15 HA CYS 15 10.999 1.154 7.141 93 HB2 CYS 15 2HB CYS 15 12.920 1.481 4.826 94 HB3 CYS 15 3HB CYS 15 13.115 0.349 6.160 95 H VAL 16 H VAL 16 12.346 4.052 5.696 96 HA VAL 16 HA VAL 16 14.552 4.509 7.286 97 HB VAL 16 HB VAL 16 12.586 6.595 6.328 98 HG11 VAL 16 1HG1 VAL 16 15.353 6.741 7.454 99 HG12 VAL 16 2HG1 VAL 16 14.796 7.955 6.302 100 HG13 VAL 16 3HG1 VAL 16 13.940 7.726 7.827 101 HG21 VAL 16 3HG2 VAL 16 14.310 4.847 4.881 102 HG22 VAL 16 1HG2 VAL 16 13.263 6.126 4.267 103 HG23 VAL 16 2HG2 VAL 16 14.923 6.494 4.736 104 H SER 17 H SER 17 11.171 4.809 8.087 105 HA SER 17 HA SER 17 11.568 6.317 10.486 106 HB2 SER 17 2HB SER 17 9.403 6.610 9.801 107 HB3 SER 17 3HB SER 17 9.279 4.980 9.141 108 HG SER 17 HG SER 17 8.004 5.215 11.013 109 H LYS 18 H LYS 18 11.170 2.898 9.707 110 HA LYS 18 HA LYS 18 11.033 1.968 12.376 111 HB2 LYS 18 2HB LYS 18 11.642 0.687 9.733 112 HB3 LYS 18 3HB LYS 18 11.865 -0.222 11.222 113 HG2 LYS 18 2HG LYS 18 9.731 -0.815 10.899 114 HG3 LYS 18 3HG LYS 18 9.374 0.765 11.601 115 HD2 LYS 18 2HD LYS 18 8.406 1.406 9.706 116 HD3 LYS 18 3HD LYS 18 9.902 1.101 8.820 117 HE2 LYS 18 2HE LYS 18 7.706 -0.879 9.409 118 HE3 LYS 18 3HE LYS 18 8.110 -0.183 7.840 119 HZ1 LYS 18 3HZ LYS 18 10.450 -1.279 8.678 120 HZ2 LYS 18 1HZ LYS 18 9.375 -1.978 7.575 121 HZ3 LYS 18 2HZ LYS 18 9.301 -2.400 9.211 122 H GLY 19 H GLY 19 13.710 2.544 10.156 123 HA2 GLY 19 2HA GLY 19 15.688 3.261 11.745 124 HA3 GLY 19 3HA GLY 19 15.626 1.547 12.128 125 H TYR 20 H TYR 20 15.016 0.583 9.537 126 HA TYR 20 HA TYR 20 17.541 0.206 8.469 127 HB2 TYR 20 2HB TYR 20 14.949 0.094 6.916 128 HB3 TYR 20 3HB TYR 20 16.446 -0.749 6.534 129 HD1 TYR 20 HD2 TYR 20 17.277 -2.510 8.183 130 HD2 TYR 20 HD1 TYR 20 13.341 -0.897 8.305 131 HE1 TYR 20 HE2 TYR 20 16.531 -4.444 9.506 132 HE2 TYR 20 HE1 TYR 20 12.585 -2.827 9.630 133 HH TYR 20 HH TYR 20 13.338 -4.579 10.926 134 H THR 21 H THR 21 18.240 0.809 6.217 135 HA THR 21 HA THR 21 18.578 3.589 6.028 136 HB THR 21 HB THR 21 20.131 1.893 5.049 137 HG1 THR 21 HG1 THR 21 20.782 3.565 3.943 138 HG21 THR 21 3HG2 THR 21 18.421 1.796 2.609 139 HG22 THR 21 1HG2 THR 21 18.055 0.701 3.941 140 HG23 THR 21 2HG2 THR 21 19.642 0.657 3.175 141 H GLY 22 H GLY 22 16.206 1.429 4.639 142 HA2 GLY 22 2HA GLY 22 14.118 2.963 4.224 143 HA3 GLY 22 3HA GLY 22 15.150 3.566 2.937 144 H GLY 23 H GLY 23 12.554 2.196 2.785 145 HA2 GLY 23 2HA GLY 23 13.173 -0.421 1.685 146 HA3 GLY 23 3HA GLY 23 11.578 0.300 1.831 147 H ASN 24 H ASN 24 13.951 -0.601 -0.306 148 HA ASN 24 HA ASN 24 12.954 1.259 -2.363 149 HB2 ASN 24 2HB ASN 24 15.511 -0.249 -2.723 150 HB3 ASN 24 3HB ASN 24 15.038 1.320 -3.367 151 HD21 ASN 24 1HD2 ASN 24 14.300 2.704 -1.180 152 HD22 ASN 24 2HD2 ASN 24 15.637 2.892 -0.102 153 H CYS 25 H CYS 25 12.610 0.416 -4.483 154 HA CYS 25 HA CYS 25 11.833 -2.412 -4.443 155 HB2 CYS 25 2HB CYS 25 11.035 -0.175 -6.317 156 HB3 CYS 25 3HB CYS 25 10.463 -1.837 -6.431 157 H ARG 26 H ARG 26 12.368 -3.810 -6.160 158 HA ARG 26 HA ARG 26 14.303 -2.906 -8.134 159 HB2 ARG 26 2HB ARG 26 14.925 -5.047 -6.093 160 HB3 ARG 26 3HB ARG 26 15.869 -4.769 -7.550 161 HG2 ARG 26 2HG ARG 26 15.415 -2.694 -5.418 162 HG3 ARG 26 3HG ARG 26 16.823 -3.756 -5.490 163 HD2 ARG 26 2HD ARG 26 16.731 -2.736 -8.027 164 HD3 ARG 26 3HD ARG 26 16.177 -1.372 -7.058 165 HE ARG 26 HE ARG 26 18.827 -2.494 -7.126 166 HH11 ARG 26 1HH1 ARG 26 16.546 -0.614 -5.287 167 HH12 ARG 26 2HH1 ARG 26 17.764 0.200 -4.361 168 HH21 ARG 26 1HH2 ARG 26 20.440 -1.430 -5.914 169 HH22 ARG 26 2HH2 ARG 26 19.979 -0.264 -4.720 170 H GLY 27 H GLY 27 15.016 -4.975 -9.466 171 HA2 GLY 27 2HA GLY 27 12.506 -6.221 -10.294 172 HA3 GLY 27 3HA GLY 27 14.004 -6.192 -11.212 173 H LYS 28 H LYS 28 13.619 -7.179 -7.846 174 HA LYS 28 HA LYS 28 15.193 -9.441 -8.008 175 HB2 LYS 28 2HB LYS 28 13.853 -10.220 -5.973 176 HB3 LYS 28 3HB LYS 28 14.669 -8.667 -5.849 177 HG2 LYS 28 2HG LYS 28 11.929 -8.492 -6.854 178 HG3 LYS 28 3HG LYS 28 12.063 -9.133 -5.214 179 HD2 LYS 28 2HD LYS 28 13.677 -6.734 -5.864 180 HD3 LYS 28 3HD LYS 28 11.930 -6.517 -5.739 181 HE2 LYS 28 2HE LYS 28 13.166 -6.130 -3.609 182 HE3 LYS 28 3HE LYS 28 11.917 -7.370 -3.506 183 HZ1 LYS 28 3HZ LYS 28 14.793 -7.959 -3.935 184 HZ2 LYS 28 1HZ LYS 28 13.559 -9.070 -3.608 185 HZ3 LYS 28 2HZ LYS 28 14.046 -7.972 -2.417 186 H ILE 29 H ILE 29 11.844 -9.024 -8.881 187 HA ILE 29 HA ILE 29 11.850 -11.615 -10.175 188 HB ILE 29 HB ILE 29 9.584 -12.168 -9.139 189 HG12 ILE 29 2HG1 ILE 29 10.608 -10.208 -7.073 190 HG13 ILE 29 3HG1 ILE 29 9.172 -10.006 -8.072 191 HG21 ILE 29 1HG2 ILE 29 11.723 -12.340 -7.071 192 HG22 ILE 29 2HG2 ILE 29 10.587 -13.570 -7.622 193 HG23 ILE 29 3HG2 ILE 29 11.966 -13.130 -8.628 194 HD11 ILE 29 3HD1 ILE 29 8.235 -10.728 -6.127 195 HD12 ILE 29 1HD1 ILE 29 8.471 -12.270 -6.949 196 HD13 ILE 29 2HD1 ILE 29 9.612 -11.747 -5.710 197 H ARG 30 H ARG 30 10.040 -8.697 -9.330 198 HA ARG 30 HA ARG 30 9.416 -8.062 -11.991 199 HB2 ARG 30 2HB ARG 30 6.910 -8.415 -11.821 200 HB3 ARG 30 3HB ARG 30 7.880 -9.863 -12.052 201 HG2 ARG 30 2HG ARG 30 7.183 -10.755 -10.137 202 HG3 ARG 30 3HG ARG 30 7.451 -9.255 -9.247 203 HD2 ARG 30 2HD ARG 30 5.180 -9.112 -11.064 204 HD3 ARG 30 3HD ARG 30 5.006 -10.375 -9.846 205 HE ARG 30 HE ARG 30 4.794 -7.582 -9.426 206 HH11 ARG 30 1HH1 ARG 30 5.965 -10.506 -7.942 207 HH12 ARG 30 2HH1 ARG 30 5.776 -9.915 -6.325 208 HH21 ARG 30 1HH2 ARG 30 4.540 -6.793 -7.301 209 HH22 ARG 30 2HH2 ARG 30 4.964 -7.804 -5.961 210 H GLN 31 H GLN 31 10.467 -6.438 -10.273 211 HA GLN 31 HA GLN 31 10.297 -4.383 -9.312 212 HB2 GLN 31 2HB GLN 31 8.702 -4.149 -11.351 213 HB3 GLN 31 3HB GLN 31 7.419 -4.233 -10.151 214 HG2 GLN 31 2HG GLN 31 7.636 -2.035 -9.964 215 HG3 GLN 31 3HG GLN 31 9.137 -2.361 -9.099 216 HE21 GLN 31 1HE2 GLN 31 7.935 -2.105 -12.429 217 HE22 GLN 31 2HE2 GLN 31 9.301 -1.240 -13.037 218 H THR 32 H THR 32 10.444 -5.598 -7.284 219 HA THR 32 HA THR 32 7.963 -5.370 -5.707 220 HB THR 32 HB THR 32 10.187 -7.358 -5.215 221 HG1 THR 32 HG1 THR 32 7.615 -7.733 -6.392 222 HG21 THR 32 3HG2 THR 32 8.279 -8.403 -3.827 223 HG22 THR 32 1HG2 THR 32 7.538 -6.805 -3.915 224 HG23 THR 32 2HG2 THR 32 9.123 -7.002 -3.166 225 H CYS 33 H CYS 33 8.134 -4.609 -3.587 226 HA CYS 33 HA CYS 33 10.383 -2.846 -3.137 227 HB2 CYS 33 2HB CYS 33 7.634 -3.017 -2.257 228 HB3 CYS 33 3HB CYS 33 8.712 -2.787 -0.884 229 H HIS 34 H HIS 34 11.729 -2.869 -1.307 230 HA HIS 34 HA HIS 34 11.611 -5.027 0.588 231 HB2 HIS 34 2HB HIS 34 12.789 -5.802 -1.668 232 HB3 HIS 34 3HB HIS 34 14.170 -4.987 -0.941 233 HD1 HIS 34 HD1 HIS 34 11.562 -7.263 0.643 234 HD2 HIS 34 HD2 HIS 34 15.672 -6.976 0.103 235 HE1 HIS 34 HE1 HIS 34 12.544 -9.201 1.910 236 H CYS 35 H CYS 35 12.871 -4.661 2.401 237 HA CYS 35 HA CYS 35 14.076 -1.988 2.532 238 HB2 CYS 35 2HB CYS 35 13.000 -3.839 4.660 239 HB3 CYS 35 3HB CYS 35 13.919 -2.386 5.039 240 H TYR 36 H TYR 36 16.192 -1.700 2.890 241 HA TYR 36 HA TYR 36 17.853 -3.589 4.216 242 HB2 TYR 36 2HB TYR 36 19.189 -4.384 2.414 243 HB3 TYR 36 3HB TYR 36 17.515 -4.665 1.950 244 HD1 TYR 36 HD1 TYR 36 16.432 -2.663 0.567 245 HD2 TYR 36 HD2 TYR 36 20.602 -3.459 0.843 246 HE1 TYR 36 HE1 TYR 36 16.800 -1.426 -1.527 247 HE2 TYR 36 HE2 TYR 36 20.982 -2.224 -1.250 248 HH TYR 36 HH TYR 36 20.039 -1.160 -2.957 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -0.474 3.191 -6.383 2 HA2 GLY 1 2HA GLY 1 -0.747 1.707 -4.058 3 HA3 GLY 1 3HA GLY 1 0.679 1.689 -5.084 4 H PHE 2 H PHE 2 1.860 1.343 -3.088 5 HA PHE 2 HA PHE 2 2.037 3.661 -1.316 6 HB2 PHE 2 2HB PHE 2 3.227 0.888 -1.110 7 HB3 PHE 2 3HB PHE 2 3.476 2.165 0.076 8 HD1 PHE 2 HD2 PHE 2 0.831 3.349 0.320 9 HD2 PHE 2 HD1 PHE 2 1.964 -0.735 -0.067 10 HE1 PHE 2 HE2 PHE 2 -1.229 2.671 1.482 11 HE2 PHE 2 HE1 PHE 2 -0.095 -1.420 1.094 12 HZ PHE 2 HZ PHE 2 -1.694 0.284 1.871 13 H GLY 3 H GLY 3 3.085 3.639 -4.090 14 HA2 GLY 3 2HA GLY 3 4.882 4.669 -5.109 15 HA3 GLY 3 3HA GLY 3 5.611 4.868 -3.523 16 H CYS 4 H CYS 4 6.658 3.937 -6.196 17 HA CYS 4 HA CYS 4 8.536 2.094 -5.276 18 HB2 CYS 4 2HB CYS 4 6.032 0.887 -5.937 19 HB3 CYS 4 3HB CYS 4 7.223 0.389 -7.135 20 HA PRO 5 HA PRO 5 8.826 2.305 -10.088 21 HB2 PRO 5 2HB PRO 5 6.773 3.480 -11.420 22 HB3 PRO 5 3HB PRO 5 6.813 1.752 -11.047 23 HG2 PRO 5 2HG PRO 5 5.380 3.964 -9.627 24 HG3 PRO 5 3HG PRO 5 4.802 2.339 -10.037 25 HD2 PRO 5 2HD PRO 5 5.675 2.992 -7.559 26 HD3 PRO 5 3HD PRO 5 5.877 1.367 -8.245 27 H TRP 6 H TRP 6 6.903 5.034 -8.841 28 HA TRP 6 HA TRP 6 9.025 6.842 -9.798 29 HB2 TRP 6 2HB TRP 6 6.879 8.490 -9.644 30 HB3 TRP 6 3HB TRP 6 7.370 7.656 -11.115 31 HD1 TRP 6 HD1 TRP 6 5.764 5.814 -12.066 32 HE1 TRP 6 HE1 TRP 6 3.401 5.020 -11.428 33 HE3 TRP 6 HE3 TRP 6 5.324 8.136 -7.532 34 HZ2 TRP 6 HZ2 TRP 6 1.589 5.336 -9.286 35 HZ3 TRP 6 HZ3 TRP 6 3.244 7.839 -6.252 36 HH2 TRP 6 HH2 TRP 6 1.416 6.469 -7.113 37 H ASN 7 H ASN 7 6.694 6.101 -7.278 38 HA ASN 7 HA ASN 7 7.673 8.264 -5.595 39 HB2 ASN 7 2HB ASN 7 5.306 6.541 -5.658 40 HB3 ASN 7 3HB ASN 7 5.958 6.766 -4.037 41 HD21 ASN 7 1HD2 ASN 7 3.944 7.869 -3.633 42 HD22 ASN 7 2HD2 ASN 7 3.782 9.532 -4.074 43 H ALA 8 H ALA 8 9.847 7.449 -5.406 44 HA ALA 8 HA ALA 8 10.239 4.950 -3.979 45 HB1 ALA 8 1HB ALA 8 11.751 5.603 -5.815 46 HB2 ALA 8 2HB ALA 8 12.284 6.985 -4.856 47 HB3 ALA 8 3HB ALA 8 12.602 5.345 -4.291 48 H TYR 9 H TYR 9 10.147 8.359 -3.329 49 HA TYR 9 HA TYR 9 11.582 8.397 -0.907 50 HB2 TYR 9 2HB TYR 9 10.392 10.292 -2.484 51 HB3 TYR 9 3HB TYR 9 9.323 10.271 -1.086 52 HD1 TYR 9 HD1 TYR 9 10.411 10.540 1.229 53 HD2 TYR 9 HD2 TYR 9 12.397 11.485 -2.413 54 HE1 TYR 9 HE1 TYR 9 11.995 11.957 2.467 55 HE2 TYR 9 HE2 TYR 9 13.987 12.904 -1.185 56 HH TYR 9 HH TYR 9 13.915 13.115 2.344 57 H GLU 10 H GLU 10 8.256 7.607 -1.678 58 HA GLU 10 HA GLU 10 7.274 7.636 0.985 59 HB2 GLU 10 2HB GLU 10 5.889 7.727 -1.129 60 HB3 GLU 10 3HB GLU 10 6.191 6.004 -1.312 61 HG2 GLU 10 2HG GLU 10 4.387 5.647 -0.086 62 HG3 GLU 10 3HG GLU 10 5.280 6.280 1.296 63 H CYS 11 H CYS 11 8.281 4.973 -1.155 64 HA CYS 11 HA CYS 11 7.991 2.964 0.832 65 HB2 CYS 11 2HB CYS 11 8.211 2.860 -1.830 66 HB3 CYS 11 3HB CYS 11 9.896 2.561 -1.419 67 H ASP 12 H ASP 12 10.541 5.154 -0.032 68 HA ASP 12 HA ASP 12 12.627 3.725 1.322 69 HB2 ASP 12 2HB ASP 12 13.320 5.149 -0.451 70 HB3 ASP 12 3HB ASP 12 12.424 6.517 0.202 71 H ARG 13 H ARG 13 10.922 6.782 2.012 72 HA ARG 13 HA ARG 13 12.011 7.206 4.547 73 HB2 ARG 13 2HB ARG 13 10.343 8.845 4.858 74 HB3 ARG 13 3HB ARG 13 10.644 8.818 3.126 75 HG2 ARG 13 2HG ARG 13 8.393 8.795 3.045 76 HG3 ARG 13 3HG ARG 13 8.636 7.058 3.238 77 HD2 ARG 13 2HD ARG 13 8.606 7.749 5.810 78 HD3 ARG 13 3HD ARG 13 7.628 9.070 5.170 79 HE ARG 13 HE ARG 13 6.860 6.323 5.430 80 HH11 ARG 13 1HH1 ARG 13 6.343 9.255 3.625 81 HH12 ARG 13 2HH1 ARG 13 4.739 8.824 3.134 82 HH21 ARG 13 1HH2 ARG 13 4.749 5.744 4.789 83 HH22 ARG 13 2HH2 ARG 13 3.833 6.827 3.797 84 H HIS 14 H HIS 14 9.613 4.979 3.488 85 HA HIS 14 HA HIS 14 8.125 4.583 5.810 86 HB2 HIS 14 2HB HIS 14 7.498 3.579 3.677 87 HB3 HIS 14 3HB HIS 14 8.938 2.565 3.707 88 HD1 HIS 14 HD1 HIS 14 5.486 2.811 5.026 89 HD2 HIS 14 HD2 HIS 14 8.839 0.421 5.573 90 HE1 HIS 14 HE1 HIS 14 4.671 0.786 6.274 91 H CYS 15 H CYS 15 11.192 3.127 4.796 92 HA CYS 15 HA CYS 15 11.396 1.668 7.307 93 HB2 CYS 15 2HB CYS 15 13.292 1.788 4.951 94 HB3 CYS 15 3HB CYS 15 13.440 0.707 6.333 95 H VAL 16 H VAL 16 12.758 4.462 5.707 96 HA VAL 16 HA VAL 16 15.047 4.920 7.176 97 HB VAL 16 HB VAL 16 13.074 6.992 6.206 98 HG11 VAL 16 1HG1 VAL 16 14.404 8.263 7.556 99 HG12 VAL 16 2HG1 VAL 16 15.786 7.175 7.406 100 HG13 VAL 16 3HG1 VAL 16 15.383 8.278 6.089 101 HG21 VAL 16 3HG2 VAL 16 13.918 6.779 4.134 102 HG22 VAL 16 1HG2 VAL 16 15.562 6.533 4.723 103 HG23 VAL 16 2HG2 VAL 16 14.427 5.184 4.688 104 H SER 17 H SER 17 11.716 5.315 8.124 105 HA SER 17 HA SER 17 12.292 6.866 10.472 106 HB2 SER 17 2HB SER 17 10.087 6.822 9.158 107 HB3 SER 17 3HB SER 17 9.762 5.299 9.985 108 HG SER 17 HG SER 17 10.417 7.692 11.351 109 H LYS 18 H LYS 18 11.677 3.470 9.750 110 HA LYS 18 HA LYS 18 11.540 2.565 12.422 111 HB2 LYS 18 2HB LYS 18 12.014 1.267 9.770 112 HB3 LYS 18 3HB LYS 18 12.316 0.343 11.235 113 HG2 LYS 18 2HG LYS 18 10.157 -0.226 10.990 114 HG3 LYS 18 3HG LYS 18 9.876 1.316 11.802 115 HD2 LYS 18 2HD LYS 18 8.954 2.225 9.976 116 HD3 LYS 18 3HD LYS 18 10.219 1.591 8.920 117 HE2 LYS 18 2HE LYS 18 8.288 0.532 8.161 118 HE3 LYS 18 3HE LYS 18 9.036 -0.673 9.208 119 HZ1 LYS 18 3HZ LYS 18 6.469 0.242 9.376 120 HZ2 LYS 18 1HZ LYS 18 7.258 1.041 10.641 121 HZ3 LYS 18 2HZ LYS 18 7.289 -0.647 10.558 122 H GLY 19 H GLY 19 14.222 2.977 10.164 123 HA2 GLY 19 2HA GLY 19 16.246 3.636 11.723 124 HA3 GLY 19 3HA GLY 19 16.108 1.934 12.140 125 H TYR 20 H TYR 20 15.447 0.922 9.595 126 HA TYR 20 HA TYR 20 17.933 0.414 8.508 127 HB2 TYR 20 2HB TYR 20 15.344 0.407 6.949 128 HB3 TYR 20 3HB TYR 20 16.787 -0.544 6.617 129 HD1 TYR 20 HD1 TYR 20 17.462 -2.332 8.278 130 HD2 TYR 20 HD2 TYR 20 13.677 -0.393 8.406 131 HE1 TYR 20 HE1 TYR 20 16.576 -4.166 9.657 132 HE2 TYR 20 HE2 TYR 20 12.781 -2.221 9.787 133 HH TYR 20 HH TYR 20 13.629 -3.962 11.313 134 H THR 21 H THR 21 18.546 0.909 6.162 135 HA THR 21 HA THR 21 19.048 3.680 5.939 136 HB THR 21 HB THR 21 20.519 1.896 4.993 137 HG1 THR 21 HG1 THR 21 20.242 4.250 4.193 138 HG21 THR 21 3HG2 THR 21 18.691 1.816 2.620 139 HG22 THR 21 1HG2 THR 21 18.464 0.695 3.961 140 HG23 THR 21 2HG2 THR 21 19.984 0.705 3.067 141 H GLY 22 H GLY 22 16.526 1.624 4.707 142 HA2 GLY 22 2HA GLY 22 14.528 3.238 4.240 143 HA3 GLY 22 3HA GLY 22 15.570 3.744 2.919 144 H GLY 23 H GLY 23 12.895 2.456 2.920 145 HA2 GLY 23 2HA GLY 23 13.391 -0.199 1.852 146 HA3 GLY 23 3HA GLY 23 11.824 0.573 2.046 147 H ASN 24 H ASN 24 13.988 -0.513 -0.179 148 HA ASN 24 HA ASN 24 12.995 1.355 -2.231 149 HB2 ASN 24 2HB ASN 24 15.484 -0.251 -2.657 150 HB3 ASN 24 3HB ASN 24 15.030 1.308 -3.339 151 HD21 ASN 24 1HD2 ASN 24 14.423 2.778 -1.155 152 HD22 ASN 24 2HD2 ASN 24 15.817 2.967 -0.152 153 H CYS 25 H CYS 25 12.641 0.446 -4.361 154 HA CYS 25 HA CYS 25 11.678 -2.320 -4.187 155 HB2 CYS 25 2HB CYS 25 11.023 -0.125 -6.164 156 HB3 CYS 25 3HB CYS 25 10.346 -1.750 -6.202 157 H ARG 26 H ARG 26 12.148 -3.842 -5.800 158 HA ARG 26 HA ARG 26 14.100 -3.161 -7.844 159 HB2 ARG 26 2HB ARG 26 14.657 -5.212 -5.694 160 HB3 ARG 26 3HB ARG 26 15.614 -5.010 -7.155 161 HG2 ARG 26 2HG ARG 26 15.211 -2.883 -5.064 162 HG3 ARG 26 3HG ARG 26 16.616 -3.945 -5.170 163 HD2 ARG 26 2HD ARG 26 16.167 -2.773 -7.726 164 HD3 ARG 26 3HD ARG 26 16.150 -1.494 -6.512 165 HE ARG 26 HE ARG 26 18.348 -2.946 -5.873 166 HH11 ARG 26 1HH1 ARG 26 17.216 -1.450 -8.806 167 HH12 ARG 26 2HH1 ARG 26 18.807 -1.149 -9.421 168 HH21 ARG 26 1HH2 ARG 26 20.448 -2.555 -6.673 169 HH22 ARG 26 2HH2 ARG 26 20.645 -1.779 -8.208 170 H GLY 27 H GLY 27 14.710 -5.350 -9.032 171 HA2 GLY 27 2HA GLY 27 12.140 -6.532 -9.761 172 HA3 GLY 27 3HA GLY 27 13.634 -6.644 -10.679 173 H LYS 28 H LYS 28 13.171 -7.372 -7.253 174 HA LYS 28 HA LYS 28 14.652 -9.699 -7.224 175 HB2 LYS 28 2HB LYS 28 13.236 -10.285 -5.175 176 HB3 LYS 28 3HB LYS 28 14.115 -8.762 -5.135 177 HG2 LYS 28 2HG LYS 28 11.407 -8.544 -6.215 178 HG3 LYS 28 3HG LYS 28 11.479 -9.075 -4.533 179 HD2 LYS 28 2HD LYS 28 13.199 -6.789 -5.320 180 HD3 LYS 28 3HD LYS 28 11.461 -6.501 -5.223 181 HE2 LYS 28 2HE LYS 28 12.537 -5.984 -3.105 182 HE3 LYS 28 3HE LYS 28 11.452 -7.362 -2.930 183 HZ1 LYS 28 3HZ LYS 28 14.324 -7.771 -3.462 184 HZ2 LYS 28 1HZ LYS 28 13.212 -8.831 -2.752 185 HZ3 LYS 28 2HZ LYS 28 13.773 -7.490 -1.887 186 H ILE 29 H ILE 29 11.320 -9.222 -8.159 187 HA ILE 29 HA ILE 29 11.257 -11.877 -9.313 188 HB ILE 29 HB ILE 29 8.972 -12.310 -8.259 189 HG12 ILE 29 2HG1 ILE 29 10.045 -10.274 -6.294 190 HG13 ILE 29 3HG1 ILE 29 8.621 -10.082 -7.311 191 HG21 ILE 29 1HG2 ILE 29 9.926 -13.507 -6.443 192 HG22 ILE 29 2HG2 ILE 29 11.127 -13.490 -7.733 193 HG23 ILE 29 3HG2 ILE 29 11.299 -12.405 -6.354 194 HD11 ILE 29 3HD1 ILE 29 9.004 -11.752 -4.878 195 HD12 ILE 29 1HD1 ILE 29 7.687 -10.659 -5.302 196 HD13 ILE 29 2HD1 ILE 29 7.814 -12.235 -6.086 197 H ARG 30 H ARG 30 9.530 -8.868 -8.634 198 HA ARG 30 HA ARG 30 8.919 -8.386 -11.338 199 HB2 ARG 30 2HB ARG 30 7.304 -10.321 -10.575 200 HB3 ARG 30 3HB ARG 30 6.409 -9.001 -9.835 201 HG2 ARG 30 2HG ARG 30 5.385 -9.135 -11.874 202 HG3 ARG 30 3HG ARG 30 6.623 -7.922 -12.207 203 HD2 ARG 30 2HD ARG 30 7.764 -9.282 -13.598 204 HD3 ARG 30 3HD ARG 30 7.451 -10.714 -12.619 205 HE ARG 30 HE ARG 30 5.977 -9.846 -14.897 206 HH11 ARG 30 1HH1 ARG 30 5.686 -11.477 -11.835 207 HH12 ARG 30 2HH1 ARG 30 4.298 -12.399 -12.310 208 HH21 ARG 30 1HH2 ARG 30 4.150 -11.053 -15.534 209 HH22 ARG 30 2HH2 ARG 30 3.425 -12.157 -14.414 210 H GLN 31 H GLN 31 10.068 -6.702 -9.732 211 HA GLN 31 HA GLN 31 10.008 -4.583 -8.908 212 HB2 GLN 31 2HB GLN 31 7.622 -4.779 -10.606 213 HB3 GLN 31 3HB GLN 31 7.516 -3.536 -9.367 214 HG2 GLN 31 2HG GLN 31 9.574 -2.531 -10.168 215 HG3 GLN 31 3HG GLN 31 9.737 -3.800 -11.381 216 HE21 GLN 31 1HE2 GLN 31 9.727 -2.275 -13.044 217 HE22 GLN 31 2HE2 GLN 31 8.275 -1.482 -13.544 218 H THR 32 H THR 32 10.112 -5.521 -6.779 219 HA THR 32 HA THR 32 7.640 -5.067 -5.244 220 HB THR 32 HB THR 32 9.688 -7.199 -4.614 221 HG1 THR 32 HG1 THR 32 7.176 -7.323 -5.939 222 HG21 THR 32 3HG2 THR 32 7.229 -6.189 -3.291 223 HG22 THR 32 1HG2 THR 32 8.710 -6.835 -2.584 224 HG23 THR 32 2HG2 THR 32 7.507 -7.930 -3.265 225 H CYS 33 H CYS 33 7.890 -4.235 -3.144 226 HA CYS 33 HA CYS 33 10.272 -2.621 -2.810 227 HB2 CYS 33 2HB CYS 33 7.543 -2.411 -2.048 228 HB3 CYS 33 3HB CYS 33 8.502 -2.418 -0.571 229 H HIS 34 H HIS 34 11.606 -2.632 -0.961 230 HA HIS 34 HA HIS 34 11.332 -4.674 1.042 231 HB2 HIS 34 2HB HIS 34 12.419 -5.698 -1.129 232 HB3 HIS 34 3HB HIS 34 13.865 -4.886 -0.536 233 HD1 HIS 34 HD1 HIS 34 11.216 -7.064 1.134 234 HD2 HIS 34 HD2 HIS 34 15.341 -6.659 0.850 235 HE1 HIS 34 HE1 HIS 34 12.172 -8.877 2.592 236 H CYS 35 H CYS 35 12.845 -4.450 2.764 237 HA CYS 35 HA CYS 35 14.090 -1.790 2.828 238 HB2 CYS 35 2HB CYS 35 13.072 -3.608 5.008 239 HB3 CYS 35 3HB CYS 35 14.087 -2.211 5.348 240 H TYR 36 H TYR 36 16.231 -1.588 2.921 241 HA TYR 36 HA TYR 36 17.945 -3.441 4.227 242 HB2 TYR 36 2HB TYR 36 19.085 -4.417 2.380 243 HB3 TYR 36 3HB TYR 36 17.367 -4.661 2.083 244 HD1 TYR 36 HD2 TYR 36 16.281 -2.563 0.733 245 HD2 TYR 36 HD1 TYR 36 20.343 -3.816 0.553 246 HE1 TYR 36 HE2 TYR 36 16.507 -1.494 -1.471 247 HE2 TYR 36 HE1 TYR 36 20.581 -2.749 -1.651 248 HH TYR 36 HH TYR 36 18.505 -0.519 -2.846 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -0.501 -1.922 -2.497 2 HA2 GLY 1 2HA GLY 1 1.820 -0.556 -1.301 3 HA3 GLY 1 3HA GLY 1 1.999 -1.446 -2.805 4 H PHE 2 H PHE 2 2.200 1.489 -1.986 5 HA PHE 2 HA PHE 2 0.757 2.498 -4.317 6 HB2 PHE 2 2HB PHE 2 0.648 3.966 -1.682 7 HB3 PHE 2 3HB PHE 2 -0.241 4.329 -3.157 8 HD1 PHE 2 HD2 PHE 2 0.015 2.052 -0.288 9 HD2 PHE 2 HD1 PHE 2 -2.253 3.175 -3.709 10 HE1 PHE 2 HE2 PHE 2 -1.868 0.690 0.518 11 HE2 PHE 2 HE1 PHE 2 -4.141 1.815 -2.909 12 HZ PHE 2 HZ PHE 2 -3.949 0.569 -0.793 13 H GLY 3 H GLY 3 3.201 2.186 -4.789 14 HA2 GLY 3 2HA GLY 3 4.457 4.373 -5.547 15 HA3 GLY 3 3HA GLY 3 4.809 4.432 -3.826 16 H CYS 4 H CYS 4 6.495 4.023 -6.307 17 HA CYS 4 HA CYS 4 8.425 2.341 -5.208 18 HB2 CYS 4 2HB CYS 4 6.319 0.929 -6.582 19 HB3 CYS 4 3HB CYS 4 7.850 0.698 -7.420 20 HA PRO 5 HA PRO 5 9.592 3.212 -9.808 21 HB2 PRO 5 2HB PRO 5 7.674 4.271 -11.412 22 HB3 PRO 5 3HB PRO 5 7.909 2.530 -11.216 23 HG2 PRO 5 2HG PRO 5 5.907 4.330 -9.907 24 HG3 PRO 5 3HG PRO 5 5.677 2.711 -10.592 25 HD2 PRO 5 2HD PRO 5 5.949 3.143 -7.933 26 HD3 PRO 5 3HD PRO 5 6.527 1.663 -8.724 27 H TRP 6 H TRP 6 7.060 5.482 -8.737 28 HA TRP 6 HA TRP 6 9.021 7.662 -9.039 29 HB2 TRP 6 2HB TRP 6 6.661 8.982 -9.167 30 HB3 TRP 6 3HB TRP 6 7.538 8.408 -10.583 31 HD1 TRP 6 HD1 TRP 6 6.428 6.517 -12.018 32 HE1 TRP 6 HE1 TRP 6 4.136 5.348 -11.949 33 HE3 TRP 6 HE3 TRP 6 4.818 8.157 -7.451 34 HZ2 TRP 6 HZ2 TRP 6 1.937 5.148 -10.191 35 HZ3 TRP 6 HZ3 TRP 6 2.608 7.431 -6.649 36 HH2 TRP 6 HH2 TRP 6 1.199 5.958 -7.993 37 H ASN 7 H ASN 7 6.432 6.270 -7.129 38 HA ASN 7 HA ASN 7 6.716 8.315 -5.073 39 HB2 ASN 7 2HB ASN 7 4.695 6.333 -5.805 40 HB3 ASN 7 3HB ASN 7 4.994 6.397 -4.071 41 HD21 ASN 7 1HD2 ASN 7 2.835 7.188 -3.880 42 HD22 ASN 7 2HD2 ASN 7 2.491 8.856 -4.172 43 H ALA 8 H ALA 8 8.835 6.298 -5.755 44 HA ALA 8 HA ALA 8 9.113 4.285 -3.896 45 HB1 ALA 8 1HB ALA 8 11.291 4.139 -4.554 46 HB2 ALA 8 2HB ALA 8 10.656 5.126 -5.872 47 HB3 ALA 8 3HB ALA 8 11.530 5.887 -4.542 48 H TYR 9 H TYR 9 9.557 7.732 -3.478 49 HA TYR 9 HA TYR 9 11.009 7.816 -1.124 50 HB2 TYR 9 2HB TYR 9 9.705 9.665 -2.706 51 HB3 TYR 9 3HB TYR 9 8.826 9.763 -1.184 52 HD1 TYR 9 HD2 TYR 9 12.222 9.974 -2.667 53 HD2 TYR 9 HD1 TYR 9 9.735 10.910 0.656 54 HE1 TYR 9 HE2 TYR 9 14.007 11.387 -1.736 55 HE2 TYR 9 HE1 TYR 9 11.513 12.327 1.595 56 HH TYR 9 HH TYR 9 14.653 12.205 0.649 57 H GLU 10 H GLU 10 7.691 6.922 -1.649 58 HA GLU 10 HA GLU 10 6.790 7.202 1.027 59 HB2 GLU 10 2HB GLU 10 5.154 7.099 -0.712 60 HB3 GLU 10 3HB GLU 10 5.782 5.565 -1.298 61 HG2 GLU 10 2HG GLU 10 3.627 5.499 0.028 62 HG3 GLU 10 3HG GLU 10 4.898 4.377 0.511 63 H CYS 11 H CYS 11 7.859 4.366 -0.844 64 HA CYS 11 HA CYS 11 7.704 2.571 1.351 65 HB2 CYS 11 2HB CYS 11 7.855 2.178 -1.278 66 HB3 CYS 11 3HB CYS 11 9.570 2.031 -0.909 67 H ASP 12 H ASP 12 10.094 4.814 0.255 68 HA ASP 12 HA ASP 12 12.340 3.636 1.551 69 HB2 ASP 12 2HB ASP 12 12.880 5.131 -0.179 70 HB3 ASP 12 3HB ASP 12 11.770 6.362 0.417 71 H ARG 13 H ARG 13 10.418 6.532 2.364 72 HA ARG 13 HA ARG 13 11.553 6.984 4.872 73 HB2 ARG 13 2HB ARG 13 8.820 7.652 3.781 74 HB3 ARG 13 3HB ARG 13 9.380 8.198 5.355 75 HG2 ARG 13 2HG ARG 13 11.413 8.894 3.580 76 HG3 ARG 13 3HG ARG 13 9.907 9.281 2.745 77 HD2 ARG 13 2HD ARG 13 9.318 10.880 4.259 78 HD3 ARG 13 3HD ARG 13 10.136 10.069 5.594 79 HE ARG 13 HE ARG 13 12.122 10.939 3.886 80 HH11 ARG 13 1HH1 ARG 13 9.575 12.372 5.778 81 HH12 ARG 13 2HH1 ARG 13 10.424 13.860 6.033 82 HH21 ARG 13 1HH2 ARG 13 13.250 12.895 4.215 83 HH22 ARG 13 2HH2 ARG 13 12.514 14.157 5.143 84 H HIS 14 H HIS 14 9.271 4.617 3.843 85 HA HIS 14 HA HIS 14 7.914 4.063 6.214 86 HB2 HIS 14 2HB HIS 14 7.278 3.078 4.066 87 HB3 HIS 14 3HB HIS 14 8.770 2.143 4.037 88 HD1 HIS 14 HD1 HIS 14 5.331 2.129 5.359 89 HD2 HIS 14 HD2 HIS 14 8.858 0.018 5.962 90 HE1 HIS 14 HE1 HIS 14 4.667 0.056 6.617 91 H CYS 15 H CYS 15 11.031 2.861 5.037 92 HA CYS 15 HA CYS 15 11.439 1.342 7.487 93 HB2 CYS 15 2HB CYS 15 13.218 1.672 5.061 94 HB3 CYS 15 3HB CYS 15 13.512 0.571 6.403 95 H VAL 16 H VAL 16 12.582 4.252 5.904 96 HA VAL 16 HA VAL 16 14.869 4.823 7.336 97 HB VAL 16 HB VAL 16 12.762 6.799 6.449 98 HG11 VAL 16 1HG1 VAL 16 15.634 7.149 7.278 99 HG12 VAL 16 2HG1 VAL 16 14.738 8.361 6.361 100 HG13 VAL 16 3HG1 VAL 16 14.201 7.902 7.977 101 HG21 VAL 16 3HG2 VAL 16 14.274 5.076 4.898 102 HG22 VAL 16 1HG2 VAL 16 13.475 6.550 4.350 103 HG23 VAL 16 2HG2 VAL 16 15.169 6.595 4.839 104 H SER 17 H SER 17 11.537 5.017 8.351 105 HA SER 17 HA SER 17 12.054 6.574 10.703 106 HB2 SER 17 2HB SER 17 9.851 6.809 10.023 107 HB3 SER 17 3HB SER 17 9.693 5.107 9.590 108 HG SER 17 HG SER 17 9.645 6.285 12.159 109 H LYS 18 H LYS 18 11.719 3.149 9.957 110 HA LYS 18 HA LYS 18 11.712 2.225 12.635 111 HB2 LYS 18 2HB LYS 18 12.190 0.971 9.961 112 HB3 LYS 18 3HB LYS 18 12.597 0.066 11.413 113 HG2 LYS 18 2HG LYS 18 10.476 -0.647 11.242 114 HG3 LYS 18 3HG LYS 18 10.111 0.881 12.048 115 HD2 LYS 18 2HD LYS 18 9.072 1.697 10.243 116 HD3 LYS 18 3HD LYS 18 10.359 1.161 9.160 117 HE2 LYS 18 2HE LYS 18 8.615 -0.121 8.407 118 HE3 LYS 18 3HE LYS 18 9.316 -1.205 9.608 119 HZ1 LYS 18 3HZ LYS 18 7.646 -0.086 11.190 120 HZ2 LYS 18 1HZ LYS 18 7.078 -1.253 10.104 121 HZ3 LYS 18 2HZ LYS 18 6.845 0.390 9.777 122 H GLY 19 H GLY 19 14.276 2.857 10.298 123 HA2 GLY 19 2HA GLY 19 16.305 3.650 11.763 124 HA3 GLY 19 3HA GLY 19 16.295 1.953 12.218 125 H TYR 20 H TYR 20 15.576 0.898 9.674 126 HA TYR 20 HA TYR 20 18.054 0.482 8.525 127 HB2 TYR 20 2HB TYR 20 15.421 0.362 7.045 128 HB3 TYR 20 3HB TYR 20 16.895 -0.521 6.662 129 HD1 TYR 20 HD1 TYR 20 17.749 -2.190 8.434 130 HD2 TYR 20 HD2 TYR 20 13.801 -0.605 8.413 131 HE1 TYR 20 HE1 TYR 20 16.996 -4.065 9.836 132 HE2 TYR 20 HE2 TYR 20 13.037 -2.475 9.817 133 HH TYR 20 HH TYR 20 13.636 -4.647 10.475 134 H THR 21 H THR 21 18.552 0.985 6.140 135 HA THR 21 HA THR 21 18.965 3.769 5.902 136 HB THR 21 HB THR 21 20.444 2.029 4.889 137 HG1 THR 21 HG1 THR 21 20.338 4.296 4.168 138 HG21 THR 21 3HG2 THR 21 18.602 0.622 3.978 139 HG22 THR 21 1HG2 THR 21 19.848 1.003 2.791 140 HG23 THR 21 2HG2 THR 21 18.309 1.863 2.761 141 H GLY 22 H GLY 22 16.497 1.614 4.684 142 HA2 GLY 22 2HA GLY 22 14.409 3.161 4.337 143 HA3 GLY 22 3HA GLY 22 15.385 3.733 2.992 144 H GLY 23 H GLY 23 12.766 2.339 3.054 145 HA2 GLY 23 2HA GLY 23 13.347 -0.266 1.895 146 HA3 GLY 23 3HA GLY 23 11.753 0.409 2.199 147 H ASN 24 H ASN 24 13.862 -0.473 -0.172 148 HA ASN 24 HA ASN 24 12.628 1.376 -2.108 149 HB2 ASN 24 2HB ASN 24 15.209 -0.005 -2.720 150 HB3 ASN 24 3HB ASN 24 14.601 1.540 -3.306 151 HD21 ASN 24 1HD2 ASN 24 14.018 2.893 -1.061 152 HD22 ASN 24 2HD2 ASN 24 15.439 3.139 -0.110 153 H CYS 25 H CYS 25 12.369 0.481 -4.301 154 HA CYS 25 HA CYS 25 11.537 -2.328 -4.149 155 HB2 CYS 25 2HB CYS 25 10.820 -0.293 -6.265 156 HB3 CYS 25 3HB CYS 25 10.071 -1.864 -6.002 157 H ARG 26 H ARG 26 12.083 -3.814 -5.772 158 HA ARG 26 HA ARG 26 14.019 -3.024 -7.794 159 HB2 ARG 26 2HB ARG 26 14.629 -4.935 -5.547 160 HB3 ARG 26 3HB ARG 26 15.499 -4.988 -7.074 161 HG2 ARG 26 2HG ARG 26 15.322 -2.548 -5.323 162 HG3 ARG 26 3HG ARG 26 16.646 -3.714 -5.274 163 HD2 ARG 26 2HD ARG 26 15.990 -2.707 -7.951 164 HD3 ARG 26 3HD ARG 26 16.592 -1.485 -6.832 165 HE ARG 26 HE ARG 26 18.330 -3.581 -6.579 166 HH11 ARG 26 1HH1 ARG 26 17.203 -1.600 -9.210 167 HH12 ARG 26 2HH1 ARG 26 18.675 -1.733 -10.113 168 HH21 ARG 26 1HH2 ARG 26 20.273 -3.764 -7.759 169 HH22 ARG 26 2HH2 ARG 26 20.421 -2.966 -9.287 170 H GLY 27 H GLY 27 14.711 -5.143 -9.035 171 HA2 GLY 27 2HA GLY 27 12.197 -6.433 -9.778 172 HA3 GLY 27 3HA GLY 27 13.687 -6.444 -10.711 173 H LYS 28 H LYS 28 13.352 -7.269 -7.298 174 HA LYS 28 HA LYS 28 14.924 -9.533 -7.370 175 HB2 LYS 28 2HB LYS 28 13.603 -10.218 -5.287 176 HB3 LYS 28 3HB LYS 28 14.425 -8.664 -5.244 177 HG2 LYS 28 2HG LYS 28 11.675 -8.528 -6.225 178 HG3 LYS 28 3HG LYS 28 11.826 -9.089 -4.559 179 HD2 LYS 28 2HD LYS 28 13.402 -6.707 -5.393 180 HD3 LYS 28 3HD LYS 28 11.665 -6.515 -5.148 181 HE2 LYS 28 2HE LYS 28 13.518 -7.745 -3.116 182 HE3 LYS 28 3HE LYS 28 13.087 -6.036 -3.137 183 HZ1 LYS 28 3HZ LYS 28 10.909 -6.491 -2.576 184 HZ2 LYS 28 1HZ LYS 28 11.750 -7.641 -1.663 185 HZ3 LYS 28 2HZ LYS 28 10.983 -8.098 -3.099 186 H ILE 29 H ILE 29 11.545 -9.175 -8.179 187 HA ILE 29 HA ILE 29 11.548 -11.807 -9.387 188 HB ILE 29 HB ILE 29 9.321 -12.355 -8.264 189 HG12 ILE 29 2HG1 ILE 29 10.381 -10.317 -6.294 190 HG13 ILE 29 3HG1 ILE 29 8.915 -10.163 -7.256 191 HG21 ILE 29 1HG2 ILE 29 11.780 -13.212 -7.774 192 HG22 ILE 29 2HG2 ILE 29 11.465 -12.452 -6.215 193 HG23 ILE 29 3HG2 ILE 29 10.402 -13.730 -6.804 194 HD11 ILE 29 3HD1 ILE 29 8.422 -10.776 -4.957 195 HD12 ILE 29 1HD1 ILE 29 7.934 -12.048 -6.076 196 HD13 ILE 29 2HD1 ILE 29 9.408 -12.228 -5.125 197 H ARG 30 H ARG 30 9.726 -8.885 -8.584 198 HA ARG 30 HA ARG 30 9.007 -8.360 -11.248 199 HB2 ARG 30 2HB ARG 30 7.509 -10.398 -10.483 200 HB3 ARG 30 3HB ARG 30 6.564 -9.131 -9.713 201 HG2 ARG 30 2HG ARG 30 5.497 -9.128 -11.693 202 HG3 ARG 30 3HG ARG 30 6.826 -8.062 -12.155 203 HD2 ARG 30 2HD ARG 30 7.796 -9.623 -13.478 204 HD3 ARG 30 3HD ARG 30 7.320 -10.959 -12.431 205 HE ARG 30 HE ARG 30 5.054 -9.861 -13.719 206 HH11 ARG 30 1HH1 ARG 30 7.857 -11.837 -14.320 207 HH12 ARG 30 2HH1 ARG 30 7.122 -12.713 -15.622 208 HH21 ARG 30 1HH2 ARG 30 4.075 -11.008 -15.431 209 HH22 ARG 30 2HH2 ARG 30 4.971 -12.240 -16.253 210 H GLN 31 H GLN 31 10.110 -6.652 -9.659 211 HA GLN 31 HA GLN 31 9.966 -4.566 -8.764 212 HB2 GLN 31 2HB GLN 31 7.509 -4.851 -10.358 213 HB3 GLN 31 3HB GLN 31 7.427 -3.623 -9.101 214 HG2 GLN 31 2HG GLN 31 9.903 -3.470 -10.587 215 HG3 GLN 31 3HG GLN 31 8.493 -3.340 -11.638 216 HE21 GLN 31 1HE2 GLN 31 8.324 -1.251 -12.088 217 HE22 GLN 31 2HE2 GLN 31 8.276 0.027 -10.926 218 H THR 32 H THR 32 10.191 -5.616 -6.678 219 HA THR 32 HA THR 32 7.759 -5.323 -5.039 220 HB THR 32 HB THR 32 9.945 -7.360 -4.576 221 HG1 THR 32 HG1 THR 32 7.284 -7.727 -5.537 222 HG21 THR 32 3HG2 THR 32 8.153 -8.291 -3.013 223 HG22 THR 32 1HG2 THR 32 7.365 -6.722 -3.167 224 HG23 THR 32 2HG2 THR 32 8.990 -6.830 -2.489 225 H CYS 33 H CYS 33 8.025 -4.500 -2.950 226 HA CYS 33 HA CYS 33 10.297 -2.748 -2.646 227 HB2 CYS 33 2HB CYS 33 7.609 -2.938 -1.575 228 HB3 CYS 33 3HB CYS 33 8.783 -2.643 -0.296 229 H HIS 34 H HIS 34 11.695 -2.701 -0.824 230 HA HIS 34 HA HIS 34 11.725 -4.879 1.050 231 HB2 HIS 34 2HB HIS 34 12.768 -5.781 -1.111 232 HB3 HIS 34 3HB HIS 34 14.109 -4.687 -0.784 233 HD1 HIS 34 HD1 HIS 34 12.468 -6.416 2.079 234 HD2 HIS 34 HD2 HIS 34 15.822 -6.874 -0.329 235 HE1 HIS 34 HE1 HIS 34 13.893 -8.138 3.231 236 H CYS 35 H CYS 35 13.089 -4.509 2.803 237 HA CYS 35 HA CYS 35 14.112 -1.769 2.964 238 HB2 CYS 35 2HB CYS 35 13.307 -3.802 5.033 239 HB3 CYS 35 3HB CYS 35 14.254 -2.382 5.465 240 H TYR 36 H TYR 36 16.220 -1.344 2.990 241 HA TYR 36 HA TYR 36 18.087 -3.601 3.192 242 HB2 TYR 36 2HB TYR 36 18.618 -0.818 2.137 243 HB3 TYR 36 3HB TYR 36 19.685 -2.213 2.016 244 HD1 TYR 36 HD2 TYR 36 16.465 -0.807 0.853 245 HD2 TYR 36 HD1 TYR 36 19.446 -3.785 0.260 246 HE1 TYR 36 HE2 TYR 36 15.441 -1.394 -1.305 247 HE2 TYR 36 HE1 TYR 36 18.431 -4.380 -1.900 248 HH TYR 36 HH TYR 36 15.375 -3.457 -2.811 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -1.001 -2.034 -4.635 2 HA2 GLY 1 2HA GLY 1 1.023 -0.981 -5.099 3 HA3 GLY 1 3HA GLY 1 0.159 0.187 -6.088 4 H PHE 2 H PHE 2 2.048 1.272 -4.651 5 HA PHE 2 HA PHE 2 0.763 3.150 -3.029 6 HB2 PHE 2 2HB PHE 2 1.945 2.455 -0.838 7 HB3 PHE 2 3HB PHE 2 0.466 1.613 -1.288 8 HD1 PHE 2 HD2 PHE 2 4.125 1.297 -1.976 9 HD2 PHE 2 HD1 PHE 2 0.481 -0.645 -0.943 10 HE1 PHE 2 HE2 PHE 2 5.314 -0.853 -1.837 11 HE2 PHE 2 HE1 PHE 2 1.664 -2.798 -0.801 12 HZ PHE 2 HZ PHE 2 4.083 -2.904 -1.250 13 H GLY 3 H GLY 3 2.727 2.980 -5.123 14 HA2 GLY 3 2HA GLY 3 4.433 4.553 -5.585 15 HA3 GLY 3 3HA GLY 3 4.797 4.626 -3.867 16 H CYS 4 H CYS 4 6.450 4.112 -6.351 17 HA CYS 4 HA CYS 4 8.319 2.373 -5.236 18 HB2 CYS 4 2HB CYS 4 6.152 1.024 -6.580 19 HB3 CYS 4 3HB CYS 4 7.668 0.722 -7.421 20 HA PRO 5 HA PRO 5 9.495 3.130 -9.855 21 HB2 PRO 5 2HB PRO 5 7.611 4.238 -11.465 22 HB3 PRO 5 3HB PRO 5 7.780 2.492 -11.244 23 HG2 PRO 5 2HG PRO 5 5.855 4.388 -9.954 24 HG3 PRO 5 3HG PRO 5 5.559 2.768 -10.612 25 HD2 PRO 5 2HD PRO 5 5.862 3.230 -7.961 26 HD3 PRO 5 3HD PRO 5 6.379 1.716 -8.732 27 H TRP 6 H TRP 6 7.059 5.511 -8.805 28 HA TRP 6 HA TRP 6 9.101 7.609 -9.148 29 HB2 TRP 6 2HB TRP 6 6.793 9.017 -9.289 30 HB3 TRP 6 3HB TRP 6 7.642 8.389 -10.698 31 HD1 TRP 6 HD1 TRP 6 6.456 6.521 -12.102 32 HE1 TRP 6 HE1 TRP 6 4.121 5.443 -12.009 33 HE3 TRP 6 HE3 TRP 6 4.926 8.289 -7.555 34 HZ2 TRP 6 HZ2 TRP 6 1.921 5.353 -10.242 35 HZ3 TRP 6 HZ3 TRP 6 2.692 7.660 -6.736 36 HH2 TRP 6 HH2 TRP 6 1.222 6.223 -8.054 37 H ASN 7 H ASN 7 6.465 6.349 -7.210 38 HA ASN 7 HA ASN 7 6.838 8.411 -5.185 39 HB2 ASN 7 2HB ASN 7 4.737 6.499 -5.881 40 HB3 ASN 7 3HB ASN 7 5.044 6.581 -4.148 41 HD21 ASN 7 1HD2 ASN 7 2.907 7.454 -3.987 42 HD22 ASN 7 2HD2 ASN 7 2.633 9.131 -4.298 43 H ALA 8 H ALA 8 8.868 6.295 -5.846 44 HA ALA 8 HA ALA 8 9.071 4.305 -3.951 45 HB1 ALA 8 1HB ALA 8 10.881 5.686 -5.739 46 HB2 ALA 8 2HB ALA 8 11.678 5.203 -4.241 47 HB3 ALA 8 3HB ALA 8 10.863 3.996 -5.235 48 H TYR 9 H TYR 9 9.667 7.736 -3.601 49 HA TYR 9 HA TYR 9 11.135 7.798 -1.255 50 HB2 TYR 9 2HB TYR 9 9.850 9.669 -2.863 51 HB3 TYR 9 3HB TYR 9 9.077 9.854 -1.293 52 HD1 TYR 9 HD2 TYR 9 12.440 9.690 -2.890 53 HD2 TYR 9 HD1 TYR 9 10.101 11.140 0.355 54 HE1 TYR 9 HE2 TYR 9 14.356 11.022 -2.111 55 HE2 TYR 9 HE1 TYR 9 12.009 12.477 1.141 56 HH TYR 9 HH TYR 9 14.463 12.474 0.949 57 H GLU 10 H GLU 10 7.780 7.042 -1.750 58 HA GLU 10 HA GLU 10 6.894 7.422 0.916 59 HB2 GLU 10 2HB GLU 10 5.255 7.327 -0.819 60 HB3 GLU 10 3HB GLU 10 5.829 5.756 -1.362 61 HG2 GLU 10 2HG GLU 10 3.758 5.501 -0.167 62 HG3 GLU 10 3HG GLU 10 5.070 4.765 0.752 63 H CYS 11 H CYS 11 7.772 4.464 -0.869 64 HA CYS 11 HA CYS 11 7.559 2.732 1.344 65 HB2 CYS 11 2HB CYS 11 7.760 2.257 -1.243 66 HB3 CYS 11 3HB CYS 11 9.480 2.161 -0.877 67 H ASP 12 H ASP 12 10.052 4.892 0.303 68 HA ASP 12 HA ASP 12 12.213 3.683 1.706 69 HB2 ASP 12 2HB ASP 12 12.754 5.172 -0.080 70 HB3 ASP 12 3HB ASP 12 11.784 6.466 0.619 71 H ARG 13 H ARG 13 10.410 6.687 2.399 72 HA ARG 13 HA ARG 13 11.428 7.173 4.919 73 HB2 ARG 13 2HB ARG 13 8.785 7.813 3.645 74 HB3 ARG 13 3HB ARG 13 9.104 8.263 5.315 75 HG2 ARG 13 2HG ARG 13 11.259 9.046 3.541 76 HG3 ARG 13 3HG ARG 13 9.708 9.745 3.071 77 HD2 ARG 13 2HD ARG 13 9.572 10.203 5.686 78 HD3 ARG 13 3HD ARG 13 11.327 10.166 5.522 79 HE ARG 13 HE ARG 13 10.553 11.836 3.539 80 HH11 ARG 13 1HH1 ARG 13 9.896 11.704 6.955 81 HH12 ARG 13 2HH1 ARG 13 9.716 13.420 7.119 82 HH21 ARG 13 1HH2 ARG 13 10.319 14.096 3.742 83 HH22 ARG 13 2HH2 ARG 13 9.956 14.779 5.291 84 H HIS 14 H HIS 14 9.022 4.862 3.921 85 HA HIS 14 HA HIS 14 7.787 4.323 6.365 86 HB2 HIS 14 2HB HIS 14 6.921 3.429 4.278 87 HB3 HIS 14 3HB HIS 14 8.375 2.460 4.055 88 HD1 HIS 14 HD1 HIS 14 5.211 2.614 6.055 89 HD2 HIS 14 HD2 HIS 14 8.461 0.084 5.510 90 HE1 HIS 14 HE1 HIS 14 4.580 0.457 7.184 91 H CYS 15 H CYS 15 10.763 3.024 4.964 92 HA CYS 15 HA CYS 15 11.236 1.383 7.322 93 HB2 CYS 15 2HB CYS 15 11.926 1.152 4.621 94 HB3 CYS 15 3HB CYS 15 13.443 1.496 5.445 95 H VAL 16 H VAL 16 12.288 4.376 5.896 96 HA VAL 16 HA VAL 16 14.718 4.769 7.197 97 HB VAL 16 HB VAL 16 12.646 6.845 6.470 98 HG11 VAL 16 1HG1 VAL 16 14.196 7.780 8.049 99 HG12 VAL 16 2HG1 VAL 16 15.569 7.122 7.157 100 HG13 VAL 16 3HG1 VAL 16 14.583 8.400 6.445 101 HG21 VAL 16 3HG2 VAL 16 14.835 6.892 4.708 102 HG22 VAL 16 1HG2 VAL 16 14.372 5.199 4.881 103 HG23 VAL 16 2HG2 VAL 16 13.181 6.390 4.361 104 H SER 17 H SER 17 11.493 4.844 8.428 105 HA SER 17 HA SER 17 12.185 6.325 10.816 106 HB2 SER 17 2HB SER 17 9.859 6.110 9.524 107 HB3 SER 17 3HB SER 17 9.650 4.766 10.646 108 HG SER 17 HG SER 17 8.914 6.451 11.779 109 H LYS 18 H LYS 18 11.606 2.981 9.879 110 HA LYS 18 HA LYS 18 11.534 1.815 12.417 111 HB2 LYS 18 2HB LYS 18 12.138 0.869 9.666 112 HB3 LYS 18 3HB LYS 18 12.655 -0.162 10.994 113 HG2 LYS 18 2HG LYS 18 10.578 -1.011 10.613 114 HG3 LYS 18 3HG LYS 18 10.187 0.220 11.817 115 HD2 LYS 18 2HD LYS 18 9.093 1.525 10.321 116 HD3 LYS 18 3HD LYS 18 10.179 1.099 8.995 117 HE2 LYS 18 2HE LYS 18 8.330 -0.006 8.280 118 HE3 LYS 18 3HE LYS 18 8.996 -1.264 9.320 119 HZ1 LYS 18 3HZ LYS 18 7.547 -0.012 11.099 120 HZ2 LYS 18 1HZ LYS 18 6.875 -1.194 10.092 121 HZ3 LYS 18 2HZ LYS 18 6.659 0.445 9.734 122 H GLY 19 H GLY 19 14.283 2.548 10.302 123 HA2 GLY 19 2HA GLY 19 16.179 3.307 11.971 124 HA3 GLY 19 3HA GLY 19 16.142 1.590 12.345 125 H TYR 20 H TYR 20 15.431 1.068 9.446 126 HA TYR 20 HA TYR 20 18.096 0.623 8.549 127 HB2 TYR 20 2HB TYR 20 15.565 0.422 6.912 128 HB3 TYR 20 3HB TYR 20 17.099 -0.386 6.607 129 HD1 TYR 20 HD1 TYR 20 17.812 -2.271 8.028 130 HD2 TYR 20 HD2 TYR 20 13.999 -0.445 8.508 131 HE1 TYR 20 HE1 TYR 20 17.052 -4.214 9.330 132 HE2 TYR 20 HE2 TYR 20 13.229 -2.383 9.813 133 HH TYR 20 HH TYR 20 14.624 -5.273 9.809 134 H THR 21 H THR 21 18.433 1.178 6.037 135 HA THR 21 HA THR 21 18.790 4.014 5.966 136 HB THR 21 HB THR 21 20.402 2.394 4.955 137 HG1 THR 21 HG1 THR 21 20.551 4.513 4.267 138 HG21 THR 21 3HG2 THR 21 19.953 1.201 3.020 139 HG22 THR 21 1HG2 THR 21 18.594 2.232 2.575 140 HG23 THR 21 2HG2 THR 21 18.425 1.070 3.891 141 H GLY 22 H GLY 22 16.399 1.812 4.775 142 HA2 GLY 22 2HA GLY 22 14.290 3.277 4.343 143 HA3 GLY 22 3HA GLY 22 15.269 3.867 3.009 144 H GLY 23 H GLY 23 12.690 2.336 3.120 145 HA2 GLY 23 2HA GLY 23 13.394 -0.227 1.939 146 HA3 GLY 23 3HA GLY 23 11.771 0.363 2.265 147 H ASN 24 H ASN 24 13.784 -0.492 -0.146 148 HA ASN 24 HA ASN 24 12.517 1.364 -2.053 149 HB2 ASN 24 2HB ASN 24 15.064 -0.045 -2.735 150 HB3 ASN 24 3HB ASN 24 14.456 1.505 -3.307 151 HD21 ASN 24 1HD2 ASN 24 13.953 2.869 -1.049 152 HD22 ASN 24 2HD2 ASN 24 15.404 3.102 -0.141 153 H CYS 25 H CYS 25 12.241 0.451 -4.256 154 HA CYS 25 HA CYS 25 11.340 -2.333 -4.057 155 HB2 CYS 25 2HB CYS 25 10.664 -0.341 -6.224 156 HB3 CYS 25 3HB CYS 25 9.855 -1.866 -5.878 157 H ARG 26 H ARG 26 11.828 -3.851 -5.676 158 HA ARG 26 HA ARG 26 13.786 -3.138 -7.706 159 HB2 ARG 26 2HB ARG 26 14.331 -5.118 -5.495 160 HB3 ARG 26 3HB ARG 26 15.242 -5.084 -6.999 161 HG2 ARG 26 2HG ARG 26 15.015 -2.764 -5.094 162 HG3 ARG 26 3HG ARG 26 16.355 -3.912 -5.126 163 HD2 ARG 26 2HD ARG 26 16.548 -3.273 -7.617 164 HD3 ARG 26 3HD ARG 26 15.562 -1.878 -7.180 165 HE ARG 26 HE ARG 26 17.683 -2.017 -5.378 166 HH11 ARG 26 1HH1 ARG 26 17.161 -1.478 -8.778 167 HH12 ARG 26 2HH1 ARG 26 18.557 -0.471 -8.966 168 HH21 ARG 26 1HH2 ARG 26 19.524 -0.692 -5.613 169 HH22 ARG 26 2HH2 ARG 26 19.902 -0.025 -7.165 170 H GLY 27 H GLY 27 14.403 -5.280 -8.941 171 HA2 GLY 27 2HA GLY 27 11.846 -6.496 -9.666 172 HA3 GLY 27 3HA GLY 27 13.329 -6.554 -10.608 173 H LYS 28 H LYS 28 13.013 -7.353 -7.190 174 HA LYS 28 HA LYS 28 14.506 -9.670 -7.275 175 HB2 LYS 28 2HB LYS 28 13.201 -10.298 -5.165 176 HB3 LYS 28 3HB LYS 28 14.076 -8.772 -5.146 177 HG2 LYS 28 2HG LYS 28 11.314 -8.548 -6.079 178 HG3 LYS 28 3HG LYS 28 11.476 -9.105 -4.412 179 HD2 LYS 28 2HD LYS 28 13.121 -6.785 -5.283 180 HD3 LYS 28 3HD LYS 28 11.394 -6.529 -5.021 181 HE2 LYS 28 2HE LYS 28 13.227 -7.808 -3.001 182 HE3 LYS 28 3HE LYS 28 12.850 -6.086 -3.028 183 HZ1 LYS 28 3HZ LYS 28 10.661 -6.471 -2.447 184 HZ2 LYS 28 1HZ LYS 28 11.479 -7.631 -1.527 185 HZ3 LYS 28 2HZ LYS 28 10.686 -8.086 -2.950 186 H ILE 29 H ILE 29 11.134 -9.197 -8.044 187 HA ILE 29 HA ILE 29 11.024 -11.840 -9.221 188 HB ILE 29 HB ILE 29 8.790 -12.289 -8.069 189 HG12 ILE 29 2HG1 ILE 29 9.949 -10.271 -6.134 190 HG13 ILE 29 3HG1 ILE 29 8.479 -10.073 -7.081 191 HG21 ILE 29 1HG2 ILE 29 11.194 -12.398 -6.263 192 HG22 ILE 29 2HG2 ILE 29 9.827 -13.510 -6.321 193 HG23 ILE 29 3HG2 ILE 29 10.981 -13.461 -7.653 194 HD11 ILE 29 3HD1 ILE 29 7.791 -12.285 -5.828 195 HD12 ILE 29 1HD1 ILE 29 8.971 -11.701 -4.655 196 HD13 ILE 29 2HD1 ILE 29 7.588 -10.697 -5.088 197 H ARG 30 H ARG 30 9.322 -8.843 -8.432 198 HA ARG 30 HA ARG 30 8.598 -8.314 -11.093 199 HB2 ARG 30 2HB ARG 30 7.034 -10.294 -10.284 200 HB3 ARG 30 3HB ARG 30 6.135 -8.977 -9.545 201 HG2 ARG 30 2HG ARG 30 5.075 -9.058 -11.546 202 HG3 ARG 30 3HG ARG 30 6.376 -7.943 -11.971 203 HD2 ARG 30 2HD ARG 30 7.388 -9.436 -13.326 204 HD3 ARG 30 3HD ARG 30 7.011 -10.800 -12.273 205 HE ARG 30 HE ARG 30 5.155 -11.206 -13.540 206 HH11 ARG 30 1HH1 ARG 30 6.248 -7.959 -14.155 207 HH12 ARG 30 2HH1 ARG 30 5.122 -7.684 -15.443 208 HH21 ARG 30 1HH2 ARG 30 3.667 -10.857 -15.233 209 HH22 ARG 30 2HH2 ARG 30 3.654 -9.333 -16.055 210 H GLN 31 H GLN 31 9.773 -6.647 -9.493 211 HA GLN 31 HA GLN 31 9.705 -4.545 -8.626 212 HB2 GLN 31 2HB GLN 31 6.812 -4.453 -9.474 213 HB3 GLN 31 3HB GLN 31 7.904 -3.096 -9.234 214 HG2 GLN 31 2HG GLN 31 8.201 -5.189 -11.376 215 HG3 GLN 31 3HG GLN 31 7.479 -3.597 -11.605 216 HE21 GLN 31 1HE2 GLN 31 10.407 -5.382 -11.149 217 HE22 GLN 31 2HE2 GLN 31 11.498 -4.086 -11.488 218 H THR 32 H THR 32 9.903 -5.662 -6.549 219 HA THR 32 HA THR 32 7.501 -5.277 -4.883 220 HB THR 32 HB THR 32 9.665 -7.342 -4.435 221 HG1 THR 32 HG1 THR 32 7.962 -7.558 -6.235 222 HG21 THR 32 3HG2 THR 32 7.093 -6.709 -2.996 223 HG22 THR 32 1HG2 THR 32 8.729 -6.711 -2.339 224 HG23 THR 32 2HG2 THR 32 7.961 -8.231 -2.796 225 H CYS 33 H CYS 33 7.790 -4.423 -2.814 226 HA CYS 33 HA CYS 33 10.103 -2.716 -2.541 227 HB2 CYS 33 2HB CYS 33 7.484 -2.444 -1.823 228 HB3 CYS 33 3HB CYS 33 8.217 -2.882 -0.284 229 H HIS 34 H HIS 34 11.534 -2.694 -0.765 230 HA HIS 34 HA HIS 34 11.494 -4.803 1.186 231 HB2 HIS 34 2HB HIS 34 12.501 -5.732 -1.044 232 HB3 HIS 34 3HB HIS 34 13.924 -4.808 -0.570 233 HD1 HIS 34 HD1 HIS 34 15.445 -6.731 0.009 234 HD2 HIS 34 HD2 HIS 34 11.790 -6.918 1.976 235 HE1 HIS 34 HE1 HIS 34 15.684 -8.579 1.697 236 H CYS 35 H CYS 35 13.083 -4.533 2.831 237 HA CYS 35 HA CYS 35 14.124 -1.793 2.941 238 HB2 CYS 35 2HB CYS 35 13.249 -3.778 4.994 239 HB3 CYS 35 3HB CYS 35 14.460 -2.583 5.448 240 H TYR 36 H TYR 36 16.244 -1.376 2.959 241 HA TYR 36 HA TYR 36 18.216 -3.161 3.950 242 HB2 TYR 36 2HB TYR 36 19.334 -3.753 1.885 243 HB3 TYR 36 3HB TYR 36 17.667 -4.312 1.817 244 HD1 TYR 36 HD1 TYR 36 15.980 -2.664 0.659 245 HD2 TYR 36 HD2 TYR 36 20.195 -2.577 0.086 246 HE1 TYR 36 HE1 TYR 36 15.660 -1.469 -1.466 247 HE2 TYR 36 HE2 TYR 36 19.887 -1.380 -2.041 248 HH TYR 36 HH TYR 36 18.393 -0.715 -3.579 Start of MODEL 7 1 H1 GLY 1 H GLY 1 0.138 -0.807 -2.722 2 HA2 GLY 1 2HA GLY 1 2.268 -0.768 -4.733 3 HA3 GLY 1 3HA GLY 1 0.667 -1.278 -5.249 4 H PHE 2 H PHE 2 1.965 1.348 -3.212 5 HA PHE 2 HA PHE 2 0.285 3.215 -4.751 6 HB2 PHE 2 2HB PHE 2 1.317 3.682 -1.955 7 HB3 PHE 2 3HB PHE 2 0.055 4.569 -2.804 8 HD1 PHE 2 HD2 PHE 2 0.885 1.435 -1.078 9 HD2 PHE 2 HD1 PHE 2 -2.188 3.763 -2.882 10 HE1 PHE 2 HE2 PHE 2 -0.814 -0.039 -0.080 11 HE2 PHE 2 HE1 PHE 2 -3.891 2.294 -1.885 12 HZ PHE 2 HZ PHE 2 -3.205 0.389 -0.483 13 H GLY 3 H GLY 3 3.476 2.449 -3.677 14 HA2 GLY 3 2HA GLY 3 4.543 4.583 -5.346 15 HA3 GLY 3 3HA GLY 3 4.960 4.663 -3.641 16 H CYS 4 H CYS 4 6.555 4.174 -6.156 17 HA CYS 4 HA CYS 4 8.460 2.437 -5.095 18 HB2 CYS 4 2HB CYS 4 6.277 1.090 -6.416 19 HB3 CYS 4 3HB CYS 4 7.781 0.807 -7.287 20 HA PRO 5 HA PRO 5 9.544 3.257 -9.725 21 HB2 PRO 5 2HB PRO 5 7.622 4.366 -11.288 22 HB3 PRO 5 3HB PRO 5 7.810 2.620 -11.090 23 HG2 PRO 5 2HG PRO 5 5.892 4.483 -9.744 24 HG3 PRO 5 3HG PRO 5 5.598 2.868 -10.415 25 HD2 PRO 5 2HD PRO 5 5.945 3.304 -7.765 26 HD3 PRO 5 3HD PRO 5 6.461 1.803 -8.562 27 H TRP 6 H TRP 6 7.107 5.605 -8.604 28 HA TRP 6 HA TRP 6 9.125 7.724 -8.957 29 HB2 TRP 6 2HB TRP 6 6.801 9.112 -9.050 30 HB3 TRP 6 3HB TRP 6 7.640 8.511 -10.478 31 HD1 TRP 6 HD1 TRP 6 6.455 6.651 -11.891 32 HE1 TRP 6 HE1 TRP 6 4.132 5.546 -11.783 33 HE3 TRP 6 HE3 TRP 6 4.965 8.340 -7.302 34 HZ2 TRP 6 HZ2 TRP 6 1.957 5.410 -9.990 35 HZ3 TRP 6 HZ3 TRP 6 2.748 7.677 -6.464 36 HH2 TRP 6 HH2 TRP 6 1.277 6.243 -7.782 37 H ASN 7 H ASN 7 6.525 6.423 -6.997 38 HA ASN 7 HA ASN 7 6.912 8.466 -4.955 39 HB2 ASN 7 2HB ASN 7 4.816 6.539 -5.638 40 HB3 ASN 7 3HB ASN 7 5.141 6.626 -3.909 41 HD21 ASN 7 1HD2 ASN 7 3.025 7.496 -3.678 42 HD22 ASN 7 2HD2 ASN 7 2.725 9.165 -4.008 43 H ALA 8 H ALA 8 8.974 6.421 -5.644 44 HA ALA 8 HA ALA 8 9.223 4.379 -3.817 45 HB1 ALA 8 1HB ALA 8 11.614 6.029 -4.523 46 HB2 ALA 8 2HB ALA 8 11.464 4.277 -4.376 47 HB3 ALA 8 3HB ALA 8 10.769 5.109 -5.768 48 H TYR 9 H TYR 9 9.675 7.810 -3.330 49 HA TYR 9 HA TYR 9 11.136 7.855 -0.982 50 HB2 TYR 9 2HB TYR 9 9.641 9.703 -2.498 51 HB3 TYR 9 3HB TYR 9 9.033 9.819 -0.850 52 HD1 TYR 9 HD2 TYR 9 11.955 10.282 -3.018 53 HD2 TYR 9 HD1 TYR 9 10.435 10.649 0.939 54 HE1 TYR 9 HE2 TYR 9 13.892 11.669 -2.409 55 HE2 TYR 9 HE1 TYR 9 12.367 12.039 1.558 56 HH TYR 9 HH TYR 9 14.989 12.671 -0.741 57 H GLU 10 H GLU 10 7.816 6.959 -1.505 58 HA GLU 10 HA GLU 10 6.924 7.175 1.175 59 HB2 GLU 10 2HB GLU 10 5.283 7.074 -0.557 60 HB3 GLU 10 3HB GLU 10 5.934 5.561 -1.173 61 HG2 GLU 10 2HG GLU 10 3.823 5.295 0.076 62 HG3 GLU 10 3HG GLU 10 5.162 4.370 0.753 63 H CYS 11 H CYS 11 7.916 4.334 -0.738 64 HA CYS 11 HA CYS 11 7.836 2.537 1.449 65 HB2 CYS 11 2HB CYS 11 7.900 2.130 -1.164 66 HB3 CYS 11 3HB CYS 11 9.637 2.044 -0.885 67 H ASP 12 H ASP 12 10.210 4.777 0.303 68 HA ASP 12 HA ASP 12 12.473 3.590 1.566 69 HB2 ASP 12 2HB ASP 12 12.954 5.068 -0.213 70 HB3 ASP 12 3HB ASP 12 11.918 6.331 0.448 71 H ARG 13 H ARG 13 10.644 6.549 2.369 72 HA ARG 13 HA ARG 13 11.815 6.966 4.870 73 HB2 ARG 13 2HB ARG 13 9.095 7.755 3.819 74 HB3 ARG 13 3HB ARG 13 9.749 8.321 5.350 75 HG2 ARG 13 2HG ARG 13 11.735 8.834 3.450 76 HG3 ARG 13 3HG ARG 13 10.210 9.302 2.695 77 HD2 ARG 13 2HD ARG 13 9.886 10.343 5.170 78 HD3 ARG 13 3HD ARG 13 11.634 10.479 4.987 79 HE ARG 13 HE ARG 13 11.311 12.113 3.410 80 HH11 ARG 13 1HH1 ARG 13 8.304 10.458 3.991 81 HH12 ARG 13 2HH1 ARG 13 7.359 11.578 3.066 82 HH21 ARG 13 1HH2 ARG 13 10.078 13.594 2.190 83 HH22 ARG 13 2HH2 ARG 13 8.369 13.361 2.042 84 H HIS 14 H HIS 14 9.404 4.719 3.862 85 HA HIS 14 HA HIS 14 8.028 4.251 6.239 86 HB2 HIS 14 2HB HIS 14 7.263 3.266 4.177 87 HB3 HIS 14 3HB HIS 14 8.759 2.354 4.002 88 HD1 HIS 14 HD1 HIS 14 5.411 2.200 5.493 89 HD2 HIS 14 HD2 HIS 14 9.026 0.193 5.900 90 HE1 HIS 14 HE1 HIS 14 4.867 0.077 6.728 91 H CYS 15 H CYS 15 11.080 2.890 5.068 92 HA CYS 15 HA CYS 15 11.411 1.361 7.524 93 HB2 CYS 15 2HB CYS 15 13.218 1.596 5.107 94 HB3 CYS 15 3HB CYS 15 13.436 0.475 6.447 95 H VAL 16 H VAL 16 12.689 4.210 5.937 96 HA VAL 16 HA VAL 16 15.003 4.675 7.364 97 HB VAL 16 HB VAL 16 12.986 6.740 6.470 98 HG11 VAL 16 1HG1 VAL 16 15.303 8.031 6.312 99 HG12 VAL 16 2HG1 VAL 16 14.333 8.020 7.786 100 HG13 VAL 16 3HG1 VAL 16 15.711 6.930 7.627 101 HG21 VAL 16 3HG2 VAL 16 14.471 4.958 4.940 102 HG22 VAL 16 1HG2 VAL 16 13.687 6.434 4.378 103 HG23 VAL 16 2HG2 VAL 16 15.381 6.467 4.868 104 H SER 17 H SER 17 11.686 5.025 8.385 105 HA SER 17 HA SER 17 12.277 6.559 10.733 106 HB2 SER 17 2HB SER 17 9.839 5.496 11.262 107 HB3 SER 17 3HB SER 17 10.083 6.926 10.259 108 HG SER 17 HG SER 17 9.165 4.469 9.566 109 H LYS 18 H LYS 18 11.732 3.148 10.014 110 HA LYS 18 HA LYS 18 11.721 2.238 12.691 111 HB2 LYS 18 2HB LYS 18 12.123 0.942 10.022 112 HB3 LYS 18 3HB LYS 18 12.467 0.028 11.485 113 HG2 LYS 18 2HG LYS 18 10.309 -0.556 11.313 114 HG3 LYS 18 3HG LYS 18 10.030 1.002 12.095 115 HD2 LYS 18 2HD LYS 18 9.034 1.837 10.278 116 HD3 LYS 18 3HD LYS 18 10.315 1.249 9.214 117 HE2 LYS 18 2HE LYS 18 8.598 -0.013 8.422 118 HE3 LYS 18 3HE LYS 18 9.133 -1.076 9.723 119 HZ1 LYS 18 3HZ LYS 18 7.119 -0.925 10.594 120 HZ2 LYS 18 1HZ LYS 18 6.629 0.154 9.386 121 HZ3 LYS 18 2HZ LYS 18 7.324 0.740 10.812 122 H GLY 19 H GLY 19 14.291 2.727 10.326 123 HA2 GLY 19 2HA GLY 19 16.370 3.416 11.783 124 HA3 GLY 19 3HA GLY 19 16.281 1.716 12.219 125 H TYR 20 H TYR 20 15.524 0.676 9.710 126 HA TYR 20 HA TYR 20 17.966 0.194 8.519 127 HB2 TYR 20 2HB TYR 20 15.313 0.147 7.074 128 HB3 TYR 20 3HB TYR 20 16.753 -0.786 6.682 129 HD1 TYR 20 HD2 TYR 20 17.593 -2.413 8.543 130 HD2 TYR 20 HD1 TYR 20 13.654 -0.813 8.381 131 HE1 TYR 20 HE2 TYR 20 16.794 -4.253 9.966 132 HE2 TYR 20 HE1 TYR 20 12.844 -2.648 9.805 133 HH TYR 20 HH TYR 20 15.042 -5.197 10.944 134 H THR 21 H THR 21 18.632 0.736 6.267 135 HA THR 21 HA THR 21 19.051 3.483 5.977 136 HB THR 21 HB THR 21 20.475 1.706 4.953 137 HG1 THR 21 HG1 THR 21 20.911 2.957 3.098 138 HG21 THR 21 3HG2 THR 21 19.834 0.726 2.832 139 HG22 THR 21 1HG2 THR 21 18.298 1.590 2.863 140 HG23 THR 21 2HG2 THR 21 18.625 0.330 4.053 141 H GLY 22 H GLY 22 16.516 1.406 4.759 142 HA2 GLY 22 2HA GLY 22 14.473 3.012 4.425 143 HA3 GLY 22 3HA GLY 22 15.461 3.566 3.082 144 H GLY 23 H GLY 23 12.810 2.286 3.085 145 HA2 GLY 23 2HA GLY 23 13.298 -0.349 1.947 146 HA3 GLY 23 3HA GLY 23 11.730 0.396 2.220 147 H ASN 24 H ASN 24 13.801 -0.612 -0.116 148 HA ASN 24 HA ASN 24 12.691 1.288 -2.077 149 HB2 ASN 24 2HB ASN 24 15.232 -0.187 -2.635 150 HB3 ASN 24 3HB ASN 24 14.689 1.374 -3.242 151 HD21 ASN 24 1HD2 ASN 24 14.109 2.759 -1.014 152 HD22 ASN 24 2HD2 ASN 24 15.521 2.964 -0.039 153 H CYS 25 H CYS 25 12.256 0.431 -4.196 154 HA CYS 25 HA CYS 25 11.427 -2.375 -4.077 155 HB2 CYS 25 2HB CYS 25 10.690 -0.307 -6.153 156 HB3 CYS 25 3HB CYS 25 9.921 -1.868 -5.883 157 H ARG 26 H ARG 26 11.899 -3.842 -5.747 158 HA ARG 26 HA ARG 26 13.798 -3.056 -7.802 159 HB2 ARG 26 2HB ARG 26 14.445 -5.024 -5.611 160 HB3 ARG 26 3HB ARG 26 15.293 -5.016 -7.152 161 HG2 ARG 26 2HG ARG 26 15.154 -2.702 -5.229 162 HG3 ARG 26 3HG ARG 26 16.515 -3.811 -5.406 163 HD2 ARG 26 2HD ARG 26 16.683 -3.123 -7.791 164 HD3 ARG 26 3HD ARG 26 15.429 -1.922 -7.488 165 HE ARG 26 HE ARG 26 17.393 -1.464 -5.608 166 HH11 ARG 26 1HH1 ARG 26 17.155 -1.490 -9.081 167 HH12 ARG 26 2HH1 ARG 26 18.393 -0.298 -9.305 168 HH21 ARG 26 1HH2 ARG 26 19.024 0.105 -5.889 169 HH22 ARG 26 2HH2 ARG 26 19.456 0.608 -7.489 170 H GLY 27 H GLY 27 14.436 -5.175 -9.077 171 HA2 GLY 27 2HA GLY 27 11.888 -6.428 -9.769 172 HA3 GLY 27 3HA GLY 27 13.353 -6.448 -10.739 173 H LYS 28 H LYS 28 13.101 -7.298 -7.326 174 HA LYS 28 HA LYS 28 14.640 -9.582 -7.461 175 HB2 LYS 28 2HB LYS 28 13.374 -10.266 -5.345 176 HB3 LYS 28 3HB LYS 28 14.216 -8.722 -5.315 177 HG2 LYS 28 2HG LYS 28 11.439 -8.546 -6.213 178 HG3 LYS 28 3HG LYS 28 11.633 -9.122 -4.556 179 HD2 LYS 28 2HD LYS 28 13.227 -6.761 -5.401 180 HD3 LYS 28 3HD LYS 28 11.495 -6.536 -5.144 181 HE2 LYS 28 2HE LYS 28 12.732 -6.050 -3.109 182 HE3 LYS 28 3HE LYS 28 11.716 -7.474 -2.890 183 HZ1 LYS 28 3HZ LYS 28 13.552 -8.883 -2.967 184 HZ2 LYS 28 1HZ LYS 28 14.094 -7.578 -2.036 185 HZ3 LYS 28 2HZ LYS 28 14.561 -7.713 -3.656 186 H ILE 29 H ILE 29 11.248 -9.169 -8.179 187 HA ILE 29 HA ILE 29 11.178 -11.796 -9.397 188 HB ILE 29 HB ILE 29 8.971 -12.312 -8.220 189 HG12 ILE 29 2HG1 ILE 29 10.114 -10.300 -6.269 190 HG13 ILE 29 3HG1 ILE 29 8.627 -10.118 -7.193 191 HG21 ILE 29 1HG2 ILE 29 11.350 -12.404 -6.391 192 HG22 ILE 29 2HG2 ILE 29 10.052 -13.583 -6.572 193 HG23 ILE 29 3HG2 ILE 29 11.252 -13.390 -7.850 194 HD11 ILE 29 3HD1 ILE 29 9.141 -12.204 -5.086 195 HD12 ILE 29 1HD1 ILE 29 8.186 -10.735 -4.881 196 HD13 ILE 29 2HD1 ILE 29 7.645 -11.992 -5.995 197 H ARG 30 H ARG 30 9.423 -8.849 -8.535 198 HA ARG 30 HA ARG 30 8.650 -8.295 -11.177 199 HB2 ARG 30 2HB ARG 30 7.141 -10.320 -10.379 200 HB3 ARG 30 3HB ARG 30 6.225 -9.035 -9.603 201 HG2 ARG 30 2HG ARG 30 5.262 -8.481 -11.518 202 HG3 ARG 30 3HG ARG 30 6.826 -8.330 -12.322 203 HD2 ARG 30 2HD ARG 30 5.880 -11.079 -11.808 204 HD3 ARG 30 3HD ARG 30 4.969 -10.153 -13.001 205 HE ARG 30 HE ARG 30 7.629 -9.830 -13.652 206 HH11 ARG 30 1HH1 ARG 30 5.389 -12.477 -13.346 207 HH12 ARG 30 2HH1 ARG 30 6.174 -13.451 -14.545 208 HH21 ARG 30 1HH2 ARG 30 8.671 -11.102 -15.233 209 HH22 ARG 30 2HH2 ARG 30 8.041 -12.668 -15.617 210 H GLN 31 H GLN 31 9.811 -6.624 -9.575 211 HA GLN 31 HA GLN 31 9.711 -4.538 -8.676 212 HB2 GLN 31 2HB GLN 31 7.979 -4.378 -10.623 213 HB3 GLN 31 3HB GLN 31 6.790 -4.372 -9.327 214 HG2 GLN 31 2HG GLN 31 7.065 -2.167 -9.312 215 HG3 GLN 31 3HG GLN 31 8.583 -2.492 -8.478 216 HE21 GLN 31 1HE2 GLN 31 7.087 -1.471 -11.404 217 HE22 GLN 31 2HE2 GLN 31 8.531 -1.034 -12.246 218 H THR 32 H THR 32 9.979 -5.657 -6.616 219 HA THR 32 HA THR 32 7.602 -5.345 -4.900 220 HB THR 32 HB THR 32 9.792 -7.396 -4.529 221 HG1 THR 32 HG1 THR 32 8.254 -7.742 -6.323 222 HG21 THR 32 3HG2 THR 32 8.986 -7.035 -2.396 223 HG22 THR 32 1HG2 THR 32 7.900 -8.304 -2.961 224 HG23 THR 32 2HG2 THR 32 7.368 -6.622 -2.963 225 H CYS 33 H CYS 33 7.930 -4.540 -2.813 226 HA CYS 33 HA CYS 33 10.198 -2.782 -2.561 227 HB2 CYS 33 2HB CYS 33 7.704 -2.412 -1.820 228 HB3 CYS 33 3HB CYS 33 8.225 -3.233 -0.353 229 H HIS 34 H HIS 34 11.663 -2.747 -0.785 230 HA HIS 34 HA HIS 34 11.805 -4.970 1.029 231 HB2 HIS 34 2HB HIS 34 12.759 -5.922 -1.073 232 HB3 HIS 34 3HB HIS 34 14.005 -4.678 -1.026 233 HD1 HIS 34 HD1 HIS 34 15.882 -6.427 -0.774 234 HD2 HIS 34 HD2 HIS 34 13.072 -6.510 2.285 235 HE1 HIS 34 HE1 HIS 34 16.892 -7.861 1.028 236 H CYS 35 H CYS 35 13.080 -4.543 2.791 237 HA CYS 35 HA CYS 35 14.228 -1.843 2.889 238 HB2 CYS 35 2HB CYS 35 13.184 -3.710 5.008 239 HB3 CYS 35 3HB CYS 35 14.191 -2.326 5.420 240 H TYR 36 H TYR 36 16.355 -1.557 2.997 241 HA TYR 36 HA TYR 36 18.057 -3.912 3.391 242 HB2 TYR 36 2HB TYR 36 18.827 -1.191 2.319 243 HB3 TYR 36 3HB TYR 36 19.811 -2.650 2.295 244 HD1 TYR 36 HD1 TYR 36 18.693 -4.703 1.049 245 HD2 TYR 36 HD2 TYR 36 17.657 -0.626 0.410 246 HE1 TYR 36 HE1 TYR 36 17.779 -5.287 -1.159 247 HE2 TYR 36 HE2 TYR 36 16.738 -1.199 -1.798 248 HH TYR 36 HH TYR 36 15.819 -3.211 -2.944 Start of MODEL 8 1 H1 GLY 1 H GLY 1 1.913 -2.197 -5.565 2 HA2 GLY 1 2HA GLY 1 0.471 -1.689 -3.326 3 HA3 GLY 1 3HA GLY 1 2.114 -1.104 -3.539 4 H PHE 2 H PHE 2 2.477 1.043 -4.074 5 HA PHE 2 HA PHE 2 0.533 2.889 -4.863 6 HB2 PHE 2 2HB PHE 2 0.423 4.133 -2.600 7 HB3 PHE 2 3HB PHE 2 -0.610 2.726 -2.826 8 HD1 PHE 2 HD2 PHE 2 2.884 3.413 -1.695 9 HD2 PHE 2 HD1 PHE 2 -0.765 1.325 -1.028 10 HE1 PHE 2 HE2 PHE 2 3.842 2.392 0.328 11 HE2 PHE 2 HE1 PHE 2 0.187 0.301 0.997 12 HZ PHE 2 HZ PHE 2 2.494 0.833 1.676 13 H GLY 3 H GLY 3 3.297 2.225 -5.312 14 HA2 GLY 3 2HA GLY 3 4.524 4.485 -5.937 15 HA3 GLY 3 3HA GLY 3 4.795 4.472 -4.201 16 H CYS 4 H CYS 4 6.600 4.209 -6.619 17 HA CYS 4 HA CYS 4 8.515 2.519 -5.507 18 HB2 CYS 4 2HB CYS 4 6.505 1.128 -7.038 19 HB3 CYS 4 3HB CYS 4 8.077 0.966 -7.814 20 HA PRO 5 HA PRO 5 9.869 3.620 -10.006 21 HB2 PRO 5 2HB PRO 5 8.003 4.710 -11.648 22 HB3 PRO 5 3HB PRO 5 8.267 2.968 -11.519 23 HG2 PRO 5 2HG PRO 5 6.168 4.666 -10.226 24 HG3 PRO 5 3HG PRO 5 6.005 3.074 -10.991 25 HD2 PRO 5 2HD PRO 5 6.147 3.392 -8.305 26 HD3 PRO 5 3HD PRO 5 6.794 1.961 -9.133 27 H TRP 6 H TRP 6 7.241 5.787 -8.954 28 HA TRP 6 HA TRP 6 9.165 8.018 -9.069 29 HB2 TRP 6 2HB TRP 6 6.784 9.294 -9.250 30 HB3 TRP 6 3HB TRP 6 7.737 8.802 -10.647 31 HD1 TRP 6 HD1 TRP 6 6.737 6.955 -12.213 32 HE1 TRP 6 HE1 TRP 6 4.471 5.738 -12.302 33 HE3 TRP 6 HE3 TRP 6 4.884 8.356 -7.659 34 HZ2 TRP 6 HZ2 TRP 6 2.198 5.415 -10.659 35 HZ3 TRP 6 HZ3 TRP 6 2.656 7.550 -6.993 36 HH2 TRP 6 HH2 TRP 6 1.343 6.111 -8.464 37 H ASN 7 H ASN 7 6.522 6.490 -7.345 38 HA ASN 7 HA ASN 7 6.667 8.446 -5.190 39 HB2 ASN 7 2HB ASN 7 4.726 6.459 -6.102 40 HB3 ASN 7 3HB ASN 7 4.944 6.450 -4.355 41 HD21 ASN 7 1HD2 ASN 7 2.795 7.207 -4.159 42 HD22 ASN 7 2HD2 ASN 7 2.416 8.872 -4.420 43 H ALA 8 H ALA 8 8.855 6.496 -5.864 44 HA ALA 8 HA ALA 8 9.090 4.412 -4.078 45 HB1 ALA 8 1HB ALA 8 10.894 6.001 -5.690 46 HB2 ALA 8 2HB ALA 8 11.646 5.480 -4.182 47 HB3 ALA 8 3HB ALA 8 10.957 4.286 -5.282 48 H TYR 9 H TYR 9 9.467 7.847 -3.506 49 HA TYR 9 HA TYR 9 10.809 7.852 -1.086 50 HB2 TYR 9 2HB TYR 9 9.626 9.760 -2.648 51 HB3 TYR 9 3HB TYR 9 8.580 9.766 -1.233 52 HD1 TYR 9 HD1 TYR 9 12.254 9.641 -1.950 53 HD2 TYR 9 HD2 TYR 9 9.115 11.300 0.395 54 HE1 TYR 9 HE1 TYR 9 13.891 11.034 -0.755 55 HE2 TYR 9 HE2 TYR 9 10.743 12.699 1.595 56 HH TYR 9 HH TYR 9 13.626 12.270 1.951 57 H GLU 10 H GLU 10 7.529 6.947 -1.797 58 HA GLU 10 HA GLU 10 6.516 7.105 0.852 59 HB2 GLU 10 2HB GLU 10 4.954 7.086 -0.957 60 HB3 GLU 10 3HB GLU 10 5.606 5.580 -1.586 61 HG2 GLU 10 2HG GLU 10 4.226 4.386 -0.339 62 HG3 GLU 10 3HG GLU 10 4.736 5.225 1.124 63 H CYS 11 H CYS 11 7.863 4.455 -1.082 64 HA CYS 11 HA CYS 11 7.558 2.511 0.997 65 HB2 CYS 11 2HB CYS 11 7.742 2.143 -1.567 66 HB3 CYS 11 3HB CYS 11 9.479 2.236 -1.298 67 H ASP 12 H ASP 12 9.959 4.845 0.141 68 HA ASP 12 HA ASP 12 12.149 3.628 1.509 69 HB2 ASP 12 2HB ASP 12 12.653 5.214 -0.211 70 HB3 ASP 12 3HB ASP 12 11.656 6.449 0.551 71 H ARG 13 H ARG 13 10.081 6.424 2.307 72 HA ARG 13 HA ARG 13 11.089 6.892 4.860 73 HB2 ARG 13 2HB ARG 13 8.483 7.482 3.512 74 HB3 ARG 13 3HB ARG 13 8.644 7.783 5.237 75 HG2 ARG 13 2HG ARG 13 10.914 8.885 3.942 76 HG3 ARG 13 3HG ARG 13 9.470 9.408 3.072 77 HD2 ARG 13 2HD ARG 13 8.514 10.320 5.059 78 HD3 ARG 13 3HD ARG 13 9.772 9.598 6.061 79 HE ARG 13 HE ARG 13 11.137 11.213 4.349 80 HH11 ARG 13 1HH1 ARG 13 8.491 11.685 6.562 81 HH12 ARG 13 2HH1 ARG 13 8.895 13.336 6.898 82 HH21 ARG 13 1HH2 ARG 13 11.679 13.386 4.783 83 HH22 ARG 13 2HH2 ARG 13 10.708 14.303 5.884 84 H HIS 14 H HIS 14 8.987 4.408 3.711 85 HA HIS 14 HA HIS 14 7.641 3.711 6.060 86 HB2 HIS 14 2HB HIS 14 7.064 2.792 3.856 87 HB3 HIS 14 3HB HIS 14 8.582 1.899 3.827 88 HD1 HIS 14 HD1 HIS 14 5.109 1.632 4.871 89 HD2 HIS 14 HD2 HIS 14 8.712 -0.155 5.911 90 HE1 HIS 14 HE1 HIS 14 4.486 -0.463 6.115 91 H CYS 15 H CYS 15 10.791 2.660 4.819 92 HA CYS 15 HA CYS 15 11.278 1.097 7.226 93 HB2 CYS 15 2HB CYS 15 12.982 1.534 4.764 94 HB3 CYS 15 3HB CYS 15 13.385 0.450 6.092 95 H VAL 16 H VAL 16 12.458 4.007 5.620 96 HA VAL 16 HA VAL 16 14.676 4.598 7.148 97 HB VAL 16 HB VAL 16 12.635 6.549 6.073 98 HG11 VAL 16 1HG1 VAL 16 14.006 7.632 7.730 99 HG12 VAL 16 2HG1 VAL 16 15.473 6.976 7.000 100 HG13 VAL 16 3HG1 VAL 16 14.508 8.169 6.128 101 HG21 VAL 16 3HG2 VAL 16 13.473 6.187 4.043 102 HG22 VAL 16 1HG2 VAL 16 15.126 6.369 4.631 103 HG23 VAL 16 2HG2 VAL 16 14.329 4.798 4.713 104 H SER 17 H SER 17 11.301 4.855 7.988 105 HA SER 17 HA SER 17 11.665 6.510 10.283 106 HB2 SER 17 2HB SER 17 9.493 5.820 8.850 107 HB3 SER 17 3HB SER 17 9.336 4.671 10.178 108 HG SER 17 HG SER 17 9.632 6.582 11.573 109 H LYS 18 H LYS 18 11.580 3.043 9.710 110 HA LYS 18 HA LYS 18 11.520 2.278 12.449 111 HB2 LYS 18 2HB LYS 18 12.095 0.885 9.865 112 HB3 LYS 18 3HB LYS 18 12.510 0.086 11.375 113 HG2 LYS 18 2HG LYS 18 10.423 -0.718 11.225 114 HG3 LYS 18 3HG LYS 18 9.980 0.846 11.914 115 HD2 LYS 18 2HD LYS 18 8.882 1.425 10.064 116 HD3 LYS 18 3HD LYS 18 10.270 1.026 9.048 117 HE2 LYS 18 2HE LYS 18 8.491 -0.359 8.326 118 HE3 LYS 18 3HE LYS 18 9.577 -1.389 9.257 119 HZ1 LYS 18 3HZ LYS 18 7.207 -0.108 10.480 120 HZ2 LYS 18 1HZ LYS 18 8.112 -1.415 11.062 121 HZ3 LYS 18 2HZ LYS 18 7.113 -1.612 9.712 122 H GLY 19 H GLY 19 14.094 2.904 10.128 123 HA2 GLY 19 2HA GLY 19 16.089 3.875 11.433 124 HA3 GLY 19 3HA GLY 19 16.087 2.299 12.210 125 H TYR 20 H TYR 20 15.191 1.196 9.483 126 HA TYR 20 HA TYR 20 17.753 0.361 8.633 127 HB2 TYR 20 2HB TYR 20 15.029 0.153 7.349 128 HB3 TYR 20 3HB TYR 20 16.476 -0.558 6.643 129 HD1 TYR 20 HD2 TYR 20 17.856 -2.092 8.317 130 HD2 TYR 20 HD1 TYR 20 13.720 -1.173 8.712 131 HE1 TYR 20 HE2 TYR 20 17.547 -4.103 9.699 132 HE2 TYR 20 HE1 TYR 20 13.400 -3.181 10.096 133 HH TYR 20 HH TYR 20 15.880 -5.576 10.460 134 H THR 21 H THR 21 18.012 0.463 6.011 135 HA THR 21 HA THR 21 18.868 3.125 5.510 136 HB THR 21 HB THR 21 18.652 0.775 3.619 137 HG1 THR 21 HG1 THR 21 20.152 0.336 5.204 138 HG21 THR 21 3HG2 THR 21 19.919 3.489 3.316 139 HG22 THR 21 1HG2 THR 21 18.746 2.707 2.257 140 HG23 THR 21 2HG2 THR 21 20.402 2.104 2.338 141 H GLY 22 H GLY 22 16.229 1.137 4.194 142 HA2 GLY 22 2HA GLY 22 14.230 2.888 3.995 143 HA3 GLY 22 3HA GLY 22 15.236 3.395 2.646 144 H GLY 23 H GLY 23 12.498 2.168 2.807 145 HA2 GLY 23 2HA GLY 23 12.790 -0.457 1.647 146 HA3 GLY 23 3HA GLY 23 11.289 0.433 1.856 147 H ASN 24 H ASN 24 13.798 -0.442 -0.304 148 HA ASN 24 HA ASN 24 12.684 1.319 -2.383 149 HB2 ASN 24 2HB ASN 24 15.268 -0.156 -2.726 150 HB3 ASN 24 3HB ASN 24 14.755 1.374 -3.431 151 HD21 ASN 24 1HD2 ASN 24 13.977 2.801 -1.265 152 HD22 ASN 24 2HD2 ASN 24 15.322 3.074 -0.216 153 H CYS 25 H CYS 25 12.357 0.445 -4.503 154 HA CYS 25 HA CYS 25 11.552 -2.368 -4.415 155 HB2 CYS 25 2HB CYS 25 10.918 -0.348 -6.568 156 HB3 CYS 25 3HB CYS 25 10.122 -1.890 -6.274 157 H ARG 26 H ARG 26 12.176 -3.859 -5.988 158 HA ARG 26 HA ARG 26 14.160 -3.063 -7.964 159 HB2 ARG 26 2HB ARG 26 14.710 -4.993 -5.714 160 HB3 ARG 26 3HB ARG 26 15.640 -4.997 -7.206 161 HG2 ARG 26 2HG ARG 26 15.352 -2.604 -5.405 162 HG3 ARG 26 3HG ARG 26 16.697 -3.744 -5.341 163 HD2 ARG 26 2HD ARG 26 16.532 -3.069 -8.016 164 HD3 ARG 26 3HD ARG 26 16.194 -1.553 -7.181 165 HE ARG 26 HE ARG 26 18.383 -2.463 -5.899 166 HH11 ARG 26 1HH1 ARG 26 17.626 -2.017 -9.267 167 HH12 ARG 26 2HH1 ARG 26 19.264 -1.694 -9.728 168 HH21 ARG 26 1HH2 ARG 26 20.545 -2.040 -6.492 169 HH22 ARG 26 2HH2 ARG 26 20.924 -1.708 -8.148 170 H GLY 27 H GLY 27 14.898 -5.188 -9.175 171 HA2 GLY 27 2HA GLY 27 12.411 -6.483 -9.995 172 HA3 GLY 27 3HA GLY 27 13.930 -6.497 -10.878 173 H LYS 28 H LYS 28 13.512 -7.300 -7.472 174 HA LYS 28 HA LYS 28 15.075 -9.572 -7.495 175 HB2 LYS 28 2HB LYS 28 13.705 -10.237 -5.436 176 HB3 LYS 28 3HB LYS 28 14.535 -8.687 -5.386 177 HG2 LYS 28 2HG LYS 28 11.805 -8.546 -6.427 178 HG3 LYS 28 3HG LYS 28 11.920 -9.092 -4.752 179 HD2 LYS 28 2HD LYS 28 13.543 -6.737 -5.550 180 HD3 LYS 28 3HD LYS 28 11.798 -6.516 -5.399 181 HE2 LYS 28 2HE LYS 28 12.538 -6.020 -3.266 182 HE3 LYS 28 3HE LYS 28 12.104 -7.722 -3.120 183 HZ1 LYS 28 3HZ LYS 28 14.340 -8.363 -3.183 184 HZ2 LYS 28 1HZ LYS 28 14.315 -7.021 -2.153 185 HZ3 LYS 28 2HZ LYS 28 14.863 -6.856 -3.744 186 H ILE 29 H ILE 29 11.714 -9.206 -8.377 187 HA ILE 29 HA ILE 29 11.733 -11.846 -9.569 188 HB ILE 29 HB ILE 29 9.482 -12.379 -8.488 189 HG12 ILE 29 2HG1 ILE 29 10.509 -10.334 -6.508 190 HG13 ILE 29 3HG1 ILE 29 9.064 -10.179 -7.501 191 HG21 ILE 29 1HG2 ILE 29 11.756 -13.424 -8.004 192 HG22 ILE 29 2HG2 ILE 29 11.779 -12.420 -6.556 193 HG23 ILE 29 3HG2 ILE 29 10.504 -13.619 -6.777 194 HD11 ILE 29 3HD1 ILE 29 9.539 -11.836 -5.083 195 HD12 ILE 29 1HD1 ILE 29 8.155 -10.833 -5.515 196 HD13 ILE 29 2HD1 ILE 29 8.384 -12.401 -6.290 197 H ARG 30 H ARG 30 9.907 -8.912 -8.821 198 HA ARG 30 HA ARG 30 9.245 -8.396 -11.500 199 HB2 ARG 30 2HB ARG 30 6.773 -8.776 -11.350 200 HB3 ARG 30 3HB ARG 30 7.733 -10.248 -11.394 201 HG2 ARG 30 2HG ARG 30 7.394 -10.657 -9.095 202 HG3 ARG 30 3HG ARG 30 6.751 -9.035 -8.829 203 HD2 ARG 30 2HD ARG 30 5.408 -10.932 -10.719 204 HD3 ARG 30 3HD ARG 30 5.109 -11.025 -8.984 205 HE ARG 30 HE ARG 30 4.677 -8.420 -9.522 206 HH11 ARG 30 1HH1 ARG 30 3.507 -11.361 -10.971 207 HH12 ARG 30 2HH1 ARG 30 1.992 -10.674 -11.455 208 HH21 ARG 30 1HH2 ARG 30 2.686 -7.504 -10.153 209 HH22 ARG 30 2HH2 ARG 30 1.526 -8.480 -10.990 210 H GLN 31 H GLN 31 10.313 -6.696 -9.863 211 HA GLN 31 HA GLN 31 10.147 -4.601 -8.993 212 HB2 GLN 31 2HB GLN 31 8.553 -4.429 -11.017 213 HB3 GLN 31 3HB GLN 31 7.260 -4.531 -9.830 214 HG2 GLN 31 2HG GLN 31 7.505 -2.407 -9.236 215 HG3 GLN 31 3HG GLN 31 9.255 -2.564 -9.098 216 HE21 GLN 31 1HE2 GLN 31 9.525 -0.512 -10.018 217 HE22 GLN 31 2HE2 GLN 31 9.332 -0.249 -11.715 218 H THR 32 H THR 32 10.331 -5.710 -6.913 219 HA THR 32 HA THR 32 7.876 -5.409 -5.310 220 HB THR 32 HB THR 32 10.076 -7.432 -4.849 221 HG1 THR 32 HG1 THR 32 8.589 -7.831 -6.657 222 HG21 THR 32 3HG2 THR 32 9.206 -6.960 -2.736 223 HG22 THR 32 1HG2 THR 32 8.252 -8.346 -3.263 224 HG23 THR 32 2HG2 THR 32 7.573 -6.721 -3.356 225 H CYS 33 H CYS 33 8.083 -4.539 -3.244 226 HA CYS 33 HA CYS 33 10.331 -2.772 -2.899 227 HB2 CYS 33 2HB CYS 33 7.675 -2.672 -2.174 228 HB3 CYS 33 3HB CYS 33 8.477 -3.005 -0.642 229 H HIS 34 H HIS 34 11.693 -2.695 -1.046 230 HA HIS 34 HA HIS 34 11.728 -4.872 0.828 231 HB2 HIS 34 2HB HIS 34 12.824 -5.764 -1.305 232 HB3 HIS 34 3HB HIS 34 14.135 -4.635 -0.973 233 HD1 HIS 34 HD1 HIS 34 15.434 -5.039 1.337 234 HD2 HIS 34 HD2 HIS 34 12.953 -8.123 0.072 235 HE1 HIS 34 HE1 HIS 34 16.143 -7.057 2.659 236 H CYS 35 H CYS 35 12.795 -4.340 2.671 237 HA CYS 35 HA CYS 35 13.929 -1.647 2.779 238 HB2 CYS 35 2HB CYS 35 12.902 -3.550 4.877 239 HB3 CYS 35 3HB CYS 35 13.829 -2.115 5.305 240 H TYR 36 H TYR 36 16.027 -1.242 3.128 241 HA TYR 36 HA TYR 36 17.791 -3.547 3.627 242 HB2 TYR 36 2HB TYR 36 18.574 -0.937 2.326 243 HB3 TYR 36 3HB TYR 36 19.507 -2.428 2.385 244 HD1 TYR 36 HD1 TYR 36 16.551 -0.800 0.888 245 HD2 TYR 36 HD2 TYR 36 19.146 -4.171 0.800 246 HE1 TYR 36 HE1 TYR 36 15.580 -1.483 -1.266 247 HE2 TYR 36 HE2 TYR 36 18.183 -4.863 -1.356 248 HH TYR 36 HH TYR 36 16.908 -3.418 -3.351 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -0.431 1.131 1.375 2 HA2 GLY 1 2HA GLY 1 1.644 2.189 0.804 3 HA3 GLY 1 3HA GLY 1 2.087 0.748 -0.100 4 H PHE 2 H PHE 2 2.571 2.755 -1.557 5 HA PHE 2 HA PHE 2 0.876 2.614 -3.772 6 HB2 PHE 2 2HB PHE 2 0.123 5.086 -3.685 7 HB3 PHE 2 3HB PHE 2 -0.777 3.907 -2.735 8 HD1 PHE 2 HD2 PHE 2 2.256 6.044 -2.298 9 HD2 PHE 2 HD1 PHE 2 -1.389 4.595 -0.644 10 HE1 PHE 2 HE2 PHE 2 2.644 7.386 -0.273 11 HE2 PHE 2 HE1 PHE 2 -1.006 5.936 1.383 12 HZ PHE 2 HZ PHE 2 1.013 7.333 1.571 13 H GLY 3 H GLY 3 3.670 2.572 -3.093 14 HA2 GLY 3 2HA GLY 3 4.602 4.454 -5.106 15 HA3 GLY 3 3HA GLY 3 5.271 4.673 -3.496 16 H CYS 4 H CYS 4 6.424 3.804 -6.158 17 HA CYS 4 HA CYS 4 8.377 2.063 -5.196 18 HB2 CYS 4 2HB CYS 4 5.945 0.737 -5.985 19 HB3 CYS 4 3HB CYS 4 7.260 0.261 -7.054 20 HA PRO 5 HA PRO 5 8.758 2.288 -10.000 21 HB2 PRO 5 2HB PRO 5 6.675 3.354 -11.377 22 HB3 PRO 5 3HB PRO 5 6.798 1.631 -11.002 23 HG2 PRO 5 2HG PRO 5 5.221 3.764 -9.615 24 HG3 PRO 5 3HG PRO 5 4.738 2.111 -10.036 25 HD2 PRO 5 2HD PRO 5 5.522 2.809 -7.540 26 HD3 PRO 5 3HD PRO 5 5.824 1.197 -8.220 27 H TRP 6 H TRP 6 6.688 4.909 -8.763 28 HA TRP 6 HA TRP 6 8.728 6.827 -9.683 29 HB2 TRP 6 2HB TRP 6 6.491 8.359 -9.585 30 HB3 TRP 6 3HB TRP 6 7.073 7.561 -11.044 31 HD1 TRP 6 HD1 TRP 6 5.606 5.630 -12.045 32 HE1 TRP 6 HE1 TRP 6 3.269 4.706 -11.485 33 HE3 TRP 6 HE3 TRP 6 4.888 7.921 -7.531 34 HZ2 TRP 6 HZ2 TRP 6 1.373 4.922 -9.405 35 HZ3 TRP 6 HZ3 TRP 6 2.786 7.510 -6.321 36 HH2 TRP 6 HH2 TRP 6 1.065 6.042 -7.241 37 H ASN 7 H ASN 7 6.346 5.989 -7.236 38 HA ASN 7 HA ASN 7 7.194 8.185 -5.523 39 HB2 ASN 7 2HB ASN 7 4.897 6.357 -5.644 40 HB3 ASN 7 3HB ASN 7 5.476 6.670 -4.010 41 HD21 ASN 7 1HD2 ASN 7 3.399 7.692 -3.724 42 HD22 ASN 7 2HD2 ASN 7 3.179 9.329 -4.232 43 H ALA 8 H ALA 8 9.401 7.360 -5.349 44 HA ALA 8 HA ALA 8 9.852 4.890 -3.936 45 HB1 ALA 8 1HB ALA 8 11.398 5.894 -5.669 46 HB2 ALA 8 2HB ALA 8 11.879 7.054 -4.431 47 HB3 ALA 8 3HB ALA 8 12.157 5.331 -4.180 48 H TYR 9 H TYR 9 9.548 8.266 -3.140 49 HA TYR 9 HA TYR 9 10.817 8.321 -0.655 50 HB2 TYR 9 2HB TYR 9 9.165 10.055 -2.183 51 HB3 TYR 9 3HB TYR 9 8.484 9.973 -0.562 52 HD1 TYR 9 HD2 TYR 9 11.782 10.416 -2.262 53 HD2 TYR 9 HD1 TYR 9 9.303 11.413 1.050 54 HE1 TYR 9 HE2 TYR 9 13.486 12.004 -1.472 55 HE2 TYR 9 HE1 TYR 9 11.000 13.004 1.849 56 HH TYR 9 HH TYR 9 13.067 13.791 1.562 57 H GLU 10 H GLU 10 7.737 7.021 -1.612 58 HA GLU 10 HA GLU 10 6.596 6.859 0.991 59 HB2 GLU 10 2HB GLU 10 5.190 6.800 -0.994 60 HB3 GLU 10 3HB GLU 10 5.975 5.323 -1.537 61 HG2 GLU 10 2HG GLU 10 3.774 4.907 -0.552 62 HG3 GLU 10 3HG GLU 10 5.068 4.102 0.334 63 H CYS 11 H CYS 11 7.797 4.256 -1.137 64 HA CYS 11 HA CYS 11 7.854 2.286 0.862 65 HB2 CYS 11 2HB CYS 11 8.041 2.118 -1.754 66 HB3 CYS 11 3HB CYS 11 9.771 2.206 -1.437 67 H ASP 12 H ASP 12 10.141 4.752 -0.037 68 HA ASP 12 HA ASP 12 12.392 3.633 1.306 69 HB2 ASP 12 2HB ASP 12 12.850 5.224 -0.399 70 HB3 ASP 12 3HB ASP 12 11.757 6.408 0.312 71 H ARG 13 H ARG 13 10.446 6.513 2.122 72 HA ARG 13 HA ARG 13 11.427 6.840 4.706 73 HB2 ARG 13 2HB ARG 13 8.747 7.580 3.526 74 HB3 ARG 13 3HB ARG 13 9.284 8.097 5.119 75 HG2 ARG 13 2HG ARG 13 11.282 8.692 3.136 76 HG3 ARG 13 3HG ARG 13 9.720 9.378 2.684 77 HD2 ARG 13 2HD ARG 13 10.674 9.691 5.489 78 HD3 ARG 13 3HD ARG 13 11.392 10.696 4.230 79 HE ARG 13 HE ARG 13 8.522 10.704 4.198 80 HH11 ARG 13 1HH1 ARG 13 11.365 12.134 5.609 81 HH12 ARG 13 2HH1 ARG 13 10.573 13.619 6.022 82 HH21 ARG 13 1HH2 ARG 13 7.468 12.653 4.736 83 HH22 ARG 13 2HH2 ARG 13 8.355 13.913 5.525 84 H HIS 14 H HIS 14 9.159 4.562 3.459 85 HA HIS 14 HA HIS 14 7.663 3.936 5.721 86 HB2 HIS 14 2HB HIS 14 7.105 3.023 3.545 87 HB3 HIS 14 3HB HIS 14 8.621 2.128 3.493 88 HD1 HIS 14 HD1 HIS 14 5.153 1.934 4.702 89 HD2 HIS 14 HD2 HIS 14 8.727 -0.091 5.320 90 HE1 HIS 14 HE1 HIS 14 4.517 -0.224 5.826 91 H CYS 15 H CYS 15 10.825 2.715 4.687 92 HA CYS 15 HA CYS 15 11.065 1.121 7.112 93 HB2 CYS 15 2HB CYS 15 12.989 1.480 4.804 94 HB3 CYS 15 3HB CYS 15 13.177 0.332 6.125 95 H VAL 16 H VAL 16 12.363 4.042 5.673 96 HA VAL 16 HA VAL 16 14.571 4.528 7.249 97 HB VAL 16 HB VAL 16 12.562 6.583 6.315 98 HG11 VAL 16 1HG1 VAL 16 15.278 6.767 7.518 99 HG12 VAL 16 2HG1 VAL 16 14.823 7.933 6.274 100 HG13 VAL 16 3HG1 VAL 16 13.867 7.798 7.751 101 HG21 VAL 16 3HG2 VAL 16 14.900 6.533 4.719 102 HG22 VAL 16 1HG2 VAL 16 14.308 4.877 4.852 103 HG23 VAL 16 2HG2 VAL 16 13.245 6.148 4.247 104 H SER 17 H SER 17 11.192 4.771 8.078 105 HA SER 17 HA SER 17 11.605 6.252 10.497 106 HB2 SER 17 2HB SER 17 9.455 6.207 9.160 107 HB3 SER 17 3HB SER 17 9.193 4.577 9.780 108 HG SER 17 HG SER 17 8.195 5.771 11.260 109 H LYS 18 H LYS 18 11.302 2.861 9.628 110 HA LYS 18 HA LYS 18 11.119 1.874 12.289 111 HB2 LYS 18 2HB LYS 18 11.672 0.663 9.609 112 HB3 LYS 18 3HB LYS 18 11.976 -0.285 11.058 113 HG2 LYS 18 2HG LYS 18 9.843 -0.914 10.797 114 HG3 LYS 18 3HG LYS 18 9.488 0.627 11.580 115 HD2 LYS 18 2HD LYS 18 8.541 1.444 9.731 116 HD3 LYS 18 3HD LYS 18 9.899 0.933 8.726 117 HE2 LYS 18 2HE LYS 18 8.091 -0.261 7.866 118 HE3 LYS 18 3HE LYS 18 8.895 -1.422 8.922 119 HZ1 LYS 18 3HZ LYS 18 6.317 -0.080 9.257 120 HZ2 LYS 18 1HZ LYS 18 7.208 -0.432 10.651 121 HZ3 LYS 18 2HZ LYS 18 6.755 -1.677 9.600 122 H GLY 19 H GLY 19 13.788 2.510 10.080 123 HA2 GLY 19 2HA GLY 19 15.778 3.190 11.652 124 HA3 GLY 19 3HA GLY 19 15.705 1.477 12.039 125 H TYR 20 H TYR 20 15.097 0.489 9.469 126 HA TYR 20 HA TYR 20 17.605 0.091 8.390 127 HB2 TYR 20 2HB TYR 20 15.030 0.026 6.811 128 HB3 TYR 20 3HB TYR 20 16.508 -0.866 6.471 129 HD1 TYR 20 HD1 TYR 20 17.276 -2.564 8.268 130 HD2 TYR 20 HD2 TYR 20 13.339 -0.962 8.070 131 HE1 TYR 20 HE1 TYR 20 16.446 -4.456 9.603 132 HE2 TYR 20 HE2 TYR 20 12.498 -2.849 9.405 133 HH TYR 20 HH TYR 20 14.577 -5.552 10.279 134 H THR 21 H THR 21 18.374 0.709 6.193 135 HA THR 21 HA THR 21 18.754 3.466 5.992 136 HB THR 21 HB THR 21 20.243 1.735 4.978 137 HG1 THR 21 HG1 THR 21 20.935 3.219 3.596 138 HG21 THR 21 3HG2 THR 21 18.158 0.579 3.902 139 HG22 THR 21 1HG2 THR 21 19.706 0.566 3.058 140 HG23 THR 21 2HG2 THR 21 18.453 1.713 2.584 141 H GLY 22 H GLY 22 16.301 1.391 4.614 142 HA2 GLY 22 2HA GLY 22 14.250 2.979 4.240 143 HA3 GLY 22 3HA GLY 22 15.285 3.583 2.954 144 H GLY 23 H GLY 23 12.660 2.291 2.782 145 HA2 GLY 23 2HA GLY 23 13.211 -0.321 1.626 146 HA3 GLY 23 3HA GLY 23 11.631 0.426 1.813 147 H ASN 24 H ASN 24 13.758 -0.606 -0.422 148 HA ASN 24 HA ASN 24 12.834 1.368 -2.405 149 HB2 ASN 24 2HB ASN 24 15.342 -0.190 -2.868 150 HB3 ASN 24 3HB ASN 24 14.893 1.410 -3.453 151 HD21 ASN 24 1HD2 ASN 24 14.261 2.757 -1.218 152 HD22 ASN 24 2HD2 ASN 24 15.628 2.874 -0.168 153 H CYS 25 H CYS 25 12.235 0.595 -4.442 154 HA CYS 25 HA CYS 25 11.626 -2.280 -4.499 155 HB2 CYS 25 2HB CYS 25 10.392 -0.115 -6.207 156 HB3 CYS 25 3HB CYS 25 9.822 -1.768 -5.999 157 H ARG 26 H ARG 26 12.243 -3.560 -6.188 158 HA ARG 26 HA ARG 26 13.621 -2.340 -8.458 159 HB2 ARG 26 2HB ARG 26 14.876 -4.607 -6.912 160 HB3 ARG 26 3HB ARG 26 15.583 -3.683 -8.231 161 HG2 ARG 26 2HG ARG 26 15.189 -1.677 -6.550 162 HG3 ARG 26 3HG ARG 26 15.283 -2.983 -5.367 163 HD2 ARG 26 2HD ARG 26 17.388 -3.507 -7.070 164 HD3 ARG 26 3HD ARG 26 17.381 -1.747 -6.960 165 HE ARG 26 HE ARG 26 17.159 -2.614 -4.374 166 HH11 ARG 26 1HH1 ARG 26 19.420 -3.112 -6.974 167 HH12 ARG 26 2HH1 ARG 26 20.780 -3.334 -5.924 168 HH21 ARG 26 1HH2 ARG 26 18.942 -2.903 -2.981 169 HH22 ARG 26 2HH2 ARG 26 20.507 -3.215 -3.652 170 H GLY 27 H GLY 27 14.529 -4.509 -9.767 171 HA2 GLY 27 2HA GLY 27 12.035 -5.873 -10.451 172 HA3 GLY 27 3HA GLY 27 13.493 -5.823 -11.430 173 H LYS 28 H LYS 28 13.607 -6.605 -8.036 174 HA LYS 28 HA LYS 28 15.097 -8.911 -8.318 175 HB2 LYS 28 2HB LYS 28 14.204 -9.499 -6.009 176 HB3 LYS 28 3HB LYS 28 14.990 -7.934 -6.169 177 HG2 LYS 28 2HG LYS 28 12.206 -7.623 -6.698 178 HG3 LYS 28 3HG LYS 28 12.413 -8.504 -5.182 179 HD2 LYS 28 2HD LYS 28 13.736 -5.882 -5.882 180 HD3 LYS 28 3HD LYS 28 12.327 -6.072 -4.835 181 HE2 LYS 28 2HE LYS 28 15.124 -7.086 -4.361 182 HE3 LYS 28 3HE LYS 28 14.257 -5.856 -3.442 183 HZ1 LYS 28 3HZ LYS 28 12.677 -7.569 -2.750 184 HZ2 LYS 28 1HZ LYS 28 14.254 -7.948 -2.267 185 HZ3 LYS 28 2HZ LYS 28 13.562 -8.740 -3.591 186 H ILE 29 H ILE 29 11.594 -8.532 -8.290 187 HA ILE 29 HA ILE 29 11.300 -11.114 -9.565 188 HB ILE 29 HB ILE 29 9.464 -11.755 -7.908 189 HG12 ILE 29 2HG1 ILE 29 10.915 -10.392 -5.748 190 HG13 ILE 29 3HG1 ILE 29 10.028 -9.303 -6.810 191 HG21 ILE 29 1HG2 ILE 29 12.209 -11.835 -6.702 192 HG22 ILE 29 2HG2 ILE 29 10.945 -13.063 -6.660 193 HG23 ILE 29 3HG2 ILE 29 11.814 -12.743 -8.161 194 HD11 ILE 29 3HD1 ILE 29 8.882 -10.271 -4.703 195 HD12 ILE 29 1HD1 ILE 29 7.986 -10.182 -6.220 196 HD13 ILE 29 2HD1 ILE 29 8.679 -11.716 -5.693 197 H ARG 30 H ARG 30 10.769 -9.210 -11.069 198 HA ARG 30 HA ARG 30 9.207 -8.161 -12.348 199 HB2 ARG 30 2HB ARG 30 7.118 -9.645 -10.756 200 HB3 ARG 30 3HB ARG 30 6.974 -9.009 -12.389 201 HG2 ARG 30 2HG ARG 30 7.585 -10.981 -13.177 202 HG3 ARG 30 3HG ARG 30 9.161 -10.779 -12.408 203 HD2 ARG 30 2HD ARG 30 8.388 -12.794 -11.538 204 HD3 ARG 30 3HD ARG 30 7.994 -11.626 -10.278 205 HE ARG 30 HE ARG 30 5.854 -12.047 -12.141 206 HH11 ARG 30 1HH1 ARG 30 7.393 -13.238 -9.254 207 HH12 ARG 30 2HH1 ARG 30 5.967 -14.025 -8.662 208 HH21 ARG 30 1HH2 ARG 30 3.971 -13.079 -11.372 209 HH22 ARG 30 2HH2 ARG 30 4.022 -13.934 -9.868 210 H GLN 31 H GLN 31 10.140 -6.520 -10.564 211 HA GLN 31 HA GLN 31 9.741 -4.576 -9.451 212 HB2 GLN 31 2HB GLN 31 6.841 -4.898 -10.213 213 HB3 GLN 31 3HB GLN 31 7.698 -3.407 -9.845 214 HG2 GLN 31 2HG GLN 31 8.027 -3.144 -12.014 215 HG3 GLN 31 3HG GLN 31 9.099 -4.542 -11.967 216 HE21 GLN 31 1HE2 GLN 31 5.656 -3.729 -12.177 217 HE22 GLN 31 2HE2 GLN 31 5.250 -4.986 -13.290 218 H THR 32 H THR 32 10.027 -4.828 -7.332 219 HA THR 32 HA THR 32 7.746 -5.332 -5.642 220 HB THR 32 HB THR 32 10.096 -7.232 -5.518 221 HG1 THR 32 HG1 THR 32 7.370 -7.709 -6.212 222 HG21 THR 32 3HG2 THR 32 9.435 -7.109 -3.319 223 HG22 THR 32 1HG2 THR 32 8.347 -8.366 -3.905 224 HG23 THR 32 2HG2 THR 32 7.768 -6.710 -3.729 225 H CYS 33 H CYS 33 8.042 -4.627 -3.524 226 HA CYS 33 HA CYS 33 10.253 -2.792 -3.168 227 HB2 CYS 33 2HB CYS 33 7.683 -2.568 -2.483 228 HB3 CYS 33 3HB CYS 33 8.282 -3.286 -0.991 229 H HIS 34 H HIS 34 11.696 -2.812 -1.402 230 HA HIS 34 HA HIS 34 11.783 -5.045 0.404 231 HB2 HIS 34 2HB HIS 34 12.797 -5.830 -1.842 232 HB3 HIS 34 3HB HIS 34 14.155 -4.787 -1.429 233 HD1 HIS 34 HD1 HIS 34 12.185 -7.522 0.357 234 HD2 HIS 34 HD2 HIS 34 16.081 -6.173 -0.157 235 HE1 HIS 34 HE1 HIS 34 13.628 -9.126 1.649 236 H CYS 35 H CYS 35 12.875 -4.546 2.230 237 HA CYS 35 HA CYS 35 14.190 -1.923 2.299 238 HB2 CYS 35 2HB CYS 35 12.972 -3.624 4.479 239 HB3 CYS 35 3HB CYS 35 13.888 -2.154 4.796 240 H TYR 36 H TYR 36 16.283 -1.684 2.868 241 HA TYR 36 HA TYR 36 17.765 -3.739 4.213 242 HB2 TYR 36 2HB TYR 36 19.267 -4.352 2.474 243 HB3 TYR 36 3HB TYR 36 17.648 -4.526 1.806 244 HD1 TYR 36 HD2 TYR 36 16.768 -2.734 0.271 245 HD2 TYR 36 HD1 TYR 36 20.841 -2.889 1.493 246 HE1 TYR 36 HE2 TYR 36 17.381 -1.266 -1.605 247 HE2 TYR 36 HE1 TYR 36 21.465 -1.421 -0.379 248 HH TYR 36 HH TYR 36 20.656 -0.025 -1.973 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -0.626 0.356 0.006 2 HA2 GLY 1 2HA GLY 1 1.868 -0.396 -1.380 3 HA3 GLY 1 3HA GLY 1 0.420 -1.378 -1.544 4 H PHE 2 H PHE 2 1.907 1.700 -2.312 5 HA PHE 2 HA PHE 2 0.444 1.866 -4.767 6 HB2 PHE 2 2HB PHE 2 -0.790 3.867 -4.377 7 HB3 PHE 2 3HB PHE 2 -1.170 2.781 -3.044 8 HD1 PHE 2 HD2 PHE 2 0.552 3.054 -0.988 9 HD2 PHE 2 HD1 PHE 2 -0.432 6.057 -3.839 10 HE1 PHE 2 HE2 PHE 2 1.221 4.793 0.618 11 HE2 PHE 2 HE1 PHE 2 0.237 7.802 -2.237 12 HZ PHE 2 HZ PHE 2 1.063 7.170 -0.005 13 H GLY 3 H GLY 3 3.207 1.817 -3.778 14 HA2 GLY 3 2HA GLY 3 4.209 3.985 -5.408 15 HA3 GLY 3 3HA GLY 3 4.618 4.121 -3.705 16 H CYS 4 H CYS 4 6.229 3.616 -6.211 17 HA CYS 4 HA CYS 4 8.195 1.980 -5.105 18 HB2 CYS 4 2HB CYS 4 6.056 0.516 -6.371 19 HB3 CYS 4 3HB CYS 4 7.565 0.258 -7.241 20 HA PRO 5 HA PRO 5 9.234 2.688 -9.764 21 HB2 PRO 5 2HB PRO 5 7.269 3.682 -11.353 22 HB3 PRO 5 3HB PRO 5 7.517 1.950 -11.100 23 HG2 PRO 5 2HG PRO 5 5.543 3.790 -9.804 24 HG3 PRO 5 3HG PRO 5 5.301 2.146 -10.423 25 HD2 PRO 5 2HD PRO 5 5.642 2.676 -7.790 26 HD3 PRO 5 3HD PRO 5 6.206 1.169 -8.541 27 H TRP 6 H TRP 6 6.723 4.987 -8.706 28 HA TRP 6 HA TRP 6 8.667 7.160 -9.138 29 HB2 TRP 6 2HB TRP 6 6.298 8.467 -9.256 30 HB3 TRP 6 3HB TRP 6 7.144 7.847 -10.671 31 HD1 TRP 6 HD1 TRP 6 6.010 5.902 -12.012 32 HE1 TRP 6 HE1 TRP 6 3.726 4.727 -11.848 33 HE3 TRP 6 HE3 TRP 6 4.500 7.695 -7.468 34 HZ2 TRP 6 HZ2 TRP 6 1.570 4.580 -10.032 35 HZ3 TRP 6 HZ3 TRP 6 2.314 6.988 -6.590 36 HH2 TRP 6 HH2 TRP 6 0.880 5.463 -7.847 37 H ASN 7 H ASN 7 6.127 5.834 -7.117 38 HA ASN 7 HA ASN 7 6.457 7.952 -5.144 39 HB2 ASN 7 2HB ASN 7 4.424 5.938 -5.751 40 HB3 ASN 7 3HB ASN 7 4.761 6.078 -4.029 41 HD21 ASN 7 1HD2 ASN 7 2.609 6.876 -3.818 42 HD22 ASN 7 2HD2 ASN 7 2.252 8.528 -4.178 43 H ALA 8 H ALA 8 8.570 5.930 -5.797 44 HA ALA 8 HA ALA 8 8.899 3.975 -3.886 45 HB1 ALA 8 1HB ALA 8 11.453 4.965 -4.199 46 HB2 ALA 8 2HB ALA 8 10.671 3.759 -5.221 47 HB3 ALA 8 3HB ALA 8 10.635 5.461 -5.682 48 H TYR 9 H TYR 9 9.309 7.435 -3.569 49 HA TYR 9 HA TYR 9 10.802 7.603 -1.247 50 HB2 TYR 9 2HB TYR 9 9.139 9.350 -2.791 51 HB3 TYR 9 3HB TYR 9 8.782 9.589 -1.084 52 HD1 TYR 9 HD1 TYR 9 11.580 9.499 -3.530 53 HD2 TYR 9 HD2 TYR 9 10.216 10.861 0.263 54 HE1 TYR 9 HE1 TYR 9 13.596 10.890 -3.312 55 HE2 TYR 9 HE2 TYR 9 12.228 12.257 0.491 56 HH TYR 9 HH TYR 9 14.005 13.294 -1.675 57 H GLU 10 H GLU 10 7.486 6.652 -1.682 58 HA GLU 10 HA GLU 10 6.612 6.999 0.986 59 HB2 GLU 10 2HB GLU 10 5.294 6.496 -1.248 60 HB3 GLU 10 3HB GLU 10 5.492 4.827 -0.733 61 HG2 GLU 10 2HG GLU 10 3.992 7.041 0.607 62 HG3 GLU 10 3HG GLU 10 3.418 5.450 0.112 63 H CYS 11 H CYS 11 7.709 4.094 -0.763 64 HA CYS 11 HA CYS 11 7.624 2.374 1.467 65 HB2 CYS 11 2HB CYS 11 7.843 1.861 -1.094 66 HB3 CYS 11 3HB CYS 11 9.572 1.957 -0.773 67 H ASP 12 H ASP 12 9.942 4.712 0.412 68 HA ASP 12 HA ASP 12 12.186 3.688 1.835 69 HB2 ASP 12 2HB ASP 12 12.733 5.166 0.097 70 HB3 ASP 12 3HB ASP 12 11.524 6.346 0.596 71 H ARG 13 H ARG 13 10.195 6.582 2.478 72 HA ARG 13 HA ARG 13 11.159 7.129 5.014 73 HB2 ARG 13 2HB ARG 13 8.466 7.632 3.760 74 HB3 ARG 13 3HB ARG 13 8.864 8.199 5.376 75 HG2 ARG 13 2HG ARG 13 10.991 9.037 3.796 76 HG3 ARG 13 3HG ARG 13 9.554 9.314 2.809 77 HD2 ARG 13 2HD ARG 13 8.564 10.677 4.481 78 HD3 ARG 13 3HD ARG 13 9.769 10.200 5.676 79 HE ARG 13 HE ARG 13 10.022 12.251 3.691 80 HH11 ARG 13 1HH1 ARG 13 11.769 9.965 5.652 81 HH12 ARG 13 2HH1 ARG 13 13.245 10.872 5.625 82 HH21 ARG 13 1HH2 ARG 13 11.960 13.454 3.649 83 HH22 ARG 13 2HH2 ARG 13 13.352 12.857 4.486 84 H HIS 14 H HIS 14 8.894 4.704 3.980 85 HA HIS 14 HA HIS 14 7.655 4.144 6.440 86 HB2 HIS 14 2HB HIS 14 6.737 3.267 4.387 87 HB3 HIS 14 3HB HIS 14 8.211 2.360 4.063 88 HD1 HIS 14 HD1 HIS 14 5.350 2.433 6.549 89 HD2 HIS 14 HD2 HIS 14 8.228 -0.173 5.070 90 HE1 HIS 14 HE1 HIS 14 4.790 0.186 7.529 91 H CYS 15 H CYS 15 10.646 2.957 4.988 92 HA CYS 15 HA CYS 15 11.166 1.238 7.279 93 HB2 CYS 15 2HB CYS 15 11.864 1.140 4.569 94 HB3 CYS 15 3HB CYS 15 13.370 1.480 5.415 95 H VAL 16 H VAL 16 12.181 4.292 5.936 96 HA VAL 16 HA VAL 16 14.575 4.672 7.332 97 HB VAL 16 HB VAL 16 12.552 6.751 6.486 98 HG11 VAL 16 1HG1 VAL 16 15.270 6.935 7.674 99 HG12 VAL 16 2HG1 VAL 16 14.827 8.097 6.421 100 HG13 VAL 16 3HG1 VAL 16 13.866 7.977 7.896 101 HG21 VAL 16 3HG2 VAL 16 13.200 6.316 4.406 102 HG22 VAL 16 1HG2 VAL 16 14.853 6.744 4.849 103 HG23 VAL 16 2HG2 VAL 16 14.308 5.072 4.987 104 H SER 17 H SER 17 11.284 4.807 8.389 105 HA SER 17 HA SER 17 11.817 6.330 10.772 106 HB2 SER 17 2HB SER 17 9.434 5.325 11.334 107 HB3 SER 17 3HB SER 17 9.613 6.613 10.142 108 HG SER 17 HG SER 17 8.403 4.462 9.676 109 H LYS 18 H LYS 18 11.557 2.943 9.898 110 HA LYS 18 HA LYS 18 11.487 1.905 12.534 111 HB2 LYS 18 2HB LYS 18 12.039 0.790 9.820 112 HB3 LYS 18 3HB LYS 18 12.488 -0.168 11.225 113 HG2 LYS 18 2HG LYS 18 10.395 -0.961 10.973 114 HG3 LYS 18 3HG LYS 18 9.986 0.469 11.923 115 HD2 LYS 18 2HD LYS 18 8.923 1.443 10.204 116 HD3 LYS 18 3HD LYS 18 10.176 0.979 9.050 117 HE2 LYS 18 2HE LYS 18 8.417 -0.259 8.265 118 HE3 LYS 18 3HE LYS 18 9.138 -1.413 9.385 119 HZ1 LYS 18 3HZ LYS 18 6.872 0.386 10.051 120 HZ2 LYS 18 1HZ LYS 18 7.518 -0.827 11.036 121 HZ3 LYS 18 2HZ LYS 18 6.710 -1.238 9.609 122 H GLY 19 H GLY 19 14.108 2.664 10.294 123 HA2 GLY 19 2HA GLY 19 16.080 3.465 11.817 124 HA3 GLY 19 3HA GLY 19 16.079 1.767 12.271 125 H TYR 20 H TYR 20 15.296 0.968 9.516 126 HA TYR 20 HA TYR 20 17.883 0.516 8.495 127 HB2 TYR 20 2HB TYR 20 15.244 0.296 7.033 128 HB3 TYR 20 3HB TYR 20 16.760 -0.465 6.566 129 HD1 TYR 20 HD2 TYR 20 17.744 -2.230 8.087 130 HD2 TYR 20 HD1 TYR 20 13.786 -0.745 8.563 131 HE1 TYR 20 HE2 TYR 20 17.170 -4.209 9.431 132 HE2 TYR 20 HE1 TYR 20 13.200 -2.719 9.909 133 HH TYR 20 HH TYR 20 15.476 -5.379 10.355 134 H THR 21 H THR 21 18.526 1.088 6.217 135 HA THR 21 HA THR 21 18.819 3.862 5.967 136 HB THR 21 HB THR 21 20.353 2.171 4.956 137 HG1 THR 21 HG1 THR 21 20.297 4.402 4.256 138 HG21 THR 21 3HG2 THR 21 18.447 2.009 2.647 139 HG22 THR 21 1HG2 THR 21 18.343 0.860 3.980 140 HG23 THR 21 2HG2 THR 21 19.823 0.974 3.028 141 H GLY 22 H GLY 22 16.419 1.665 4.690 142 HA2 GLY 22 2HA GLY 22 14.303 3.177 4.332 143 HA3 GLY 22 3HA GLY 22 15.284 3.771 3.000 144 H GLY 23 H GLY 23 12.687 2.281 3.093 145 HA2 GLY 23 2HA GLY 23 13.338 -0.287 1.901 146 HA3 GLY 23 3HA GLY 23 11.727 0.345 2.205 147 H ASN 24 H ASN 24 13.922 -0.417 -0.158 148 HA ASN 24 HA ASN 24 12.642 1.406 -2.087 149 HB2 ASN 24 2HB ASN 24 15.238 0.043 -2.688 150 HB3 ASN 24 3HB ASN 24 14.615 1.576 -3.292 151 HD21 ASN 24 1HD2 ASN 24 13.991 2.922 -1.041 152 HD22 ASN 24 2HD2 ASN 24 15.408 3.202 -0.093 153 H CYS 25 H CYS 25 12.267 0.547 -4.236 154 HA CYS 25 HA CYS 25 11.567 -2.301 -4.132 155 HB2 CYS 25 2HB CYS 25 10.615 -0.161 -6.048 156 HB3 CYS 25 3HB CYS 25 10.023 -1.817 -5.966 157 H ARG 26 H ARG 26 12.173 -3.732 -5.743 158 HA ARG 26 HA ARG 26 13.919 -2.774 -7.877 159 HB2 ARG 26 2HB ARG 26 14.734 -4.740 -5.744 160 HB3 ARG 26 3HB ARG 26 15.529 -4.677 -7.311 161 HG2 ARG 26 2HG ARG 26 15.667 -2.083 -6.617 162 HG3 ARG 26 3HG ARG 26 15.700 -2.837 -5.021 163 HD2 ARG 26 2HD ARG 26 17.661 -4.012 -5.486 164 HD3 ARG 26 3HD ARG 26 17.473 -3.818 -7.228 165 HE ARG 26 HE ARG 26 17.769 -1.280 -6.112 166 HH11 ARG 26 1HH1 ARG 26 19.620 -4.197 -6.540 167 HH12 ARG 26 2HH1 ARG 26 21.146 -3.377 -6.590 168 HH21 ARG 26 1HH2 ARG 26 19.771 -0.189 -6.176 169 HH22 ARG 26 2HH2 ARG 26 21.230 -1.097 -6.382 170 H GLY 27 H GLY 27 14.648 -4.836 -9.210 171 HA2 GLY 27 2HA GLY 27 12.154 -6.198 -9.888 172 HA3 GLY 27 3HA GLY 27 13.606 -6.133 -10.876 173 H LYS 28 H LYS 28 13.391 -7.067 -7.478 174 HA LYS 28 HA LYS 28 15.055 -9.260 -7.651 175 HB2 LYS 28 2HB LYS 28 13.808 -10.063 -5.565 176 HB3 LYS 28 3HB LYS 28 14.566 -8.478 -5.490 177 HG2 LYS 28 2HG LYS 28 11.792 -8.426 -6.412 178 HG3 LYS 28 3HG LYS 28 12.001 -9.032 -4.767 179 HD2 LYS 28 2HD LYS 28 13.485 -6.575 -5.525 180 HD3 LYS 28 3HD LYS 28 11.739 -6.439 -5.307 181 HE2 LYS 28 2HE LYS 28 12.464 -6.019 -3.173 182 HE3 LYS 28 3HE LYS 28 12.231 -7.765 -3.097 183 HZ1 LYS 28 3HZ LYS 28 14.375 -8.055 -2.676 184 HZ2 LYS 28 1HZ LYS 28 14.538 -6.378 -2.526 185 HZ3 LYS 28 2HZ LYS 28 14.842 -7.127 -4.011 186 H ILE 29 H ILE 29 11.616 -9.041 -8.300 187 HA ILE 29 HA ILE 29 11.710 -11.628 -9.616 188 HB ILE 29 HB ILE 29 9.662 -12.438 -8.477 189 HG12 ILE 29 2HG1 ILE 29 9.593 -11.194 -6.051 190 HG13 ILE 29 3HG1 ILE 29 9.962 -9.840 -7.113 191 HG21 ILE 29 1HG2 ILE 29 10.772 -13.207 -6.456 192 HG22 ILE 29 2HG2 ILE 29 11.887 -13.232 -7.821 193 HG23 ILE 29 3HG2 ILE 29 11.988 -11.942 -6.624 194 HD11 ILE 29 3HD1 ILE 29 7.917 -11.207 -8.400 195 HD12 ILE 29 1HD1 ILE 29 7.475 -11.227 -6.693 196 HD13 ILE 29 2HD1 ILE 29 7.790 -9.693 -7.505 197 H ARG 30 H ARG 30 9.836 -8.775 -8.717 198 HA ARG 30 HA ARG 30 9.014 -8.236 -11.347 199 HB2 ARG 30 2HB ARG 30 7.592 -10.326 -10.535 200 HB3 ARG 30 3HB ARG 30 6.629 -9.073 -9.764 201 HG2 ARG 30 2HG ARG 30 5.576 -9.362 -11.800 202 HG3 ARG 30 3HG ARG 30 6.613 -7.964 -12.090 203 HD2 ARG 30 2HD ARG 30 7.660 -9.034 -13.731 204 HD3 ARG 30 3HD ARG 30 8.072 -10.359 -12.644 205 HE ARG 30 HE ARG 30 5.384 -10.581 -13.492 206 HH11 ARG 30 1HH1 ARG 30 8.653 -10.993 -14.618 207 HH12 ARG 30 2HH1 ARG 30 8.236 -12.201 -15.788 208 HH21 ARG 30 1HH2 ARG 30 4.823 -12.170 -15.030 209 HH22 ARG 30 2HH2 ARG 30 6.057 -12.869 -16.022 210 H GLN 31 H GLN 31 10.128 -6.551 -9.701 211 HA GLN 31 HA GLN 31 9.956 -4.480 -8.778 212 HB2 GLN 31 2HB GLN 31 8.314 -4.268 -10.743 213 HB3 GLN 31 3HB GLN 31 7.045 -4.463 -9.541 214 HG2 GLN 31 2HG GLN 31 8.326 -2.518 -8.337 215 HG3 GLN 31 3HG GLN 31 8.929 -2.203 -9.963 216 HE21 GLN 31 1HE2 GLN 31 5.916 -2.795 -8.199 217 HE22 GLN 31 2HE2 GLN 31 4.951 -1.711 -9.135 218 H THR 32 H THR 32 10.239 -5.571 -6.719 219 HA THR 32 HA THR 32 7.831 -5.363 -5.033 220 HB THR 32 HB THR 32 10.073 -7.359 -4.663 221 HG1 THR 32 HG1 THR 32 8.391 -8.870 -5.260 222 HG21 THR 32 3HG2 THR 32 8.208 -8.332 -3.111 223 HG22 THR 32 1HG2 THR 32 7.613 -6.673 -3.108 224 HG23 THR 32 2HG2 THR 32 9.242 -7.027 -2.531 225 H CYS 33 H CYS 33 8.111 -4.567 -2.936 226 HA CYS 33 HA CYS 33 10.328 -2.752 -2.639 227 HB2 CYS 33 2HB CYS 33 7.678 -2.910 -1.666 228 HB3 CYS 33 3HB CYS 33 8.732 -2.964 -0.257 229 H HIS 34 H HIS 34 11.768 -2.695 -0.843 230 HA HIS 34 HA HIS 34 11.947 -4.931 0.952 231 HB2 HIS 34 2HB HIS 34 12.971 -5.723 -1.253 232 HB3 HIS 34 3HB HIS 34 14.260 -4.563 -0.947 233 HD1 HIS 34 HD1 HIS 34 16.178 -6.056 -0.385 234 HD2 HIS 34 HD2 HIS 34 12.736 -7.050 1.719 235 HE1 HIS 34 HE1 HIS 34 16.883 -7.820 1.263 236 H CYS 35 H CYS 35 13.300 -4.541 2.697 237 HA CYS 35 HA CYS 35 14.188 -1.766 2.941 238 HB2 CYS 35 2HB CYS 35 13.498 -3.931 4.896 239 HB3 CYS 35 3HB CYS 35 14.514 -2.588 5.409 240 H TYR 36 H TYR 36 16.270 -1.176 3.133 241 HA TYR 36 HA TYR 36 18.285 -3.325 3.222 242 HB2 TYR 36 2HB TYR 36 18.647 -0.619 1.932 243 HB3 TYR 36 3HB TYR 36 19.707 -2.019 1.805 244 HD1 TYR 36 HD2 TYR 36 16.444 -0.629 0.783 245 HD2 TYR 36 HD1 TYR 36 19.286 -3.744 0.214 246 HE1 TYR 36 HE2 TYR 36 15.250 -1.340 -1.246 247 HE2 TYR 36 HE1 TYR 36 18.100 -4.462 -1.818 248 HH TYR 36 HH TYR 36 16.114 -4.273 -2.955 Start of MODEL 11 1 H1 GLY 1 H GLY 1 2.202 -2.680 -3.549 2 HA2 GLY 1 2HA GLY 1 1.554 -0.570 -2.095 3 HA3 GLY 1 3HA GLY 1 3.132 -0.643 -2.866 4 H PHE 2 H PHE 2 1.690 1.732 -2.216 5 HA PHE 2 HA PHE 2 0.845 2.742 -4.836 6 HB2 PHE 2 2HB PHE 2 0.637 4.181 -2.192 7 HB3 PHE 2 3HB PHE 2 -0.221 4.540 -3.686 8 HD1 PHE 2 HD2 PHE 2 0.011 2.240 -0.832 9 HD2 PHE 2 HD1 PHE 2 -2.194 3.348 -4.300 10 HE1 PHE 2 HE2 PHE 2 -1.862 0.830 -0.088 11 HE2 PHE 2 HE1 PHE 2 -4.071 1.940 -3.561 12 HZ PHE 2 HZ PHE 2 -3.906 0.677 -1.453 13 H GLY 3 H GLY 3 3.451 2.345 -4.930 14 HA2 GLY 3 2HA GLY 3 4.637 4.638 -5.729 15 HA3 GLY 3 3HA GLY 3 4.942 4.641 -3.998 16 H CYS 4 H CYS 4 6.700 4.335 -6.442 17 HA CYS 4 HA CYS 4 8.614 2.632 -5.348 18 HB2 CYS 4 2HB CYS 4 6.563 1.252 -6.835 19 HB3 CYS 4 3HB CYS 4 8.120 1.066 -7.635 20 HA PRO 5 HA PRO 5 9.905 3.681 -9.878 21 HB2 PRO 5 2HB PRO 5 8.023 4.780 -11.498 22 HB3 PRO 5 3HB PRO 5 8.271 3.035 -11.358 23 HG2 PRO 5 2HG PRO 5 6.213 4.768 -10.045 24 HG3 PRO 5 3HG PRO 5 6.019 3.172 -10.794 25 HD2 PRO 5 2HD PRO 5 6.210 3.510 -8.114 26 HD3 PRO 5 3HD PRO 5 6.826 2.065 -8.940 27 H TRP 6 H TRP 6 7.321 5.886 -8.797 28 HA TRP 6 HA TRP 6 9.267 8.094 -8.963 29 HB2 TRP 6 2HB TRP 6 6.897 9.396 -9.114 30 HB3 TRP 6 3HB TRP 6 7.822 8.883 -10.523 31 HD1 TRP 6 HD1 TRP 6 6.777 7.035 -12.058 32 HE1 TRP 6 HE1 TRP 6 4.496 5.843 -12.102 33 HE3 TRP 6 HE3 TRP 6 5.013 8.491 -7.486 34 HZ2 TRP 6 HZ2 TRP 6 2.247 5.558 -10.420 35 HZ3 TRP 6 HZ3 TRP 6 2.787 7.716 -6.779 36 HH2 TRP 6 HH2 TRP 6 1.434 6.280 -8.217 37 H ASN 7 H ASN 7 6.635 6.611 -7.184 38 HA ASN 7 HA ASN 7 6.839 8.581 -5.047 39 HB2 ASN 7 2HB ASN 7 4.859 6.610 -5.910 40 HB3 ASN 7 3HB ASN 7 5.104 6.618 -4.166 41 HD21 ASN 7 1HD2 ASN 7 2.947 7.391 -3.988 42 HD22 ASN 7 2HD2 ASN 7 2.592 9.063 -4.245 43 H ALA 8 H ALA 8 8.991 6.599 -5.741 44 HA ALA 8 HA ALA 8 9.229 4.526 -3.944 45 HB1 ALA 8 1HB ALA 8 11.075 4.367 -5.174 46 HB2 ALA 8 2HB ALA 8 11.027 6.079 -5.596 47 HB3 ALA 8 3HB ALA 8 11.796 5.562 -4.096 48 H TYR 9 H TYR 9 9.651 7.959 -3.401 49 HA TYR 9 HA TYR 9 11.034 7.967 -1.005 50 HB2 TYR 9 2HB TYR 9 9.761 9.864 -2.562 51 HB3 TYR 9 3HB TYR 9 8.856 9.916 -1.053 52 HD1 TYR 9 HD2 TYR 9 10.944 9.387 0.939 53 HD2 TYR 9 HD1 TYR 9 11.069 11.786 -2.572 54 HE1 TYR 9 HE2 TYR 9 12.708 10.769 1.953 55 HE2 TYR 9 HE1 TYR 9 12.834 13.174 -1.569 56 HH TYR 9 HH TYR 9 13.666 12.976 1.745 57 H GLU 10 H GLU 10 7.734 7.088 -1.654 58 HA GLU 10 HA GLU 10 6.761 7.277 1.006 59 HB2 GLU 10 2HB GLU 10 5.172 7.240 -0.778 60 HB3 GLU 10 3HB GLU 10 5.814 5.726 -1.402 61 HG2 GLU 10 2HG GLU 10 3.625 5.611 -0.142 62 HG3 GLU 10 3HG GLU 10 4.884 4.479 0.346 63 H CYS 11 H CYS 11 7.956 4.543 -0.929 64 HA CYS 11 HA CYS 11 7.727 2.667 1.212 65 HB2 CYS 11 2HB CYS 11 7.818 2.270 -1.374 66 HB3 CYS 11 3HB CYS 11 9.560 2.259 -1.125 67 H ASP 12 H ASP 12 10.141 4.918 0.181 68 HA ASP 12 HA ASP 12 12.365 3.692 1.474 69 HB2 ASP 12 2HB ASP 12 12.825 5.238 -0.289 70 HB3 ASP 12 3HB ASP 12 11.872 6.501 0.485 71 H ARG 13 H ARG 13 10.420 6.562 2.318 72 HA ARG 13 HA ARG 13 11.552 6.998 4.833 73 HB2 ARG 13 2HB ARG 13 8.867 7.688 3.662 74 HB3 ARG 13 3HB ARG 13 9.288 8.127 5.312 75 HG2 ARG 13 2HG ARG 13 11.429 8.941 3.662 76 HG3 ARG 13 3HG ARG 13 9.931 9.462 2.886 77 HD2 ARG 13 2HD ARG 13 10.334 9.911 5.813 78 HD3 ARG 13 3HD ARG 13 11.090 10.994 4.646 79 HE ARG 13 HE ARG 13 8.420 10.778 3.933 80 HH11 ARG 13 1HH1 ARG 13 10.288 11.929 6.636 81 HH12 ARG 13 2HH1 ARG 13 9.124 13.127 7.098 82 HH21 ARG 13 1HH2 ARG 13 6.880 12.352 4.531 83 HH22 ARG 13 2HH2 ARG 13 7.186 13.366 5.900 84 H HIS 14 H HIS 14 9.320 4.608 3.769 85 HA HIS 14 HA HIS 14 7.968 4.019 6.146 86 HB2 HIS 14 2HB HIS 14 7.298 3.079 3.993 87 HB3 HIS 14 3HB HIS 14 8.794 2.154 3.911 88 HD1 HIS 14 HD1 HIS 14 5.412 2.158 5.443 89 HD2 HIS 14 HD2 HIS 14 8.899 -0.092 5.634 90 HE1 HIS 14 HE1 HIS 14 4.776 0.031 6.623 91 H CYS 15 H CYS 15 11.062 2.825 4.898 92 HA CYS 15 HA CYS 15 11.503 1.268 7.319 93 HB2 CYS 15 2HB CYS 15 13.193 1.613 4.833 94 HB3 CYS 15 3HB CYS 15 13.587 0.545 6.176 95 H VAL 16 H VAL 16 12.738 4.140 5.700 96 HA VAL 16 HA VAL 16 15.008 4.666 7.175 97 HB VAL 16 HB VAL 16 12.990 6.681 6.175 98 HG11 VAL 16 1HG1 VAL 16 14.273 8.009 7.507 99 HG12 VAL 16 2HG1 VAL 16 15.676 6.943 7.410 100 HG13 VAL 16 3HG1 VAL 16 15.284 8.011 6.062 101 HG21 VAL 16 3HG2 VAL 16 14.506 4.887 4.721 102 HG22 VAL 16 1HG2 VAL 16 13.789 6.380 4.113 103 HG23 VAL 16 2HG2 VAL 16 15.461 6.370 4.675 104 H SER 17 H SER 17 11.662 4.998 8.103 105 HA SER 17 HA SER 17 12.129 6.623 10.402 106 HB2 SER 17 2HB SER 17 9.915 6.190 9.068 107 HB3 SER 17 3HB SER 17 9.750 4.813 10.157 108 HG SER 17 HG SER 17 10.179 7.479 11.023 109 H LYS 18 H LYS 18 11.923 3.166 9.800 110 HA LYS 18 HA LYS 18 11.898 2.369 12.527 111 HB2 LYS 18 2HB LYS 18 12.399 0.996 9.917 112 HB3 LYS 18 3HB LYS 18 12.819 0.169 11.411 113 HG2 LYS 18 2HG LYS 18 10.712 -0.583 11.293 114 HG3 LYS 18 3HG LYS 18 10.314 0.987 11.994 115 HD2 LYS 18 2HD LYS 18 9.087 1.456 10.202 116 HD3 LYS 18 3HD LYS 18 10.534 1.347 9.197 117 HE2 LYS 18 2HE LYS 18 8.646 -0.890 9.919 118 HE3 LYS 18 3HE LYS 18 8.856 -0.149 8.333 119 HZ1 LYS 18 3HZ LYS 18 10.412 -1.648 7.920 120 HZ2 LYS 18 1HZ LYS 18 10.288 -2.285 9.482 121 HZ3 LYS 18 2HZ LYS 18 11.360 -1.014 9.170 122 H GLY 19 H GLY 19 14.452 2.951 10.169 123 HA2 GLY 19 2HA GLY 19 16.486 3.861 11.472 124 HA3 GLY 19 3HA GLY 19 16.464 2.264 12.204 125 H TYR 20 H TYR 20 15.502 1.248 9.470 126 HA TYR 20 HA TYR 20 18.039 0.405 8.548 127 HB2 TYR 20 2HB TYR 20 15.291 0.244 7.305 128 HB3 TYR 20 3HB TYR 20 16.721 -0.489 6.587 129 HD1 TYR 20 HD2 TYR 20 18.091 -2.037 8.271 130 HD2 TYR 20 HD1 TYR 20 13.963 -1.079 8.648 131 HE1 TYR 20 HE2 TYR 20 17.756 -4.047 9.648 132 HE2 TYR 20 HE1 TYR 20 13.617 -3.086 10.026 133 HH TYR 20 HH TYR 20 16.217 -5.410 10.573 134 H THR 21 H THR 21 18.226 0.553 5.919 135 HA THR 21 HA THR 21 19.062 3.236 5.450 136 HB THR 21 HB THR 21 18.876 0.894 3.547 137 HG1 THR 21 HG1 THR 21 20.949 0.516 4.114 138 HG21 THR 21 3HG2 THR 21 20.053 3.645 3.237 139 HG22 THR 21 1HG2 THR 21 18.917 2.812 2.177 140 HG23 THR 21 2HG2 THR 21 20.595 2.278 2.264 141 H GLY 22 H GLY 22 16.402 1.235 4.222 142 HA2 GLY 22 2HA GLY 22 14.409 2.987 4.022 143 HA3 GLY 22 3HA GLY 22 15.384 3.458 2.638 144 H GLY 23 H GLY 23 12.649 2.269 2.860 145 HA2 GLY 23 2HA GLY 23 12.900 -0.393 1.770 146 HA3 GLY 23 3HA GLY 23 11.410 0.514 1.982 147 H ASN 24 H ASN 24 13.820 -0.491 -0.208 148 HA ASN 24 HA ASN 24 12.719 1.257 -2.306 149 HB2 ASN 24 2HB ASN 24 15.252 -0.304 -2.662 150 HB3 ASN 24 3HB ASN 24 14.766 1.217 -3.406 151 HD21 ASN 24 1HD2 ASN 24 14.069 2.723 -1.257 152 HD22 ASN 24 2HD2 ASN 24 15.447 2.995 -0.252 153 H CYS 25 H CYS 25 12.351 0.331 -4.408 154 HA CYS 25 HA CYS 25 11.451 -2.451 -4.221 155 HB2 CYS 25 2HB CYS 25 10.838 -0.472 -6.418 156 HB3 CYS 25 3HB CYS 25 10.000 -1.980 -6.066 157 H ARG 26 H ARG 26 11.988 -3.999 -5.776 158 HA ARG 26 HA ARG 26 13.964 -3.320 -7.803 159 HB2 ARG 26 2HB ARG 26 14.490 -5.290 -5.573 160 HB3 ARG 26 3HB ARG 26 15.444 -5.205 -7.048 161 HG2 ARG 26 2HG ARG 26 15.091 -2.898 -5.151 162 HG3 ARG 26 3HG ARG 26 16.439 -4.035 -5.087 163 HD2 ARG 26 2HD ARG 26 16.506 -3.337 -7.695 164 HD3 ARG 26 3HD ARG 26 15.885 -1.848 -6.982 165 HE ARG 26 HE ARG 26 18.538 -2.928 -6.712 166 HH11 ARG 26 1HH1 ARG 26 16.132 -0.835 -5.315 167 HH12 ARG 26 2HH1 ARG 26 17.283 0.122 -4.443 168 HH21 ARG 26 1HH2 ARG 26 20.063 -1.675 -5.569 169 HH22 ARG 26 2HH2 ARG 26 19.519 -0.356 -4.589 170 H GLY 27 H GLY 27 14.598 -5.479 -8.991 171 HA2 GLY 27 2HA GLY 27 12.057 -6.719 -9.723 172 HA3 GLY 27 3HA GLY 27 13.555 -6.798 -10.639 173 H LYS 28 H LYS 28 13.130 -7.529 -7.211 174 HA LYS 28 HA LYS 28 14.649 -9.832 -7.194 175 HB2 LYS 28 2HB LYS 28 13.262 -10.436 -5.128 176 HB3 LYS 28 3HB LYS 28 14.125 -8.904 -5.101 177 HG2 LYS 28 2HG LYS 28 11.402 -8.717 -6.150 178 HG3 LYS 28 3HG LYS 28 11.500 -9.244 -4.468 179 HD2 LYS 28 2HD LYS 28 13.172 -6.932 -5.299 180 HD3 LYS 28 3HD LYS 28 11.433 -6.676 -5.140 181 HE2 LYS 28 2HE LYS 28 11.934 -6.280 -2.983 182 HE3 LYS 28 3HE LYS 28 11.955 -8.039 -2.860 183 HZ1 LYS 28 3HZ LYS 28 13.944 -7.324 -1.893 184 HZ2 LYS 28 1HZ LYS 28 14.255 -6.196 -3.116 185 HZ3 LYS 28 2HZ LYS 28 14.399 -7.851 -3.435 186 H ILE 29 H ILE 29 11.255 -9.431 -7.990 187 HA ILE 29 HA ILE 29 11.233 -12.081 -9.178 188 HB ILE 29 HB ILE 29 9.100 -12.708 -8.081 189 HG12 ILE 29 2HG1 ILE 29 9.022 -11.343 -5.722 190 HG13 ILE 29 3HG1 ILE 29 9.513 -10.068 -6.832 191 HG21 ILE 29 1HG2 ILE 29 11.429 -13.409 -7.303 192 HG22 ILE 29 2HG2 ILE 29 11.199 -12.264 -5.983 193 HG23 ILE 29 3HG2 ILE 29 10.095 -13.627 -6.170 194 HD11 ILE 29 3HD1 ILE 29 7.416 -9.829 -7.471 195 HD12 ILE 29 1HD1 ILE 29 7.390 -11.499 -8.038 196 HD13 ILE 29 2HD1 ILE 29 6.929 -11.124 -6.377 197 H ARG 30 H ARG 30 9.511 -9.078 -8.488 198 HA ARG 30 HA ARG 30 8.816 -8.624 -11.170 199 HB2 ARG 30 2HB ARG 30 7.238 -10.576 -10.318 200 HB3 ARG 30 3HB ARG 30 6.334 -9.233 -9.632 201 HG2 ARG 30 2HG ARG 30 5.798 -8.361 -11.704 202 HG3 ARG 30 3HG ARG 30 7.135 -9.184 -12.508 203 HD2 ARG 30 2HD ARG 30 5.142 -10.937 -11.232 204 HD3 ARG 30 3HD ARG 30 4.561 -10.004 -12.610 205 HE ARG 30 HE ARG 30 6.974 -11.153 -13.361 206 HH11 ARG 30 1HH1 ARG 30 3.790 -12.193 -12.411 207 HH12 ARG 30 2HH1 ARG 30 3.845 -13.651 -13.345 208 HH21 ARG 30 1HH2 ARG 30 7.059 -13.070 -14.595 209 HH22 ARG 30 2HH2 ARG 30 5.705 -14.149 -14.586 210 H GLN 31 H GLN 31 9.979 -6.918 -9.598 211 HA GLN 31 HA GLN 31 9.911 -4.800 -8.774 212 HB2 GLN 31 2HB GLN 31 7.483 -5.027 -10.417 213 HB3 GLN 31 3HB GLN 31 7.416 -3.765 -9.193 214 HG2 GLN 31 2HG GLN 31 9.362 -2.706 -10.077 215 HG3 GLN 31 3HG GLN 31 9.653 -4.049 -11.181 216 HE21 GLN 31 1HE2 GLN 31 7.484 -1.395 -10.429 217 HE22 GLN 31 2HE2 GLN 31 6.837 -1.225 -12.022 218 H THR 32 H THR 32 10.053 -5.765 -6.649 219 HA THR 32 HA THR 32 7.602 -5.327 -5.073 220 HB THR 32 HB THR 32 9.694 -7.436 -4.509 221 HG1 THR 32 HG1 THR 32 7.195 -7.510 -5.816 222 HG21 THR 32 3HG2 THR 32 7.711 -8.207 -2.989 223 HG22 THR 32 1HG2 THR 32 7.223 -6.516 -3.098 224 HG23 THR 32 2HG2 THR 32 8.802 -6.938 -2.435 225 H CYS 33 H CYS 33 7.857 -4.434 -3.014 226 HA CYS 33 HA CYS 33 10.177 -2.752 -2.722 227 HB2 CYS 33 2HB CYS 33 7.510 -2.597 -1.930 228 HB3 CYS 33 3HB CYS 33 8.397 -2.808 -0.424 229 H HIS 34 H HIS 34 11.572 -2.702 -0.903 230 HA HIS 34 HA HIS 34 11.527 -4.822 1.035 231 HB2 HIS 34 2HB HIS 34 12.569 -5.766 -1.146 232 HB3 HIS 34 3HB HIS 34 13.961 -4.772 -0.729 233 HD1 HIS 34 HD1 HIS 34 15.643 -6.418 0.066 234 HD2 HIS 34 HD2 HIS 34 11.895 -7.087 1.728 235 HE1 HIS 34 HE1 HIS 34 15.974 -8.254 1.753 236 H CYS 35 H CYS 35 12.760 -4.362 2.821 237 HA CYS 35 HA CYS 35 13.952 -1.691 2.865 238 HB2 CYS 35 2HB CYS 35 13.055 -3.568 5.053 239 HB3 CYS 35 3HB CYS 35 13.939 -2.080 5.375 240 H TYR 36 H TYR 36 16.076 -1.343 3.079 241 HA TYR 36 HA TYR 36 17.842 -3.655 3.144 242 HB2 TYR 36 2HB TYR 36 18.278 -0.732 2.550 243 HB3 TYR 36 3HB TYR 36 19.615 -1.865 2.715 244 HD1 TYR 36 HD2 TYR 36 19.691 -3.866 1.148 245 HD2 TYR 36 HD1 TYR 36 17.105 -0.545 0.524 246 HE1 TYR 36 HE2 TYR 36 19.443 -4.511 -1.212 247 HE2 TYR 36 HE1 TYR 36 16.849 -1.181 -1.838 248 HH TYR 36 HH TYR 36 17.129 -2.959 -3.307 Start of MODEL 12 1 H1 GLY 1 H GLY 1 0.680 -2.807 -3.927 2 HA2 GLY 1 2HA GLY 1 2.810 -1.615 -3.770 3 HA3 GLY 1 3HA GLY 1 2.872 -1.640 -5.526 4 H PHE 2 H PHE 2 3.284 0.738 -4.611 5 HA PHE 2 HA PHE 2 1.222 2.327 -5.626 6 HB2 PHE 2 2HB PHE 2 0.661 3.489 -3.386 7 HB3 PHE 2 3HB PHE 2 -0.135 1.963 -3.753 8 HD1 PHE 2 HD2 PHE 2 3.062 3.082 -2.178 9 HD2 PHE 2 HD1 PHE 2 -0.324 0.509 -2.001 10 HE1 PHE 2 HE2 PHE 2 3.887 2.148 -0.057 11 HE2 PHE 2 HE1 PHE 2 0.496 -0.429 0.121 12 HZ PHE 2 HZ PHE 2 2.604 0.389 1.095 13 H GLY 3 H GLY 3 4.083 2.051 -5.724 14 HA2 GLY 3 2HA GLY 3 5.008 4.538 -6.108 15 HA3 GLY 3 3HA GLY 3 5.172 4.375 -4.366 16 H CYS 4 H CYS 4 7.136 4.592 -6.664 17 HA CYS 4 HA CYS 4 9.190 3.053 -5.582 18 HB2 CYS 4 2HB CYS 4 7.462 1.538 -7.276 19 HB3 CYS 4 3HB CYS 4 9.010 1.724 -8.094 20 HA PRO 5 HA PRO 5 10.640 4.755 -9.859 21 HB2 PRO 5 2HB PRO 5 8.743 5.764 -11.517 22 HB3 PRO 5 3HB PRO 5 9.225 4.063 -11.531 23 HG2 PRO 5 2HG PRO 5 6.853 5.350 -10.234 24 HG3 PRO 5 3HG PRO 5 6.942 3.835 -11.151 25 HD2 PRO 5 2HD PRO 5 6.890 3.898 -8.445 26 HD3 PRO 5 3HD PRO 5 7.763 2.648 -9.354 27 H TRP 6 H TRP 6 7.698 6.462 -8.791 28 HA TRP 6 HA TRP 6 9.318 8.915 -8.570 29 HB2 TRP 6 2HB TRP 6 6.805 9.898 -8.794 30 HB3 TRP 6 3HB TRP 6 7.890 9.669 -10.163 31 HD1 TRP 6 HD1 TRP 6 7.226 7.878 -11.956 32 HE1 TRP 6 HE1 TRP 6 5.146 6.405 -12.309 33 HE3 TRP 6 HE3 TRP 6 4.959 8.576 -7.428 34 HZ2 TRP 6 HZ2 TRP 6 2.847 5.640 -10.860 35 HZ3 TRP 6 HZ3 TRP 6 2.821 7.438 -6.991 36 HH2 TRP 6 HH2 TRP 6 1.789 6.001 -8.673 37 H ASN 7 H ASN 7 6.807 6.904 -7.177 38 HA ASN 7 HA ASN 7 6.571 8.638 -4.848 39 HB2 ASN 7 2HB ASN 7 4.964 6.525 -6.070 40 HB3 ASN 7 3HB ASN 7 5.088 6.362 -4.320 41 HD21 ASN 7 1HD2 ASN 7 2.797 6.787 -4.346 42 HD22 ASN 7 2HD2 ASN 7 2.234 8.419 -4.411 43 H ALA 8 H ALA 8 9.027 7.039 -5.559 44 HA ALA 8 HA ALA 8 9.429 4.846 -3.938 45 HB1 ALA 8 1HB ALA 8 10.996 6.206 -5.622 46 HB2 ALA 8 2HB ALA 8 11.668 6.771 -4.092 47 HB3 ALA 8 3HB ALA 8 11.625 5.045 -4.452 48 H TYR 9 H TYR 9 9.308 8.228 -3.066 49 HA TYR 9 HA TYR 9 10.542 8.183 -0.581 50 HB2 TYR 9 2HB TYR 9 8.823 9.963 -2.038 51 HB3 TYR 9 3HB TYR 9 8.306 9.901 -0.357 52 HD1 TYR 9 HD2 TYR 9 11.549 10.048 -2.223 53 HD2 TYR 9 HD1 TYR 9 9.199 11.527 1.000 54 HE1 TYR 9 HE2 TYR 9 13.366 11.590 -1.615 55 HE2 TYR 9 HE1 TYR 9 11.009 13.075 1.617 56 HH TYR 9 HH TYR 9 13.604 13.102 1.275 57 H GLU 10 H GLU 10 7.431 6.973 -1.555 58 HA GLU 10 HA GLU 10 6.240 6.798 1.004 59 HB2 GLU 10 2HB GLU 10 4.831 6.653 -0.919 60 HB3 GLU 10 3HB GLU 10 5.748 5.300 -1.567 61 HG2 GLU 10 2HG GLU 10 3.637 4.546 -0.664 62 HG3 GLU 10 3HG GLU 10 4.980 3.892 0.272 63 H CYS 11 H CYS 11 7.617 4.193 -1.013 64 HA CYS 11 HA CYS 11 7.654 2.297 1.087 65 HB2 CYS 11 2HB CYS 11 7.756 1.939 -1.486 66 HB3 CYS 11 3HB CYS 11 9.492 2.154 -1.285 67 H ASP 12 H ASP 12 9.841 4.793 0.114 68 HA ASP 12 HA ASP 12 12.168 3.750 1.394 69 HB2 ASP 12 2HB ASP 12 12.623 5.322 -0.285 70 HB3 ASP 12 3HB ASP 12 11.399 6.443 0.305 71 H ARG 13 H ARG 13 10.092 6.527 2.245 72 HA ARG 13 HA ARG 13 11.149 6.925 4.799 73 HB2 ARG 13 2HB ARG 13 8.485 7.607 3.576 74 HB3 ARG 13 3HB ARG 13 8.871 8.029 5.239 75 HG2 ARG 13 2HG ARG 13 10.978 8.840 3.441 76 HG3 ARG 13 3HG ARG 13 9.420 9.516 2.961 77 HD2 ARG 13 2HD ARG 13 9.255 10.012 5.557 78 HD3 ARG 13 3HD ARG 13 11.013 9.960 5.430 79 HE ARG 13 HE ARG 13 10.170 11.608 3.396 80 HH11 ARG 13 1HH1 ARG 13 9.898 11.542 6.866 81 HH12 ARG 13 2HH1 ARG 13 9.836 13.266 7.024 82 HH21 ARG 13 1HH2 ARG 13 10.089 13.879 3.591 83 HH22 ARG 13 2HH2 ARG 13 9.944 14.595 5.161 84 H HIS 14 H HIS 14 9.036 4.500 3.623 85 HA HIS 14 HA HIS 14 7.573 3.852 5.915 86 HB2 HIS 14 2HB HIS 14 7.067 2.901 3.720 87 HB3 HIS 14 3HB HIS 14 8.593 2.021 3.733 88 HD1 HIS 14 HD1 HIS 14 5.108 1.872 4.950 89 HD2 HIS 14 HD2 HIS 14 8.672 -0.175 5.559 90 HE1 HIS 14 HE1 HIS 14 4.467 -0.262 6.114 91 H CYS 15 H CYS 15 10.768 2.754 4.842 92 HA CYS 15 HA CYS 15 11.121 1.215 7.288 93 HB2 CYS 15 2HB CYS 15 12.933 1.604 4.897 94 HB3 CYS 15 3HB CYS 15 13.286 0.551 6.263 95 H VAL 16 H VAL 16 12.224 4.182 5.797 96 HA VAL 16 HA VAL 16 14.457 4.797 7.288 97 HB VAL 16 HB VAL 16 12.292 6.709 6.401 98 HG11 VAL 16 1HG1 VAL 16 14.590 8.132 6.343 99 HG12 VAL 16 2HG1 VAL 16 13.458 8.136 7.696 100 HG13 VAL 16 3HG1 VAL 16 14.883 7.097 7.740 101 HG21 VAL 16 3HG2 VAL 16 13.007 6.355 4.328 102 HG22 VAL 16 1HG2 VAL 16 14.637 6.832 4.805 103 HG23 VAL 16 2HG2 VAL 16 14.143 5.143 4.921 104 H SER 17 H SER 17 11.106 4.840 8.251 105 HA SER 17 HA SER 17 11.533 6.345 10.657 106 HB2 SER 17 2HB SER 17 9.312 5.668 9.182 107 HB3 SER 17 3HB SER 17 9.162 4.615 10.589 108 HG SER 17 HG SER 17 9.711 6.750 11.735 109 H LYS 18 H LYS 18 11.355 2.941 9.792 110 HA LYS 18 HA LYS 18 11.322 1.935 12.446 111 HB2 LYS 18 2HB LYS 18 11.882 0.770 9.745 112 HB3 LYS 18 3HB LYS 18 12.271 -0.165 11.183 113 HG2 LYS 18 2HG LYS 18 10.172 -0.914 10.963 114 HG3 LYS 18 3HG LYS 18 9.746 0.602 11.762 115 HD2 LYS 18 2HD LYS 18 8.600 1.242 9.969 116 HD3 LYS 18 3HD LYS 18 10.052 1.102 8.974 117 HE2 LYS 18 2HE LYS 18 8.063 -1.076 9.602 118 HE3 LYS 18 3HE LYS 18 8.306 -0.280 8.047 119 HZ1 LYS 18 3HZ LYS 18 9.681 -1.960 7.618 120 HZ2 LYS 18 1HZ LYS 18 9.762 -2.447 9.236 121 HZ3 LYS 18 2HZ LYS 18 10.774 -1.216 8.672 122 H GLY 19 H GLY 19 13.893 2.717 10.163 123 HA2 GLY 19 2HA GLY 19 15.870 3.496 11.742 124 HA3 GLY 19 3HA GLY 19 15.928 1.763 12.027 125 H TYR 20 H TYR 20 15.313 0.883 9.421 126 HA TYR 20 HA TYR 20 17.828 0.775 8.256 127 HB2 TYR 20 2HB TYR 20 15.220 0.478 6.759 128 HB3 TYR 20 3HB TYR 20 16.771 -0.250 6.356 129 HD1 TYR 20 HD1 TYR 20 17.711 -2.026 7.874 130 HD2 TYR 20 HD2 TYR 20 13.725 -0.585 8.247 131 HE1 TYR 20 HE1 TYR 20 17.116 -4.025 9.179 132 HE2 TYR 20 HE2 TYR 20 13.120 -2.579 9.553 133 HH TYR 20 HH TYR 20 14.201 -5.120 9.638 134 H THR 21 H THR 21 18.250 1.468 5.905 135 HA THR 21 HA THR 21 18.336 4.299 5.835 136 HB THR 21 HB THR 21 20.032 2.801 4.764 137 HG1 THR 21 HG1 THR 21 20.385 4.693 3.876 138 HG21 THR 21 3HG2 THR 21 18.030 1.456 3.660 139 HG22 THR 21 1HG2 THR 21 19.613 1.555 2.890 140 HG23 THR 21 2HG2 THR 21 18.304 2.605 2.350 141 H GLY 22 H GLY 22 16.169 1.925 4.465 142 HA2 GLY 22 2HA GLY 22 13.934 3.321 4.148 143 HA3 GLY 22 3HA GLY 22 14.863 3.915 2.779 144 H GLY 23 H GLY 23 12.353 2.363 2.865 145 HA2 GLY 23 2HA GLY 23 13.068 -0.266 1.877 146 HA3 GLY 23 3HA GLY 23 11.444 0.386 2.032 147 H ASN 24 H ASN 24 14.092 -0.178 -0.064 148 HA ASN 24 HA ASN 24 12.816 1.361 -2.216 149 HB2 ASN 24 2HB ASN 24 15.497 0.049 -2.496 150 HB3 ASN 24 3HB ASN 24 14.880 1.500 -3.281 151 HD21 ASN 24 1HD2 ASN 24 13.968 2.937 -1.140 152 HD22 ASN 24 2HD2 ASN 24 15.297 3.376 -0.128 153 H CYS 25 H CYS 25 11.921 0.381 -3.938 154 HA CYS 25 HA CYS 25 11.822 -2.540 -3.918 155 HB2 CYS 25 2HB CYS 25 9.934 -2.282 -5.476 156 HB3 CYS 25 3HB CYS 25 9.684 -1.358 -3.998 157 H ARG 26 H ARG 26 11.853 -3.661 -6.049 158 HA ARG 26 HA ARG 26 13.244 -2.378 -8.220 159 HB2 ARG 26 2HB ARG 26 15.095 -4.153 -8.141 160 HB3 ARG 26 3HB ARG 26 15.209 -2.807 -7.015 161 HG2 ARG 26 2HG ARG 26 14.412 -4.171 -5.211 162 HG3 ARG 26 3HG ARG 26 14.083 -5.508 -6.315 163 HD2 ARG 26 2HD ARG 26 16.137 -6.256 -5.917 164 HD3 ARG 26 3HD ARG 26 16.761 -4.826 -6.738 165 HE ARG 26 HE ARG 26 16.291 -3.960 -4.210 166 HH11 ARG 26 1HH1 ARG 26 18.082 -6.622 -5.561 167 HH12 ARG 26 2HH1 ARG 26 19.247 -6.659 -4.279 168 HH21 ARG 26 1HH2 ARG 26 17.819 -3.998 -2.517 169 HH22 ARG 26 2HH2 ARG 26 19.096 -5.166 -2.547 170 H GLY 27 H GLY 27 14.000 -4.328 -9.794 171 HA2 GLY 27 2HA GLY 27 11.522 -5.784 -10.294 172 HA3 GLY 27 3HA GLY 27 12.867 -5.601 -11.411 173 H LYS 28 H LYS 28 12.871 -6.775 -8.065 174 HA LYS 28 HA LYS 28 14.554 -8.972 -8.710 175 HB2 LYS 28 2HB LYS 28 14.136 -9.673 -6.362 176 HB3 LYS 28 3HB LYS 28 14.651 -7.998 -6.504 177 HG2 LYS 28 2HG LYS 28 11.981 -7.674 -6.573 178 HG3 LYS 28 3HG LYS 28 12.097 -9.125 -5.574 179 HD2 LYS 28 2HD LYS 28 13.966 -6.933 -4.919 180 HD3 LYS 28 3HD LYS 28 12.259 -6.626 -4.591 181 HE2 LYS 28 2HE LYS 28 13.845 -8.996 -3.604 182 HE3 LYS 28 3HE LYS 28 13.415 -7.580 -2.647 183 HZ1 LYS 28 3HZ LYS 28 11.397 -8.393 -2.268 184 HZ2 LYS 28 1HZ LYS 28 11.943 -9.865 -2.899 185 HZ3 LYS 28 2HZ LYS 28 11.138 -8.764 -3.898 186 H ILE 29 H ILE 29 11.095 -8.670 -8.014 187 HA ILE 29 HA ILE 29 10.588 -11.116 -9.482 188 HB ILE 29 HB ILE 29 9.121 -11.996 -7.606 189 HG12 ILE 29 2HG1 ILE 29 10.805 -10.840 -5.537 190 HG13 ILE 29 3HG1 ILE 29 9.878 -9.607 -6.384 191 HG21 ILE 29 1HG2 ILE 29 11.419 -12.840 -8.329 192 HG22 ILE 29 2HG2 ILE 29 12.037 -12.018 -6.897 193 HG23 ILE 29 3HG2 ILE 29 10.851 -13.312 -6.728 194 HD11 ILE 29 3HD1 ILE 29 8.896 -10.759 -4.283 195 HD12 ILE 29 1HD1 ILE 29 7.862 -10.451 -5.678 196 HD13 ILE 29 2HD1 ILE 29 8.514 -12.067 -5.402 197 H ARG 30 H ARG 30 9.664 -9.346 -10.793 198 HA ARG 30 HA ARG 30 7.859 -8.269 -11.663 199 HB2 ARG 30 2HB ARG 30 6.781 -10.484 -10.935 200 HB3 ARG 30 3HB ARG 30 6.155 -9.584 -9.560 201 HG2 ARG 30 2HG ARG 30 5.281 -7.952 -11.408 202 HG3 ARG 30 3HG ARG 30 5.455 -9.370 -12.444 203 HD2 ARG 30 2HD ARG 30 3.793 -9.126 -9.942 204 HD3 ARG 30 3HD ARG 30 3.210 -9.305 -11.596 205 HE ARG 30 HE ARG 30 4.819 -11.500 -11.064 206 HH11 ARG 30 1HH1 ARG 30 1.852 -10.119 -9.875 207 HH12 ARG 30 2HH1 ARG 30 1.179 -11.644 -9.402 208 HH21 ARG 30 1HH2 ARG 30 3.944 -13.514 -10.445 209 HH22 ARG 30 2HH2 ARG 30 2.370 -13.574 -9.726 210 H GLN 31 H GLN 31 9.342 -6.755 -10.004 211 HA GLN 31 HA GLN 31 9.319 -4.805 -8.835 212 HB2 GLN 31 2HB GLN 31 6.323 -4.801 -9.186 213 HB3 GLN 31 3HB GLN 31 7.378 -3.417 -8.931 214 HG2 GLN 31 2HG GLN 31 8.400 -4.529 -11.214 215 HG3 GLN 31 3HG GLN 31 6.668 -4.808 -11.388 216 HE21 GLN 31 1HE2 GLN 31 8.930 -2.247 -10.435 217 HE22 GLN 31 2HE2 GLN 31 8.078 -0.966 -11.221 218 H THR 32 H THR 32 9.891 -5.196 -6.789 219 HA THR 32 HA THR 32 7.772 -5.632 -4.831 220 HB THR 32 HB THR 32 10.225 -7.394 -4.983 221 HG1 THR 32 HG1 THR 32 8.524 -8.003 -6.408 222 HG21 THR 32 3HG2 THR 32 9.879 -7.123 -2.698 223 HG22 THR 32 1HG2 THR 32 8.932 -8.564 -3.065 224 HG23 THR 32 2HG2 THR 32 8.129 -7.005 -2.876 225 H CYS 33 H CYS 33 8.220 -4.816 -2.793 226 HA CYS 33 HA CYS 33 10.286 -2.813 -2.700 227 HB2 CYS 33 2HB CYS 33 7.817 -3.342 -1.334 228 HB3 CYS 33 3HB CYS 33 9.096 -3.106 -0.147 229 H HIS 34 H HIS 34 12.047 -2.729 -1.320 230 HA HIS 34 HA HIS 34 12.620 -5.036 0.369 231 HB2 HIS 34 2HB HIS 34 13.559 -5.302 -2.053 232 HB3 HIS 34 3HB HIS 34 14.759 -4.125 -1.529 233 HD1 HIS 34 HD1 HIS 34 16.815 -5.182 -0.685 234 HD2 HIS 34 HD2 HIS 34 13.479 -7.562 -0.004 235 HE1 HIS 34 HE1 HIS 34 17.689 -7.264 0.424 236 H CYS 35 H CYS 35 13.423 -4.380 2.249 237 HA CYS 35 HA CYS 35 14.390 -1.630 2.481 238 HB2 CYS 35 2HB CYS 35 13.404 -3.661 4.473 239 HB3 CYS 35 3HB CYS 35 14.258 -2.210 4.989 240 H TYR 36 H TYR 36 16.460 -1.132 2.823 241 HA TYR 36 HA TYR 36 18.294 -2.856 4.163 242 HB2 TYR 36 2HB TYR 36 19.743 -3.448 2.369 243 HB3 TYR 36 3HB TYR 36 18.119 -3.898 1.862 244 HD1 TYR 36 HD2 TYR 36 16.848 -2.042 0.474 245 HD2 TYR 36 HD1 TYR 36 21.075 -2.273 0.891 246 HE1 TYR 36 HE2 TYR 36 17.117 -0.714 -1.579 247 HE2 TYR 36 HE1 TYR 36 21.357 -0.945 -1.159 248 HH TYR 36 HH TYR 36 19.748 0.864 -2.415 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -0.204 -1.641 -0.645 2 HA2 GLY 1 2HA GLY 1 1.472 -0.125 -1.042 3 HA3 GLY 1 3HA GLY 1 2.023 -1.229 -2.294 4 H PHE 2 H PHE 2 1.776 1.781 -2.103 5 HA PHE 2 HA PHE 2 0.498 2.123 -4.719 6 HB2 PHE 2 2HB PHE 2 -0.646 4.125 -4.046 7 HB3 PHE 2 3HB PHE 2 -1.077 2.853 -2.907 8 HD1 PHE 2 HD2 PHE 2 0.414 2.739 -0.753 9 HD2 PHE 2 HD1 PHE 2 0.007 6.173 -3.235 10 HE1 PHE 2 HE2 PHE 2 1.129 4.171 1.116 11 HE2 PHE 2 HE1 PHE 2 0.723 7.610 -1.370 12 HZ PHE 2 HZ PHE 2 1.284 6.609 0.809 13 H GLY 3 H GLY 3 3.275 1.886 -3.924 14 HA2 GLY 3 2HA GLY 3 4.319 4.118 -5.361 15 HA3 GLY 3 3HA GLY 3 4.665 4.255 -3.643 16 H CYS 4 H CYS 4 6.351 3.754 -6.117 17 HA CYS 4 HA CYS 4 8.317 2.169 -4.945 18 HB2 CYS 4 2HB CYS 4 6.226 0.643 -6.217 19 HB3 CYS 4 3HB CYS 4 7.753 0.393 -7.056 20 HA PRO 5 HA PRO 5 9.428 2.799 -9.599 21 HB2 PRO 5 2HB PRO 5 7.479 3.739 -11.238 22 HB3 PRO 5 3HB PRO 5 7.743 2.015 -10.950 23 HG2 PRO 5 2HG PRO 5 5.725 3.854 -9.722 24 HG3 PRO 5 3HG PRO 5 5.514 2.196 -10.314 25 HD2 PRO 5 2HD PRO 5 5.804 2.778 -7.685 26 HD3 PRO 5 3HD PRO 5 6.398 1.266 -8.399 27 H TRP 6 H TRP 6 6.867 5.087 -8.641 28 HA TRP 6 HA TRP 6 8.791 7.277 -9.082 29 HB2 TRP 6 2HB TRP 6 6.410 8.552 -9.253 30 HB3 TRP 6 3HB TRP 6 7.275 7.909 -10.646 31 HD1 TRP 6 HD1 TRP 6 6.170 5.927 -11.954 32 HE1 TRP 6 HE1 TRP 6 3.897 4.732 -11.782 33 HE3 TRP 6 HE3 TRP 6 4.608 7.799 -7.461 34 HZ2 TRP 6 HZ2 TRP 6 1.728 4.601 -9.980 35 HZ3 TRP 6 HZ3 TRP 6 2.421 7.089 -6.583 36 HH2 TRP 6 HH2 TRP 6 1.012 5.524 -7.818 37 H ASN 7 H ASN 7 6.261 5.944 -7.058 38 HA ASN 7 HA ASN 7 6.528 8.108 -5.125 39 HB2 ASN 7 2HB ASN 7 4.536 6.058 -5.721 40 HB3 ASN 7 3HB ASN 7 4.865 6.200 -3.997 41 HD21 ASN 7 1HD2 ASN 7 2.722 6.975 -3.752 42 HD22 ASN 7 2HD2 ASN 7 2.331 8.616 -4.124 43 H ALA 8 H ALA 8 8.718 6.183 -5.698 44 HA ALA 8 HA ALA 8 9.086 4.235 -3.791 45 HB1 ALA 8 1HB ALA 8 11.400 4.370 -4.221 46 HB2 ALA 8 2HB ALA 8 10.608 4.849 -5.722 47 HB3 ALA 8 3HB ALA 8 11.299 6.075 -4.660 48 H TYR 9 H TYR 9 9.296 7.707 -3.431 49 HA TYR 9 HA TYR 9 10.716 7.948 -1.074 50 HB2 TYR 9 2HB TYR 9 8.994 9.598 -2.641 51 HB3 TYR 9 3HB TYR 9 8.535 9.775 -0.951 52 HD1 TYR 9 HD1 TYR 9 11.748 9.491 -2.855 53 HD2 TYR 9 HD2 TYR 9 9.501 11.580 0.094 54 HE1 TYR 9 HE1 TYR 9 13.640 11.025 -2.509 55 HE2 TYR 9 HE2 TYR 9 11.386 13.120 0.447 56 HH TYR 9 HH TYR 9 14.386 12.566 -0.346 57 H GLU 10 H GLU 10 7.472 6.793 -1.585 58 HA GLU 10 HA GLU 10 6.589 7.011 1.110 59 HB2 GLU 10 2HB GLU 10 4.933 6.842 -0.603 60 HB3 GLU 10 3HB GLU 10 5.634 5.354 -1.222 61 HG2 GLU 10 2HG GLU 10 3.542 5.035 0.067 62 HG3 GLU 10 3HG GLU 10 4.920 4.130 0.693 63 H CYS 11 H CYS 11 7.714 4.231 -0.816 64 HA CYS 11 HA CYS 11 7.702 2.403 1.340 65 HB2 CYS 11 2HB CYS 11 7.917 2.112 -1.320 66 HB3 CYS 11 3HB CYS 11 9.620 1.984 -0.890 67 H ASP 12 H ASP 12 9.993 4.769 0.254 68 HA ASP 12 HA ASP 12 12.285 3.703 1.555 69 HB2 ASP 12 2HB ASP 12 12.744 5.248 -0.157 70 HB3 ASP 12 3HB ASP 12 11.577 6.415 0.461 71 H ARG 13 H ARG 13 10.266 6.526 2.394 72 HA ARG 13 HA ARG 13 11.363 6.915 4.942 73 HB2 ARG 13 2HB ARG 13 8.696 7.675 3.759 74 HB3 ARG 13 3HB ARG 13 9.173 8.141 5.386 75 HG2 ARG 13 2HG ARG 13 11.272 8.819 3.582 76 HG3 ARG 13 3HG ARG 13 9.745 9.444 2.956 77 HD2 ARG 13 2HD ARG 13 9.402 10.808 4.780 78 HD3 ARG 13 3HD ARG 13 10.401 9.816 5.841 79 HE ARG 13 HE ARG 13 11.913 11.055 3.756 80 HH11 ARG 13 1HH1 ARG 13 10.486 11.564 6.890 81 HH12 ARG 13 2HH1 ARG 13 11.592 12.822 7.334 82 HH21 ARG 13 1HH2 ARG 13 13.376 12.709 4.328 83 HH22 ARG 13 2HH2 ARG 13 13.235 13.473 5.876 84 H HIS 14 H HIS 14 9.180 4.550 3.789 85 HA HIS 14 HA HIS 14 7.687 3.981 6.086 86 HB2 HIS 14 2HB HIS 14 7.184 3.037 3.866 87 HB3 HIS 14 3HB HIS 14 8.645 2.058 3.954 88 HD1 HIS 14 HD1 HIS 14 5.108 2.024 4.795 89 HD2 HIS 14 HD2 HIS 14 8.533 0.070 6.103 90 HE1 HIS 14 HE1 HIS 14 4.291 0.011 6.060 91 H CYS 15 H CYS 15 10.847 2.776 5.029 92 HA CYS 15 HA CYS 15 11.143 1.234 7.481 93 HB2 CYS 15 2HB CYS 15 13.019 1.571 5.131 94 HB3 CYS 15 3HB CYS 15 13.257 0.461 6.477 95 H VAL 16 H VAL 16 12.333 4.166 5.992 96 HA VAL 16 HA VAL 16 14.579 4.716 7.493 97 HB VAL 16 HB VAL 16 12.478 6.684 6.574 98 HG11 VAL 16 1HG1 VAL 16 14.364 8.316 6.650 99 HG12 VAL 16 2HG1 VAL 16 13.845 7.735 8.234 100 HG13 VAL 16 3HG1 VAL 16 15.317 7.098 7.498 101 HG21 VAL 16 3HG2 VAL 16 13.220 6.314 4.514 102 HG22 VAL 16 1HG2 VAL 16 14.856 6.735 5.019 103 HG23 VAL 16 2HG2 VAL 16 14.303 5.064 5.126 104 H SER 17 H SER 17 11.224 4.864 8.433 105 HA SER 17 HA SER 17 11.693 6.357 10.842 106 HB2 SER 17 2HB SER 17 9.447 5.691 9.336 107 HB3 SER 17 3HB SER 17 9.244 4.782 10.833 108 HG SER 17 HG SER 17 8.563 7.184 10.582 109 H LYS 18 H LYS 18 11.414 2.972 9.955 110 HA LYS 18 HA LYS 18 11.292 1.959 12.610 111 HB2 LYS 18 2HB LYS 18 11.797 0.788 9.907 112 HB3 LYS 18 3HB LYS 18 12.179 -0.171 11.330 113 HG2 LYS 18 2HG LYS 18 10.055 -0.856 11.120 114 HG3 LYS 18 3HG LYS 18 9.692 0.653 11.962 115 HD2 LYS 18 2HD LYS 18 8.666 1.510 10.172 116 HD3 LYS 18 3HD LYS 18 9.981 1.032 9.096 117 HE2 LYS 18 2HE LYS 18 8.441 -0.358 8.228 118 HE3 LYS 18 3HE LYS 18 8.850 -1.372 9.611 119 HZ1 LYS 18 3HZ LYS 18 6.636 -1.282 9.931 120 HZ2 LYS 18 1HZ LYS 18 6.445 0.175 9.092 121 HZ3 LYS 18 2HZ LYS 18 6.996 0.186 10.691 122 H GLY 19 H GLY 19 13.914 2.644 10.358 123 HA2 GLY 19 2HA GLY 19 15.922 3.349 11.893 124 HA3 GLY 19 3HA GLY 19 15.878 1.637 12.285 125 H TYR 20 H TYR 20 15.240 0.634 9.729 126 HA TYR 20 HA TYR 20 17.739 0.275 8.608 127 HB2 TYR 20 2HB TYR 20 15.137 0.146 7.077 128 HB3 TYR 20 3HB TYR 20 16.626 -0.722 6.720 129 HD1 TYR 20 HD2 TYR 20 17.433 -2.450 8.419 130 HD2 TYR 20 HD1 TYR 20 13.512 -0.800 8.475 131 HE1 TYR 20 HE2 TYR 20 16.661 -4.345 9.783 132 HE2 TYR 20 HE1 TYR 20 12.729 -2.690 9.841 133 HH TYR 20 HH TYR 20 14.228 -5.493 10.131 134 H THR 21 H THR 21 18.510 0.918 6.447 135 HA THR 21 HA THR 21 18.814 3.667 6.204 136 HB THR 21 HB THR 21 20.312 1.961 5.164 137 HG1 THR 21 HG1 THR 21 20.810 3.301 3.436 138 HG21 THR 21 3HG2 THR 21 19.726 1.079 2.954 139 HG22 THR 21 1HG2 THR 21 18.131 1.819 3.078 140 HG23 THR 21 2HG2 THR 21 18.590 0.523 4.183 141 H GLY 22 H GLY 22 16.368 1.549 4.880 142 HA2 GLY 22 2HA GLY 22 14.303 3.157 4.544 143 HA3 GLY 22 3HA GLY 22 15.298 3.685 3.195 144 H GLY 23 H GLY 23 12.680 2.509 3.043 145 HA2 GLY 23 2HA GLY 23 13.146 -0.195 2.042 146 HA3 GLY 23 3HA GLY 23 11.584 0.586 2.241 147 H ASN 24 H ASN 24 13.851 -0.425 0.028 148 HA ASN 24 HA ASN 24 12.759 1.373 -2.036 149 HB2 ASN 24 2HB ASN 24 15.367 -0.034 -2.434 150 HB3 ASN 24 3HB ASN 24 14.809 1.496 -3.103 151 HD21 ASN 24 1HD2 ASN 24 14.070 2.896 -0.921 152 HD22 ASN 24 2HD2 ASN 24 15.430 3.171 0.108 153 H CYS 25 H CYS 25 12.236 0.477 -4.051 154 HA CYS 25 HA CYS 25 11.673 -2.395 -3.946 155 HB2 CYS 25 2HB CYS 25 10.659 -0.414 -5.986 156 HB3 CYS 25 3HB CYS 25 10.018 -2.014 -5.625 157 H ARG 26 H ARG 26 12.132 -3.765 -5.731 158 HA ARG 26 HA ARG 26 13.882 -2.781 -7.825 159 HB2 ARG 26 2HB ARG 26 14.791 -4.642 -5.650 160 HB3 ARG 26 3HB ARG 26 15.503 -4.729 -7.256 161 HG2 ARG 26 2HG ARG 26 15.452 -2.280 -5.505 162 HG3 ARG 26 3HG ARG 26 16.830 -3.362 -5.719 163 HD2 ARG 26 2HD ARG 26 15.878 -2.583 -8.287 164 HD3 ARG 26 3HD ARG 26 16.070 -1.135 -7.299 165 HE ARG 26 HE ARG 26 18.322 -2.906 -7.162 166 HH11 ARG 26 1HH1 ARG 26 16.824 -0.339 -8.975 167 HH12 ARG 26 2HH1 ARG 26 18.311 0.210 -9.675 168 HH21 ARG 26 1HH2 ARG 26 20.286 -2.193 -8.078 169 HH22 ARG 26 2HH2 ARG 26 20.279 -0.846 -9.166 170 H GLY 27 H GLY 27 14.516 -4.651 -9.320 171 HA2 GLY 27 2HA GLY 27 12.088 -6.161 -9.859 172 HA3 GLY 27 3HA GLY 27 13.475 -5.997 -10.926 173 H LYS 28 H LYS 28 13.189 -7.151 -7.573 174 HA LYS 28 HA LYS 28 14.922 -9.377 -8.143 175 HB2 LYS 28 2HB LYS 28 14.458 -9.966 -5.737 176 HB3 LYS 28 3HB LYS 28 15.161 -8.374 -5.994 177 HG2 LYS 28 2HG LYS 28 12.232 -8.416 -5.953 178 HG3 LYS 28 3HG LYS 28 13.001 -8.889 -4.436 179 HD2 LYS 28 2HD LYS 28 13.998 -6.463 -5.850 180 HD3 LYS 28 3HD LYS 28 12.470 -6.362 -4.973 181 HE2 LYS 28 2HE LYS 28 13.992 -5.746 -3.351 182 HE3 LYS 28 3HE LYS 28 13.816 -7.473 -3.043 183 HZ1 LYS 28 3HZ LYS 28 15.875 -7.930 -3.954 184 HZ2 LYS 28 1HZ LYS 28 16.160 -6.467 -3.153 185 HZ3 LYS 28 2HZ LYS 28 15.941 -6.485 -4.830 186 H ILE 29 H ILE 29 11.486 -8.855 -7.695 187 HA ILE 29 HA ILE 29 10.936 -11.465 -8.822 188 HB ILE 29 HB ILE 29 9.266 -11.962 -6.962 189 HG12 ILE 29 2HG1 ILE 29 11.069 -10.301 -5.230 190 HG13 ILE 29 3HG1 ILE 29 9.674 -9.565 -6.011 191 HG21 ILE 29 1HG2 ILE 29 12.047 -12.120 -5.900 192 HG22 ILE 29 2HG2 ILE 29 10.778 -13.343 -5.920 193 HG23 ILE 29 3HG2 ILE 29 11.648 -12.952 -7.403 194 HD11 ILE 29 3HD1 ILE 29 9.769 -11.015 -3.601 195 HD12 ILE 29 1HD1 ILE 29 8.362 -10.321 -4.406 196 HD13 ILE 29 2HD1 ILE 29 8.850 -11.980 -4.755 197 H ARG 30 H ARG 30 10.203 -9.919 -10.462 198 HA ARG 30 HA ARG 30 8.536 -8.902 -11.628 199 HB2 ARG 30 2HB ARG 30 7.263 -10.887 -10.563 200 HB3 ARG 30 3HB ARG 30 6.596 -9.682 -9.469 201 HG2 ARG 30 2HG ARG 30 5.039 -9.233 -10.973 202 HG3 ARG 30 3HG ARG 30 6.297 -8.649 -12.064 203 HD2 ARG 30 2HD ARG 30 6.619 -11.145 -12.650 204 HD3 ARG 30 3HD ARG 30 5.028 -11.359 -11.919 205 HE ARG 30 HE ARG 30 4.912 -9.267 -13.792 206 HH11 ARG 30 1HH1 ARG 30 5.270 -12.727 -13.644 207 HH12 ARG 30 2HH1 ARG 30 4.552 -12.998 -15.197 208 HH21 ARG 30 1HH2 ARG 30 3.965 -9.612 -15.838 209 HH22 ARG 30 2HH2 ARG 30 3.811 -11.226 -16.445 210 H GLN 31 H GLN 31 10.053 -7.378 -9.775 211 HA GLN 31 HA GLN 31 10.120 -5.281 -8.897 212 HB2 GLN 31 2HB GLN 31 7.322 -4.888 -9.949 213 HB3 GLN 31 3HB GLN 31 8.542 -3.660 -9.641 214 HG2 GLN 31 2HG GLN 31 9.917 -4.866 -11.442 215 HG3 GLN 31 3HG GLN 31 8.394 -5.640 -11.877 216 HE21 GLN 31 1HE2 GLN 31 6.679 -4.345 -12.640 217 HE22 GLN 31 2HE2 GLN 31 6.974 -2.787 -13.325 218 H THR 32 H THR 32 10.143 -5.384 -6.743 219 HA THR 32 HA THR 32 7.619 -5.158 -5.315 220 HB THR 32 HB THR 32 8.103 -7.607 -5.416 221 HG1 THR 32 HG1 THR 32 8.421 -6.715 -2.750 222 HG21 THR 32 3HG2 THR 32 10.531 -7.538 -5.391 223 HG22 THR 32 1HG2 THR 32 9.944 -8.475 -4.019 224 HG23 THR 32 2HG2 THR 32 10.517 -6.824 -3.779 225 H CYS 33 H CYS 33 7.951 -4.628 -3.004 226 HA CYS 33 HA CYS 33 10.127 -2.740 -2.743 227 HB2 CYS 33 2HB CYS 33 7.509 -2.931 -1.733 228 HB3 CYS 33 3HB CYS 33 8.570 -3.069 -0.335 229 H HIS 34 H HIS 34 11.645 -2.719 -1.032 230 HA HIS 34 HA HIS 34 11.896 -4.970 0.736 231 HB2 HIS 34 2HB HIS 34 12.872 -5.576 -1.641 232 HB3 HIS 34 3HB HIS 34 14.246 -4.629 -1.080 233 HD1 HIS 34 HD1 HIS 34 15.943 -5.892 0.203 234 HD2 HIS 34 HD2 HIS 34 12.236 -7.766 0.273 235 HE1 HIS 34 HE1 HIS 34 16.309 -8.062 1.421 236 H CYS 35 H CYS 35 13.051 -4.453 2.518 237 HA CYS 35 HA CYS 35 14.231 -1.771 2.586 238 HB2 CYS 35 2HB CYS 35 13.245 -3.618 4.761 239 HB3 CYS 35 3HB CYS 35 14.138 -2.138 5.099 240 H TYR 36 H TYR 36 16.338 -1.411 3.046 241 HA TYR 36 HA TYR 36 18.061 -3.779 3.244 242 HB2 TYR 36 2HB TYR 36 18.784 -0.941 2.486 243 HB3 TYR 36 3HB TYR 36 19.864 -2.329 2.445 244 HD1 TYR 36 HD1 TYR 36 18.923 -4.364 0.988 245 HD2 TYR 36 HD2 TYR 36 17.818 -0.285 0.499 246 HE1 TYR 36 HE1 TYR 36 18.240 -4.834 -1.327 247 HE2 TYR 36 HE2 TYR 36 17.130 -0.743 -1.818 248 HH TYR 36 HH TYR 36 17.470 -2.319 -3.561 Start of MODEL 14 1 H1 GLY 1 H GLY 1 0.354 -1.153 -1.360 2 HA2 GLY 1 2HA GLY 1 2.487 -0.230 -1.732 3 HA3 GLY 1 3HA GLY 1 2.632 -1.207 -3.185 4 H PHE 2 H PHE 2 2.200 1.871 -2.038 5 HA PHE 2 HA PHE 2 1.051 2.756 -4.603 6 HB2 PHE 2 2HB PHE 2 0.829 4.278 -2.006 7 HB3 PHE 2 3HB PHE 2 -0.036 4.576 -3.510 8 HD1 PHE 2 HD2 PHE 2 0.229 2.373 -0.583 9 HD2 PHE 2 HD1 PHE 2 -1.996 3.345 -4.079 10 HE1 PHE 2 HE2 PHE 2 -1.626 0.966 0.211 11 HE2 PHE 2 HE1 PHE 2 -3.856 1.940 -3.290 12 HZ PHE 2 HZ PHE 2 -3.672 0.748 -1.143 13 H GLY 3 H GLY 3 3.602 2.433 -4.829 14 HA2 GLY 3 2HA GLY 3 4.769 4.713 -5.634 15 HA3 GLY 3 3HA GLY 3 5.107 4.737 -3.910 16 H CYS 4 H CYS 4 6.822 4.423 -6.381 17 HA CYS 4 HA CYS 4 8.770 2.743 -5.309 18 HB2 CYS 4 2HB CYS 4 6.704 1.337 -6.748 19 HB3 CYS 4 3HB CYS 4 8.248 1.157 -7.575 20 HA PRO 5 HA PRO 5 9.973 3.769 -9.868 21 HB2 PRO 5 2HB PRO 5 8.055 4.840 -11.463 22 HB3 PRO 5 3HB PRO 5 8.319 3.098 -11.314 23 HG2 PRO 5 2HG PRO 5 6.270 4.823 -9.979 24 HG3 PRO 5 3HG PRO 5 6.077 3.220 -10.712 25 HD2 PRO 5 2HD PRO 5 6.310 3.581 -8.039 26 HD3 PRO 5 3HD PRO 5 6.925 2.134 -8.865 27 H TRP 6 H TRP 6 7.390 5.960 -8.758 28 HA TRP 6 HA TRP 6 9.314 8.183 -8.973 29 HB2 TRP 6 2HB TRP 6 6.931 9.464 -9.096 30 HB3 TRP 6 3HB TRP 6 7.839 8.949 -10.515 31 HD1 TRP 6 HD1 TRP 6 6.785 7.081 -12.021 32 HE1 TRP 6 HE1 TRP 6 4.515 5.869 -12.020 33 HE3 TRP 6 HE3 TRP 6 5.081 8.554 -7.432 34 HZ2 TRP 6 HZ2 TRP 6 2.295 5.577 -10.301 35 HZ3 TRP 6 HZ3 TRP 6 2.874 7.765 -6.684 36 HH2 TRP 6 HH2 TRP 6 1.511 6.307 -8.091 37 H ASN 7 H ASN 7 6.722 6.694 -7.141 38 HA ASN 7 HA ASN 7 6.945 8.681 -5.023 39 HB2 ASN 7 2HB ASN 7 4.968 6.686 -5.838 40 HB3 ASN 7 3HB ASN 7 5.239 6.714 -4.098 41 HD21 ASN 7 1HD2 ASN 7 3.078 7.472 -3.895 42 HD22 ASN 7 2HD2 ASN 7 2.706 9.137 -4.164 43 H ALA 8 H ALA 8 9.102 6.712 -5.736 44 HA ALA 8 HA ALA 8 9.384 4.654 -3.926 45 HB1 ALA 8 1HB ALA 8 11.143 6.209 -5.619 46 HB2 ALA 8 2HB ALA 8 11.941 5.708 -4.128 47 HB3 ALA 8 3HB ALA 8 11.212 4.500 -5.186 48 H TYR 9 H TYR 9 9.796 8.094 -3.419 49 HA TYR 9 HA TYR 9 11.213 8.126 -1.042 50 HB2 TYR 9 2HB TYR 9 9.902 10.005 -2.598 51 HB3 TYR 9 3HB TYR 9 9.039 10.073 -1.066 52 HD1 TYR 9 HD2 TYR 9 12.616 9.755 -2.127 53 HD2 TYR 9 HD1 TYR 9 9.771 11.740 0.337 54 HE1 TYR 9 HE2 TYR 9 14.412 11.147 -1.185 55 HE2 TYR 9 HE1 TYR 9 11.559 13.138 1.285 56 HH TYR 9 HH TYR 9 14.160 12.850 1.580 57 H GLU 10 H GLU 10 7.908 7.233 -1.639 58 HA GLU 10 HA GLU 10 7.010 7.421 1.061 59 HB2 GLU 10 2HB GLU 10 5.363 7.487 -0.668 60 HB3 GLU 10 3HB GLU 10 5.933 5.972 -1.356 61 HG2 GLU 10 2HG GLU 10 3.786 5.881 -0.033 62 HG3 GLU 10 3HG GLU 10 5.028 4.706 0.396 63 H CYS 11 H CYS 11 8.009 4.690 -0.991 64 HA CYS 11 HA CYS 11 7.796 2.766 1.099 65 HB2 CYS 11 2HB CYS 11 7.865 2.507 -1.542 66 HB3 CYS 11 3HB CYS 11 9.588 2.304 -1.242 67 H ASP 12 H ASP 12 10.229 5.002 0.120 68 HA ASP 12 HA ASP 12 12.426 3.638 1.371 69 HB2 ASP 12 2HB ASP 12 12.973 5.079 -0.449 70 HB3 ASP 12 3HB ASP 12 12.093 6.426 0.267 71 H ARG 13 H ARG 13 10.647 6.637 2.126 72 HA ARG 13 HA ARG 13 11.840 7.131 4.597 73 HB2 ARG 13 2HB ARG 13 10.115 8.692 4.985 74 HB3 ARG 13 3HB ARG 13 10.318 8.659 3.238 75 HG2 ARG 13 2HG ARG 13 8.066 8.537 3.302 76 HG3 ARG 13 3HG ARG 13 8.409 6.813 3.462 77 HD2 ARG 13 2HD ARG 13 7.155 6.897 5.309 78 HD3 ARG 13 3HD ARG 13 8.530 7.707 6.057 79 HE ARG 13 HE ARG 13 7.165 9.736 4.895 80 HH11 ARG 13 1HH1 ARG 13 6.267 7.175 7.075 81 HH12 ARG 13 2HH1 ARG 13 5.016 8.092 7.846 82 HH21 ARG 13 1HH2 ARG 13 5.521 10.955 5.902 83 HH22 ARG 13 2HH2 ARG 13 4.592 10.242 7.177 84 H HIS 14 H HIS 14 9.475 4.797 3.683 85 HA HIS 14 HA HIS 14 8.155 4.348 6.097 86 HB2 HIS 14 2HB HIS 14 7.381 3.303 4.065 87 HB3 HIS 14 3HB HIS 14 8.892 2.415 3.893 88 HD1 HIS 14 HD1 HIS 14 5.808 2.539 6.069 89 HD2 HIS 14 HD2 HIS 14 8.984 0.005 5.202 90 HE1 HIS 14 HE1 HIS 14 5.260 0.362 7.204 91 H CYS 15 H CYS 15 11.209 3.020 4.888 92 HA CYS 15 HA CYS 15 11.630 1.566 7.375 93 HB2 CYS 15 2HB CYS 15 13.374 1.770 4.911 94 HB3 CYS 15 3HB CYS 15 13.644 0.689 6.274 95 H VAL 16 H VAL 16 12.766 4.420 5.710 96 HA VAL 16 HA VAL 16 15.122 4.968 7.041 97 HB VAL 16 HB VAL 16 13.015 6.959 6.187 98 HG11 VAL 16 1HG1 VAL 16 15.091 8.449 5.985 99 HG12 VAL 16 2HG1 VAL 16 14.450 8.146 7.601 100 HG13 VAL 16 3HG1 VAL 16 15.875 7.272 7.038 101 HG21 VAL 16 3HG2 VAL 16 15.421 6.618 4.554 102 HG22 VAL 16 1HG2 VAL 16 14.372 5.201 4.601 103 HG23 VAL 16 2HG2 VAL 16 13.730 6.755 4.070 104 H SER 17 H SER 17 11.842 5.212 8.185 105 HA SER 17 HA SER 17 12.487 6.796 10.495 106 HB2 SER 17 2HB SER 17 10.098 5.875 11.165 107 HB3 SER 17 3HB SER 17 10.273 7.111 9.919 108 HG SER 17 HG SER 17 8.941 5.113 9.486 109 H LYS 18 H LYS 18 11.975 3.377 9.805 110 HA LYS 18 HA LYS 18 12.035 2.474 12.483 111 HB2 LYS 18 2HB LYS 18 12.397 1.185 9.808 112 HB3 LYS 18 3HB LYS 18 12.813 0.278 11.256 113 HG2 LYS 18 2HG LYS 18 10.665 -0.364 11.143 114 HG3 LYS 18 3HG LYS 18 10.375 1.178 11.952 115 HD2 LYS 18 2HD LYS 18 9.324 2.031 10.169 116 HD3 LYS 18 3HD LYS 18 10.551 1.427 9.053 117 HE2 LYS 18 2HE LYS 18 8.714 0.227 8.375 118 HE3 LYS 18 3HE LYS 18 9.425 -0.884 9.545 119 HZ1 LYS 18 3HZ LYS 18 7.287 1.050 10.238 120 HZ2 LYS 18 1HZ LYS 18 7.850 -0.246 11.170 121 HZ3 LYS 18 2HZ LYS 18 6.974 -0.540 9.753 122 H GLY 19 H GLY 19 14.551 2.990 10.063 123 HA2 GLY 19 2HA GLY 19 16.643 3.726 11.488 124 HA3 GLY 19 3HA GLY 19 16.596 2.022 11.917 125 H TYR 20 H TYR 20 15.827 0.962 9.431 126 HA TYR 20 HA TYR 20 18.256 0.554 8.186 127 HB2 TYR 20 2HB TYR 20 15.574 0.421 6.799 128 HB3 TYR 20 3HB TYR 20 17.034 -0.469 6.379 129 HD1 TYR 20 HD1 TYR 20 17.973 -2.030 8.274 130 HD2 TYR 20 HD2 TYR 20 13.963 -0.621 8.094 131 HE1 TYR 20 HE1 TYR 20 17.262 -3.889 9.719 132 HE2 TYR 20 HE2 TYR 20 13.240 -2.475 9.539 133 HH TYR 20 HH TYR 20 13.869 -4.496 10.394 134 H THR 21 H THR 21 18.776 1.082 5.860 135 HA THR 21 HA THR 21 19.121 3.856 5.573 136 HB THR 21 HB THR 21 20.588 2.120 4.531 137 HG1 THR 21 HG1 THR 21 21.001 3.405 2.731 138 HG21 THR 21 3HG2 THR 21 19.967 0.994 2.547 139 HG22 THR 21 1HG2 THR 21 18.504 1.961 2.363 140 HG23 THR 21 2HG2 THR 21 18.617 0.770 3.659 141 H GLY 22 H GLY 22 16.628 1.684 4.452 142 HA2 GLY 22 2HA GLY 22 14.527 3.213 4.139 143 HA3 GLY 22 3HA GLY 22 15.464 3.781 2.765 144 H GLY 23 H GLY 23 12.855 2.361 2.922 145 HA2 GLY 23 2HA GLY 23 13.406 -0.253 1.786 146 HA3 GLY 23 3HA GLY 23 11.820 0.444 2.083 147 H ASN 24 H ASN 24 13.862 -0.543 -0.283 148 HA ASN 24 HA ASN 24 12.664 1.297 -2.250 149 HB2 ASN 24 2HB ASN 24 15.208 -0.154 -2.853 150 HB3 ASN 24 3HB ASN 24 14.630 1.393 -3.466 151 HD21 ASN 24 1HD2 ASN 24 14.096 2.802 -1.242 152 HD22 ASN 24 2HD2 ASN 24 15.532 3.036 -0.309 153 H CYS 25 H CYS 25 12.447 0.340 -4.449 154 HA CYS 25 HA CYS 25 11.537 -2.444 -4.218 155 HB2 CYS 25 2HB CYS 25 10.829 -0.480 -6.399 156 HB3 CYS 25 3HB CYS 25 10.028 -2.001 -6.019 157 H ARG 26 H ARG 26 12.551 -4.015 -5.282 158 HA ARG 26 HA ARG 26 14.375 -3.266 -7.472 159 HB2 ARG 26 2HB ARG 26 14.773 -5.284 -5.265 160 HB3 ARG 26 3HB ARG 26 15.748 -5.268 -6.728 161 HG2 ARG 26 2HG ARG 26 15.589 -2.671 -5.409 162 HG3 ARG 26 3HG ARG 26 16.321 -3.933 -4.415 163 HD2 ARG 26 2HD ARG 26 17.881 -2.581 -5.903 164 HD3 ARG 26 3HD ARG 26 18.018 -4.337 -5.986 165 HE ARG 26 HE ARG 26 16.255 -3.187 -7.955 166 HH11 ARG 26 1HH1 ARG 26 19.525 -4.115 -7.199 167 HH12 ARG 26 2HH1 ARG 26 20.002 -4.271 -8.857 168 HH21 ARG 26 1HH2 ARG 26 16.872 -3.390 -10.142 169 HH22 ARG 26 2HH2 ARG 26 18.493 -3.858 -10.530 170 H GLY 27 H GLY 27 15.028 -5.425 -8.690 171 HA2 GLY 27 2HA GLY 27 12.491 -6.554 -9.599 172 HA3 GLY 27 3HA GLY 27 14.033 -6.653 -10.437 173 H LYS 28 H LYS 28 13.495 -7.460 -7.054 174 HA LYS 28 HA LYS 28 14.901 -9.829 -7.069 175 HB2 LYS 28 2HB LYS 28 13.434 -10.424 -5.050 176 HB3 LYS 28 3HB LYS 28 14.382 -8.945 -4.960 177 HG2 LYS 28 2HG LYS 28 11.695 -8.577 -6.056 178 HG3 LYS 28 3HG LYS 28 11.731 -9.148 -4.386 179 HD2 LYS 28 2HD LYS 28 13.566 -6.932 -5.097 180 HD3 LYS 28 3HD LYS 28 11.842 -6.558 -5.033 181 HE2 LYS 28 2HE LYS 28 11.942 -6.461 -2.817 182 HE3 LYS 28 3HE LYS 28 12.489 -8.136 -2.762 183 HZ1 LYS 28 3HZ LYS 28 14.266 -7.158 -1.798 184 HZ2 LYS 28 1HZ LYS 28 14.031 -5.670 -2.569 185 HZ3 LYS 28 2HZ LYS 28 14.755 -6.951 -3.404 186 H ILE 29 H ILE 29 11.602 -9.234 -8.038 187 HA ILE 29 HA ILE 29 11.472 -11.866 -9.240 188 HB ILE 29 HB ILE 29 9.157 -12.241 -8.229 189 HG12 ILE 29 2HG1 ILE 29 10.266 -10.276 -6.213 190 HG13 ILE 29 3HG1 ILE 29 8.864 -10.020 -7.246 191 HG21 ILE 29 1HG2 ILE 29 11.518 -12.450 -6.368 192 HG22 ILE 29 2HG2 ILE 29 10.057 -13.436 -6.340 193 HG23 ILE 29 3HG2 ILE 29 11.180 -13.561 -7.695 194 HD11 ILE 29 3HD1 ILE 29 7.625 -10.800 -5.589 195 HD12 ILE 29 1HD1 ILE 29 8.328 -12.388 -5.896 196 HD13 ILE 29 2HD1 ILE 29 9.049 -11.323 -4.689 197 H ARG 30 H ARG 30 9.827 -8.816 -8.533 198 HA ARG 30 HA ARG 30 9.289 -8.245 -11.229 199 HB2 ARG 30 2HB ARG 30 7.613 -10.176 -10.538 200 HB3 ARG 30 3HB ARG 30 6.714 -8.835 -9.841 201 HG2 ARG 30 2HG ARG 30 6.993 -7.743 -12.164 202 HG3 ARG 30 3HG ARG 30 7.369 -9.380 -12.705 203 HD2 ARG 30 2HD ARG 30 4.862 -8.550 -11.246 204 HD3 ARG 30 3HD ARG 30 4.988 -8.820 -12.984 205 HE ARG 30 HE ARG 30 5.834 -11.085 -11.459 206 HH11 ARG 30 1HH1 ARG 30 3.056 -9.414 -12.728 207 HH12 ARG 30 2HH1 ARG 30 2.060 -10.832 -12.772 208 HH21 ARG 30 1HH2 ARG 30 4.533 -12.958 -11.511 209 HH22 ARG 30 2HH2 ARG 30 2.901 -12.847 -12.078 210 H GLN 31 H GLN 31 10.417 -6.623 -9.560 211 HA GLN 31 HA GLN 31 10.367 -4.524 -8.686 212 HB2 GLN 31 2HB GLN 31 7.526 -4.341 -9.686 213 HB3 GLN 31 3HB GLN 31 8.645 -3.018 -9.380 214 HG2 GLN 31 2HG GLN 31 9.933 -4.648 -11.238 215 HG3 GLN 31 3HG GLN 31 8.252 -4.575 -11.764 216 HE21 GLN 31 1HE2 GLN 31 7.442 -2.120 -11.193 217 HE22 GLN 31 2HE2 GLN 31 8.394 -0.930 -12.006 218 H THR 32 H THR 32 10.354 -5.855 -6.652 219 HA THR 32 HA THR 32 7.886 -5.387 -5.110 220 HB THR 32 HB THR 32 10.044 -7.369 -4.390 221 HG1 THR 32 HG1 THR 32 8.185 -8.823 -5.214 222 HG21 THR 32 3HG2 THR 32 7.911 -8.366 -3.244 223 HG22 THR 32 1HG2 THR 32 7.306 -6.717 -3.385 224 HG23 THR 32 2HG2 THR 32 8.786 -7.038 -2.482 225 H CYS 33 H CYS 33 7.994 -4.371 -3.142 226 HA CYS 33 HA CYS 33 10.308 -2.719 -2.688 227 HB2 CYS 33 2HB CYS 33 7.538 -2.654 -1.992 228 HB3 CYS 33 3HB CYS 33 8.484 -2.540 -0.511 229 H HIS 34 H HIS 34 11.677 -2.742 -0.917 230 HA HIS 34 HA HIS 34 11.384 -4.676 1.188 231 HB2 HIS 34 2HB HIS 34 12.431 -5.813 -0.959 232 HB3 HIS 34 3HB HIS 34 13.900 -5.032 -0.383 233 HD1 HIS 34 HD1 HIS 34 11.433 -7.706 0.521 234 HD2 HIS 34 HD2 HIS 34 15.035 -6.157 1.896 235 HE1 HIS 34 HE1 HIS 34 12.248 -9.335 2.255 236 H CYS 35 H CYS 35 12.968 -4.429 2.861 237 HA CYS 35 HA CYS 35 14.182 -1.760 2.836 238 HB2 CYS 35 2HB CYS 35 13.423 -3.628 5.083 239 HB3 CYS 35 3HB CYS 35 14.360 -2.160 5.337 240 H TYR 36 H TYR 36 16.311 -1.509 2.711 241 HA TYR 36 HA TYR 36 18.177 -3.307 3.893 242 HB2 TYR 36 2HB TYR 36 19.201 -4.240 1.959 243 HB3 TYR 36 3HB TYR 36 17.474 -4.533 1.789 244 HD1 TYR 36 HD2 TYR 36 16.230 -2.457 0.542 245 HD2 TYR 36 HD1 TYR 36 20.299 -3.597 0.045 246 HE1 TYR 36 HE2 TYR 36 16.259 -1.369 -1.663 247 HE2 TYR 36 HE1 TYR 36 20.340 -2.511 -2.162 248 HH TYR 36 HH TYR 36 18.662 -0.373 -3.191 Start of MODEL 15 1 H1 GLY 1 H GLY 1 1.137 -2.507 -3.240 2 HA2 GLY 1 2HA GLY 1 1.761 -0.494 -1.286 3 HA3 GLY 1 3HA GLY 1 2.787 -1.013 -2.615 4 H PHE 2 H PHE 2 1.774 1.672 -1.470 5 HA PHE 2 HA PHE 2 0.718 2.794 -3.972 6 HB2 PHE 2 2HB PHE 2 0.821 4.150 -1.275 7 HB3 PHE 2 3HB PHE 2 -0.107 4.640 -2.689 8 HD1 PHE 2 HD2 PHE 2 0.130 2.216 0.057 9 HD2 PHE 2 HD1 PHE 2 -2.203 3.624 -3.213 10 HE1 PHE 2 HE2 PHE 2 -1.796 0.924 0.879 11 HE2 PHE 2 HE1 PHE 2 -4.133 2.335 -2.395 12 HZ PHE 2 HZ PHE 2 -3.930 0.982 -0.348 13 H GLY 3 H GLY 3 3.167 2.339 -4.508 14 HA2 GLY 3 2HA GLY 3 4.490 4.436 -5.355 15 HA3 GLY 3 3HA GLY 3 4.856 4.573 -3.641 16 H CYS 4 H CYS 4 6.498 3.981 -6.125 17 HA CYS 4 HA CYS 4 8.407 2.325 -4.955 18 HB2 CYS 4 2HB CYS 4 6.244 0.878 -6.197 19 HB3 CYS 4 3HB CYS 4 7.752 0.557 -7.046 20 HA PRO 5 HA PRO 5 9.504 2.870 -9.623 21 HB2 PRO 5 2HB PRO 5 7.582 3.877 -11.255 22 HB3 PRO 5 3HB PRO 5 7.776 2.146 -10.954 23 HG2 PRO 5 2HG PRO 5 5.847 4.077 -9.725 24 HG3 PRO 5 3HG PRO 5 5.562 2.425 -10.301 25 HD2 PRO 5 2HD PRO 5 5.899 3.016 -7.680 26 HD3 PRO 5 3HD PRO 5 6.424 1.474 -8.386 27 H TRP 6 H TRP 6 7.048 5.271 -8.665 28 HA TRP 6 HA TRP 6 9.057 7.375 -9.141 29 HB2 TRP 6 2HB TRP 6 6.730 8.747 -9.302 30 HB3 TRP 6 3HB TRP 6 7.555 8.057 -10.697 31 HD1 TRP 6 HD1 TRP 6 6.357 6.111 -11.978 32 HE1 TRP 6 HE1 TRP 6 4.038 5.013 -11.776 33 HE3 TRP 6 HE3 TRP 6 4.914 8.084 -7.488 34 HZ2 TRP 6 HZ2 TRP 6 1.881 4.988 -9.954 35 HZ3 TRP 6 HZ3 TRP 6 2.708 7.473 -6.586 36 HH2 TRP 6 HH2 TRP 6 1.224 5.958 -7.795 37 H ASN 7 H ASN 7 6.493 6.165 -7.083 38 HA ASN 7 HA ASN 7 6.867 8.332 -5.171 39 HB2 ASN 7 2HB ASN 7 4.786 6.361 -5.733 40 HB3 ASN 7 3HB ASN 7 5.137 6.504 -4.013 41 HD21 ASN 7 1HD2 ASN 7 3.007 7.357 -3.793 42 HD22 ASN 7 2HD2 ASN 7 2.690 9.014 -4.162 43 H ALA 8 H ALA 8 8.972 6.317 -5.745 44 HA ALA 8 HA ALA 8 9.277 4.369 -3.828 45 HB1 ALA 8 1HB ALA 8 11.547 6.120 -4.738 46 HB2 ALA 8 2HB ALA 8 11.598 4.421 -4.266 47 HB3 ALA 8 3HB ALA 8 10.808 4.895 -5.770 48 H TYR 9 H TYR 9 9.628 7.832 -3.492 49 HA TYR 9 HA TYR 9 11.073 8.032 -1.148 50 HB2 TYR 9 2HB TYR 9 9.448 9.745 -2.724 51 HB3 TYR 9 3HB TYR 9 8.934 9.932 -1.051 52 HD1 TYR 9 HD2 TYR 9 10.674 10.531 0.686 53 HD2 TYR 9 HD1 TYR 9 11.447 10.724 -3.494 54 HE1 TYR 9 HE2 TYR 9 12.594 12.007 1.115 55 HE2 TYR 9 HE1 TYR 9 13.370 12.200 -3.076 56 HH TYR 9 HH TYR 9 14.874 12.516 -0.295 57 H GLU 10 H GLU 10 7.782 7.003 -1.626 58 HA GLU 10 HA GLU 10 6.937 7.268 1.079 59 HB2 GLU 10 2HB GLU 10 5.255 7.173 -0.616 60 HB3 GLU 10 3HB GLU 10 5.881 5.654 -1.241 61 HG2 GLU 10 2HG GLU 10 3.764 5.541 0.136 62 HG3 GLU 10 3HG GLU 10 5.062 4.434 0.580 63 H CYS 11 H CYS 11 7.922 4.443 -0.859 64 HA CYS 11 HA CYS 11 7.849 2.616 1.299 65 HB2 CYS 11 2HB CYS 11 8.027 2.320 -1.366 66 HB3 CYS 11 3HB CYS 11 9.723 2.106 -0.947 67 H ASP 12 H ASP 12 10.217 4.895 0.208 68 HA ASP 12 HA ASP 12 12.475 3.720 1.486 69 HB2 ASP 12 2HB ASP 12 13.015 5.220 -0.232 70 HB3 ASP 12 3HB ASP 12 11.885 6.439 0.352 71 H ARG 13 H ARG 13 10.607 6.648 2.313 72 HA ARG 13 HA ARG 13 11.739 7.008 4.847 73 HB2 ARG 13 2HB ARG 13 9.099 7.879 3.680 74 HB3 ARG 13 3HB ARG 13 9.614 8.340 5.298 75 HG2 ARG 13 2HG ARG 13 11.678 8.874 3.353 76 HG3 ARG 13 3HG ARG 13 10.161 9.668 2.924 77 HD2 ARG 13 2HD ARG 13 10.151 10.349 5.449 78 HD3 ARG 13 3HD ARG 13 11.881 10.029 5.337 79 HE ARG 13 HE ARG 13 11.414 11.655 3.226 80 HH11 ARG 13 1HH1 ARG 13 10.679 11.867 6.623 81 HH12 ARG 13 2HH1 ARG 13 10.764 13.597 6.666 82 HH21 ARG 13 1HH2 ARG 13 11.529 13.932 3.271 83 HH22 ARG 13 2HH2 ARG 13 11.246 14.771 4.759 84 H HIS 14 H HIS 14 9.423 4.746 3.736 85 HA HIS 14 HA HIS 14 7.932 4.267 6.052 86 HB2 HIS 14 2HB HIS 14 7.325 3.322 3.880 87 HB3 HIS 14 3HB HIS 14 8.772 2.318 3.895 88 HD1 HIS 14 HD1 HIS 14 5.296 2.471 5.124 89 HD2 HIS 14 HD2 HIS 14 8.691 0.168 5.783 90 HE1 HIS 14 HE1 HIS 14 4.493 0.421 6.339 91 H CYS 15 H CYS 15 11.020 2.903 4.979 92 HA CYS 15 HA CYS 15 11.265 1.370 7.441 93 HB2 CYS 15 2HB CYS 15 13.141 1.598 5.078 94 HB3 CYS 15 3HB CYS 15 13.325 0.483 6.428 95 H VAL 16 H VAL 16 12.586 4.226 5.913 96 HA VAL 16 HA VAL 16 14.865 4.680 7.395 97 HB VAL 16 HB VAL 16 12.861 6.743 6.470 98 HG11 VAL 16 1HG1 VAL 16 15.720 7.010 7.380 99 HG12 VAL 16 2HG1 VAL 16 14.846 8.267 6.502 100 HG13 VAL 16 3HG1 VAL 16 14.288 7.752 8.094 101 HG21 VAL 16 3HG2 VAL 16 13.558 6.306 4.407 102 HG22 VAL 16 1HG2 VAL 16 15.219 6.655 4.889 103 HG23 VAL 16 2HG2 VAL 16 14.587 5.014 5.024 104 H SER 17 H SER 17 11.529 5.000 8.353 105 HA SER 17 HA SER 17 12.080 6.500 10.739 106 HB2 SER 17 2HB SER 17 9.787 5.853 9.259 107 HB3 SER 17 3HB SER 17 9.568 5.062 10.820 108 HG SER 17 HG SER 17 8.796 7.121 11.036 109 H LYS 18 H LYS 18 11.544 3.113 9.926 110 HA LYS 18 HA LYS 18 11.425 2.144 12.582 111 HB2 LYS 18 2HB LYS 18 11.895 0.913 9.897 112 HB3 LYS 18 3HB LYS 18 12.214 -0.041 11.340 113 HG2 LYS 18 2HG LYS 18 10.061 -0.625 11.104 114 HG3 LYS 18 3HG LYS 18 9.766 0.904 11.934 115 HD2 LYS 18 2HD LYS 18 8.823 1.820 10.123 116 HD3 LYS 18 3HD LYS 18 10.097 1.222 9.058 117 HE2 LYS 18 2HE LYS 18 8.357 0.016 8.231 118 HE3 LYS 18 3HE LYS 18 8.859 -1.084 9.514 119 HZ1 LYS 18 3HZ LYS 18 6.544 -0.864 9.713 120 HZ2 LYS 18 1HZ LYS 18 6.590 0.818 9.532 121 HZ3 LYS 18 2HZ LYS 18 7.181 0.103 10.946 122 H GLY 19 H GLY 19 14.080 2.656 10.316 123 HA2 GLY 19 2HA GLY 19 16.108 3.296 11.878 124 HA3 GLY 19 3HA GLY 19 15.998 1.580 12.244 125 H TYR 20 H TYR 20 15.336 0.629 9.681 126 HA TYR 20 HA TYR 20 17.817 0.194 8.556 127 HB2 TYR 20 2HB TYR 20 15.215 0.194 7.020 128 HB3 TYR 20 3HB TYR 20 16.670 -0.724 6.647 129 HD1 TYR 20 HD1 TYR 20 17.382 -2.558 8.234 130 HD2 TYR 20 HD2 TYR 20 13.578 -0.668 8.479 131 HE1 TYR 20 HE1 TYR 20 16.536 -4.446 9.564 132 HE2 TYR 20 HE2 TYR 20 12.722 -2.550 9.811 133 HH TYR 20 HH TYR 20 14.818 -5.043 11.029 134 H THR 21 H THR 21 18.409 0.769 6.226 135 HA THR 21 HA THR 21 18.877 3.548 6.080 136 HB THR 21 HB THR 21 20.343 1.804 5.050 137 HG1 THR 21 HG1 THR 21 20.491 3.102 2.965 138 HG21 THR 21 3HG2 THR 21 18.113 0.798 3.932 139 HG22 THR 21 1HG2 THR 21 19.729 0.525 3.281 140 HG23 THR 21 2HG2 THR 21 18.701 1.782 2.592 141 H GLY 22 H GLY 22 16.366 1.503 4.789 142 HA2 GLY 22 2HA GLY 22 14.345 3.129 4.419 143 HA3 GLY 22 3HA GLY 22 15.363 3.672 3.093 144 H GLY 23 H GLY 23 12.699 2.415 3.052 145 HA2 GLY 23 2HA GLY 23 13.154 -0.236 1.959 146 HA3 GLY 23 3HA GLY 23 11.602 0.568 2.139 147 H ASN 24 H ASN 24 13.807 -0.520 -0.061 148 HA ASN 24 HA ASN 24 12.842 1.361 -2.115 149 HB2 ASN 24 2HB ASN 24 15.363 -0.209 -2.493 150 HB3 ASN 24 3HB ASN 24 14.900 1.344 -3.185 151 HD21 ASN 24 1HD2 ASN 24 14.212 2.791 -1.001 152 HD22 ASN 24 2HD2 ASN 24 15.583 3.006 0.028 153 H CYS 25 H CYS 25 12.356 0.503 -4.180 154 HA CYS 25 HA CYS 25 11.633 -2.343 -4.100 155 HB2 CYS 25 2HB CYS 25 10.620 -0.280 -6.055 156 HB3 CYS 25 3HB CYS 25 9.937 -1.865 -5.708 157 H ARG 26 H ARG 26 12.080 -3.708 -5.853 158 HA ARG 26 HA ARG 26 13.795 -2.701 -7.984 159 HB2 ARG 26 2HB ARG 26 14.634 -4.958 -6.154 160 HB3 ARG 26 3HB ARG 26 15.488 -4.446 -7.604 161 HG2 ARG 26 2HG ARG 26 15.009 -2.669 -5.224 162 HG3 ARG 26 3HG ARG 26 16.472 -3.624 -5.471 163 HD2 ARG 26 2HD ARG 26 15.988 -2.213 -7.867 164 HD3 ARG 26 3HD ARG 26 15.785 -1.065 -6.543 165 HE ARG 26 HE ARG 26 18.111 -2.397 -5.979 166 HH11 ARG 26 1HH1 ARG 26 16.902 -0.512 -8.645 167 HH12 ARG 26 2HH1 ARG 26 18.466 0.070 -9.112 168 HH21 ARG 26 1HH2 ARG 26 20.175 -1.638 -6.584 169 HH22 ARG 26 2HH2 ARG 26 20.327 -0.571 -7.940 170 H GLY 27 H GLY 27 14.465 -4.791 -9.372 171 HA2 GLY 27 2HA GLY 27 11.905 -6.000 -10.090 172 HA3 GLY 27 3HA GLY 27 13.364 -5.996 -11.069 173 H LYS 28 H LYS 28 13.161 -6.966 -7.690 174 HA LYS 28 HA LYS 28 14.599 -9.342 -8.076 175 HB2 LYS 28 2HB LYS 28 13.704 -9.938 -5.777 176 HB3 LYS 28 3HB LYS 28 14.583 -8.419 -5.896 177 HG2 LYS 28 2HG LYS 28 11.828 -7.902 -6.376 178 HG3 LYS 28 3HG LYS 28 11.975 -8.872 -4.908 179 HD2 LYS 28 2HD LYS 28 13.816 -6.559 -5.283 180 HD3 LYS 28 3HD LYS 28 12.139 -6.241 -4.833 181 HE2 LYS 28 2HE LYS 28 14.043 -8.049 -3.348 182 HE3 LYS 28 3HE LYS 28 13.610 -6.408 -2.873 183 HZ1 LYS 28 3HZ LYS 28 11.254 -7.214 -2.799 184 HZ2 LYS 28 1HZ LYS 28 12.271 -7.863 -1.613 185 HZ3 LYS 28 2HZ LYS 28 11.849 -8.789 -2.965 186 H ILE 29 H ILE 29 11.135 -8.698 -7.988 187 HA ILE 29 HA ILE 29 10.626 -11.197 -9.353 188 HB ILE 29 HB ILE 29 8.769 -11.753 -7.673 189 HG12 ILE 29 2HG1 ILE 29 10.533 -10.417 -5.656 190 HG13 ILE 29 3HG1 ILE 29 9.301 -9.468 -6.480 191 HG21 ILE 29 1HG2 ILE 29 11.106 -12.856 -8.060 192 HG22 ILE 29 2HG2 ILE 29 11.464 -12.182 -6.470 193 HG23 ILE 29 3HG2 ILE 29 10.126 -13.315 -6.667 194 HD11 ILE 29 3HD1 ILE 29 8.721 -12.011 -4.988 195 HD12 ILE 29 1HD1 ILE 29 8.620 -10.403 -4.272 196 HD13 ILE 29 2HD1 ILE 29 7.563 -10.838 -5.616 197 H ARG 30 H ARG 30 10.159 -9.318 -10.832 198 HA ARG 30 HA ARG 30 8.641 -8.131 -12.041 199 HB2 ARG 30 2HB ARG 30 6.507 -9.366 -10.300 200 HB3 ARG 30 3HB ARG 30 6.333 -8.740 -11.935 201 HG2 ARG 30 2HG ARG 30 8.132 -10.598 -12.461 202 HG3 ARG 30 3HG ARG 30 7.458 -11.319 -10.998 203 HD2 ARG 30 2HD ARG 30 5.472 -11.776 -11.978 204 HD3 ARG 30 3HD ARG 30 5.504 -10.315 -12.965 205 HE ARG 30 HE ARG 30 6.510 -11.507 -14.648 206 HH11 ARG 30 1HH1 ARG 30 6.609 -13.354 -11.698 207 HH12 ARG 30 2HH1 ARG 30 7.173 -14.799 -12.469 208 HH21 ARG 30 1HH2 ARG 30 7.252 -13.404 -15.674 209 HH22 ARG 30 2HH2 ARG 30 7.539 -14.827 -14.730 210 H GLN 31 H GLN 31 9.868 -6.668 -10.182 211 HA GLN 31 HA GLN 31 9.748 -4.688 -9.068 212 HB2 GLN 31 2HB GLN 31 7.694 -4.587 -10.926 213 HB3 GLN 31 3HB GLN 31 6.901 -4.167 -9.414 214 HG2 GLN 31 2HG GLN 31 7.834 -2.152 -9.365 215 HG3 GLN 31 3HG GLN 31 9.430 -2.789 -9.757 216 HE21 GLN 31 1HE2 GLN 31 10.230 -1.928 -11.521 217 HE22 GLN 31 2HE2 GLN 31 9.343 -1.466 -12.930 218 H THR 32 H THR 32 9.931 -4.855 -6.939 219 HA THR 32 HA THR 32 7.571 -5.173 -5.303 220 HB THR 32 HB THR 32 9.808 -7.201 -5.134 221 HG1 THR 32 HG1 THR 32 7.683 -8.521 -5.351 222 HG21 THR 32 3HG2 THR 32 7.464 -6.640 -3.329 223 HG22 THR 32 1HG2 THR 32 9.173 -6.729 -2.903 224 HG23 THR 32 2HG2 THR 32 8.297 -8.194 -3.348 225 H CYS 33 H CYS 33 7.818 -4.356 -3.238 226 HA CYS 33 HA CYS 33 10.126 -2.657 -2.853 227 HB2 CYS 33 2HB CYS 33 7.440 -2.502 -2.139 228 HB3 CYS 33 3HB CYS 33 8.274 -2.775 -0.613 229 H HIS 34 H HIS 34 11.512 -2.702 -1.051 230 HA HIS 34 HA HIS 34 11.382 -4.841 0.864 231 HB2 HIS 34 2HB HIS 34 12.465 -5.691 -1.401 232 HB3 HIS 34 3HB HIS 34 13.891 -4.885 -0.754 233 HD1 HIS 34 HD1 HIS 34 15.192 -7.030 -0.311 234 HD2 HIS 34 HD2 HIS 34 11.501 -6.917 1.592 235 HE1 HIS 34 HE1 HIS 34 15.204 -8.965 1.295 236 H CYS 35 H CYS 35 12.745 -4.524 2.625 237 HA CYS 35 HA CYS 35 14.007 -1.875 2.710 238 HB2 CYS 35 2HB CYS 35 12.945 -3.694 4.869 239 HB3 CYS 35 3HB CYS 35 13.939 -2.285 5.227 240 H TYR 36 H TYR 36 16.143 -1.649 2.929 241 HA TYR 36 HA TYR 36 17.813 -3.548 4.232 242 HB2 TYR 36 2HB TYR 36 19.038 -4.433 2.395 243 HB3 TYR 36 3HB TYR 36 17.337 -4.670 2.010 244 HD1 TYR 36 HD2 TYR 36 16.300 -2.512 0.714 245 HD2 TYR 36 HD1 TYR 36 20.372 -3.747 0.653 246 HE1 TYR 36 HE2 TYR 36 16.618 -1.341 -1.425 247 HE2 TYR 36 HE1 TYR 36 20.701 -2.578 -1.486 248 HH TYR 36 HH TYR 36 18.334 -0.430 -2.788 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -0.866 -1.186 -3.438 2 HA2 GLY 1 2HA GLY 1 1.439 -0.333 -1.817 3 HA3 GLY 1 3HA GLY 1 1.414 -0.438 -3.571 4 H PHE 2 H PHE 2 2.392 1.782 -3.120 5 HA PHE 2 HA PHE 2 0.591 3.756 -3.932 6 HB2 PHE 2 2HB PHE 2 0.782 5.187 -1.787 7 HB3 PHE 2 3HB PHE 2 -0.403 3.885 -1.817 8 HD1 PHE 2 HD2 PHE 2 3.219 4.278 -0.990 9 HD2 PHE 2 HD1 PHE 2 -0.564 2.663 0.106 10 HE1 PHE 2 HE2 PHE 2 4.218 3.327 1.047 11 HE2 PHE 2 HE1 PHE 2 0.429 1.711 2.146 12 HZ PHE 2 HZ PHE 2 2.824 2.041 2.618 13 H GLY 3 H GLY 3 3.228 2.767 -4.510 14 HA2 GLY 3 2HA GLY 3 4.633 4.805 -5.427 15 HA3 GLY 3 3HA GLY 3 5.017 4.939 -3.717 16 H CYS 4 H CYS 4 6.610 4.239 -6.204 17 HA CYS 4 HA CYS 4 8.436 2.495 -5.032 18 HB2 CYS 4 2HB CYS 4 6.191 1.153 -6.248 19 HB3 CYS 4 3HB CYS 4 7.675 0.746 -7.104 20 HA PRO 5 HA PRO 5 9.531 2.942 -9.711 21 HB2 PRO 5 2HB PRO 5 7.654 4.035 -11.340 22 HB3 PRO 5 3HB PRO 5 7.759 2.299 -11.025 23 HG2 PRO 5 2HG PRO 5 5.942 4.339 -9.802 24 HG3 PRO 5 3HG PRO 5 5.567 2.699 -10.362 25 HD2 PRO 5 2HD PRO 5 5.950 3.294 -7.748 26 HD3 PRO 5 3HD PRO 5 6.389 1.721 -8.443 27 H TRP 6 H TRP 6 7.211 5.477 -8.756 28 HA TRP 6 HA TRP 6 9.326 7.468 -9.262 29 HB2 TRP 6 2HB TRP 6 7.073 8.959 -9.423 30 HB3 TRP 6 3HB TRP 6 7.853 8.215 -10.817 31 HD1 TRP 6 HD1 TRP 6 6.548 6.325 -12.075 32 HE1 TRP 6 HE1 TRP 6 4.175 5.352 -11.853 33 HE3 TRP 6 HE3 TRP 6 5.234 8.408 -7.596 34 HZ2 TRP 6 HZ2 TRP 6 2.030 5.455 -10.021 35 HZ3 TRP 6 HZ3 TRP 6 3.003 7.921 -6.678 36 HH2 TRP 6 HH2 TRP 6 1.436 6.476 -7.868 37 H ASN 7 H ASN 7 6.711 6.413 -7.182 38 HA ASN 7 HA ASN 7 7.210 8.573 -5.291 39 HB2 ASN 7 2HB ASN 7 5.025 6.710 -5.825 40 HB3 ASN 7 3HB ASN 7 5.390 6.850 -4.108 41 HD21 ASN 7 1HD2 ASN 7 3.260 7.792 -3.972 42 HD22 ASN 7 2HD2 ASN 7 3.049 9.470 -4.323 43 H ALA 8 H ALA 8 9.201 6.442 -5.858 44 HA ALA 8 HA ALA 8 9.410 4.498 -3.923 45 HB1 ALA 8 1HB ALA 8 11.772 6.109 -4.853 46 HB2 ALA 8 2HB ALA 8 11.722 4.410 -4.383 47 HB3 ALA 8 3HB ALA 8 10.955 4.933 -5.882 48 H TYR 9 H TYR 9 9.961 7.940 -3.626 49 HA TYR 9 HA TYR 9 11.425 8.077 -1.288 50 HB2 TYR 9 2HB TYR 9 9.832 9.863 -2.858 51 HB3 TYR 9 3HB TYR 9 9.464 10.124 -1.157 52 HD1 TYR 9 HD2 TYR 9 12.649 9.257 -2.908 53 HD2 TYR 9 HD1 TYR 9 10.555 12.041 -0.466 54 HE1 TYR 9 HE2 TYR 9 14.705 10.586 -2.671 55 HE2 TYR 9 HE1 TYR 9 12.605 13.379 -0.224 56 HH TYR 9 HH TYR 9 15.097 13.283 -2.117 57 H GLU 10 H GLU 10 8.077 7.247 -1.749 58 HA GLU 10 HA GLU 10 7.294 7.571 0.980 59 HB2 GLU 10 2HB GLU 10 5.579 7.677 -0.678 60 HB3 GLU 10 3HB GLU 10 6.045 6.122 -1.352 61 HG2 GLU 10 2HG GLU 10 4.013 5.899 -0.079 62 HG3 GLU 10 3HG GLU 10 5.320 5.019 0.712 63 H CYS 11 H CYS 11 8.212 4.793 -1.027 64 HA CYS 11 HA CYS 11 7.897 2.872 1.047 65 HB2 CYS 11 2HB CYS 11 8.124 2.658 -1.615 66 HB3 CYS 11 3HB CYS 11 9.799 2.342 -1.175 67 H ASP 12 H ASP 12 10.481 4.976 0.053 68 HA ASP 12 HA ASP 12 12.576 3.608 1.421 69 HB2 ASP 12 2HB ASP 12 13.219 5.063 -0.350 70 HB3 ASP 12 3HB ASP 12 12.316 6.411 0.335 71 H ARG 13 H ARG 13 10.855 6.648 2.155 72 HA ARG 13 HA ARG 13 11.957 7.040 4.691 73 HB2 ARG 13 2HB ARG 13 10.313 8.691 5.018 74 HB3 ARG 13 3HB ARG 13 10.577 8.663 3.280 75 HG2 ARG 13 2HG ARG 13 8.321 8.662 3.261 76 HG3 ARG 13 3HG ARG 13 8.563 6.921 3.418 77 HD2 ARG 13 2HD ARG 13 7.198 7.105 5.188 78 HD3 ARG 13 3HD ARG 13 8.630 7.711 6.018 79 HE ARG 13 HE ARG 13 7.702 9.812 6.033 80 HH11 ARG 13 1HH1 ARG 13 5.898 7.755 3.880 81 HH12 ARG 13 2HH1 ARG 13 4.612 8.894 3.659 82 HH21 ARG 13 1HH2 ARG 13 6.015 11.320 5.750 83 HH22 ARG 13 2HH2 ARG 13 4.680 10.922 4.722 84 H HIS 14 H HIS 14 9.560 4.825 3.613 85 HA HIS 14 HA HIS 14 8.085 4.410 5.948 86 HB2 HIS 14 2HB HIS 14 7.414 3.458 3.806 87 HB3 HIS 14 3HB HIS 14 8.843 2.429 3.791 88 HD1 HIS 14 HD1 HIS 14 5.430 2.710 5.227 89 HD2 HIS 14 HD2 HIS 14 8.737 0.217 5.553 90 HE1 HIS 14 HE1 HIS 14 4.610 0.659 6.430 91 H CYS 15 H CYS 15 11.127 2.957 4.864 92 HA CYS 15 HA CYS 15 11.349 1.430 7.333 93 HB2 CYS 15 2HB CYS 15 13.218 1.602 4.958 94 HB3 CYS 15 3HB CYS 15 13.382 0.489 6.312 95 H VAL 16 H VAL 16 12.688 4.271 5.808 96 HA VAL 16 HA VAL 16 14.997 4.663 7.289 97 HB VAL 16 HB VAL 16 13.067 6.774 6.315 98 HG11 VAL 16 1HG1 VAL 16 15.790 6.906 7.514 99 HG12 VAL 16 2HG1 VAL 16 15.364 8.052 6.242 100 HG13 VAL 16 3HG1 VAL 16 14.410 7.984 7.725 101 HG21 VAL 16 3HG2 VAL 16 13.748 6.269 4.263 102 HG22 VAL 16 1HG2 VAL 16 15.417 6.584 4.738 103 HG23 VAL 16 2HG2 VAL 16 14.744 4.963 4.906 104 H SER 17 H SER 17 11.677 5.002 8.236 105 HA SER 17 HA SER 17 12.245 6.555 10.597 106 HB2 SER 17 2HB SER 17 10.094 7.006 9.912 107 HB3 SER 17 3HB SER 17 9.812 5.358 9.353 108 HG SER 17 HG SER 17 9.006 6.397 11.598 109 H LYS 18 H LYS 18 11.720 3.179 9.792 110 HA LYS 18 HA LYS 18 11.515 2.242 12.470 111 HB2 LYS 18 2HB LYS 18 11.957 0.969 9.800 112 HB3 LYS 18 3HB LYS 18 12.246 0.022 11.253 113 HG2 LYS 18 2HG LYS 18 10.079 -0.503 11.036 114 HG3 LYS 18 3HG LYS 18 9.820 1.055 11.823 115 HD2 LYS 18 2HD LYS 18 8.897 1.935 9.987 116 HD3 LYS 18 3HD LYS 18 10.177 1.306 8.948 117 HE2 LYS 18 2HE LYS 18 8.397 0.133 8.126 118 HE3 LYS 18 3HE LYS 18 8.931 -0.978 9.386 119 HZ1 LYS 18 3HZ LYS 18 7.269 0.051 10.870 120 HZ2 LYS 18 1HZ LYS 18 6.574 -0.711 9.529 121 HZ3 LYS 18 2HZ LYS 18 6.704 0.975 9.571 122 H GLY 19 H GLY 19 14.191 2.680 10.218 123 HA2 GLY 19 2HA GLY 19 16.235 3.277 11.754 124 HA3 GLY 19 3HA GLY 19 16.068 1.580 12.179 125 H TYR 20 H TYR 20 15.357 0.599 9.619 126 HA TYR 20 HA TYR 20 17.821 0.006 8.529 127 HB2 TYR 20 2HB TYR 20 15.237 0.118 6.966 128 HB3 TYR 20 3HB TYR 20 16.642 -0.885 6.626 129 HD1 TYR 20 HD2 TYR 20 17.321 -2.537 8.561 130 HD2 TYR 20 HD1 TYR 20 13.459 -0.808 8.121 131 HE1 TYR 20 HE2 TYR 20 16.361 -4.349 9.920 132 HE2 TYR 20 HE1 TYR 20 12.488 -2.614 9.479 133 HH TYR 20 HH TYR 20 14.531 -5.068 11.001 134 H THR 21 H THR 21 18.481 0.505 6.206 135 HA THR 21 HA THR 21 19.090 3.252 6.008 136 HB THR 21 HB THR 21 20.482 1.414 5.039 137 HG1 THR 21 HG1 THR 21 19.770 3.228 2.985 138 HG21 THR 21 3HG2 THR 21 18.687 0.095 4.030 139 HG22 THR 21 1HG2 THR 21 19.889 0.548 2.822 140 HG23 THR 21 2HG2 THR 21 18.349 1.405 2.899 141 H GLY 22 H GLY 22 16.510 1.302 4.698 142 HA2 GLY 22 2HA GLY 22 14.575 3.022 4.268 143 HA3 GLY 22 3HA GLY 22 15.641 3.485 2.949 144 H GLY 23 H GLY 23 12.909 2.334 2.931 145 HA2 GLY 23 2HA GLY 23 13.310 -0.327 1.812 146 HA3 GLY 23 3HA GLY 23 11.766 0.467 2.086 147 H ASN 24 H ASN 24 13.869 -0.564 -0.242 148 HA ASN 24 HA ASN 24 12.818 1.368 -2.205 149 HB2 ASN 24 2HB ASN 24 15.264 -0.254 -2.778 150 HB3 ASN 24 3HB ASN 24 14.815 1.342 -3.372 151 HD21 ASN 24 1HD2 ASN 24 14.326 2.737 -1.123 152 HD22 ASN 24 2HD2 ASN 24 15.754 2.851 -0.157 153 H CYS 25 H CYS 25 12.343 0.536 -4.330 154 HA CYS 25 HA CYS 25 11.465 -2.268 -4.233 155 HB2 CYS 25 2HB CYS 25 10.504 -0.135 -6.143 156 HB3 CYS 25 3HB CYS 25 9.768 -1.702 -5.824 157 H ARG 26 H ARG 26 11.993 -3.697 -5.843 158 HA ARG 26 HA ARG 26 13.576 -2.758 -8.107 159 HB2 ARG 26 2HB ARG 26 14.547 -4.920 -6.229 160 HB3 ARG 26 3HB ARG 26 15.341 -4.406 -7.711 161 HG2 ARG 26 2HG ARG 26 14.849 -2.574 -5.379 162 HG3 ARG 26 3HG ARG 26 16.328 -3.512 -5.592 163 HD2 ARG 26 2HD ARG 26 15.891 -2.246 -8.044 164 HD3 ARG 26 3HD ARG 26 15.533 -1.028 -6.821 165 HE ARG 26 HE ARG 26 17.976 -2.401 -6.287 166 HH11 ARG 26 1HH1 ARG 26 16.538 0.131 -8.195 167 HH12 ARG 26 2HH1 ARG 26 18.021 1.006 -8.387 168 HH21 ARG 26 1HH2 ARG 26 19.934 -1.258 -6.533 169 HH22 ARG 26 2HH2 ARG 26 19.952 0.215 -7.443 170 H GLY 27 H GLY 27 14.325 -5.053 -9.264 171 HA2 GLY 27 2HA GLY 27 11.750 -6.256 -9.947 172 HA3 GLY 27 3HA GLY 27 13.235 -6.382 -10.878 173 H LYS 28 H LYS 28 13.038 -6.989 -7.431 174 HA LYS 28 HA LYS 28 14.383 -9.427 -7.543 175 HB2 LYS 28 2HB LYS 28 13.410 -9.779 -5.223 176 HB3 LYS 28 3HB LYS 28 14.333 -8.301 -5.464 177 HG2 LYS 28 2HG LYS 28 11.602 -7.774 -6.069 178 HG3 LYS 28 3HG LYS 28 11.694 -8.587 -4.505 179 HD2 LYS 28 2HD LYS 28 13.262 -6.135 -5.305 180 HD3 LYS 28 3HD LYS 28 11.826 -6.146 -4.278 181 HE2 LYS 28 2HE LYS 28 14.514 -7.378 -3.699 182 HE3 LYS 28 3HE LYS 28 13.747 -6.030 -2.861 183 HZ1 LYS 28 3HZ LYS 28 12.782 -8.839 -2.883 184 HZ2 LYS 28 1HZ LYS 28 12.016 -7.548 -2.102 185 HZ3 LYS 28 2HZ LYS 28 13.544 -8.060 -1.589 186 H ILE 29 H ILE 29 10.933 -8.716 -7.615 187 HA ILE 29 HA ILE 29 10.410 -11.331 -8.738 188 HB ILE 29 HB ILE 29 8.496 -11.687 -7.075 189 HG12 ILE 29 2HG1 ILE 29 10.063 -10.374 -4.970 190 HG13 ILE 29 3HG1 ILE 29 9.320 -9.249 -6.102 191 HG21 ILE 29 1HG2 ILE 29 11.102 -12.013 -5.680 192 HG22 ILE 29 2HG2 ILE 29 9.787 -13.166 -5.905 193 HG23 ILE 29 3HG2 ILE 29 10.879 -12.803 -7.241 194 HD11 ILE 29 3HD1 ILE 29 7.701 -11.434 -4.871 195 HD12 ILE 29 1HD1 ILE 29 8.036 -9.951 -3.979 196 HD13 ILE 29 2HD1 ILE 29 7.178 -9.880 -5.519 197 H ARG 30 H ARG 30 10.069 -9.506 -10.373 198 HA ARG 30 HA ARG 30 8.625 -8.402 -11.741 199 HB2 ARG 30 2HB ARG 30 6.389 -9.535 -10.062 200 HB3 ARG 30 3HB ARG 30 6.319 -9.019 -11.742 201 HG2 ARG 30 2HG ARG 30 8.291 -10.976 -11.691 202 HG3 ARG 30 3HG ARG 30 7.019 -11.584 -10.630 203 HD2 ARG 30 2HD ARG 30 5.372 -11.215 -12.405 204 HD3 ARG 30 3HD ARG 30 6.649 -10.614 -13.462 205 HE ARG 30 HE ARG 30 6.011 -13.338 -12.929 206 HH11 ARG 30 1HH1 ARG 30 8.642 -11.175 -13.651 207 HH12 ARG 30 2HH1 ARG 30 9.624 -12.402 -14.379 208 HH21 ARG 30 1HH2 ARG 30 7.295 -14.963 -13.886 209 HH22 ARG 30 2HH2 ARG 30 8.856 -14.557 -14.514 210 H GLN 31 H GLN 31 9.727 -6.760 -10.031 211 HA GLN 31 HA GLN 31 9.534 -4.714 -9.056 212 HB2 GLN 31 2HB GLN 31 7.323 -4.916 -10.844 213 HB3 GLN 31 3HB GLN 31 6.772 -4.106 -9.384 214 HG2 GLN 31 2HG GLN 31 7.586 -2.241 -10.260 215 HG3 GLN 31 3HG GLN 31 9.188 -2.893 -9.919 216 HE21 GLN 31 1HE2 GLN 31 10.241 -4.105 -11.614 217 HE22 GLN 31 2HE2 GLN 31 9.912 -3.721 -13.266 218 H THR 32 H THR 32 9.747 -4.895 -6.917 219 HA THR 32 HA THR 32 7.374 -5.003 -5.275 220 HB THR 32 HB THR 32 9.493 -7.128 -4.900 221 HG1 THR 32 HG1 THR 32 6.815 -7.316 -5.866 222 HG21 THR 32 3HG2 THR 32 6.903 -6.559 -3.457 223 HG22 THR 32 1HG2 THR 32 8.533 -6.461 -2.792 224 HG23 THR 32 2HG2 THR 32 7.859 -8.026 -3.247 225 H CYS 33 H CYS 33 7.711 -4.252 -3.163 226 HA CYS 33 HA CYS 33 10.081 -2.615 -2.865 227 HB2 CYS 33 2HB CYS 33 7.394 -2.466 -1.989 228 HB3 CYS 33 3HB CYS 33 8.394 -2.570 -0.543 229 H HIS 34 H HIS 34 11.450 -2.652 -1.013 230 HA HIS 34 HA HIS 34 11.320 -4.836 0.850 231 HB2 HIS 34 2HB HIS 34 12.363 -5.739 -1.344 232 HB3 HIS 34 3HB HIS 34 13.774 -4.790 -0.886 233 HD1 HIS 34 HD1 HIS 34 15.395 -6.547 -0.181 234 HD2 HIS 34 HD2 HIS 34 11.650 -7.080 1.537 235 HE1 HIS 34 HE1 HIS 34 15.672 -8.427 1.466 236 H CYS 35 H CYS 35 12.790 -4.619 2.583 237 HA CYS 35 HA CYS 35 13.994 -1.942 2.755 238 HB2 CYS 35 2HB CYS 35 12.893 -3.814 4.842 239 HB3 CYS 35 3HB CYS 35 13.945 -2.469 5.273 240 H TYR 36 H TYR 36 16.132 -1.740 2.875 241 HA TYR 36 HA TYR 36 17.750 -4.162 3.098 242 HB2 TYR 36 2HB TYR 36 18.566 -1.350 2.337 243 HB3 TYR 36 3HB TYR 36 19.588 -2.780 2.253 244 HD1 TYR 36 HD2 TYR 36 16.514 -1.244 0.853 245 HD2 TYR 36 HD1 TYR 36 19.567 -4.164 0.351 246 HE1 TYR 36 HE2 TYR 36 15.730 -1.661 -1.441 247 HE2 TYR 36 HE1 TYR 36 18.792 -4.588 -1.945 248 HH TYR 36 HH TYR 36 16.880 -2.586 -3.638 Start of MODEL 17 1 H1 GLY 1 H GLY 1 0.844 -1.015 0.305 2 HA2 GLY 1 2HA GLY 1 2.685 -0.159 -0.797 3 HA3 GLY 1 3HA GLY 1 2.245 -1.368 -1.994 4 H PHE 2 H PHE 2 1.991 2.005 -1.087 5 HA PHE 2 HA PHE 2 0.976 2.624 -3.778 6 HB2 PHE 2 2HB PHE 2 1.008 4.498 -1.413 7 HB3 PHE 2 3HB PHE 2 0.098 4.664 -2.911 8 HD1 PHE 2 HD2 PHE 2 0.322 2.865 0.283 9 HD2 PHE 2 HD1 PHE 2 -1.984 3.549 -3.228 10 HE1 PHE 2 HE2 PHE 2 -1.603 1.751 1.335 11 HE2 PHE 2 HE1 PHE 2 -3.914 2.437 -2.181 12 HZ PHE 2 HZ PHE 2 -3.724 1.535 0.103 13 H GLY 3 H GLY 3 3.192 2.287 -4.565 14 HA2 GLY 3 2HA GLY 3 4.587 4.209 -5.552 15 HA3 GLY 3 3HA GLY 3 5.021 4.490 -3.873 16 H CYS 4 H CYS 4 6.583 3.664 -6.320 17 HA CYS 4 HA CYS 4 8.467 2.037 -5.069 18 HB2 CYS 4 2HB CYS 4 6.246 0.577 -6.191 19 HB3 CYS 4 3HB CYS 4 7.735 0.158 -7.032 20 HA PRO 5 HA PRO 5 9.511 2.250 -9.776 21 HB2 PRO 5 2HB PRO 5 7.590 3.193 -11.447 22 HB3 PRO 5 3HB PRO 5 7.748 1.482 -11.033 23 HG2 PRO 5 2HG PRO 5 5.882 3.537 -9.912 24 HG3 PRO 5 3HG PRO 5 5.550 1.857 -10.373 25 HD2 PRO 5 2HD PRO 5 5.937 2.612 -7.802 26 HD3 PRO 5 3HD PRO 5 6.415 1.015 -8.410 27 H TRP 6 H TRP 6 7.131 4.767 -8.933 28 HA TRP 6 HA TRP 6 9.182 6.785 -9.574 29 HB2 TRP 6 2HB TRP 6 6.884 8.198 -9.802 30 HB3 TRP 6 3HB TRP 6 7.683 7.406 -11.157 31 HD1 TRP 6 HD1 TRP 6 6.436 5.406 -12.303 32 HE1 TRP 6 HE1 TRP 6 4.096 4.374 -12.019 33 HE3 TRP 6 HE3 TRP 6 5.065 7.694 -7.942 34 HZ2 TRP 6 HZ2 TRP 6 1.952 4.512 -10.188 35 HZ3 TRP 6 HZ3 TRP 6 2.853 7.190 -6.991 36 HH2 TRP 6 HH2 TRP 6 1.329 5.633 -8.092 37 H ASN 7 H ASN 7 6.598 5.788 -7.424 38 HA ASN 7 HA ASN 7 7.060 8.061 -5.659 39 HB2 ASN 7 2HB ASN 7 4.916 6.110 -6.065 40 HB3 ASN 7 3HB ASN 7 5.275 6.400 -4.365 41 HD21 ASN 7 1HD2 ASN 7 3.184 7.339 -4.203 42 HD22 ASN 7 2HD2 ASN 7 2.908 8.960 -4.731 43 H ALA 8 H ALA 8 9.139 6.038 -6.082 44 HA ALA 8 HA ALA 8 9.403 4.154 -4.096 45 HB1 ALA 8 1HB ALA 8 11.876 4.542 -4.310 46 HB2 ALA 8 2HB ALA 8 11.025 4.252 -5.828 47 HB3 ALA 8 3HB ALA 8 11.497 5.891 -5.382 48 H TYR 9 H TYR 9 9.718 7.624 -3.861 49 HA TYR 9 HA TYR 9 11.127 7.923 -1.509 50 HB2 TYR 9 2HB TYR 9 9.792 9.615 -3.182 51 HB3 TYR 9 3HB TYR 9 8.781 9.689 -1.742 52 HD1 TYR 9 HD1 TYR 9 9.677 10.570 0.362 53 HD2 TYR 9 HD2 TYR 9 12.021 10.531 -3.189 54 HE1 TYR 9 HE1 TYR 9 11.249 12.158 1.390 55 HE2 TYR 9 HE2 TYR 9 13.600 12.118 -2.170 56 HH TYR 9 HH TYR 9 13.923 12.671 0.911 57 H GLU 10 H GLU 10 7.855 6.825 -1.987 58 HA GLU 10 HA GLU 10 6.976 7.149 0.697 59 HB2 GLU 10 2HB GLU 10 5.319 6.955 -1.012 60 HB3 GLU 10 3HB GLU 10 5.990 5.432 -1.579 61 HG2 GLU 10 2HG GLU 10 4.988 5.626 1.219 62 HG3 GLU 10 3HG GLU 10 3.836 5.480 -0.107 63 H CYS 11 H CYS 11 7.963 4.246 -1.126 64 HA CYS 11 HA CYS 11 7.915 2.484 1.054 65 HB2 CYS 11 2HB CYS 11 8.238 2.148 -1.589 66 HB3 CYS 11 3HB CYS 11 9.920 2.013 -1.088 67 H ASP 12 H ASP 12 10.252 4.833 0.053 68 HA ASP 12 HA ASP 12 12.470 3.753 1.492 69 HB2 ASP 12 2HB ASP 12 13.069 5.200 -0.256 70 HB3 ASP 12 3HB ASP 12 11.886 6.415 0.222 71 H ARG 13 H ARG 13 10.581 6.726 2.079 72 HA ARG 13 HA ARG 13 11.522 7.205 4.651 73 HB2 ARG 13 2HB ARG 13 8.986 7.962 3.230 74 HB3 ARG 13 3HB ARG 13 9.242 8.413 4.911 75 HG2 ARG 13 2HG ARG 13 11.490 9.060 3.162 76 HG3 ARG 13 3HG ARG 13 9.989 9.889 2.745 77 HD2 ARG 13 2HD ARG 13 11.475 11.100 4.371 78 HD3 ARG 13 3HD ARG 13 9.815 10.846 4.908 79 HE ARG 13 HE ARG 13 11.656 8.807 5.770 80 HH11 ARG 13 1HH1 ARG 13 10.254 11.910 6.495 81 HH12 ARG 13 2HH1 ARG 13 10.549 11.792 8.198 82 HH21 ARG 13 1HH2 ARG 13 12.050 8.639 8.011 83 HH22 ARG 13 2HH2 ARG 13 11.571 9.931 9.059 84 H HIS 14 H HIS 14 9.185 4.920 3.521 85 HA HIS 14 HA HIS 14 7.736 4.478 5.884 86 HB2 HIS 14 2HB HIS 14 6.976 3.594 3.753 87 HB3 HIS 14 3HB HIS 14 8.406 2.572 3.632 88 HD1 HIS 14 HD1 HIS 14 5.275 2.954 5.726 89 HD2 HIS 14 HD2 HIS 14 8.163 0.114 4.802 90 HE1 HIS 14 HE1 HIS 14 4.458 0.807 6.750 91 H CYS 15 H CYS 15 10.769 3.105 4.706 92 HA CYS 15 HA CYS 15 11.023 1.439 7.081 93 HB2 CYS 15 2HB CYS 15 11.915 1.210 4.440 94 HB3 CYS 15 3HB CYS 15 13.371 1.517 5.382 95 H VAL 16 H VAL 16 12.244 4.418 5.765 96 HA VAL 16 HA VAL 16 14.571 4.744 7.267 97 HB VAL 16 HB VAL 16 12.627 6.871 6.356 98 HG11 VAL 16 1HG1 VAL 16 14.628 8.362 6.490 99 HG12 VAL 16 2HG1 VAL 16 14.032 7.799 8.053 100 HG13 VAL 16 3HG1 VAL 16 15.469 7.065 7.339 101 HG21 VAL 16 3HG2 VAL 16 14.979 6.848 4.807 102 HG22 VAL 16 1HG2 VAL 16 14.436 5.174 4.929 103 HG23 VAL 16 2HG2 VAL 16 13.346 6.411 4.304 104 H SER 17 H SER 17 11.262 4.877 8.221 105 HA SER 17 HA SER 17 11.772 6.362 10.652 106 HB2 SER 17 2HB SER 17 9.560 6.179 9.164 107 HB3 SER 17 3HB SER 17 9.233 4.850 10.276 108 HG SER 17 HG SER 17 9.759 6.471 11.970 109 H LYS 18 H LYS 18 11.207 3.025 9.681 110 HA LYS 18 HA LYS 18 10.945 1.907 12.246 111 HB2 LYS 18 2HB LYS 18 11.635 0.862 9.539 112 HB3 LYS 18 3HB LYS 18 11.946 -0.170 10.929 113 HG2 LYS 18 2HG LYS 18 9.839 -0.849 10.488 114 HG3 LYS 18 3HG LYS 18 9.442 0.541 11.502 115 HD2 LYS 18 2HD LYS 18 8.578 1.706 9.778 116 HD3 LYS 18 3HD LYS 18 9.821 1.154 8.653 117 HE2 LYS 18 2HE LYS 18 8.057 0.049 7.753 118 HE3 LYS 18 3HE LYS 18 8.503 -1.143 8.973 119 HZ1 LYS 18 3HZ LYS 18 6.865 0.303 10.412 120 HZ2 LYS 18 1HZ LYS 18 6.299 -0.939 9.411 121 HZ3 LYS 18 2HZ LYS 18 6.210 0.669 8.896 122 H GLY 19 H GLY 19 13.782 2.526 10.225 123 HA2 GLY 19 2HA GLY 19 15.662 3.174 11.953 124 HA3 GLY 19 3HA GLY 19 15.537 1.457 12.307 125 H TYR 20 H TYR 20 14.984 0.728 9.533 126 HA TYR 20 HA TYR 20 17.615 0.263 8.670 127 HB2 TYR 20 2HB TYR 20 15.116 0.176 6.970 128 HB3 TYR 20 3HB TYR 20 16.629 -0.670 6.669 129 HD1 TYR 20 HD2 TYR 20 17.282 -2.583 8.097 130 HD2 TYR 20 HD1 TYR 20 13.495 -0.686 8.504 131 HE1 TYR 20 HE2 TYR 20 16.451 -4.525 9.357 132 HE2 TYR 20 HE1 TYR 20 12.654 -2.622 9.765 133 HH TYR 20 HH TYR 20 13.260 -4.519 10.849 134 H THR 21 H THR 21 18.475 0.902 6.503 135 HA THR 21 HA THR 21 18.843 3.667 6.353 136 HB THR 21 HB THR 21 20.399 1.959 5.400 137 HG1 THR 21 HG1 THR 21 20.595 4.148 4.780 138 HG21 THR 21 3HG2 THR 21 19.964 1.140 3.121 139 HG22 THR 21 1HG2 THR 21 18.357 1.863 3.176 140 HG23 THR 21 2HG2 THR 21 18.768 0.543 4.271 141 H GLY 22 H GLY 22 16.464 1.591 4.866 142 HA2 GLY 22 2HA GLY 22 14.460 3.252 4.392 143 HA3 GLY 22 3HA GLY 22 15.548 3.725 3.095 144 H GLY 23 H GLY 23 12.872 2.529 2.954 145 HA2 GLY 23 2HA GLY 23 13.378 -0.159 1.932 146 HA3 GLY 23 3HA GLY 23 11.805 0.602 2.127 147 H ASN 24 H ASN 24 13.933 -0.491 -0.106 148 HA ASN 24 HA ASN 24 12.920 1.372 -2.153 149 HB2 ASN 24 2HB ASN 24 15.461 -0.119 -2.621 150 HB3 ASN 24 3HB ASN 24 14.962 1.463 -3.212 151 HD21 ASN 24 1HD2 ASN 24 14.377 2.862 -1.030 152 HD22 ASN 24 2HD2 ASN 24 15.749 3.004 0.011 153 H CYS 25 H CYS 25 12.364 0.493 -4.172 154 HA CYS 25 HA CYS 25 11.749 -2.374 -4.072 155 HB2 CYS 25 2HB CYS 25 10.646 -0.342 -6.014 156 HB3 CYS 25 3HB CYS 25 10.021 -1.952 -5.671 157 H ARG 26 H ARG 26 12.137 -3.717 -5.885 158 HA ARG 26 HA ARG 26 13.754 -2.704 -8.065 159 HB2 ARG 26 2HB ARG 26 14.825 -4.634 -6.012 160 HB3 ARG 26 3HB ARG 26 15.499 -4.514 -7.632 161 HG2 ARG 26 2HG ARG 26 15.348 -2.276 -5.622 162 HG3 ARG 26 3HG ARG 26 16.787 -3.217 -6.022 163 HD2 ARG 26 2HD ARG 26 16.548 -2.438 -8.381 164 HD3 ARG 26 3HD ARG 26 15.241 -1.382 -7.846 165 HE ARG 26 HE ARG 26 16.796 0.033 -6.920 166 HH11 ARG 26 1HH1 ARG 26 18.316 -2.983 -7.765 167 HH12 ARG 26 2HH1 ARG 26 19.924 -2.401 -7.485 168 HH21 ARG 26 1HH2 ARG 26 18.908 0.811 -6.549 169 HH22 ARG 26 2HH2 ARG 26 20.259 -0.243 -6.793 170 H GLY 27 H GLY 27 14.408 -4.639 -9.531 171 HA2 GLY 27 2HA GLY 27 11.964 -6.162 -9.975 172 HA3 GLY 27 3HA GLY 27 13.314 -6.008 -11.090 173 H LYS 28 H LYS 28 13.124 -7.113 -7.712 174 HA LYS 28 HA LYS 28 14.871 -9.326 -8.287 175 HB2 LYS 28 2HB LYS 28 14.462 -9.890 -5.867 176 HB3 LYS 28 3HB LYS 28 15.136 -8.292 -6.156 177 HG2 LYS 28 2HG LYS 28 12.210 -8.373 -6.060 178 HG3 LYS 28 3HG LYS 28 13.011 -8.821 -4.553 179 HD2 LYS 28 2HD LYS 28 13.837 -6.365 -6.060 180 HD3 LYS 28 3HD LYS 28 12.445 -6.334 -4.975 181 HE2 LYS 28 2HE LYS 28 14.046 -5.750 -3.476 182 HE3 LYS 28 3HE LYS 28 14.204 -7.502 -3.349 183 HZ1 LYS 28 3HZ LYS 28 16.245 -5.862 -3.835 184 HZ2 LYS 28 1HZ LYS 28 15.799 -6.248 -5.421 185 HZ3 LYS 28 2HZ LYS 28 16.208 -7.478 -4.334 186 H ILE 29 H ILE 29 11.437 -8.841 -7.783 187 HA ILE 29 HA ILE 29 10.900 -11.471 -8.865 188 HB ILE 29 HB ILE 29 9.270 -11.964 -6.970 189 HG12 ILE 29 2HG1 ILE 29 11.081 -10.266 -5.286 190 HG13 ILE 29 3HG1 ILE 29 9.674 -9.545 -6.060 191 HG21 ILE 29 1HG2 ILE 29 11.518 -13.061 -7.421 192 HG22 ILE 29 2HG2 ILE 29 12.152 -12.044 -6.128 193 HG23 ILE 29 3HG2 ILE 29 10.875 -13.211 -5.786 194 HD11 ILE 29 3HD1 ILE 29 9.739 -10.795 -3.609 195 HD12 ILE 29 1HD1 ILE 29 8.298 -10.401 -4.546 196 HD13 ILE 29 2HD1 ILE 29 9.023 -12.004 -4.675 197 H ARG 30 H ARG 30 10.112 -9.972 -10.516 198 HA ARG 30 HA ARG 30 8.411 -8.993 -11.665 199 HB2 ARG 30 2HB ARG 30 7.178 -10.968 -10.555 200 HB3 ARG 30 3HB ARG 30 6.536 -9.765 -9.444 201 HG2 ARG 30 2HG ARG 30 6.068 -8.647 -11.915 202 HG3 ARG 30 3HG ARG 30 5.782 -10.368 -12.182 203 HD2 ARG 30 2HD ARG 30 4.517 -9.969 -9.806 204 HD3 ARG 30 3HD ARG 30 4.260 -8.417 -10.603 205 HE ARG 30 HE ARG 30 3.044 -10.916 -11.271 206 HH11 ARG 30 1HH1 ARG 30 4.108 -7.862 -12.561 207 HH12 ARG 30 2HH1 ARG 30 2.997 -7.888 -13.890 208 HH21 ARG 30 1HH2 ARG 30 1.577 -10.962 -13.017 209 HH22 ARG 30 2HH2 ARG 30 1.557 -9.652 -14.148 210 H GLN 31 H GLN 31 9.952 -7.421 -9.870 211 HA GLN 31 HA GLN 31 10.017 -5.307 -9.034 212 HB2 GLN 31 2HB GLN 31 8.233 -5.173 -11.081 213 HB3 GLN 31 3HB GLN 31 7.234 -4.629 -9.740 214 HG2 GLN 31 2HG GLN 31 8.791 -2.862 -9.237 215 HG3 GLN 31 3HG GLN 31 9.902 -3.448 -10.474 216 HE21 GLN 31 1HE2 GLN 31 9.857 -2.332 -12.274 217 HE22 GLN 31 2HE2 GLN 31 8.494 -1.497 -12.930 218 H THR 32 H THR 32 10.082 -5.355 -6.881 219 HA THR 32 HA THR 32 7.590 -5.121 -5.405 220 HB THR 32 HB THR 32 8.071 -7.570 -5.474 221 HG1 THR 32 HG1 THR 32 6.924 -6.814 -3.708 222 HG21 THR 32 3HG2 THR 32 10.499 -7.503 -5.507 223 HG22 THR 32 1HG2 THR 32 9.944 -8.415 -4.104 224 HG23 THR 32 2HG2 THR 32 10.524 -6.760 -3.908 225 H CYS 33 H CYS 33 8.067 -4.738 -3.016 226 HA CYS 33 HA CYS 33 10.227 -2.791 -2.857 227 HB2 CYS 33 2HB CYS 33 7.673 -2.687 -1.966 228 HB3 CYS 33 3HB CYS 33 8.487 -3.246 -0.508 229 H HIS 34 H HIS 34 11.735 -2.750 -1.116 230 HA HIS 34 HA HIS 34 11.989 -5.009 0.642 231 HB2 HIS 34 2HB HIS 34 12.953 -5.670 -1.687 232 HB3 HIS 34 3HB HIS 34 14.299 -4.628 -1.237 233 HD1 HIS 34 HD1 HIS 34 15.184 -5.306 1.384 234 HD2 HIS 34 HD2 HIS 34 13.454 -8.226 -1.011 235 HE1 HIS 34 HE1 HIS 34 15.955 -7.501 2.338 236 H CYS 35 H CYS 35 13.183 -4.525 2.418 237 HA CYS 35 HA CYS 35 14.307 -1.820 2.526 238 HB2 CYS 35 2HB CYS 35 13.234 -3.716 4.588 239 HB3 CYS 35 3HB CYS 35 14.329 -2.425 5.070 240 H TYR 36 H TYR 36 16.383 -1.408 3.257 241 HA TYR 36 HA TYR 36 18.179 -3.741 3.256 242 HB2 TYR 36 2HB TYR 36 18.789 -0.858 2.569 243 HB3 TYR 36 3HB TYR 36 19.950 -2.182 2.542 244 HD1 TYR 36 HD1 TYR 36 16.788 -0.993 0.991 245 HD2 TYR 36 HD2 TYR 36 20.203 -3.504 0.623 246 HE1 TYR 36 HE1 TYR 36 16.177 -1.471 -1.343 247 HE2 TYR 36 HE2 TYR 36 19.602 -3.988 -1.713 248 HH TYR 36 HH TYR 36 17.043 -3.864 -3.017 Start of MODEL 18 1 H1 GLY 1 H GLY 1 4.541 1.304 0.046 2 HA2 GLY 1 2HA GLY 1 2.256 0.700 0.226 3 HA3 GLY 1 3HA GLY 1 1.931 2.256 0.976 4 H PHE 2 H PHE 2 2.549 4.159 -0.602 5 HA PHE 2 HA PHE 2 1.271 3.532 -3.181 6 HB2 PHE 2 2HB PHE 2 1.288 6.166 -1.692 7 HB3 PHE 2 3HB PHE 2 0.454 5.838 -3.208 8 HD1 PHE 2 HD2 PHE 2 0.472 5.239 0.407 9 HD2 PHE 2 HD1 PHE 2 -1.606 4.611 -3.255 10 HE1 PHE 2 HE2 PHE 2 -1.519 4.526 1.663 11 HE2 PHE 2 HE1 PHE 2 -3.601 3.898 -2.004 12 HZ PHE 2 HZ PHE 2 -3.559 3.853 0.458 13 H GLY 3 H GLY 3 4.060 3.213 -2.769 14 HA2 GLY 3 2HA GLY 3 5.024 4.910 -4.898 15 HA3 GLY 3 3HA GLY 3 5.785 5.219 -3.344 16 H CYS 4 H CYS 4 6.765 4.074 -5.963 17 HA CYS 4 HA CYS 4 8.646 2.288 -4.942 18 HB2 CYS 4 2HB CYS 4 6.112 1.063 -5.485 19 HB3 CYS 4 3HB CYS 4 7.302 0.446 -6.627 20 HA PRO 5 HA PRO 5 8.833 2.123 -9.761 21 HB2 PRO 5 2HB PRO 5 6.763 3.215 -11.137 22 HB3 PRO 5 3HB PRO 5 6.795 1.521 -10.633 23 HG2 PRO 5 2HG PRO 5 5.414 3.851 -9.358 24 HG3 PRO 5 3HG PRO 5 4.812 2.205 -9.629 25 HD2 PRO 5 2HD PRO 5 5.744 3.038 -7.227 26 HD3 PRO 5 3HD PRO 5 5.917 1.363 -7.790 27 H TRP 6 H TRP 6 6.978 4.960 -8.664 28 HA TRP 6 HA TRP 6 9.092 6.666 -9.808 29 HB2 TRP 6 2HB TRP 6 6.960 8.343 -9.738 30 HB3 TRP 6 3HB TRP 6 7.425 7.402 -11.153 31 HD1 TRP 6 HD1 TRP 6 5.798 5.498 -11.938 32 HE1 TRP 6 HE1 TRP 6 3.437 4.774 -11.213 33 HE3 TRP 6 HE3 TRP 6 5.429 8.167 -7.593 34 HZ2 TRP 6 HZ2 TRP 6 1.654 5.268 -9.081 35 HZ3 TRP 6 HZ3 TRP 6 3.362 7.985 -6.270 36 HH2 TRP 6 HH2 TRP 6 1.515 6.566 -7.001 37 H ASN 7 H ASN 7 6.776 6.174 -7.208 38 HA ASN 7 HA ASN 7 7.839 8.431 -5.708 39 HB2 ASN 7 2HB ASN 7 5.428 6.756 -5.591 40 HB3 ASN 7 3HB ASN 7 6.098 7.156 -4.013 41 HD21 ASN 7 1HD2 ASN 7 4.103 8.332 -3.728 42 HD22 ASN 7 2HD2 ASN 7 3.965 9.936 -4.356 43 H ALA 8 H ALA 8 9.996 7.457 -5.576 44 HA ALA 8 HA ALA 8 10.403 5.060 -4.074 45 HB1 ALA 8 1HB ALA 8 12.409 7.228 -4.673 46 HB2 ALA 8 2HB ALA 8 12.745 5.554 -4.232 47 HB3 ALA 8 3HB ALA 8 11.990 5.923 -5.783 48 H TYR 9 H TYR 9 10.122 8.442 -3.303 49 HA TYR 9 HA TYR 9 11.378 8.484 -0.804 50 HB2 TYR 9 2HB TYR 9 9.986 10.303 -2.372 51 HB3 TYR 9 3HB TYR 9 8.999 10.165 -0.921 52 HD1 TYR 9 HD1 TYR 9 12.600 10.543 -1.862 53 HD2 TYR 9 HD2 TYR 9 9.473 11.593 0.825 54 HE1 TYR 9 HE1 TYR 9 14.131 12.065 -0.684 55 HE2 TYR 9 HE2 TYR 9 10.995 13.118 2.010 56 HH TYR 9 HH TYR 9 13.446 14.414 1.014 57 H GLU 10 H GLU 10 8.174 7.437 -1.770 58 HA GLU 10 HA GLU 10 7.055 7.262 0.825 59 HB2 GLU 10 2HB GLU 10 6.081 7.000 -1.712 60 HB3 GLU 10 3HB GLU 10 6.084 5.327 -1.170 61 HG2 GLU 10 2HG GLU 10 4.615 7.662 0.002 62 HG3 GLU 10 3HG GLU 10 3.956 6.164 -0.654 63 H CYS 11 H CYS 11 8.206 4.660 -1.332 64 HA CYS 11 HA CYS 11 8.108 2.634 0.611 65 HB2 CYS 11 2HB CYS 11 8.420 2.569 -2.020 66 HB3 CYS 11 3HB CYS 11 10.125 2.501 -1.587 67 H ASP 12 H ASP 12 10.523 5.028 -0.140 68 HA ASP 12 HA ASP 12 12.656 3.775 1.294 69 HB2 ASP 12 2HB ASP 12 13.278 5.315 -0.411 70 HB3 ASP 12 3HB ASP 12 12.239 6.575 0.251 71 H ARG 13 H ARG 13 10.765 6.724 1.987 72 HA ARG 13 HA ARG 13 11.669 7.093 4.594 73 HB2 ARG 13 2HB ARG 13 9.960 8.671 4.840 74 HB3 ARG 13 3HB ARG 13 10.263 8.655 3.108 75 HG2 ARG 13 2HG ARG 13 8.018 8.532 3.019 76 HG3 ARG 13 3HG ARG 13 8.331 6.807 3.228 77 HD2 ARG 13 2HD ARG 13 6.948 6.945 4.979 78 HD3 ARG 13 3HD ARG 13 8.297 7.717 5.810 79 HE ARG 13 HE ARG 13 6.903 9.690 4.413 80 HH11 ARG 13 1HH1 ARG 13 6.414 7.505 7.079 81 HH12 ARG 13 2HH1 ARG 13 5.293 8.544 7.895 82 HH21 ARG 13 1HH2 ARG 13 5.428 11.067 5.478 83 HH22 ARG 13 2HH2 ARG 13 4.732 10.569 6.983 84 H HIS 14 H HIS 14 9.411 4.818 3.323 85 HA HIS 14 HA HIS 14 7.840 4.260 5.553 86 HB2 HIS 14 2HB HIS 14 7.358 3.325 3.352 87 HB3 HIS 14 3HB HIS 14 8.834 2.366 3.413 88 HD1 HIS 14 HD1 HIS 14 5.314 2.422 4.561 89 HD2 HIS 14 HD2 HIS 14 8.733 0.147 5.190 90 HE1 HIS 14 HE1 HIS 14 4.523 0.318 5.687 91 H CYS 15 H CYS 15 11.008 2.968 4.628 92 HA CYS 15 HA CYS 15 11.156 1.416 7.086 93 HB2 CYS 15 2HB CYS 15 13.151 1.705 4.829 94 HB3 CYS 15 3HB CYS 15 13.279 0.574 6.173 95 H VAL 16 H VAL 16 12.525 4.298 5.640 96 HA VAL 16 HA VAL 16 14.702 4.778 7.261 97 HB VAL 16 HB VAL 16 12.740 6.837 6.240 98 HG11 VAL 16 1HG1 VAL 16 14.662 8.381 6.374 99 HG12 VAL 16 2HG1 VAL 16 14.166 7.772 7.955 100 HG13 VAL 16 3HG1 VAL 16 15.598 7.112 7.164 101 HG21 VAL 16 3HG2 VAL 16 15.134 6.750 4.728 102 HG22 VAL 16 1HG2 VAL 16 14.522 5.101 4.861 103 HG23 VAL 16 2HG2 VAL 16 13.493 6.373 4.203 104 H SER 17 H SER 17 11.309 5.060 8.009 105 HA SER 17 HA SER 17 11.689 6.570 10.421 106 HB2 SER 17 2HB SER 17 9.575 6.820 9.347 107 HB3 SER 17 3HB SER 17 9.329 5.075 9.273 108 HG SER 17 HG SER 17 9.234 6.775 11.528 109 H LYS 18 H LYS 18 11.356 3.178 9.573 110 HA LYS 18 HA LYS 18 11.078 2.220 12.238 111 HB2 LYS 18 2HB LYS 18 11.678 0.977 9.583 112 HB3 LYS 18 3HB LYS 18 11.937 0.035 11.046 113 HG2 LYS 18 2HG LYS 18 9.801 -0.566 10.740 114 HG3 LYS 18 3HG LYS 18 9.451 0.984 11.507 115 HD2 LYS 18 2HD LYS 18 8.567 1.813 9.632 116 HD3 LYS 18 3HD LYS 18 9.929 1.256 8.656 117 HE2 LYS 18 2HE LYS 18 8.266 -0.008 7.740 118 HE3 LYS 18 3HE LYS 18 8.773 -1.091 9.034 119 HZ1 LYS 18 3HZ LYS 18 6.618 -1.078 9.571 120 HZ2 LYS 18 1HZ LYS 18 6.288 0.331 8.694 121 HZ3 LYS 18 2HZ LYS 18 6.928 0.437 10.256 122 H GLY 19 H GLY 19 13.818 2.786 10.097 123 HA2 GLY 19 2HA GLY 19 15.778 3.451 11.706 124 HA3 GLY 19 3HA GLY 19 15.660 1.749 12.127 125 H TYR 20 H TYR 20 15.103 0.718 9.562 126 HA TYR 20 HA TYR 20 17.630 0.245 8.563 127 HB2 TYR 20 2HB TYR 20 15.099 0.205 6.913 128 HB3 TYR 20 3HB TYR 20 16.566 -0.726 6.631 129 HD1 TYR 20 HD1 TYR 20 17.202 -2.515 8.299 130 HD2 TYR 20 HD2 TYR 20 13.397 -0.611 8.324 131 HE1 TYR 20 HE1 TYR 20 16.293 -4.362 9.645 132 HE2 TYR 20 HE2 TYR 20 12.478 -2.452 9.672 133 HH TYR 20 HH TYR 20 13.744 -4.272 11.409 134 H THR 21 H THR 21 18.573 0.845 6.480 135 HA THR 21 HA THR 21 18.985 3.571 6.208 136 HB THR 21 HB THR 21 20.468 1.791 5.273 137 HG1 THR 21 HG1 THR 21 20.774 3.924 4.583 138 HG21 THR 21 3HG2 THR 21 18.775 0.399 4.209 139 HG22 THR 21 1HG2 THR 21 19.966 0.928 3.022 140 HG23 THR 21 2HG2 THR 21 18.382 1.703 3.089 141 H GLY 22 H GLY 22 16.536 1.531 4.771 142 HA2 GLY 22 2HA GLY 22 14.544 3.181 4.304 143 HA3 GLY 22 3HA GLY 22 15.636 3.705 3.030 144 H GLY 23 H GLY 23 12.987 2.541 2.765 145 HA2 GLY 23 2HA GLY 23 13.485 -0.135 1.713 146 HA3 GLY 23 3HA GLY 23 11.920 0.650 1.862 147 H ASN 24 H ASN 24 14.179 -0.395 -0.295 148 HA ASN 24 HA ASN 24 13.280 1.525 -2.343 149 HB2 ASN 24 2HB ASN 24 15.784 -0.086 -2.676 150 HB3 ASN 24 3HB ASN 24 15.360 1.473 -3.377 151 HD21 ASN 24 1HD2 ASN 24 14.624 2.909 -1.187 152 HD22 ASN 24 2HD2 ASN 24 15.979 3.113 -0.135 153 H CYS 25 H CYS 25 12.471 0.745 -4.239 154 HA CYS 25 HA CYS 25 11.915 -2.131 -4.306 155 HB2 CYS 25 2HB CYS 25 10.695 0.009 -6.052 156 HB3 CYS 25 3HB CYS 25 10.100 -1.626 -5.781 157 H ARG 26 H ARG 26 11.987 -3.239 -6.403 158 HA ARG 26 HA ARG 26 13.510 -2.124 -8.552 159 HB2 ARG 26 2HB ARG 26 15.371 -3.813 -8.371 160 HB3 ARG 26 3HB ARG 26 15.401 -2.536 -7.163 161 HG2 ARG 26 2HG ARG 26 14.958 -3.952 -5.447 162 HG3 ARG 26 3HG ARG 26 13.997 -5.042 -6.450 163 HD2 ARG 26 2HD ARG 26 17.003 -4.785 -6.474 164 HD3 ARG 26 3HD ARG 26 16.080 -6.098 -5.745 165 HE ARG 26 HE ARG 26 15.347 -5.920 -8.431 166 HH11 ARG 26 1HH1 ARG 26 18.142 -6.709 -6.511 167 HH12 ARG 26 2HH1 ARG 26 18.803 -7.798 -7.685 168 HH21 ARG 26 1HH2 ARG 26 16.208 -7.351 -9.985 169 HH22 ARG 26 2HH2 ARG 26 17.703 -8.162 -9.661 170 H GLY 27 H GLY 27 14.338 -4.264 -9.918 171 HA2 GLY 27 2HA GLY 27 11.826 -5.636 -10.487 172 HA3 GLY 27 3HA GLY 27 13.252 -5.605 -11.515 173 H LYS 28 H LYS 28 13.437 -6.369 -8.114 174 HA LYS 28 HA LYS 28 14.920 -8.677 -8.412 175 HB2 LYS 28 2HB LYS 28 14.195 -9.239 -6.093 176 HB3 LYS 28 3HB LYS 28 14.770 -7.587 -6.273 177 HG2 LYS 28 2HG LYS 28 12.116 -7.256 -6.702 178 HG3 LYS 28 3HG LYS 28 12.113 -8.595 -5.552 179 HD2 LYS 28 2HD LYS 28 14.009 -6.640 -4.694 180 HD3 LYS 28 3HD LYS 28 12.473 -5.837 -5.032 181 HE2 LYS 28 2HE LYS 28 12.021 -6.460 -2.906 182 HE3 LYS 28 3HE LYS 28 11.570 -7.974 -3.689 183 HZ1 LYS 28 3HZ LYS 28 13.194 -9.031 -2.638 184 HZ2 LYS 28 1HZ LYS 28 13.455 -7.636 -1.717 185 HZ3 LYS 28 2HZ LYS 28 14.355 -7.900 -3.124 186 H ILE 29 H ILE 29 11.403 -8.346 -8.138 187 HA ILE 29 HA ILE 29 11.057 -10.865 -9.526 188 HB ILE 29 HB ILE 29 9.390 -11.652 -7.772 189 HG12 ILE 29 2HG1 ILE 29 10.868 -10.411 -5.599 190 HG13 ILE 29 3HG1 ILE 29 10.046 -9.212 -6.591 191 HG21 ILE 29 1HG2 ILE 29 12.242 -11.645 -6.822 192 HG22 ILE 29 2HG2 ILE 29 11.026 -12.905 -6.621 193 HG23 ILE 29 3HG2 ILE 29 11.703 -12.579 -8.217 194 HD11 ILE 29 3HD1 ILE 29 8.807 -11.552 -5.167 195 HD12 ILE 29 1HD1 ILE 29 8.611 -9.841 -4.792 196 HD13 ILE 29 2HD1 ILE 29 7.945 -10.498 -6.288 197 H ARG 30 H ARG 30 10.333 -9.009 -10.941 198 HA ARG 30 HA ARG 30 8.642 -7.964 -12.046 199 HB2 ARG 30 2HB ARG 30 6.726 -9.407 -10.218 200 HB3 ARG 30 3HB ARG 30 6.422 -8.805 -11.842 201 HG2 ARG 30 2HG ARG 30 8.029 -10.465 -12.718 202 HG3 ARG 30 3HG ARG 30 8.208 -11.105 -11.083 203 HD2 ARG 30 2HD ARG 30 5.426 -10.880 -11.842 204 HD3 ARG 30 3HD ARG 30 6.330 -11.872 -12.986 205 HE ARG 30 HE ARG 30 5.593 -12.576 -10.331 206 HH11 ARG 30 1HH1 ARG 30 8.095 -12.971 -12.720 207 HH12 ARG 30 2HH1 ARG 30 8.636 -14.492 -12.091 208 HH21 ARG 30 1HH2 ARG 30 6.296 -14.578 -9.494 209 HH22 ARG 30 2HH2 ARG 30 7.612 -15.405 -10.257 210 H GLN 31 H GLN 31 9.793 -6.341 -10.350 211 HA GLN 31 HA GLN 31 9.540 -4.393 -9.203 212 HB2 GLN 31 2HB GLN 31 6.577 -4.651 -9.704 213 HB3 GLN 31 3HB GLN 31 7.494 -3.180 -9.408 214 HG2 GLN 31 2HG GLN 31 8.760 -3.964 -11.593 215 HG3 GLN 31 3HG GLN 31 7.229 -4.790 -11.882 216 HE21 GLN 31 1HE2 GLN 31 8.679 -2.357 -13.036 217 HE22 GLN 31 2HE2 GLN 31 7.448 -1.147 -13.100 218 H THR 32 H THR 32 10.022 -4.684 -7.122 219 HA THR 32 HA THR 32 7.880 -5.169 -5.240 220 HB THR 32 HB THR 32 10.265 -7.028 -5.280 221 HG1 THR 32 HG1 THR 32 8.783 -7.628 -6.873 222 HG21 THR 32 3HG2 THR 32 9.732 -6.900 -3.044 223 HG22 THR 32 1HG2 THR 32 8.653 -8.195 -3.561 224 HG23 THR 32 2HG2 THR 32 8.031 -6.558 -3.357 225 H CYS 33 H CYS 33 8.362 -4.490 -3.135 226 HA CYS 33 HA CYS 33 10.537 -2.587 -2.980 227 HB2 CYS 33 2HB CYS 33 7.976 -2.735 -1.884 228 HB3 CYS 33 3HB CYS 33 9.053 -2.976 -0.512 229 H HIS 34 H HIS 34 12.145 -2.571 -1.358 230 HA HIS 34 HA HIS 34 12.495 -4.916 0.307 231 HB2 HIS 34 2HB HIS 34 13.492 -5.648 -1.806 232 HB3 HIS 34 3HB HIS 34 14.509 -4.210 -1.839 233 HD1 HIS 34 HD1 HIS 34 14.085 -5.967 1.409 234 HD2 HIS 34 HD2 HIS 34 16.802 -5.860 -1.733 235 HE1 HIS 34 HE1 HIS 34 16.142 -7.139 2.258 236 H CYS 35 H CYS 35 13.343 -4.334 2.198 237 HA CYS 35 HA CYS 35 14.540 -1.667 2.416 238 HB2 CYS 35 2HB CYS 35 13.276 -3.516 4.436 239 HB3 CYS 35 3HB CYS 35 14.188 -2.087 4.911 240 H TYR 36 H TYR 36 16.601 -1.347 3.043 241 HA TYR 36 HA TYR 36 18.219 -3.746 3.586 242 HB2 TYR 36 2HB TYR 36 19.214 -1.090 2.545 243 HB3 TYR 36 3HB TYR 36 20.101 -2.609 2.620 244 HD1 TYR 36 HD1 TYR 36 17.362 -0.820 0.906 245 HD2 TYR 36 HD2 TYR 36 19.887 -4.244 0.901 246 HE1 TYR 36 HE1 TYR 36 16.624 -1.354 -1.379 247 HE2 TYR 36 HE2 TYR 36 19.158 -4.786 -1.384 248 HH TYR 36 HH TYR 36 16.479 -3.480 -2.817 Start of MODEL 19 1 H1 GLY 1 H GLY 1 1.562 2.577 -7.029 2 HA2 GLY 1 2HA GLY 1 -1.081 2.433 -5.712 3 HA3 GLY 1 3HA GLY 1 0.073 1.109 -5.656 4 H PHE 2 H PHE 2 1.675 1.121 -4.152 5 HA PHE 2 HA PHE 2 1.508 3.223 -2.129 6 HB2 PHE 2 2HB PHE 2 2.755 0.472 -2.104 7 HB3 PHE 2 3HB PHE 2 2.912 1.617 -0.775 8 HD1 PHE 2 HD2 PHE 2 0.228 2.776 -0.647 9 HD2 PHE 2 HD1 PHE 2 1.450 -1.251 -1.283 10 HE1 PHE 2 HE2 PHE 2 -1.906 1.985 0.286 11 HE2 PHE 2 HE1 PHE 2 -0.683 -2.049 -0.352 12 HZ PHE 2 HZ PHE 2 -2.364 -0.431 0.435 13 H GLY 3 H GLY 3 2.891 3.544 -4.743 14 HA2 GLY 3 2HA GLY 3 4.759 4.678 -5.464 15 HA3 GLY 3 3HA GLY 3 5.197 4.900 -3.777 16 H CYS 4 H CYS 4 6.753 4.135 -6.244 17 HA CYS 4 HA CYS 4 8.608 2.436 -5.045 18 HB2 CYS 4 2HB CYS 4 6.371 1.051 -6.228 19 HB3 CYS 4 3HB CYS 4 7.857 0.642 -7.078 20 HA PRO 5 HA PRO 5 9.678 2.805 -9.735 21 HB2 PRO 5 2HB PRO 5 7.779 3.835 -11.380 22 HB3 PRO 5 3HB PRO 5 7.911 2.108 -11.028 23 HG2 PRO 5 2HG PRO 5 6.068 4.147 -9.842 24 HG3 PRO 5 3HG PRO 5 5.715 2.490 -10.365 25 HD2 PRO 5 2HD PRO 5 6.100 3.146 -7.766 26 HD3 PRO 5 3HD PRO 5 6.559 1.565 -8.430 27 H TRP 6 H TRP 6 7.328 5.324 -8.815 28 HA TRP 6 HA TRP 6 9.412 7.334 -9.367 29 HB2 TRP 6 2HB TRP 6 7.134 8.786 -9.569 30 HB3 TRP 6 3HB TRP 6 7.940 8.033 -10.942 31 HD1 TRP 6 HD1 TRP 6 6.681 6.096 -12.178 32 HE1 TRP 6 HE1 TRP 6 4.325 5.083 -11.958 33 HE3 TRP 6 HE3 TRP 6 5.290 8.232 -7.747 34 HZ2 TRP 6 HZ2 TRP 6 2.163 5.178 -10.146 35 HZ3 TRP 6 HZ3 TRP 6 3.061 7.720 -6.839 36 HH2 TRP 6 HH2 TRP 6 1.531 6.224 -8.015 37 H ASN 7 H ASN 7 6.790 6.299 -7.282 38 HA ASN 7 HA ASN 7 7.262 8.502 -5.433 39 HB2 ASN 7 2HB ASN 7 5.099 6.592 -5.927 40 HB3 ASN 7 3HB ASN 7 5.442 6.823 -4.215 41 HD21 ASN 7 1HD2 ASN 7 3.308 7.749 -4.137 42 HD22 ASN 7 2HD2 ASN 7 3.077 9.402 -4.581 43 H ALA 8 H ALA 8 9.284 6.399 -5.929 44 HA ALA 8 HA ALA 8 9.492 4.481 -3.969 45 HB1 ALA 8 1HB ALA 8 11.823 6.133 -4.919 46 HB2 ALA 8 2HB ALA 8 11.834 4.459 -4.362 47 HB3 ALA 8 3HB ALA 8 11.063 4.873 -5.893 48 H TYR 9 H TYR 9 9.974 7.934 -3.701 49 HA TYR 9 HA TYR 9 11.400 8.125 -1.342 50 HB2 TYR 9 2HB TYR 9 9.975 9.882 -2.999 51 HB3 TYR 9 3HB TYR 9 9.277 10.090 -1.397 52 HD1 TYR 9 HD2 TYR 9 12.731 9.589 -2.754 53 HD2 TYR 9 HD1 TYR 9 10.159 11.879 -0.255 54 HE1 TYR 9 HE2 TYR 9 14.630 11.017 -2.117 55 HE2 TYR 9 HE1 TYR 9 12.051 13.314 0.387 56 HH TYR 9 HH TYR 9 14.949 13.380 -1.261 57 H GLU 10 H GLU 10 8.074 7.226 -1.846 58 HA GLU 10 HA GLU 10 7.251 7.559 0.873 59 HB2 GLU 10 2HB GLU 10 5.556 7.638 -0.808 60 HB3 GLU 10 3HB GLU 10 6.049 6.085 -1.468 61 HG2 GLU 10 2HG GLU 10 3.948 6.056 -0.116 62 HG3 GLU 10 3HG GLU 10 5.188 4.913 0.397 63 H CYS 11 H CYS 11 8.227 4.785 -1.112 64 HA CYS 11 HA CYS 11 7.910 2.869 0.966 65 HB2 CYS 11 2HB CYS 11 8.133 2.616 -1.673 66 HB3 CYS 11 3HB CYS 11 9.830 2.389 -1.264 67 H ASP 12 H ASP 12 10.499 4.973 -0.037 68 HA ASP 12 HA ASP 12 12.585 3.643 1.374 69 HB2 ASP 12 2HB ASP 12 13.253 5.077 -0.394 70 HB3 ASP 12 3HB ASP 12 12.308 6.422 0.239 71 H ARG 13 H ARG 13 10.866 6.696 2.056 72 HA ARG 13 HA ARG 13 11.928 7.126 4.593 73 HB2 ARG 13 2HB ARG 13 10.253 8.751 4.894 74 HB3 ARG 13 3HB ARG 13 10.526 8.707 3.157 75 HG2 ARG 13 2HG ARG 13 8.271 8.665 3.127 76 HG3 ARG 13 3HG ARG 13 8.543 6.931 3.307 77 HD2 ARG 13 2HD ARG 13 7.218 7.068 5.100 78 HD3 ARG 13 3HD ARG 13 8.590 7.831 5.902 79 HE ARG 13 HE ARG 13 7.093 9.766 4.492 80 HH11 ARG 13 1HH1 ARG 13 6.966 7.760 7.335 81 HH12 ARG 13 2HH1 ARG 13 5.945 8.848 8.216 82 HH21 ARG 13 1HH2 ARG 13 5.750 11.206 5.642 83 HH22 ARG 13 2HH2 ARG 13 5.253 10.808 7.252 84 H HIS 14 H HIS 14 9.519 4.896 3.534 85 HA HIS 14 HA HIS 14 8.062 4.473 5.868 86 HB2 HIS 14 2HB HIS 14 7.453 3.487 3.704 87 HB3 HIS 14 3HB HIS 14 8.867 2.440 3.777 88 HD1 HIS 14 HD1 HIS 14 5.356 2.574 4.677 89 HD2 HIS 14 HD2 HIS 14 8.721 0.537 6.015 90 HE1 HIS 14 HE1 HIS 14 4.480 0.639 6.024 91 H CYS 15 H CYS 15 11.125 3.038 4.816 92 HA CYS 15 HA CYS 15 11.359 1.563 7.316 93 HB2 CYS 15 2HB CYS 15 13.190 1.700 4.910 94 HB3 CYS 15 3HB CYS 15 13.434 0.655 6.307 95 H VAL 16 H VAL 16 12.714 4.361 5.711 96 HA VAL 16 HA VAL 16 15.007 4.817 7.174 97 HB VAL 16 HB VAL 16 13.036 6.900 6.220 98 HG11 VAL 16 1HG1 VAL 16 14.619 7.788 7.858 99 HG12 VAL 16 2HG1 VAL 16 15.963 7.160 6.902 100 HG13 VAL 16 3HG1 VAL 16 14.933 8.433 6.247 101 HG21 VAL 16 3HG2 VAL 16 13.806 6.623 4.137 102 HG22 VAL 16 1HG2 VAL 16 15.477 6.482 4.681 103 HG23 VAL 16 2HG2 VAL 16 14.419 5.071 4.707 104 H SER 17 H SER 17 11.676 5.227 8.127 105 HA SER 17 HA SER 17 12.236 6.793 10.459 106 HB2 SER 17 2HB SER 17 10.056 7.131 9.788 107 HB3 SER 17 3HB SER 17 9.830 5.449 9.309 108 HG SER 17 HG SER 17 9.455 6.660 11.761 109 H LYS 18 H LYS 18 11.829 3.377 9.756 110 HA LYS 18 HA LYS 18 11.694 2.488 12.445 111 HB2 LYS 18 2HB LYS 18 12.200 1.199 9.800 112 HB3 LYS 18 3HB LYS 18 12.589 0.297 11.259 113 HG2 LYS 18 2HG LYS 18 10.457 -0.397 11.015 114 HG3 LYS 18 3HG LYS 18 10.126 1.090 11.907 115 HD2 LYS 18 2HD LYS 18 8.914 1.844 10.204 116 HD3 LYS 18 3HD LYS 18 10.325 1.742 9.149 117 HE2 LYS 18 2HE LYS 18 9.068 0.268 8.008 118 HE3 LYS 18 3HE LYS 18 9.581 -0.860 9.261 119 HZ1 LYS 18 3HZ LYS 18 7.151 -0.836 8.840 120 HZ2 LYS 18 1HZ LYS 18 7.097 0.755 9.413 121 HZ3 LYS 18 2HZ LYS 18 7.564 -0.500 10.446 122 H GLY 19 H GLY 19 14.357 3.003 10.187 123 HA2 GLY 19 2HA GLY 19 16.393 3.800 11.533 124 HA3 GLY 19 3HA GLY 19 16.254 2.227 12.303 125 H TYR 20 H TYR 20 15.332 1.217 9.543 126 HA TYR 20 HA TYR 20 17.841 0.187 8.746 127 HB2 TYR 20 2HB TYR 20 15.158 0.202 7.356 128 HB3 TYR 20 3HB TYR 20 16.564 -0.671 6.757 129 HD1 TYR 20 HD1 TYR 20 17.703 -2.228 8.626 130 HD2 TYR 20 HD2 TYR 20 13.630 -0.997 8.593 131 HE1 TYR 20 HE1 TYR 20 17.115 -4.154 10.040 132 HE2 TYR 20 HE2 TYR 20 13.031 -2.918 10.007 133 HH TYR 20 HH TYR 20 15.103 -5.525 10.539 134 H THR 21 H THR 21 18.147 0.276 6.123 135 HA THR 21 HA THR 21 19.184 2.891 5.656 136 HB THR 21 HB THR 21 18.946 0.515 3.801 137 HG1 THR 21 HG1 THR 21 21.209 1.570 5.178 138 HG21 THR 21 3HG2 THR 21 20.309 3.179 3.461 139 HG22 THR 21 1HG2 THR 21 19.128 2.416 2.398 140 HG23 THR 21 2HG2 THR 21 20.758 1.754 2.525 141 H GLY 22 H GLY 22 16.375 1.096 4.506 142 HA2 GLY 22 2HA GLY 22 14.548 2.950 4.125 143 HA3 GLY 22 3HA GLY 22 15.606 3.326 2.773 144 H GLY 23 H GLY 23 12.789 2.321 2.914 145 HA2 GLY 23 2HA GLY 23 12.908 -0.371 1.874 146 HA3 GLY 23 3HA GLY 23 11.472 0.631 2.021 147 H ASN 24 H ASN 24 13.977 -0.475 -0.050 148 HA ASN 24 HA ASN 24 13.027 1.274 -2.216 149 HB2 ASN 24 2HB ASN 24 15.481 -0.439 -2.428 150 HB3 ASN 24 3HB ASN 24 15.108 1.074 -3.249 151 HD21 ASN 24 1HD2 ASN 24 14.370 2.661 -1.140 152 HD22 ASN 24 2HD2 ASN 24 15.731 2.916 -0.106 153 H CYS 25 H CYS 25 12.334 0.419 -4.159 154 HA CYS 25 HA CYS 25 11.520 -2.388 -4.044 155 HB2 CYS 25 2HB CYS 25 10.694 -0.321 -6.086 156 HB3 CYS 25 3HB CYS 25 9.910 -1.858 -5.734 157 H ARG 26 H ARG 26 11.921 -3.846 -5.731 158 HA ARG 26 HA ARG 26 13.689 -3.050 -7.893 159 HB2 ARG 26 2HB ARG 26 14.511 -4.868 -5.652 160 HB3 ARG 26 3HB ARG 26 15.178 -5.093 -7.263 161 HG2 ARG 26 2HG ARG 26 15.343 -2.552 -5.655 162 HG3 ARG 26 3HG ARG 26 16.633 -3.745 -5.823 163 HD2 ARG 26 2HD ARG 26 16.219 -3.343 -8.389 164 HD3 ARG 26 3HD ARG 26 15.549 -1.815 -7.819 165 HE ARG 26 HE ARG 26 17.990 -2.058 -6.579 166 HH11 ARG 26 1HH1 ARG 26 16.831 -1.961 -9.860 167 HH12 ARG 26 2HH1 ARG 26 18.276 -1.241 -10.487 168 HH21 ARG 26 1HH2 ARG 26 19.898 -1.110 -7.392 169 HH22 ARG 26 2HH2 ARG 26 20.021 -0.758 -9.083 170 H GLY 27 H GLY 27 14.307 -5.209 -9.152 171 HA2 GLY 27 2HA GLY 27 11.737 -6.472 -9.726 172 HA3 GLY 27 3HA GLY 27 13.171 -6.524 -10.740 173 H LYS 28 H LYS 28 12.925 -7.310 -7.301 174 HA LYS 28 HA LYS 28 14.377 -9.728 -7.623 175 HB2 LYS 28 2HB LYS 28 13.713 -10.116 -5.220 176 HB3 LYS 28 3HB LYS 28 14.557 -8.605 -5.532 177 HG2 LYS 28 2HG LYS 28 11.644 -8.402 -5.700 178 HG3 LYS 28 3HG LYS 28 12.253 -8.852 -4.106 179 HD2 LYS 28 2HD LYS 28 13.516 -6.586 -5.592 180 HD3 LYS 28 3HD LYS 28 11.988 -6.334 -4.744 181 HE2 LYS 28 2HE LYS 28 13.520 -5.774 -3.117 182 HE3 LYS 28 3HE LYS 28 13.225 -7.473 -2.754 183 HZ1 LYS 28 3HZ LYS 28 15.634 -6.625 -2.866 184 HZ2 LYS 28 1HZ LYS 28 15.433 -6.698 -4.544 185 HZ3 LYS 28 2HZ LYS 28 15.260 -8.098 -3.610 186 H ILE 29 H ILE 29 10.966 -8.942 -7.432 187 HA ILE 29 HA ILE 29 10.291 -11.563 -8.449 188 HB ILE 29 HB ILE 29 8.485 -11.814 -6.639 189 HG12 ILE 29 2HG1 ILE 29 10.325 -10.499 -4.738 190 HG13 ILE 29 3HG1 ILE 29 9.408 -9.410 -5.773 191 HG21 ILE 29 1HG2 ILE 29 10.829 -13.013 -6.983 192 HG22 ILE 29 2HG2 ILE 29 11.153 -12.258 -5.423 193 HG23 ILE 29 3HG2 ILE 29 9.790 -13.363 -5.601 194 HD11 ILE 29 3HD1 ILE 29 8.400 -9.981 -3.528 195 HD12 ILE 29 1HD1 ILE 29 7.356 -10.179 -4.936 196 HD13 ILE 29 2HD1 ILE 29 8.101 -11.591 -4.184 197 H ARG 30 H ARG 30 9.882 -9.756 -10.090 198 HA ARG 30 HA ARG 30 8.373 -8.636 -11.371 199 HB2 ARG 30 2HB ARG 30 6.981 -10.693 -10.649 200 HB3 ARG 30 3HB ARG 30 6.174 -9.579 -9.553 201 HG2 ARG 30 2HG ARG 30 4.868 -9.761 -11.538 202 HG3 ARG 30 3HG ARG 30 5.608 -8.159 -11.513 203 HD2 ARG 30 2HD ARG 30 6.575 -8.542 -13.474 204 HD3 ARG 30 3HD ARG 30 7.369 -9.978 -12.829 205 HE ARG 30 HE ARG 30 4.847 -10.824 -13.363 206 HH11 ARG 30 1HH1 ARG 30 7.302 -9.208 -15.228 207 HH12 ARG 30 2HH1 ARG 30 6.799 -9.901 -16.734 208 HH21 ARG 30 1HH2 ARG 30 4.174 -11.743 -15.340 209 HH22 ARG 30 2HH2 ARG 30 5.019 -11.342 -16.797 210 H GLN 31 H GLN 31 9.650 -7.041 -9.682 211 HA GLN 31 HA GLN 31 9.586 -4.982 -8.717 212 HB2 GLN 31 2HB GLN 31 7.853 -4.718 -10.640 213 HB3 GLN 31 3HB GLN 31 6.661 -4.771 -9.348 214 HG2 GLN 31 2HG GLN 31 8.127 -2.910 -8.282 215 HG3 GLN 31 3HG GLN 31 8.737 -2.710 -9.924 216 HE21 GLN 31 1HE2 GLN 31 7.791 -0.559 -9.663 217 HE22 GLN 31 2HE2 GLN 31 6.117 -0.340 -10.025 218 H THR 32 H THR 32 9.850 -5.163 -6.584 219 HA THR 32 HA THR 32 7.500 -5.205 -4.887 220 HB THR 32 HB THR 32 9.644 -7.314 -4.562 221 HG1 THR 32 HG1 THR 32 6.879 -7.631 -5.176 222 HG21 THR 32 3HG2 THR 32 7.842 -8.128 -2.858 223 HG22 THR 32 1HG2 THR 32 7.338 -6.439 -2.870 224 HG23 THR 32 2HG2 THR 32 8.981 -6.866 -2.391 225 H CYS 33 H CYS 33 7.859 -4.355 -2.830 226 HA CYS 33 HA CYS 33 10.172 -2.654 -2.621 227 HB2 CYS 33 2HB CYS 33 7.544 -2.609 -1.631 228 HB3 CYS 33 3HB CYS 33 8.577 -2.756 -0.213 229 H HIS 34 H HIS 34 11.706 -2.659 -0.940 230 HA HIS 34 HA HIS 34 11.794 -4.893 0.901 231 HB2 HIS 34 2HB HIS 34 12.810 -5.731 -1.249 232 HB3 HIS 34 3HB HIS 34 14.069 -4.515 -1.052 233 HD1 HIS 34 HD1 HIS 34 15.552 -4.784 1.191 234 HD2 HIS 34 HD2 HIS 34 13.273 -8.071 0.068 235 HE1 HIS 34 HE1 HIS 34 16.525 -6.736 2.443 236 H CYS 35 H CYS 35 12.731 -4.316 2.766 237 HA CYS 35 HA CYS 35 14.018 -1.688 2.881 238 HB2 CYS 35 2HB CYS 35 12.782 -3.455 4.992 239 HB3 CYS 35 3HB CYS 35 13.709 -2.012 5.387 240 H TYR 36 H TYR 36 16.133 -1.465 3.202 241 HA TYR 36 HA TYR 36 17.710 -3.866 3.775 242 HB2 TYR 36 2HB TYR 36 18.623 -1.164 2.765 243 HB3 TYR 36 3HB TYR 36 19.618 -2.609 2.907 244 HD1 TYR 36 HD1 TYR 36 18.690 -4.712 1.595 245 HD2 TYR 36 HD2 TYR 36 17.689 -0.673 0.710 246 HE1 TYR 36 HE1 TYR 36 18.064 -5.374 -0.690 247 HE2 TYR 36 HE2 TYR 36 17.059 -1.324 -1.577 248 HH TYR 36 HH TYR 36 16.495 -3.160 -2.879 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -1.473 -1.450 -4.415 2 HA2 GLY 1 2HA GLY 1 1.461 -1.497 -4.130 3 HA3 GLY 1 3HA GLY 1 0.713 -0.663 -5.483 4 H PHE 2 H PHE 2 2.258 0.922 -4.163 5 HA PHE 2 HA PHE 2 0.626 2.968 -3.186 6 HB2 PHE 2 2HB PHE 2 1.570 2.929 -0.780 7 HB3 PHE 2 3HB PHE 2 0.235 1.848 -1.168 8 HD1 PHE 2 HD2 PHE 2 3.965 1.786 -1.369 9 HD2 PHE 2 HD1 PHE 2 0.389 -0.255 -0.290 10 HE1 PHE 2 HE2 PHE 2 5.297 -0.131 -0.593 11 HE2 PHE 2 HE1 PHE 2 1.716 -2.175 0.490 12 HZ PHE 2 HZ PHE 2 4.173 -2.115 0.338 13 H GLY 3 H GLY 3 2.851 2.540 -4.958 14 HA2 GLY 3 2HA GLY 3 4.377 4.346 -5.499 15 HA3 GLY 3 3HA GLY 3 4.728 4.490 -3.783 16 H CYS 4 H CYS 4 6.405 3.963 -6.257 17 HA CYS 4 HA CYS 4 8.361 2.369 -5.080 18 HB2 CYS 4 2HB CYS 4 6.256 0.853 -6.340 19 HB3 CYS 4 3HB CYS 4 7.780 0.586 -7.180 20 HA PRO 5 HA PRO 5 9.468 2.966 -9.740 21 HB2 PRO 5 2HB PRO 5 7.523 3.911 -11.380 22 HB3 PRO 5 3HB PRO 5 7.774 2.187 -11.083 23 HG2 PRO 5 2HG PRO 5 5.773 4.048 -9.861 24 HG3 PRO 5 3HG PRO 5 5.548 2.388 -10.443 25 HD2 PRO 5 2HD PRO 5 5.848 2.983 -7.819 26 HD3 PRO 5 3HD PRO 5 6.429 1.462 -8.526 27 H TRP 6 H TRP 6 6.925 5.278 -8.789 28 HA TRP 6 HA TRP 6 8.865 7.451 -9.246 29 HB2 TRP 6 2HB TRP 6 6.493 8.743 -9.418 30 HB3 TRP 6 3HB TRP 6 7.350 8.087 -10.810 31 HD1 TRP 6 HD1 TRP 6 6.227 6.105 -12.105 32 HE1 TRP 6 HE1 TRP 6 3.945 4.928 -11.920 33 HE3 TRP 6 HE3 TRP 6 4.689 8.013 -7.618 34 HZ2 TRP 6 HZ2 TRP 6 1.780 4.823 -10.112 35 HZ3 TRP 6 HZ3 TRP 6 2.500 7.324 -6.731 36 HH2 TRP 6 HH2 TRP 6 1.077 5.763 -7.955 37 H ASN 7 H ASN 7 6.330 6.148 -7.209 38 HA ASN 7 HA ASN 7 6.618 8.320 -5.289 39 HB2 ASN 7 2HB ASN 7 4.610 6.281 -5.869 40 HB3 ASN 7 3HB ASN 7 4.944 6.431 -4.146 41 HD21 ASN 7 1HD2 ASN 7 2.806 7.222 -3.902 42 HD22 ASN 7 2HD2 ASN 7 2.426 8.864 -4.283 43 H ALA 8 H ALA 8 8.801 6.395 -5.849 44 HA ALA 8 HA ALA 8 9.164 4.445 -3.946 45 HB1 ALA 8 1HB ALA 8 11.343 6.309 -4.865 46 HB2 ALA 8 2HB ALA 8 11.508 4.638 -4.322 47 HB3 ALA 8 3HB ALA 8 10.699 4.994 -5.848 48 H TYR 9 H TYR 9 9.369 7.915 -3.574 49 HA TYR 9 HA TYR 9 10.780 8.157 -1.215 50 HB2 TYR 9 2HB TYR 9 9.169 9.826 -2.805 51 HB3 TYR 9 3HB TYR 9 8.504 9.932 -1.179 52 HD1 TYR 9 HD1 TYR 9 11.872 9.915 -2.815 53 HD2 TYR 9 HD2 TYR 9 9.342 11.605 0.160 54 HE1 TYR 9 HE1 TYR 9 13.661 11.483 -2.193 55 HE2 TYR 9 HE2 TYR 9 11.125 13.179 0.789 56 HH TYR 9 HH TYR 9 13.992 13.559 -1.098 57 H GLU 10 H GLU 10 7.538 6.993 -1.731 58 HA GLU 10 HA GLU 10 6.648 7.193 0.959 59 HB2 GLU 10 2HB GLU 10 5.001 7.000 -0.760 60 HB3 GLU 10 3HB GLU 10 5.723 5.519 -1.373 61 HG2 GLU 10 2HG GLU 10 3.691 5.039 -0.155 62 HG3 GLU 10 3HG GLU 10 5.087 4.356 0.676 63 H CYS 11 H CYS 11 7.766 4.400 -0.956 64 HA CYS 11 HA CYS 11 7.778 2.580 1.193 65 HB2 CYS 11 2HB CYS 11 8.026 2.290 -1.457 66 HB3 CYS 11 3HB CYS 11 9.730 2.207 -1.019 67 H ASP 12 H ASP 12 10.037 4.995 0.169 68 HA ASP 12 HA ASP 12 12.334 3.957 1.483 69 HB2 ASP 12 2HB ASP 12 12.721 5.550 -0.232 70 HB3 ASP 12 3HB ASP 12 11.598 6.704 0.482 71 H ARG 13 H ARG 13 10.275 6.747 2.337 72 HA ARG 13 HA ARG 13 11.324 7.104 4.906 73 HB2 ARG 13 2HB ARG 13 8.595 7.808 3.814 74 HB3 ARG 13 3HB ARG 13 9.227 8.378 5.353 75 HG2 ARG 13 2HG ARG 13 11.213 9.049 3.567 76 HG3 ARG 13 3HG ARG 13 9.726 9.339 2.662 77 HD2 ARG 13 2HD ARG 13 8.981 10.945 4.146 78 HD3 ARG 13 3HD ARG 13 9.965 10.324 5.470 79 HE ARG 13 HE ARG 13 10.730 12.277 3.531 80 HH11 ARG 13 1HH1 ARG 13 11.922 9.737 5.591 81 HH12 ARG 13 2HH1 ARG 13 13.523 10.392 5.692 82 HH21 ARG 13 1HH2 ARG 13 12.834 13.149 3.656 83 HH22 ARG 13 2HH2 ARG 13 14.040 12.333 4.591 84 H HIS 14 H HIS 14 9.161 4.746 3.683 85 HA HIS 14 HA HIS 14 7.656 4.119 5.955 86 HB2 HIS 14 2HB HIS 14 7.159 3.208 3.732 87 HB3 HIS 14 3HB HIS 14 8.647 2.267 3.776 88 HD1 HIS 14 HD1 HIS 14 5.125 2.218 4.839 89 HD2 HIS 14 HD2 HIS 14 8.604 0.105 5.673 90 HE1 HIS 14 HE1 HIS 14 4.374 0.118 6.001 91 H CYS 15 H CYS 15 10.837 2.963 4.908 92 HA CYS 15 HA CYS 15 11.120 1.373 7.331 93 HB2 CYS 15 2HB CYS 15 13.022 1.776 5.012 94 HB3 CYS 15 3HB CYS 15 13.251 0.638 6.336 95 H VAL 16 H VAL 16 12.307 4.343 5.912 96 HA VAL 16 HA VAL 16 14.527 4.881 7.456 97 HB VAL 16 HB VAL 16 12.427 6.854 6.545 98 HG11 VAL 16 1HG1 VAL 16 14.730 8.247 6.564 99 HG12 VAL 16 2HG1 VAL 16 13.595 8.218 7.916 100 HG13 VAL 16 3HG1 VAL 16 15.012 7.168 7.930 101 HG21 VAL 16 3HG2 VAL 16 14.817 6.944 5.011 102 HG22 VAL 16 1HG2 VAL 16 14.276 5.267 5.090 103 HG23 VAL 16 2HG2 VAL 16 13.188 6.517 4.486 104 H SER 17 H SER 17 11.158 4.989 8.348 105 HA SER 17 HA SER 17 11.579 6.444 10.789 106 HB2 SER 17 2HB SER 17 9.414 6.450 9.533 107 HB3 SER 17 3HB SER 17 9.190 4.763 9.993 108 HG SER 17 HG SER 17 9.172 7.066 11.611 109 H LYS 18 H LYS 18 11.346 3.072 9.843 110 HA LYS 18 HA LYS 18 11.198 2.016 12.481 111 HB2 LYS 18 2HB LYS 18 11.747 0.890 9.766 112 HB3 LYS 18 3HB LYS 18 12.114 -0.088 11.180 113 HG2 LYS 18 2HG LYS 18 9.997 -0.781 10.933 114 HG3 LYS 18 3HG LYS 18 9.612 0.716 11.785 115 HD2 LYS 18 2HD LYS 18 8.609 1.587 9.989 116 HD3 LYS 18 3HD LYS 18 9.944 1.128 8.929 117 HE2 LYS 18 2HE LYS 18 8.340 -0.201 8.029 118 HE3 LYS 18 3HE LYS 18 8.875 -1.285 9.312 119 HZ1 LYS 18 3HZ LYS 18 6.391 -0.902 9.063 120 HZ2 LYS 18 1HZ LYS 18 6.663 0.630 9.728 121 HZ3 LYS 18 2HZ LYS 18 7.036 -0.757 10.621 122 H GLY 19 H GLY 19 13.840 2.760 10.271 123 HA2 GLY 19 2HA GLY 19 15.824 3.455 11.841 124 HA3 GLY 19 3HA GLY 19 15.790 1.736 12.203 125 H TYR 20 H TYR 20 15.191 0.769 9.625 126 HA TYR 20 HA TYR 20 17.705 0.450 8.527 127 HB2 TYR 20 2HB TYR 20 15.122 0.325 6.965 128 HB3 TYR 20 3HB TYR 20 16.622 -0.523 6.609 129 HD1 TYR 20 HD1 TYR 20 17.425 -2.277 8.280 130 HD2 TYR 20 HD2 TYR 20 13.491 -0.656 8.332 131 HE1 TYR 20 HE1 TYR 20 16.656 -4.202 9.604 132 HE2 TYR 20 HE2 TYR 20 12.711 -2.576 9.657 133 HH TYR 20 HH TYR 20 14.494 -4.481 11.361 134 H THR 21 H THR 21 18.525 1.149 6.416 135 HA THR 21 HA THR 21 18.794 3.901 6.214 136 HB THR 21 HB THR 21 20.327 2.228 5.171 137 HG1 THR 21 HG1 THR 21 20.785 3.579 3.397 138 HG21 THR 21 3HG2 THR 21 18.666 0.777 4.136 139 HG22 THR 21 1HG2 THR 21 19.779 1.400 2.918 140 HG23 THR 21 2HG2 THR 21 18.161 2.087 3.069 141 H GLY 22 H GLY 22 16.391 1.781 4.818 142 HA2 GLY 22 2HA GLY 22 14.313 3.368 4.474 143 HA3 GLY 22 3HA GLY 22 15.325 3.937 3.154 144 H GLY 23 H GLY 23 12.724 2.726 2.940 145 HA2 GLY 23 2HA GLY 23 13.251 0.055 1.879 146 HA3 GLY 23 3HA GLY 23 11.672 0.799 2.085 147 H ASN 24 H ASN 24 13.888 -0.178 -0.152 148 HA ASN 24 HA ASN 24 12.804 1.673 -2.173 149 HB2 ASN 24 2HB ASN 24 15.430 0.333 -2.632 150 HB3 ASN 24 3HB ASN 24 14.853 1.897 -3.201 151 HD21 ASN 24 1HD2 ASN 24 14.155 3.212 -0.995 152 HD22 ASN 24 2HD2 ASN 24 15.503 3.412 0.066 153 H CYS 25 H CYS 25 12.276 0.812 -4.192 154 HA CYS 25 HA CYS 25 11.808 -2.079 -4.165 155 HB2 CYS 25 2HB CYS 25 10.699 -0.103 -6.155 156 HB3 CYS 25 3HB CYS 25 10.096 -1.713 -5.771 157 H ARG 26 H ARG 26 12.048 -3.252 -6.239 158 HA ARG 26 HA ARG 26 13.794 -2.186 -8.246 159 HB2 ARG 26 2HB ARG 26 15.573 -3.948 -7.847 160 HB3 ARG 26 3HB ARG 26 15.542 -2.611 -6.706 161 HG2 ARG 26 2HG ARG 26 14.744 -3.921 -4.983 162 HG3 ARG 26 3HG ARG 26 14.073 -5.131 -6.079 163 HD2 ARG 26 2HD ARG 26 15.941 -6.200 -5.219 164 HD3 ARG 26 3HD ARG 26 16.534 -5.549 -6.747 165 HE ARG 26 HE ARG 26 16.952 -3.815 -4.486 166 HH11 ARG 26 1HH1 ARG 26 18.237 -6.440 -6.377 167 HH12 ARG 26 2HH1 ARG 26 19.880 -6.142 -5.914 168 HH21 ARG 26 1HH2 ARG 26 19.110 -3.412 -3.869 169 HH22 ARG 26 2HH2 ARG 26 20.375 -4.420 -4.487 170 H GLY 27 H GLY 27 14.696 -4.327 -9.528 171 HA2 GLY 27 2HA GLY 27 12.231 -5.680 -10.307 172 HA3 GLY 27 3HA GLY 27 13.739 -5.663 -11.209 173 H LYS 28 H LYS 28 13.471 -6.459 -7.799 174 HA LYS 28 HA LYS 28 14.997 -8.787 -7.988 175 HB2 LYS 28 2HB LYS 28 14.127 -9.305 -5.716 176 HB3 LYS 28 3HB LYS 28 14.727 -7.660 -5.873 177 HG2 LYS 28 2HG LYS 28 12.128 -7.272 -6.458 178 HG3 LYS 28 3HG LYS 28 12.004 -8.644 -5.354 179 HD2 LYS 28 2HD LYS 28 13.776 -6.393 -4.569 180 HD3 LYS 28 3HD LYS 28 12.032 -6.129 -4.493 181 HE2 LYS 28 2HE LYS 28 13.004 -8.663 -3.340 182 HE3 LYS 28 3HE LYS 28 13.488 -7.198 -2.487 183 HZ1 LYS 28 3HZ LYS 28 11.061 -6.571 -2.560 184 HZ2 LYS 28 1HZ LYS 28 11.463 -7.860 -1.540 185 HZ3 LYS 28 2HZ LYS 28 10.745 -8.161 -3.041 186 H ILE 29 H ILE 29 11.481 -8.355 -7.963 187 HA ILE 29 HA ILE 29 11.161 -10.886 -9.336 188 HB ILE 29 HB ILE 29 9.346 -11.592 -7.700 189 HG12 ILE 29 2HG1 ILE 29 10.695 -10.351 -5.443 190 HG13 ILE 29 3HG1 ILE 29 9.981 -9.150 -6.513 191 HG21 ILE 29 1HG2 ILE 29 11.744 -12.506 -7.955 192 HG22 ILE 29 2HG2 ILE 29 12.058 -11.672 -6.434 193 HG23 ILE 29 3HG2 ILE 29 10.827 -12.932 -6.511 194 HD11 ILE 29 3HD1 ILE 29 7.818 -10.124 -6.267 195 HD12 ILE 29 1HD1 ILE 29 8.482 -11.497 -5.382 196 HD13 ILE 29 2HD1 ILE 29 8.506 -9.888 -4.661 197 H ARG 30 H ARG 30 10.597 -9.053 -10.840 198 HA ARG 30 HA ARG 30 9.024 -7.982 -12.085 199 HB2 ARG 30 2HB ARG 30 7.794 -10.173 -11.611 200 HB3 ARG 30 3HB ARG 30 6.920 -9.287 -10.369 201 HG2 ARG 30 2HG ARG 30 6.662 -7.663 -12.565 202 HG3 ARG 30 3HG ARG 30 6.584 -9.284 -13.258 203 HD2 ARG 30 2HD ARG 30 4.960 -8.477 -10.860 204 HD3 ARG 30 3HD ARG 30 4.388 -8.231 -12.510 205 HE ARG 30 HE ARG 30 5.227 -10.920 -12.048 206 HH11 ARG 30 1HH1 ARG 30 2.605 -8.676 -11.590 207 HH12 ARG 30 2HH1 ARG 30 1.388 -9.907 -11.538 208 HH21 ARG 30 1HH2 ARG 30 3.633 -12.550 -11.980 209 HH22 ARG 30 2HH2 ARG 30 1.974 -12.111 -11.759 210 H GLN 31 H GLN 31 10.119 -6.375 -10.315 211 HA GLN 31 HA GLN 31 9.859 -4.396 -9.225 212 HB2 GLN 31 2HB GLN 31 7.555 -4.639 -10.924 213 HB3 GLN 31 3HB GLN 31 7.097 -3.843 -9.424 214 HG2 GLN 31 2HG GLN 31 8.259 -1.982 -9.899 215 HG3 GLN 31 3HG GLN 31 9.581 -2.870 -10.653 216 HE21 GLN 31 1HE2 GLN 31 9.585 -3.182 -12.828 217 HE22 GLN 31 2HE2 GLN 31 8.419 -2.490 -13.898 218 H THR 32 H THR 32 10.142 -4.683 -7.105 219 HA THR 32 HA THR 32 7.811 -5.034 -5.422 220 HB THR 32 HB THR 32 10.122 -6.971 -5.192 221 HG1 THR 32 HG1 THR 32 8.777 -7.536 -6.927 222 HG21 THR 32 3HG2 THR 32 9.176 -6.446 -3.028 223 HG22 THR 32 1HG2 THR 32 8.667 -8.065 -3.507 224 HG23 THR 32 2HG2 THR 32 7.543 -6.711 -3.641 225 H CYS 33 H CYS 33 8.127 -4.343 -3.285 226 HA CYS 33 HA CYS 33 10.287 -2.459 -2.968 227 HB2 CYS 33 2HB CYS 33 7.686 -2.934 -1.763 228 HB3 CYS 33 3HB CYS 33 8.914 -2.609 -0.544 229 H HIS 34 H HIS 34 11.794 -2.441 -1.245 230 HA HIS 34 HA HIS 34 12.076 -4.720 0.482 231 HB2 HIS 34 2HB HIS 34 13.047 -5.360 -1.837 232 HB3 HIS 34 3HB HIS 34 14.367 -4.275 -1.412 233 HD1 HIS 34 HD1 HIS 34 12.633 -7.353 -0.012 234 HD2 HIS 34 HD2 HIS 34 16.324 -5.447 0.058 235 HE1 HIS 34 HE1 HIS 34 14.165 -8.900 1.247 236 H CYS 35 H CYS 35 13.183 -4.202 2.288 237 HA CYS 35 HA CYS 35 14.361 -1.517 2.392 238 HB2 CYS 35 2HB CYS 35 13.306 -3.351 4.546 239 HB3 CYS 35 3HB CYS 35 14.178 -1.862 4.896 240 H TYR 36 H TYR 36 16.443 -1.160 3.004 241 HA TYR 36 HA TYR 36 18.149 -3.542 3.225 242 HB2 TYR 36 2HB TYR 36 18.938 -0.704 2.536 243 HB3 TYR 36 3HB TYR 36 19.985 -2.118 2.489 244 HD1 TYR 36 HD1 TYR 36 17.012 -0.559 0.919 245 HD2 TYR 36 HD2 TYR 36 20.058 -3.511 0.583 246 HE1 TYR 36 HE1 TYR 36 16.372 -0.945 -1.425 247 HE2 TYR 36 HE2 TYR 36 19.427 -3.904 -1.761 248 HH TYR 36 HH TYR 36 16.772 -2.092 -3.278
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