NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
655818 | 6xyi | 34486 | cing | 1-original | 7 | 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 HA2 GLY 1 2.636 -0.917 -1.318 3 HA3 GLY 1 HA3 GLY 1 1.372 0.046 -2.069 4 H CYS 2 H CYS 2 4.417 0.012 -2.199 5 HA CYS 2 HA CYS 2 5.520 2.286 -1.067 6 HB2 CYS 2 HB2 CYS 2 7.075 2.242 -3.084 7 HB3 CYS 2 HB3 CYS 2 6.988 0.763 -2.133 8 H LYS 3 H LYS 3 6.352 4.176 -2.543 9 HA LYS 3 HA LYS 3 3.962 5.523 -3.502 10 HB2 LYS 3 HB2 LYS 3 6.744 6.675 -3.370 11 HB3 LYS 3 HB3 LYS 3 5.212 7.539 -3.377 12 HG2 LYS 3 HG2 LYS 3 6.083 5.716 -1.149 13 HG3 LYS 3 HG3 LYS 3 6.374 7.456 -1.168 14 HD2 LYS 3 HD2 LYS 3 4.385 7.633 -0.159 15 HD3 LYS 3 HD3 LYS 3 3.693 7.282 -1.744 16 HE2 LYS 3 HE2 LYS 3 2.645 5.698 -0.454 17 HE3 LYS 3 HE3 LYS 3 4.053 4.794 -1.008 18 HZ1 LYS 3 HZ1 LYS 3 4.860 6.061 1.293 19 HZ2 LYS 3 HZ2 LYS 3 3.303 5.499 1.641 20 HZ3 LYS 3 HZ3 LYS 3 4.495 4.418 1.118 21 H LYS 4 H LYS 4 3.683 6.352 -5.562 22 HA LYS 4 HA LYS 4 5.205 4.994 -7.639 23 HB2 LYS 4 HB2 LYS 4 2.860 6.839 -8.056 24 HB3 LYS 4 HB3 LYS 4 3.449 5.572 -9.124 25 HG2 LYS 4 HG2 LYS 4 2.837 3.964 -7.216 26 HG3 LYS 4 HG3 LYS 4 1.895 5.314 -6.580 27 HD2 LYS 4 HD2 LYS 4 1.006 5.382 -9.078 28 HD3 LYS 4 HD3 LYS 4 1.474 3.680 -9.028 29 HE2 LYS 4 HE2 LYS 4 0.123 3.492 -6.910 30 HE3 LYS 4 HE3 LYS 4 -0.486 5.112 -7.245 31 HZ1 LYS 4 HZ1 LYS 4 -0.846 2.682 -8.906 32 HZ2 LYS 4 HZ2 LYS 4 -2.044 3.558 -8.094 33 HZ3 LYS 4 HZ3 LYS 4 -1.256 4.238 -9.427 34 H LEU 5 H LEU 5 5.195 6.583 -9.760 35 HA LEU 5 HA LEU 5 7.333 8.342 -9.337 36 HB2 LEU 5 HB2 LEU 5 6.952 7.357 -11.492 37 HB3 LEU 5 HB3 LEU 5 5.374 8.132 -11.615 38 HG LEU 5 HG LEU 5 6.896 10.320 -11.416 39 HD11 LEU 5 HD11 LEU 5 8.794 9.441 -13.198 40 HD12 LEU 5 HD12 LEU 5 9.064 9.808 -11.494 41 HD13 LEU 5 HD13 LEU 5 8.744 8.149 -11.998 42 HD21 LEU 5 HD21 LEU 5 7.058 10.016 -14.054 43 HD22 LEU 5 HD22 LEU 5 5.955 8.685 -13.703 44 HD23 LEU 5 HD23 LEU 5 5.530 10.331 -13.232 45 H ASN 6 H ASN 6 7.466 10.444 -8.827 46 HA ASN 6 HA ASN 6 6.872 12.549 -8.202 47 HB2 ASN 6 HB2 ASN 6 4.645 11.920 -10.131 48 HB3 ASN 6 HB3 ASN 6 4.720 13.460 -9.280 49 HD21 ASN 6 HD21 ASN 6 5.525 11.914 -12.056 50 HD22 ASN 6 HD22 ASN 6 6.806 12.939 -12.599 51 H SER 7 H SER 7 5.972 10.150 -6.708 52 HA SER 7 HA SER 7 3.433 10.933 -5.549 53 HB2 SER 7 HB2 SER 7 5.326 8.639 -5.038 54 HB3 SER 7 HB3 SER 7 3.904 8.930 -4.036 55 HG SER 7 HG SER 7 2.693 8.148 -5.563 56 H TYR 8 H TYR 8 3.113 11.750 -3.514 57 HA TYR 8 HA TYR 8 5.121 13.392 -2.424 58 HB2 TYR 8 HB2 TYR 8 2.420 12.496 -1.458 59 HB3 TYR 8 HB3 TYR 8 3.466 13.464 -0.425 60 HD1 TYR 8 HD1 TYR 8 0.742 13.751 -2.406 61 HD2 TYR 8 HD2 TYR 8 4.609 15.481 -2.010 62 HE1 TYR 8 HE1 TYR 8 -0.064 15.793 -3.514 63 HE2 TYR 8 HE2 TYR 8 3.813 17.528 -3.116 64 HH TYR 8 HH TYR 8 0.428 17.872 -4.129 65 H CYS 9 H CYS 9 6.499 13.156 -0.729 66 HA CYS 9 HA CYS 9 6.351 11.058 1.175 67 HB2 CYS 9 HB2 CYS 9 8.295 9.753 0.500 68 HB3 CYS 9 HB3 CYS 9 7.078 9.723 -0.772 69 H THR 10 H THR 10 8.838 10.820 2.096 70 HA THR 10 HA THR 10 9.875 13.562 2.367 71 HB THR 10 HB THR 10 10.419 12.811 4.805 72 HG1 THR 10 HG1 THR 10 8.072 11.267 4.391 73 HG21 THR 10 HG21 THR 10 9.023 14.636 4.688 74 HG22 THR 10 HG22 THR 10 7.835 13.799 3.688 75 HG23 THR 10 HG23 THR 10 7.938 13.450 5.413 76 H ARG 11 H ARG 11 12.090 13.766 2.689 77 HA ARG 11 HA ARG 11 13.684 11.649 1.624 78 HB2 ARG 11 HB2 ARG 11 14.045 14.188 1.393 79 HB3 ARG 11 HB3 ARG 11 14.765 14.098 2.995 80 HG2 ARG 11 HG2 ARG 11 16.216 12.212 1.926 81 HG3 ARG 11 HG3 ARG 11 15.747 12.987 0.412 82 HD2 ARG 11 HD2 ARG 11 17.186 14.653 0.737 83 HD3 ARG 11 HD3 ARG 11 16.565 14.947 2.361 84 HE ARG 11 HE ARG 11 18.945 13.525 1.660 85 HH11 ARG 11 HH11 ARG 11 16.408 13.791 4.029 86 HH12 ARG 11 HH12 ARG 11 17.365 13.140 5.318 87 HH21 ARG 11 HH21 ARG 11 20.215 12.666 3.349 88 HH22 ARG 11 HH22 ARG 11 19.530 12.501 4.930 89 H GLN 12 H GLN 12 12.457 12.171 4.660 90 HA GLN 12 HA GLN 12 14.741 11.209 6.158 91 HB2 GLN 12 HB2 GLN 12 11.928 11.976 6.900 92 HB3 GLN 12 HB3 GLN 12 13.003 11.197 8.053 93 HG2 GLN 12 HG2 GLN 12 13.687 13.744 6.612 94 HG3 GLN 12 HG3 GLN 12 12.897 13.694 8.187 95 HE21 GLN 12 HE21 GLN 12 15.347 14.936 7.742 96 HE22 GLN 12 HE22 GLN 12 16.570 14.077 8.608 97 H HIS 13 H HIS 13 11.902 9.925 4.656 98 HA HIS 13 HA HIS 13 12.734 7.235 5.419 99 HB2 HIS 13 HB2 HIS 13 10.027 8.421 5.996 100 HB3 HIS 13 HB3 HIS 13 10.252 6.684 5.816 101 HD1 HIS 13 HD1 HIS 13 10.898 5.456 7.875 102 HD2 HIS 13 HD2 HIS 13 11.687 9.524 8.173 103 HE1 HIS 13 HE1 HIS 13 11.665 5.820 10.242 104 H ARG 14 H ARG 14 13.353 6.898 3.288 105 HA ARG 14 HA ARG 14 11.795 7.503 1.030 106 HB2 ARG 14 HB2 ARG 14 13.756 5.220 1.208 107 HB3 ARG 14 HB3 ARG 14 13.318 6.160 -0.212 108 HG2 ARG 14 HG2 ARG 14 14.881 7.135 2.169 109 HG3 ARG 14 HG3 ARG 14 15.513 6.792 0.557 110 HD2 ARG 14 HD2 ARG 14 14.057 8.559 -0.357 111 HD3 ARG 14 HD3 ARG 14 13.503 8.923 1.277 112 HE ARG 14 HE ARG 14 15.473 10.032 1.668 113 HH11 ARG 14 HH11 ARG 14 15.763 8.145 -1.243 114 HH12 ARG 14 HH12 ARG 14 17.283 8.841 -1.698 115 HH21 ARG 14 HH21 ARG 14 17.474 10.955 1.080 116 HH22 ARG 14 HH22 ARG 14 18.256 10.439 -0.376 117 H GLU 15 H GLU 15 10.060 6.561 0.169 118 HA GLU 15 HA GLU 15 9.460 3.771 0.838 119 HB2 GLU 15 HB2 GLU 15 8.207 5.473 2.316 120 HB3 GLU 15 HB3 GLU 15 7.290 5.854 0.865 121 HG2 GLU 15 HG2 GLU 15 6.141 4.242 2.303 122 HG3 GLU 15 HG3 GLU 15 6.506 3.579 0.711 123 H CYS 16 H CYS 16 10.288 5.586 -1.536 124 HA CYS 16 HA CYS 16 8.146 5.355 -3.415 125 HB2 CYS 16 HB2 CYS 16 11.070 5.742 -4.060 126 HB3 CYS 16 HB3 CYS 16 9.680 6.220 -5.030 127 H CYS 17 H CYS 17 8.012 3.979 -5.223 128 HA CYS 17 HA CYS 17 8.681 1.284 -4.727 129 HB2 CYS 17 HB2 CYS 17 7.717 2.677 -7.229 130 HB3 CYS 17 HB3 CYS 17 7.900 0.931 -7.098 131 H HIS 18 H HIS 18 9.997 -0.123 -6.071 132 HA HIS 18 HA HIS 18 12.641 0.627 -6.250 133 HB2 HIS 18 HB2 HIS 18 11.070 -1.550 -7.600 134 HB3 HIS 18 HB3 HIS 18 12.784 -1.338 -7.942 135 HD1 HIS 18 HD1 HIS 18 10.467 -2.801 -5.517 136 HD2 HIS 18 HD2 HIS 18 14.472 -1.700 -5.610 137 HE1 HIS 18 HE1 HIS 18 11.527 -3.954 -3.550 138 H GLY 19 H GLY 19 13.841 1.766 -7.640 139 HA2 GLY 19 HA2 GLY 19 14.464 2.354 -9.893 140 HA3 GLY 19 HA3 GLY 19 12.767 2.261 -10.339 141 H LEU 20 H LEU 20 11.890 3.742 -7.966 142 HA LEU 20 HA LEU 20 12.495 6.417 -8.973 143 HB2 LEU 20 HB2 LEU 20 10.427 5.616 -6.938 144 HB3 LEU 20 HB3 LEU 20 10.539 7.148 -7.802 145 HG LEU 20 HG LEU 20 10.048 4.553 -9.235 146 HD11 LEU 20 HD11 LEU 20 8.156 6.236 -7.676 147 HD12 LEU 20 HD12 LEU 20 7.610 5.545 -9.203 148 HD13 LEU 20 HD13 LEU 20 8.186 4.489 -7.913 149 HD21 LEU 20 HD21 LEU 20 8.763 6.754 -10.419 150 HD22 LEU 20 HD22 LEU 20 10.385 7.296 -9.988 151 HD23 LEU 20 HD23 LEU 20 10.173 5.876 -11.012 152 H VAL 21 H VAL 21 12.487 8.174 -7.208 153 HA VAL 21 HA VAL 21 13.795 7.325 -4.742 154 HB VAL 21 HB VAL 21 15.584 9.059 -5.052 155 HG11 VAL 21 HG11 VAL 21 17.001 7.637 -6.450 156 HG12 VAL 21 HG12 VAL 21 16.044 6.678 -5.321 157 HG13 VAL 21 HG13 VAL 21 15.574 6.771 -7.019 158 HG21 VAL 21 HG21 VAL 21 15.702 10.350 -6.867 159 HG22 VAL 21 HG22 VAL 21 15.488 8.975 -7.950 160 HG23 VAL 21 HG23 VAL 21 14.079 9.782 -7.259 161 H CYS 22 H CYS 22 13.319 8.602 -3.038 162 HA CYS 22 HA CYS 22 11.286 10.577 -3.328 163 HB2 CYS 22 HB2 CYS 22 11.665 9.017 -1.338 164 HB3 CYS 22 HB3 CYS 22 12.948 10.121 -0.854 165 H ARG 23 H ARG 23 11.957 12.332 -4.485 166 HA ARG 23 HA ARG 23 14.209 13.867 -3.362 167 HB2 ARG 23 HB2 ARG 23 13.209 13.683 -6.205 168 HB3 ARG 23 HB3 ARG 23 14.351 14.906 -5.661 169 HG2 ARG 23 HG2 ARG 23 15.950 13.184 -5.062 170 HG3 ARG 23 HG3 ARG 23 14.797 11.931 -5.527 171 HD2 ARG 23 HD2 ARG 23 16.505 12.370 -7.260 172 HD3 ARG 23 HD3 ARG 23 14.859 12.662 -7.822 173 HE ARG 23 HE ARG 23 16.172 15.015 -6.823 174 HH11 ARG 23 HH11 ARG 23 15.671 12.976 -9.600 175 HH12 ARG 23 HH12 ARG 23 16.026 14.227 -10.745 176 HH21 ARG 23 HH21 ARG 23 16.641 16.670 -8.321 177 HH22 ARG 23 HH22 ARG 23 16.578 16.327 -10.016 178 H ARG 24 H ARG 24 13.969 16.293 -4.117 179 HA ARG 24 HA ARG 24 11.967 17.470 -2.657 180 HB2 ARG 24 HB2 ARG 24 13.791 18.380 -4.803 181 HB3 ARG 24 HB3 ARG 24 12.388 19.397 -4.503 182 HG2 ARG 24 HG2 ARG 24 13.069 19.358 -2.058 183 HG3 ARG 24 HG3 ARG 24 14.597 18.671 -2.610 184 HD2 ARG 24 HD2 ARG 24 13.502 21.404 -2.950 185 HD3 ARG 24 HD3 ARG 24 15.157 20.878 -2.645 186 HE ARG 24 HE ARG 24 13.905 21.278 -5.204 187 HH11 ARG 24 HH11 ARG 24 16.460 19.662 -3.478 188 HH12 ARG 24 HH12 ARG 24 17.460 19.465 -4.879 189 HH21 ARG 24 HH21 ARG 24 15.212 21.024 -7.057 190 HH22 ARG 24 HH22 ARG 24 16.749 20.241 -6.914 191 HA PRO 25 HA PRO 25 8.210 17.427 -4.922 192 HB2 PRO 25 HB2 PRO 25 7.291 19.971 -4.687 193 HB3 PRO 25 HB3 PRO 25 7.316 18.831 -3.337 194 HG2 PRO 25 HG2 PRO 25 9.244 21.023 -4.003 195 HG3 PRO 25 HG3 PRO 25 8.570 20.566 -2.427 196 HD2 PRO 25 HD2 PRO 25 11.055 19.835 -3.217 197 HD3 PRO 25 HD3 PRO 25 10.053 18.821 -2.159 198 H ASP 26 H ASP 26 6.992 18.367 -6.753 199 HA ASP 26 HA ASP 26 8.819 19.111 -8.879 200 HB2 ASP 26 HB2 ASP 26 5.887 18.387 -8.853 201 HB3 ASP 26 HB3 ASP 26 6.746 18.875 -10.312 202 H TYR 27 H TYR 27 5.513 20.279 -8.348 203 HA TYR 27 HA TYR 27 6.480 23.000 -8.900 204 HB2 TYR 27 HB2 TYR 27 3.652 21.948 -9.099 205 HB3 TYR 27 HB3 TYR 27 4.230 23.522 -9.635 206 HD1 TYR 27 HD1 TYR 27 3.119 20.576 -10.866 207 HD2 TYR 27 HD2 TYR 27 6.523 23.106 -11.201 208 HE1 TYR 27 HE1 TYR 27 3.590 19.638 -13.091 209 HE2 TYR 27 HE2 TYR 27 7.003 22.176 -13.427 210 HH TYR 27 HH TYR 27 6.336 19.725 -14.579 211 H GLY 28 H GLY 28 5.283 21.007 -6.442 212 HA2 GLY 28 HA2 GLY 28 4.070 23.169 -4.914 213 HA3 GLY 28 HA3 GLY 28 4.174 21.482 -4.433 214 H ILE 29 H ILE 29 5.786 24.567 -4.472 215 HA ILE 29 HA ILE 29 7.684 23.530 -2.477 216 HB ILE 29 HB ILE 29 9.430 25.004 -3.349 217 HG12 ILE 29 HG12 ILE 29 7.718 26.604 -4.399 218 HG13 ILE 29 HG13 ILE 29 9.200 26.307 -5.300 219 HG21 ILE 29 HG21 ILE 29 9.445 23.807 -5.761 220 HG22 ILE 29 HG22 ILE 29 9.878 22.990 -4.259 221 HG23 ILE 29 HG23 ILE 29 8.255 22.810 -4.924 222 HD11 ILE 29 HD11 ILE 29 7.179 24.408 -6.041 223 HD12 ILE 29 HD12 ILE 29 6.580 26.059 -6.208 224 HD13 ILE 29 HD13 ILE 29 8.056 25.568 -7.040 225 H GLY 30 H GLY 30 5.263 24.731 -1.830 226 HA2 GLY 30 HA2 GLY 30 6.222 27.248 -0.634 227 HA3 GLY 30 HA3 GLY 30 4.645 27.179 -1.405 228 H ARG 31 H ARG 31 4.057 24.490 -0.457 229 HA ARG 31 HA ARG 31 3.425 25.182 2.328 230 HB2 ARG 31 HB2 ARG 31 1.663 24.569 0.448 231 HB3 ARG 31 HB3 ARG 31 2.088 22.925 0.906 232 HG2 ARG 31 HG2 ARG 31 1.365 24.877 3.035 233 HG3 ARG 31 HG3 ARG 31 0.090 24.162 2.047 234 HD2 ARG 31 HD2 ARG 31 2.107 22.297 3.128 235 HD3 ARG 31 HD3 ARG 31 1.030 23.046 4.307 236 HE ARG 31 HE ARG 31 0.345 21.056 2.354 237 HH11 ARG 31 HH11 ARG 31 -0.865 23.662 4.321 238 HH12 ARG 31 HH12 ARG 31 -2.494 23.073 4.328 239 HH21 ARG 31 HH21 ARG 31 -1.797 20.271 2.356 240 HH22 ARG 31 HH22 ARG 31 -3.023 21.144 3.211 241 H GLY 32 H GLY 32 4.929 24.358 3.652 242 HA2 GLY 32 HA2 GLY 32 6.236 22.816 4.740 243 HA3 GLY 32 HA3 GLY 32 5.129 21.602 4.116 244 H ILE 33 H ILE 33 7.708 20.896 4.411 245 HA ILE 33 HA ILE 33 9.031 21.215 1.826 246 HB ILE 33 HB ILE 33 10.905 19.966 2.894 247 HG12 ILE 33 HG12 ILE 33 9.847 20.387 5.605 248 HG13 ILE 33 HG13 ILE 33 9.009 19.136 4.693 249 HG21 ILE 33 HG21 ILE 33 10.443 22.132 4.816 250 HG22 ILE 33 HG22 ILE 33 11.757 21.895 3.663 251 HG23 ILE 33 HG23 ILE 33 10.226 22.586 3.125 252 HD11 ILE 33 HD11 ILE 33 11.581 18.477 4.203 253 HD12 ILE 33 HD12 ILE 33 11.712 19.164 5.822 254 HD13 ILE 33 HD13 ILE 33 10.614 17.817 5.522 255 H LEU 34 H LEU 34 6.862 19.878 1.274 256 HA LEU 34 HA LEU 34 7.066 17.048 1.643 257 HB2 LEU 34 HB2 LEU 34 5.367 18.722 -0.197 258 HB3 LEU 34 HB3 LEU 34 5.226 16.972 -0.043 259 HG LEU 34 HG LEU 34 4.935 18.674 2.392 260 HD11 LEU 34 HD11 LEU 34 2.610 19.043 1.975 261 HD12 LEU 34 HD12 LEU 34 3.523 19.695 0.614 262 HD13 LEU 34 HD13 LEU 34 2.688 18.150 0.457 263 HD21 LEU 34 HD21 LEU 34 3.575 16.134 1.502 264 HD22 LEU 34 HD22 LEU 34 5.015 16.202 2.517 265 HD23 LEU 34 HD23 LEU 34 3.494 16.879 3.099 266 H TRP 35 H TRP 35 8.408 15.748 0.602 267 HA TRP 35 HA TRP 35 9.572 16.623 -1.937 268 HB2 TRP 35 HB2 TRP 35 10.394 14.697 0.195 269 HB3 TRP 35 HB3 TRP 35 10.990 14.447 -1.444 270 HD1 TRP 35 HD1 TRP 35 10.558 17.944 0.093 271 HE1 TRP 35 HE1 TRP 35 12.879 19.043 0.275 272 HE3 TRP 35 HE3 TRP 35 13.451 13.965 -1.299 273 HZ2 TRP 35 HZ2 TRP 35 15.578 18.318 -0.121 274 HZ3 TRP 35 HZ3 TRP 35 15.894 14.252 -1.373 275 HH2 TRP 35 HH2 TRP 35 16.933 16.384 -0.796 276 H LYS 36 H LYS 36 9.128 15.673 -3.831 277 HA LYS 36 HA LYS 36 7.255 13.413 -3.808 278 HB2 LYS 36 HB2 LYS 36 7.885 15.533 -5.851 279 HB3 LYS 36 HB3 LYS 36 6.989 14.080 -6.275 280 HG2 LYS 36 HG2 LYS 36 5.577 14.872 -4.136 281 HG3 LYS 36 HG3 LYS 36 6.155 16.436 -4.714 282 HD2 LYS 36 HD2 LYS 36 5.352 15.221 -7.031 283 HD3 LYS 36 HD3 LYS 36 4.172 14.617 -5.866 284 HE2 LYS 36 HE2 LYS 36 3.134 16.585 -5.784 285 HE3 LYS 36 HE3 LYS 36 4.649 17.443 -5.506 286 HZ1 LYS 36 HZ1 LYS 36 4.803 16.799 -8.122 287 HZ2 LYS 36 HZ2 LYS 36 3.149 17.111 -7.940 288 HZ3 LYS 36 HZ3 LYS 36 4.284 18.294 -7.521 289 H CYS 37 H CYS 37 7.685 11.512 -4.843 290 HA CYS 37 HA CYS 37 10.383 10.761 -5.193 291 HB2 CYS 37 HB2 CYS 37 7.848 9.379 -6.098 292 HB3 CYS 37 HB3 CYS 37 9.447 8.642 -6.085 293 H THR 38 H THR 38 11.446 10.045 -7.118 294 HA THR 38 HA THR 38 10.343 10.959 -9.661 295 HB THR 38 HB THR 38 13.140 11.780 -8.906 296 HG1 THR 38 HG1 THR 38 10.683 13.082 -8.407 297 HG21 THR 38 HG21 THR 38 12.403 13.562 -10.706 298 HG22 THR 38 HG22 THR 38 12.988 11.971 -11.191 299 HG23 THR 38 HG23 THR 38 11.256 12.301 -11.157 300 H ARG 39 H ARG 39 11.051 9.811 -11.414 301 HA ARG 39 HA ARG 39 12.092 7.245 -11.014 302 HB2 ARG 39 HB2 ARG 39 10.869 8.529 -13.085 303 HB3 ARG 39 HB3 ARG 39 12.514 8.398 -13.691 304 HG2 ARG 39 HG2 ARG 39 12.115 5.887 -12.767 305 HG3 ARG 39 HG3 ARG 39 10.482 6.325 -13.273 306 HD2 ARG 39 HD2 ARG 39 12.161 7.227 -15.316 307 HD3 ARG 39 HD3 ARG 39 12.781 5.637 -14.872 308 HE ARG 39 HE ARG 39 9.935 5.685 -15.214 309 HH11 ARG 39 HH11 ARG 39 12.994 5.396 -16.850 310 HH12 ARG 39 HH12 ARG 39 12.340 4.522 -18.195 311 HH21 ARG 39 HH21 ARG 39 9.061 4.535 -16.979 312 HH22 ARG 39 HH22 ARG 39 10.102 4.034 -18.268 313 H ALA 40 H ALA 40 14.058 6.962 -10.140 314 HA ALA 40 HA ALA 40 16.269 8.636 -10.391 315 HB1 ALA 40 HB1 ALA 40 17.088 7.233 -8.880 316 HB2 ALA 40 HB2 ALA 40 15.681 6.196 -9.118 317 HB3 ALA 40 HB3 ALA 40 17.143 5.931 -10.068 318 H ARG 41 H ARG 41 18.442 7.739 -11.316 319 HA ARG 41 HA ARG 41 18.089 6.456 -13.912 320 HB2 ARG 41 HB2 ARG 41 17.906 9.025 -14.091 321 HB3 ARG 41 HB3 ARG 41 19.631 9.033 -13.753 322 HG2 ARG 41 HG2 ARG 41 18.462 7.413 -15.990 323 HG3 ARG 41 HG3 ARG 41 18.911 9.108 -16.190 324 HD2 ARG 41 HD2 ARG 41 21.157 8.199 -15.059 325 HD3 ARG 41 HD3 ARG 41 20.615 6.713 -15.837 326 HE ARG 41 HE ARG 41 21.762 8.968 -17.112 327 HH11 ARG 41 HH11 ARG 41 19.331 6.511 -17.532 328 HH12 ARG 41 HH12 ARG 41 19.413 6.541 -19.262 329 HH21 ARG 41 HH21 ARG 41 21.878 9.017 -19.390 330 HH22 ARG 41 HH22 ARG 41 20.863 7.967 -20.318 331 H LYS 42 H LYS 42 19.384 4.752 -13.548 332 HA LYS 42 HA LYS 42 22.220 5.284 -13.115 333 HB2 LYS 42 HB2 LYS 42 20.820 4.633 -10.941 334 HB3 LYS 42 HB3 LYS 42 21.071 3.011 -11.571 335 HG2 LYS 42 HG2 LYS 42 23.237 5.006 -10.938 336 HG3 LYS 42 HG3 LYS 42 22.780 3.619 -9.946 337 HD2 LYS 42 HD2 LYS 42 23.850 3.493 -12.766 338 HD3 LYS 42 HD3 LYS 42 24.770 3.150 -11.299 339 HE2 LYS 42 HE2 LYS 42 22.375 1.636 -12.331 340 HE3 LYS 42 HE3 LYS 42 24.047 1.078 -12.308 341 HZ1 LYS 42 HZ1 LYS 42 23.902 1.388 -9.810 342 HZ2 LYS 42 HZ2 LYS 42 22.226 1.497 -10.016 343 HZ3 LYS 42 HZ3 LYS 42 23.044 0.085 -10.465 Start of MODEL 2 1 H1 GLY 1 H GLY 1 1.552 0.570 -0.856 2 HA2 GLY 1 HA2 GLY 1 3.237 -1.547 0.154 3 HA3 GLY 1 HA3 GLY 1 3.162 -1.478 -1.601 4 H CYS 2 H CYS 2 3.615 0.726 -2.556 5 HA CYS 2 HA CYS 2 5.458 2.321 -0.942 6 HB2 CYS 2 HB2 CYS 2 7.043 2.331 -2.959 7 HB3 CYS 2 HB3 CYS 2 7.027 0.886 -1.953 8 H LYS 3 H LYS 3 6.297 4.208 -2.464 9 HA LYS 3 HA LYS 3 3.889 5.520 -3.419 10 HB2 LYS 3 HB2 LYS 3 6.662 6.697 -3.370 11 HB3 LYS 3 HB3 LYS 3 5.120 7.543 -3.339 12 HG2 LYS 3 HG2 LYS 3 6.147 5.784 -1.122 13 HG3 LYS 3 HG3 LYS 3 6.294 7.542 -1.166 14 HD2 LYS 3 HD2 LYS 3 4.347 7.509 -0.042 15 HD3 LYS 3 HD3 LYS 3 3.635 7.219 -1.631 16 HE2 LYS 3 HE2 LYS 3 3.238 5.015 -1.202 17 HE3 LYS 3 HE3 LYS 3 4.619 4.865 -0.116 18 HZ1 LYS 3 HZ1 LYS 3 3.431 5.730 1.649 19 HZ2 LYS 3 HZ2 LYS 3 2.279 6.481 0.662 20 HZ3 LYS 3 HZ3 LYS 3 2.258 4.800 0.859 21 H LYS 4 H LYS 4 3.591 6.340 -5.488 22 HA LYS 4 HA LYS 4 5.062 4.929 -7.567 23 HB2 LYS 4 HB2 LYS 4 2.741 6.802 -7.987 24 HB3 LYS 4 HB3 LYS 4 3.289 5.498 -9.031 25 HG2 LYS 4 HG2 LYS 4 2.672 3.940 -7.098 26 HG3 LYS 4 HG3 LYS 4 1.790 5.322 -6.443 27 HD2 LYS 4 HD2 LYS 4 0.695 5.457 -8.767 28 HD3 LYS 4 HD3 LYS 4 1.312 3.820 -8.997 29 HE2 LYS 4 HE2 LYS 4 0.176 3.312 -6.741 30 HE3 LYS 4 HE3 LYS 4 -0.702 4.817 -7.011 31 HZ1 LYS 4 HZ1 LYS 4 -0.687 2.444 -8.796 32 HZ2 LYS 4 HZ2 LYS 4 -1.976 2.973 -7.836 33 HZ3 LYS 4 HZ3 LYS 4 -1.458 3.908 -9.147 34 H LEU 5 H LEU 5 5.096 6.449 -9.709 35 HA LEU 5 HA LEU 5 7.237 8.212 -9.322 36 HB2 LEU 5 HB2 LEU 5 6.800 7.121 -11.447 37 HB3 LEU 5 HB3 LEU 5 5.294 8.020 -11.620 38 HG LEU 5 HG LEU 5 6.984 10.080 -11.457 39 HD11 LEU 5 HD11 LEU 5 9.044 9.049 -11.244 40 HD12 LEU 5 HD12 LEU 5 8.620 7.741 -12.348 41 HD13 LEU 5 HD13 LEU 5 8.947 9.355 -12.978 42 HD21 LEU 5 HD21 LEU 5 7.035 8.924 -14.138 43 HD22 LEU 5 HD22 LEU 5 5.436 8.920 -13.395 44 HD23 LEU 5 HD23 LEU 5 6.325 10.433 -13.565 45 H ASN 6 H ASN 6 7.367 10.313 -8.826 46 HA ASN 6 HA ASN 6 6.782 12.454 -8.323 47 HB2 ASN 6 HB2 ASN 6 4.204 12.018 -9.828 48 HB3 ASN 6 HB3 ASN 6 5.067 13.530 -9.566 49 HD21 ASN 6 HD21 ASN 6 7.636 12.774 -10.200 50 HD22 ASN 6 HD22 ASN 6 7.718 12.388 -11.882 51 H SER 7 H SER 7 5.893 10.084 -6.743 52 HA SER 7 HA SER 7 3.395 10.938 -5.543 53 HB2 SER 7 HB2 SER 7 5.263 8.628 -5.002 54 HB3 SER 7 HB3 SER 7 3.848 8.961 -4.003 55 HG SER 7 HG SER 7 3.598 8.749 -6.798 56 H TYR 8 H TYR 8 3.139 11.748 -3.481 57 HA TYR 8 HA TYR 8 5.233 13.372 -2.482 58 HB2 TYR 8 HB2 TYR 8 2.496 12.644 -1.475 59 HB3 TYR 8 HB3 TYR 8 3.593 13.603 -0.488 60 HD1 TYR 8 HD1 TYR 8 4.750 15.594 -1.955 61 HD2 TYR 8 HD2 TYR 8 0.938 13.843 -2.665 62 HE1 TYR 8 HE1 TYR 8 4.042 17.630 -3.139 63 HE2 TYR 8 HE2 TYR 8 0.220 15.875 -3.851 64 HH TYR 8 HH TYR 8 0.778 18.214 -3.999 65 H CYS 9 H CYS 9 6.615 13.111 -0.799 66 HA CYS 9 HA CYS 9 6.357 11.049 1.150 67 HB2 CYS 9 HB2 CYS 9 8.334 9.732 0.519 68 HB3 CYS 9 HB3 CYS 9 7.087 9.651 -0.722 69 H THR 10 H THR 10 8.820 10.765 2.122 70 HA THR 10 HA THR 10 9.874 13.499 2.428 71 HB THR 10 HB THR 10 10.373 12.887 4.829 72 HG1 THR 10 HG1 THR 10 9.870 10.936 5.450 73 HG21 THR 10 HG21 THR 10 8.524 14.018 5.395 74 HG22 THR 10 HG22 THR 10 8.105 13.969 3.682 75 HG23 THR 10 HG23 THR 10 7.464 12.749 4.783 76 H ARG 11 H ARG 11 12.102 13.668 2.949 77 HA ARG 11 HA ARG 11 13.715 11.647 1.717 78 HB2 ARG 11 HB2 ARG 11 14.102 14.181 1.692 79 HB3 ARG 11 HB3 ARG 11 14.746 13.981 3.316 80 HG2 ARG 11 HG2 ARG 11 16.291 12.217 2.256 81 HG3 ARG 11 HG3 ARG 11 15.833 12.962 0.723 82 HD2 ARG 11 HD2 ARG 11 17.318 14.575 1.059 83 HD3 ARG 11 HD3 ARG 11 16.484 15.038 2.542 84 HE ARG 11 HE ARG 11 18.088 12.829 3.115 85 HH11 ARG 11 HH11 ARG 11 18.440 16.159 2.163 86 HH12 ARG 11 HH12 ARG 11 19.976 16.355 2.939 87 HH21 ARG 11 HH21 ARG 11 20.110 13.074 4.141 88 HH22 ARG 11 HH22 ARG 11 20.926 14.599 4.063 89 H GLN 12 H GLN 12 12.398 11.885 4.741 90 HA GLN 12 HA GLN 12 14.635 10.838 6.242 91 HB2 GLN 12 HB2 GLN 12 11.760 11.424 6.910 92 HB3 GLN 12 HB3 GLN 12 12.812 10.575 8.036 93 HG2 GLN 12 HG2 GLN 12 14.377 12.515 7.913 94 HG3 GLN 12 HG3 GLN 12 13.155 13.364 6.967 95 HE21 GLN 12 HE21 GLN 12 14.326 12.785 10.024 96 HE22 GLN 12 HE22 GLN 12 12.979 13.356 10.943 97 H HIS 13 H HIS 13 11.802 9.619 4.611 98 HA HIS 13 HA HIS 13 12.773 6.898 5.022 99 HB2 HIS 13 HB2 HIS 13 10.044 7.887 5.823 100 HB3 HIS 13 HB3 HIS 13 10.332 6.194 5.434 101 HD1 HIS 13 HD1 HIS 13 11.094 4.767 7.315 102 HD2 HIS 13 HD2 HIS 13 11.749 8.803 8.055 103 HE1 HIS 13 HE1 HIS 13 11.938 4.888 9.681 104 H ARG 14 H ARG 14 13.348 7.002 2.817 105 HA ARG 14 HA ARG 14 11.607 7.715 0.733 106 HB2 ARG 14 HB2 ARG 14 13.972 5.831 0.730 107 HB3 ARG 14 HB3 ARG 14 13.168 6.422 -0.718 108 HG2 ARG 14 HG2 ARG 14 13.900 8.622 -0.360 109 HG3 ARG 14 HG3 ARG 14 14.353 8.285 1.312 110 HD2 ARG 14 HD2 ARG 14 15.666 6.940 -1.036 111 HD3 ARG 14 HD3 ARG 14 16.248 8.463 -0.364 112 HE ARG 14 HE ARG 14 16.621 5.854 0.727 113 HH11 ARG 14 HH11 ARG 14 16.241 9.214 1.557 114 HH12 ARG 14 HH12 ARG 14 17.096 9.075 3.057 115 HH21 ARG 14 HH21 ARG 14 17.750 5.659 2.700 116 HH22 ARG 14 HH22 ARG 14 17.955 7.053 3.706 117 H GLU 15 H GLU 15 9.605 6.798 0.809 118 HA GLU 15 HA GLU 15 9.412 3.876 0.929 119 HB2 GLU 15 HB2 GLU 15 8.000 5.401 2.410 120 HB3 GLU 15 HB3 GLU 15 7.117 5.829 0.951 121 HG2 GLU 15 HG2 GLU 15 6.065 4.050 2.349 122 HG3 GLU 15 HG3 GLU 15 6.337 3.614 0.662 123 H CYS 16 H CYS 16 10.178 5.716 -1.422 124 HA CYS 16 HA CYS 16 8.107 5.419 -3.355 125 HB2 CYS 16 HB2 CYS 16 11.035 5.800 -3.965 126 HB3 CYS 16 HB3 CYS 16 9.650 6.311 -4.925 127 H CYS 17 H CYS 17 7.994 4.005 -5.119 128 HA CYS 17 HA CYS 17 8.711 1.329 -4.582 129 HB2 CYS 17 HB2 CYS 17 7.695 2.680 -7.085 130 HB3 CYS 17 HB3 CYS 17 7.947 0.941 -6.966 131 H HIS 18 H HIS 18 10.034 -0.073 -5.940 132 HA HIS 18 HA HIS 18 12.670 0.708 -6.122 133 HB2 HIS 18 HB2 HIS 18 11.725 -1.651 -6.209 134 HB3 HIS 18 HB3 HIS 18 11.440 -1.377 -7.925 135 HD1 HIS 18 HD1 HIS 18 14.350 -1.319 -5.478 136 HD2 HIS 18 HD2 HIS 18 13.554 -2.015 -9.496 137 HE1 HIS 18 HE1 HIS 18 16.530 -2.083 -6.473 138 H GLY 19 H GLY 19 13.859 1.852 -7.519 139 HA2 GLY 19 HA2 GLY 19 14.468 2.444 -9.775 140 HA3 GLY 19 HA3 GLY 19 12.770 2.337 -10.214 141 H LEU 20 H LEU 20 11.870 3.814 -7.859 142 HA LEU 20 HA LEU 20 12.461 6.493 -8.862 143 HB2 LEU 20 HB2 LEU 20 10.396 5.674 -6.830 144 HB3 LEU 20 HB3 LEU 20 10.498 7.209 -7.691 145 HG LEU 20 HG LEU 20 10.039 4.620 -9.143 146 HD11 LEU 20 HD11 LEU 20 8.125 6.240 -7.546 147 HD12 LEU 20 HD12 LEU 20 7.582 5.575 -9.087 148 HD13 LEU 20 HD13 LEU 20 8.181 4.499 -7.824 149 HD21 LEU 20 HD21 LEU 20 10.312 7.383 -9.859 150 HD22 LEU 20 HD22 LEU 20 10.139 5.971 -10.901 151 HD23 LEU 20 HD23 LEU 20 8.706 6.803 -10.299 152 H VAL 21 H VAL 21 12.489 8.258 -7.135 153 HA VAL 21 HA VAL 21 13.741 7.435 -4.634 154 HB VAL 21 HB VAL 21 15.588 9.106 -4.958 155 HG11 VAL 21 HG11 VAL 21 15.718 6.565 -5.310 156 HG12 VAL 21 HG12 VAL 21 15.763 6.946 -7.032 157 HG13 VAL 21 HG13 VAL 21 17.021 7.560 -5.959 158 HG21 VAL 21 HG21 VAL 21 15.532 8.940 -7.856 159 HG22 VAL 21 HG22 VAL 21 14.145 9.816 -7.208 160 HG23 VAL 21 HG23 VAL 21 15.782 10.337 -6.809 161 H CYS 22 H CYS 22 13.276 8.771 -2.972 162 HA CYS 22 HA CYS 22 11.323 10.815 -3.364 163 HB2 CYS 22 HB2 CYS 22 11.594 9.265 -1.335 164 HB3 CYS 22 HB3 CYS 22 12.875 10.358 -0.822 165 H ARG 23 H ARG 23 11.956 12.636 -4.360 166 HA ARG 23 HA ARG 23 14.258 14.074 -3.215 167 HB2 ARG 23 HB2 ARG 23 13.418 14.113 -6.118 168 HB3 ARG 23 HB3 ARG 23 14.802 14.939 -5.416 169 HG2 ARG 23 HG2 ARG 23 15.172 12.288 -4.709 170 HG3 ARG 23 HG3 ARG 23 14.551 12.219 -6.360 171 HD2 ARG 23 HD2 ARG 23 16.536 14.304 -6.037 172 HD3 ARG 23 HD3 ARG 23 17.169 12.721 -5.586 173 HE ARG 23 HE ARG 23 17.032 12.063 -7.787 174 HH11 ARG 23 HH11 ARG 23 15.365 15.088 -7.351 175 HH12 ARG 23 HH12 ARG 23 15.172 15.375 -9.049 176 HH21 ARG 23 HH21 ARG 23 16.785 12.430 -10.024 177 HH22 ARG 23 HH22 ARG 23 15.979 13.863 -10.569 178 H ARG 24 H ARG 24 14.034 16.459 -4.485 179 HA ARG 24 HA ARG 24 12.211 17.884 -3.020 180 HB2 ARG 24 HB2 ARG 24 13.870 18.394 -5.364 181 HB3 ARG 24 HB3 ARG 24 12.398 19.356 -5.361 182 HG2 ARG 24 HG2 ARG 24 13.865 20.728 -4.248 183 HG3 ARG 24 HG3 ARG 24 13.069 19.896 -2.910 184 HD2 ARG 24 HD2 ARG 24 15.437 19.934 -2.502 185 HD3 ARG 24 HD3 ARG 24 14.947 18.279 -2.863 186 HE ARG 24 HE ARG 24 15.740 19.360 -5.265 187 HH11 ARG 24 HH11 ARG 24 17.188 18.803 -2.148 188 HH12 ARG 24 HH12 ARG 24 18.787 18.599 -2.782 189 HH21 ARG 24 HH21 ARG 24 17.841 19.095 -6.112 190 HH22 ARG 24 HH22 ARG 24 19.158 18.766 -5.037 191 HA PRO 25 HA PRO 25 8.200 17.473 -4.747 192 HB2 PRO 25 HB2 PRO 25 7.269 20.022 -4.801 193 HB3 PRO 25 HB3 PRO 25 7.488 19.111 -3.302 194 HG2 PRO 25 HG2 PRO 25 9.273 21.167 -4.546 195 HG3 PRO 25 HG3 PRO 25 8.813 20.967 -2.845 196 HD2 PRO 25 HD2 PRO 25 11.192 20.117 -3.821 197 HD3 PRO 25 HD3 PRO 25 10.351 19.285 -2.497 198 H ASP 26 H ASP 26 6.665 18.940 -6.369 199 HA ASP 26 HA ASP 26 7.725 18.444 -8.937 200 HB2 ASP 26 HB2 ASP 26 5.670 19.831 -9.667 201 HB3 ASP 26 HB3 ASP 26 5.391 18.323 -8.800 202 H TYR 27 H TYR 27 6.780 21.572 -7.498 203 HA TYR 27 HA TYR 27 9.055 22.816 -8.868 204 HB2 TYR 27 HB2 TYR 27 6.180 23.726 -9.018 205 HB3 TYR 27 HB3 TYR 27 7.540 24.762 -9.438 206 HD1 TYR 27 HD1 TYR 27 5.104 22.727 -10.786 207 HD2 TYR 27 HD2 TYR 27 9.277 23.492 -11.107 208 HE1 TYR 27 HE1 TYR 27 5.092 21.807 -13.067 209 HE2 TYR 27 HE2 TYR 27 9.276 22.576 -13.389 210 HH TYR 27 HH TYR 27 6.307 21.728 -15.028 211 H GLY 28 H GLY 28 8.605 22.071 -6.096 212 HA2 GLY 28 HA2 GLY 28 9.366 23.085 -4.135 213 HA3 GLY 28 HA3 GLY 28 9.204 24.654 -4.911 214 H ILE 29 H ILE 29 8.346 23.817 -2.249 215 HA ILE 29 HA ILE 29 5.684 24.909 -2.355 216 HB ILE 29 HB ILE 29 5.044 22.833 -0.748 217 HG12 ILE 29 HG12 ILE 29 5.721 20.773 -2.097 218 HG13 ILE 29 HG13 ILE 29 6.946 21.791 -2.847 219 HG21 ILE 29 HG21 ILE 29 3.477 22.325 -2.332 220 HG22 ILE 29 HG22 ILE 29 4.005 23.900 -2.924 221 HG23 ILE 29 HG23 ILE 29 4.628 22.425 -3.664 222 HD11 ILE 29 HD11 ILE 29 7.813 20.437 -0.988 223 HD12 ILE 29 HD12 ILE 29 7.993 22.170 -0.714 224 HD13 ILE 29 HD13 ILE 29 6.714 21.276 0.108 225 H GLY 30 H GLY 30 6.657 26.550 -1.109 226 HA2 GLY 30 HA2 GLY 30 8.185 26.322 1.160 227 HA3 GLY 30 HA3 GLY 30 7.021 27.613 0.899 228 H ARG 31 H ARG 31 4.739 25.777 0.846 229 HA ARG 31 HA ARG 31 4.206 25.752 3.652 230 HB2 ARG 31 HB2 ARG 31 2.619 24.603 1.348 231 HB3 ARG 31 HB3 ARG 31 2.032 24.777 2.996 232 HG2 ARG 31 HG2 ARG 31 2.868 27.036 1.188 233 HG3 ARG 31 HG3 ARG 31 1.207 26.554 1.541 234 HD2 ARG 31 HD2 ARG 31 1.444 28.229 3.069 235 HD3 ARG 31 HD3 ARG 31 2.026 26.873 4.034 236 HE ARG 31 HE ARG 31 4.189 28.027 2.662 237 HH11 ARG 31 HH11 ARG 31 1.975 28.718 5.258 238 HH12 ARG 31 HH12 ARG 31 3.084 29.746 6.104 239 HH21 ARG 31 HH21 ARG 31 5.657 29.380 3.766 240 HH22 ARG 31 HH22 ARG 31 5.177 30.123 5.254 241 H GLY 32 H GLY 32 6.027 24.336 4.246 242 HA2 GLY 32 HA2 GLY 32 6.379 22.281 5.341 243 HA3 GLY 32 HA3 GLY 32 5.114 21.564 4.355 244 H ILE 33 H ILE 33 7.744 20.502 4.892 245 HA ILE 33 HA ILE 33 9.173 20.795 2.367 246 HB ILE 33 HB ILE 33 10.823 19.223 3.436 247 HG12 ILE 33 HG12 ILE 33 9.667 19.795 6.101 248 HG13 ILE 33 HG13 ILE 33 8.819 18.589 5.138 249 HG21 ILE 33 HG21 ILE 33 11.769 20.920 4.897 250 HG22 ILE 33 HG22 ILE 33 11.110 21.658 3.437 251 HG23 ILE 33 HG23 ILE 33 10.217 21.756 4.955 252 HD11 ILE 33 HD11 ILE 33 10.263 17.160 6.054 253 HD12 ILE 33 HD12 ILE 33 11.403 17.791 4.866 254 HD13 ILE 33 HD13 ILE 33 11.392 18.437 6.507 255 H LEU 34 H LEU 34 7.227 19.805 1.284 256 HA LEU 34 HA LEU 34 6.975 16.926 1.597 257 HB2 LEU 34 HB2 LEU 34 5.580 18.871 -0.235 258 HB3 LEU 34 HB3 LEU 34 5.224 17.148 -0.142 259 HG LEU 34 HG LEU 34 4.976 18.917 2.269 260 HD11 LEU 34 HD11 LEU 34 2.418 18.597 1.366 261 HD12 LEU 34 HD12 LEU 34 3.384 20.063 1.199 262 HD13 LEU 34 HD13 LEU 34 3.305 18.902 -0.127 263 HD21 LEU 34 HD21 LEU 34 3.360 16.493 1.571 264 HD22 LEU 34 HD22 LEU 34 4.961 16.339 2.293 265 HD23 LEU 34 HD23 LEU 34 3.684 17.198 3.154 266 H TRP 35 H TRP 35 8.478 15.706 0.663 267 HA TRP 35 HA TRP 35 9.697 16.574 -1.849 268 HB2 TRP 35 HB2 TRP 35 10.441 14.609 0.282 269 HB3 TRP 35 HB3 TRP 35 11.096 14.399 -1.340 270 HD1 TRP 35 HD1 TRP 35 10.606 17.867 0.236 271 HE1 TRP 35 HE1 TRP 35 12.918 18.956 0.539 272 HE3 TRP 35 HE3 TRP 35 13.551 13.900 -1.078 273 HZ2 TRP 35 HZ2 TRP 35 15.632 18.230 0.257 274 HZ3 TRP 35 HZ3 TRP 35 15.995 14.180 -1.036 275 HH2 TRP 35 HH2 TRP 35 17.012 16.302 -0.382 276 H LYS 36 H LYS 36 9.167 15.723 -3.752 277 HA LYS 36 HA LYS 36 7.301 13.471 -3.802 278 HB2 LYS 36 HB2 LYS 36 8.014 15.650 -5.728 279 HB3 LYS 36 HB3 LYS 36 7.278 14.171 -6.330 280 HG2 LYS 36 HG2 LYS 36 5.624 14.776 -4.268 281 HG3 LYS 36 HG3 LYS 36 6.102 16.385 -4.814 282 HD2 LYS 36 HD2 LYS 36 5.419 14.517 -6.972 283 HD3 LYS 36 HD3 LYS 36 4.080 14.909 -5.891 284 HE2 LYS 36 HE2 LYS 36 5.349 17.341 -6.385 285 HE3 LYS 36 HE3 LYS 36 5.330 16.516 -7.942 286 HZ1 LYS 36 HZ1 LYS 36 3.224 17.831 -6.664 287 HZ2 LYS 36 HZ2 LYS 36 3.200 17.021 -8.149 288 HZ3 LYS 36 HZ3 LYS 36 2.827 16.187 -6.725 289 H CYS 37 H CYS 37 7.665 11.597 -4.969 290 HA CYS 37 HA CYS 37 10.407 10.812 -5.229 291 HB2 CYS 37 HB2 CYS 37 7.865 9.360 -5.992 292 HB3 CYS 37 HB3 CYS 37 9.471 8.640 -5.957 293 H THR 38 H THR 38 11.473 10.116 -7.121 294 HA THR 38 HA THR 38 10.258 10.782 -9.689 295 HB THR 38 HB THR 38 11.392 12.852 -9.019 296 HG1 THR 38 HG1 THR 38 12.427 13.100 -10.953 297 HG21 THR 38 HG21 THR 38 13.621 13.000 -8.416 298 HG22 THR 38 HG22 THR 38 13.151 11.476 -7.662 299 HG23 THR 38 HG23 THR 38 14.039 11.469 -9.186 300 H ARG 39 H ARG 39 11.024 9.583 -11.386 301 HA ARG 39 HA ARG 39 12.246 7.126 -10.855 302 HB2 ARG 39 HB2 ARG 39 10.804 7.740 -12.848 303 HB3 ARG 39 HB3 ARG 39 12.230 8.504 -13.539 304 HG2 ARG 39 HG2 ARG 39 13.299 6.140 -13.059 305 HG3 ARG 39 HG3 ARG 39 11.613 5.627 -13.151 306 HD2 ARG 39 HD2 ARG 39 12.796 7.381 -15.270 307 HD3 ARG 39 HD3 ARG 39 13.054 5.637 -15.303 308 HE ARG 39 HE ARG 39 10.321 6.094 -14.990 309 HH11 ARG 39 HH11 ARG 39 12.817 6.600 -17.363 310 HH12 ARG 39 HH12 ARG 39 11.737 6.489 -18.713 311 HH21 ARG 39 HH21 ARG 39 8.889 5.946 -16.759 312 HH22 ARG 39 HH22 ARG 39 9.503 6.118 -18.369 313 H ALA 40 H ALA 40 14.266 6.798 -10.215 314 HA ALA 40 HA ALA 40 16.358 8.665 -10.474 315 HB1 ALA 40 HB1 ALA 40 17.210 7.345 -8.909 316 HB2 ALA 40 HB2 ALA 40 15.957 6.143 -9.218 317 HB3 ALA 40 HB3 ALA 40 17.472 6.088 -10.119 318 H ARG 41 H ARG 41 18.580 7.731 -11.395 319 HA ARG 41 HA ARG 41 18.280 6.380 -13.934 320 HB2 ARG 41 HB2 ARG 41 17.766 8.885 -14.264 321 HB3 ARG 41 HB3 ARG 41 19.485 9.135 -13.988 322 HG2 ARG 41 HG2 ARG 41 18.558 7.186 -16.054 323 HG3 ARG 41 HG3 ARG 41 18.607 8.915 -16.405 324 HD2 ARG 41 HD2 ARG 41 21.033 8.729 -15.433 325 HD3 ARG 41 HD3 ARG 41 20.844 7.024 -15.840 326 HE ARG 41 HE ARG 41 20.094 8.414 -18.092 327 HH11 ARG 41 HH11 ARG 41 22.950 8.157 -16.119 328 HH12 ARG 41 HH12 ARG 41 24.041 8.475 -17.427 329 HH21 ARG 41 HH21 ARG 41 21.519 8.834 -19.822 330 HH22 ARG 41 HH22 ARG 41 23.226 8.862 -19.533 331 H LYS 42 H LYS 42 19.793 4.876 -13.528 332 HA LYS 42 HA LYS 42 22.552 5.781 -13.246 333 HB2 LYS 42 HB2 LYS 42 21.908 5.402 -10.950 334 HB3 LYS 42 HB3 LYS 42 21.217 3.836 -11.357 335 HG2 LYS 42 HG2 LYS 42 24.062 4.195 -12.029 336 HG3 LYS 42 HG3 LYS 42 23.667 4.168 -10.309 337 HD2 LYS 42 HD2 LYS 42 22.746 2.071 -12.268 338 HD3 LYS 42 HD3 LYS 42 24.222 1.933 -11.310 339 HE2 LYS 42 HE2 LYS 42 21.407 2.186 -10.259 340 HE3 LYS 42 HE3 LYS 42 22.414 0.739 -10.228 341 HZ1 LYS 42 HZ1 LYS 42 22.742 3.235 -8.677 342 HZ2 LYS 42 HZ2 LYS 42 22.599 1.649 -8.104 343 HZ3 LYS 42 HZ3 LYS 42 24.020 2.144 -8.877 Start of MODEL 3 1 H1 GLY 1 H GLY 1 2.031 -0.039 1.058 2 HA2 GLY 1 HA2 GLY 1 3.394 -1.742 -0.615 3 HA3 GLY 1 HA3 GLY 1 2.373 -0.788 -1.681 4 H CYS 2 H CYS 2 3.825 0.485 -2.690 5 HA CYS 2 HA CYS 2 5.471 2.233 -0.982 6 HB2 CYS 2 HB2 CYS 2 7.051 2.292 -3.008 7 HB3 CYS 2 HB3 CYS 2 7.053 0.836 -2.019 8 H LYS 3 H LYS 3 6.308 4.147 -2.484 9 HA LYS 3 HA LYS 3 3.893 5.477 -3.394 10 HB2 LYS 3 HB2 LYS 3 6.665 6.652 -3.367 11 HB3 LYS 3 HB3 LYS 3 5.124 7.496 -3.292 12 HG2 LYS 3 HG2 LYS 3 6.231 5.715 -1.130 13 HG3 LYS 3 HG3 LYS 3 6.305 7.479 -1.140 14 HD2 LYS 3 HD2 LYS 3 3.836 7.548 -1.203 15 HD3 LYS 3 HD3 LYS 3 3.805 5.786 -1.105 16 HE2 LYS 3 HE2 LYS 3 3.435 6.859 1.080 17 HE3 LYS 3 HE3 LYS 3 4.883 5.854 1.060 18 HZ1 LYS 3 HZ1 LYS 3 5.064 8.126 2.137 19 HZ2 LYS 3 HZ2 LYS 3 6.260 7.723 1.011 20 HZ3 LYS 3 HZ3 LYS 3 5.005 8.768 0.573 21 H LYS 4 H LYS 4 3.584 6.346 -5.447 22 HA LYS 4 HA LYS 4 5.018 4.954 -7.565 23 HB2 LYS 4 HB2 LYS 4 2.707 6.852 -7.925 24 HB3 LYS 4 HB3 LYS 4 3.235 5.565 -9.000 25 HG2 LYS 4 HG2 LYS 4 2.629 3.976 -7.087 26 HG3 LYS 4 HG3 LYS 4 1.759 5.351 -6.402 27 HD2 LYS 4 HD2 LYS 4 0.695 5.512 -8.773 28 HD3 LYS 4 HD3 LYS 4 1.230 3.837 -8.928 29 HE2 LYS 4 HE2 LYS 4 -0.054 3.194 -7.001 30 HE3 LYS 4 HE3 LYS 4 -0.468 4.874 -6.663 31 HZ1 LYS 4 HZ1 LYS 4 -1.605 3.042 -8.601 32 HZ2 LYS 4 HZ2 LYS 4 -2.320 4.343 -7.790 33 HZ3 LYS 4 HZ3 LYS 4 -1.366 4.621 -9.159 34 H LEU 5 H LEU 5 5.017 6.525 -9.683 35 HA LEU 5 HA LEU 5 7.189 8.252 -9.300 36 HB2 LEU 5 HB2 LEU 5 6.767 7.255 -11.442 37 HB3 LEU 5 HB3 LEU 5 5.200 8.053 -11.553 38 HG LEU 5 HG LEU 5 6.752 10.220 -11.394 39 HD11 LEU 5 HD11 LEU 5 8.872 9.251 -11.239 40 HD12 LEU 5 HD12 LEU 5 8.505 8.031 -12.459 41 HD13 LEU 5 HD13 LEU 5 8.728 9.715 -12.935 42 HD21 LEU 5 HD21 LEU 5 5.624 8.623 -13.572 43 HD22 LEU 5 HD22 LEU 5 5.494 10.350 -13.243 44 HD23 LEU 5 HD23 LEU 5 6.916 9.715 -14.070 45 H ASN 6 H ASN 6 7.366 10.366 -8.837 46 HA ASN 6 HA ASN 6 6.813 12.487 -8.232 47 HB2 ASN 6 HB2 ASN 6 4.535 11.855 -10.097 48 HB3 ASN 6 HB3 ASN 6 4.639 13.404 -9.266 49 HD21 ASN 6 HD21 ASN 6 4.627 13.394 -11.949 50 HD22 ASN 6 HD22 ASN 6 6.189 13.793 -12.569 51 H SER 7 H SER 7 5.922 10.120 -6.681 52 HA SER 7 HA SER 7 3.421 10.944 -5.471 53 HB2 SER 7 HB2 SER 7 5.316 8.651 -4.963 54 HB3 SER 7 HB3 SER 7 3.924 8.970 -3.927 55 HG SER 7 HG SER 7 2.812 8.995 -6.160 56 H TYR 8 H TYR 8 3.155 11.781 -3.430 57 HA TYR 8 HA TYR 8 5.212 13.430 -2.425 58 HB2 TYR 8 HB2 TYR 8 2.517 12.607 -1.373 59 HB3 TYR 8 HB3 TYR 8 3.596 13.615 -0.416 60 HD1 TYR 8 HD1 TYR 8 4.704 15.558 -2.094 61 HD2 TYR 8 HD2 TYR 8 0.833 13.815 -2.368 62 HE1 TYR 8 HE1 TYR 8 3.895 17.556 -3.279 63 HE2 TYR 8 HE2 TYR 8 0.013 15.807 -3.555 64 HH TYR 8 HH TYR 8 1.411 18.659 -3.542 65 H CYS 9 H CYS 9 6.632 13.192 -0.774 66 HA CYS 9 HA CYS 9 6.460 11.142 1.189 67 HB2 CYS 9 HB2 CYS 9 8.372 9.792 0.519 68 HB3 CYS 9 HB3 CYS 9 7.145 9.762 -0.743 69 H THR 10 H THR 10 8.883 10.899 2.168 70 HA THR 10 HA THR 10 10.022 13.610 2.317 71 HB THR 10 HB THR 10 8.753 13.435 4.317 72 HG1 THR 10 HG1 THR 10 10.370 13.884 5.660 73 HG21 THR 10 HG21 THR 10 8.291 11.069 4.351 74 HG22 THR 10 HG22 THR 10 9.990 10.701 4.651 75 HG23 THR 10 HG23 THR 10 9.035 11.520 5.886 76 H ARG 11 H ARG 11 12.244 13.714 2.968 77 HA ARG 11 HA ARG 11 13.807 11.575 1.876 78 HB2 ARG 11 HB2 ARG 11 14.303 14.098 1.787 79 HB3 ARG 11 HB3 ARG 11 14.901 13.909 3.430 80 HG2 ARG 11 HG2 ARG 11 16.431 12.110 2.524 81 HG3 ARG 11 HG3 ARG 11 15.967 12.665 0.915 82 HD2 ARG 11 HD2 ARG 11 17.469 14.295 1.042 83 HD3 ARG 11 HD3 ARG 11 16.649 14.943 2.461 84 HE ARG 11 HE ARG 11 18.357 14.138 3.733 85 HH11 ARG 11 HH11 ARG 11 18.289 12.374 0.732 86 HH12 ARG 11 HH12 ARG 11 19.728 11.473 1.079 87 HH21 ARG 11 HH21 ARG 11 20.253 12.958 4.200 88 HH22 ARG 11 HH22 ARG 11 20.843 11.805 3.052 89 H GLN 12 H GLN 12 12.372 11.962 4.819 90 HA GLN 12 HA GLN 12 14.493 10.928 6.478 91 HB2 GLN 12 HB2 GLN 12 11.586 11.546 6.946 92 HB3 GLN 12 HB3 GLN 12 12.557 10.724 8.159 93 HG2 GLN 12 HG2 GLN 12 13.815 12.576 8.613 94 HG3 GLN 12 HG3 GLN 12 13.577 13.267 7.009 95 HE21 GLN 12 HE21 GLN 12 12.870 15.247 7.629 96 HE22 GLN 12 HE22 GLN 12 11.389 15.521 8.476 97 H HIS 13 H HIS 13 11.685 9.683 4.791 98 HA HIS 13 HA HIS 13 12.656 6.970 5.246 99 HB2 HIS 13 HB2 HIS 13 9.928 7.968 6.041 100 HB3 HIS 13 HB3 HIS 13 10.216 6.270 5.672 101 HD1 HIS 13 HD1 HIS 13 11.011 4.864 7.560 102 HD2 HIS 13 HD2 HIS 13 11.613 8.914 8.265 103 HE1 HIS 13 HE1 HIS 13 11.854 5.016 9.924 104 H ARG 14 H ARG 14 13.228 7.064 3.034 105 HA ARG 14 HA ARG 14 11.461 7.727 0.952 106 HB2 ARG 14 HB2 ARG 14 13.730 5.746 0.760 107 HB3 ARG 14 HB3 ARG 14 13.058 6.737 -0.528 108 HG2 ARG 14 HG2 ARG 14 13.852 8.582 1.366 109 HG3 ARG 14 HG3 ARG 14 15.121 7.356 1.406 110 HD2 ARG 14 HD2 ARG 14 14.170 8.281 -1.250 111 HD3 ARG 14 HD3 ARG 14 15.162 9.389 -0.304 112 HE ARG 14 HE ARG 14 16.031 7.015 -1.642 113 HH11 ARG 14 HH11 ARG 14 16.649 9.125 1.057 114 HH12 ARG 14 HH12 ARG 14 18.328 8.709 1.165 115 HH21 ARG 14 HH21 ARG 14 18.239 6.460 -1.511 116 HH22 ARG 14 HH22 ARG 14 19.231 7.195 -0.297 117 H GLU 15 H GLU 15 9.592 6.757 0.534 118 HA GLU 15 HA GLU 15 9.425 3.833 0.853 119 HB2 GLU 15 HB2 GLU 15 7.512 6.030 1.435 120 HB3 GLU 15 HB3 GLU 15 6.839 4.536 0.797 121 HG2 GLU 15 HG2 GLU 15 8.590 4.732 3.237 122 HG3 GLU 15 HG3 GLU 15 6.830 4.637 3.256 123 H CYS 16 H CYS 16 10.155 5.739 -1.476 124 HA CYS 16 HA CYS 16 8.143 5.417 -3.447 125 HB2 CYS 16 HB2 CYS 16 11.090 5.785 -3.984 126 HB3 CYS 16 HB3 CYS 16 9.737 6.275 -4.999 127 H CYS 17 H CYS 17 8.023 3.990 -5.189 128 HA CYS 17 HA CYS 17 8.737 1.315 -4.642 129 HB2 CYS 17 HB2 CYS 17 7.717 2.657 -7.147 130 HB3 CYS 17 HB3 CYS 17 7.968 0.919 -7.023 131 H HIS 18 H HIS 18 10.054 -0.094 -6.003 132 HA HIS 18 HA HIS 18 12.691 0.683 -6.191 133 HB2 HIS 18 HB2 HIS 18 12.937 -1.297 -7.765 134 HB3 HIS 18 HB3 HIS 18 12.209 -1.641 -6.199 135 HD1 HIS 18 HD1 HIS 18 9.681 -2.236 -6.172 136 HD2 HIS 18 HD2 HIS 18 11.270 -1.666 -9.968 137 HE1 HIS 18 HE1 HIS 18 7.963 -3.151 -7.765 138 H GLY 19 H GLY 19 13.878 1.819 -7.597 139 HA2 GLY 19 HA2 GLY 19 14.483 2.403 -9.856 140 HA3 GLY 19 HA3 GLY 19 12.783 2.296 -10.290 141 H LEU 20 H LEU 20 11.917 3.781 -7.912 142 HA LEU 20 HA LEU 20 12.481 6.455 -8.943 143 HB2 LEU 20 HB2 LEU 20 10.464 5.646 -6.859 144 HB3 LEU 20 HB3 LEU 20 10.543 7.174 -7.733 145 HG LEU 20 HG LEU 20 10.094 4.605 -9.205 146 HD11 LEU 20 HD11 LEU 20 7.635 5.156 -9.021 147 HD12 LEU 20 HD12 LEU 20 8.390 4.481 -7.577 148 HD13 LEU 20 HD13 LEU 20 8.066 6.212 -7.675 149 HD21 LEU 20 HD21 LEU 20 10.023 6.010 -10.921 150 HD22 LEU 20 HD22 LEU 20 8.605 6.775 -10.204 151 HD23 LEU 20 HD23 LEU 20 10.217 7.391 -9.841 152 H VAL 21 H VAL 21 12.503 8.226 -7.197 153 HA VAL 21 HA VAL 21 13.858 7.409 -4.746 154 HB VAL 21 HB VAL 21 15.629 9.166 -5.120 155 HG11 VAL 21 HG11 VAL 21 17.091 7.679 -6.220 156 HG12 VAL 21 HG12 VAL 21 15.905 6.659 -5.405 157 HG13 VAL 21 HG13 VAL 21 15.778 6.944 -7.141 158 HG21 VAL 21 HG21 VAL 21 15.844 10.297 -7.057 159 HG22 VAL 21 HG22 VAL 21 15.347 8.919 -8.038 160 HG23 VAL 21 HG23 VAL 21 14.132 9.921 -7.245 161 H CYS 22 H CYS 22 13.419 8.711 -3.050 162 HA CYS 22 HA CYS 22 11.393 10.704 -3.352 163 HB2 CYS 22 HB2 CYS 22 11.740 9.126 -1.364 164 HB3 CYS 22 HB3 CYS 22 13.022 10.224 -0.862 165 H ARG 23 H ARG 23 11.969 12.549 -4.346 166 HA ARG 23 HA ARG 23 14.229 14.046 -3.197 167 HB2 ARG 23 HB2 ARG 23 14.211 13.024 -5.740 168 HB3 ARG 23 HB3 ARG 23 13.596 14.650 -6.001 169 HG2 ARG 23 HG2 ARG 23 15.769 14.990 -4.303 170 HG3 ARG 23 HG3 ARG 23 16.284 13.761 -5.461 171 HD2 ARG 23 HD2 ARG 23 14.884 16.180 -6.483 172 HD3 ARG 23 HD3 ARG 23 16.561 16.339 -5.963 173 HE ARG 23 HE ARG 23 15.598 15.015 -8.320 174 HH11 ARG 23 HH11 ARG 23 18.179 15.172 -5.990 175 HH12 ARG 23 HH12 ARG 23 19.364 14.503 -7.062 176 HH21 ARG 23 HH21 ARG 23 17.148 14.133 -9.742 177 HH22 ARG 23 HH22 ARG 23 18.776 13.912 -9.196 178 H ARG 24 H ARG 24 13.997 16.440 -4.303 179 HA ARG 24 HA ARG 24 12.028 17.749 -2.921 180 HB2 ARG 24 HB2 ARG 24 13.887 18.418 -5.052 181 HB3 ARG 24 HB3 ARG 24 12.388 19.327 -5.189 182 HG2 ARG 24 HG2 ARG 24 13.708 20.697 -3.879 183 HG3 ARG 24 HG3 ARG 24 12.734 19.837 -2.684 184 HD2 ARG 24 HD2 ARG 24 14.644 18.186 -2.515 185 HD3 ARG 24 HD3 ARG 24 15.596 19.330 -3.460 186 HE ARG 24 HE ARG 24 14.878 19.547 -0.690 187 HH11 ARG 24 HH11 ARG 24 15.744 21.320 -3.558 188 HH12 ARG 24 HH12 ARG 24 16.349 22.690 -2.686 189 HH21 ARG 24 HH21 ARG 24 15.672 21.344 0.469 190 HH22 ARG 24 HH22 ARG 24 16.309 22.702 -0.396 191 HA PRO 25 HA PRO 25 8.185 17.350 -4.997 192 HB2 PRO 25 HB2 PRO 25 7.193 19.877 -4.976 193 HB3 PRO 25 HB3 PRO 25 7.312 18.880 -3.522 194 HG2 PRO 25 HG2 PRO 25 9.137 21.047 -4.487 195 HG3 PRO 25 HG3 PRO 25 8.545 20.732 -2.845 196 HD2 PRO 25 HD2 PRO 25 11.018 19.996 -3.668 197 HD3 PRO 25 HD3 PRO 25 10.094 19.066 -2.471 198 H ASP 26 H ASP 26 6.756 18.500 -6.750 199 HA ASP 26 HA ASP 26 8.416 18.710 -9.115 200 HB2 ASP 26 HB2 ASP 26 5.472 18.436 -8.611 201 HB3 ASP 26 HB3 ASP 26 6.048 18.951 -10.195 202 H TYR 27 H TYR 27 5.504 20.579 -8.333 203 HA TYR 27 HA TYR 27 6.902 22.987 -9.273 204 HB2 TYR 27 HB2 TYR 27 4.854 22.362 -10.501 205 HB3 TYR 27 HB3 TYR 27 3.931 22.473 -9.006 206 HD1 TYR 27 HD1 TYR 27 3.068 24.536 -8.274 207 HD2 TYR 27 HD2 TYR 27 5.955 24.460 -11.399 208 HE1 TYR 27 HE1 TYR 27 2.669 26.927 -8.693 209 HE2 TYR 27 HE2 TYR 27 5.565 26.850 -11.825 210 HH TYR 27 HH TYR 27 3.907 28.852 -9.693 211 H GLY 28 H GLY 28 5.717 21.482 -6.481 212 HA2 GLY 28 HA2 GLY 28 5.531 22.168 -4.299 213 HA3 GLY 28 HA3 GLY 28 6.605 23.486 -4.743 214 H ILE 29 H ILE 29 4.884 24.132 -2.879 215 HA ILE 29 HA ILE 29 2.877 25.753 -4.292 216 HB ILE 29 HB ILE 29 1.325 25.469 -2.400 217 HG12 ILE 29 HG12 ILE 29 3.307 23.377 -1.471 218 HG13 ILE 29 HG13 ILE 29 2.986 24.913 -0.673 219 HG21 ILE 29 HG21 ILE 29 1.800 23.733 -4.480 220 HG22 ILE 29 HG22 ILE 29 1.702 22.665 -3.080 221 HG23 ILE 29 HG23 ILE 29 0.365 23.752 -3.455 222 HD11 ILE 29 HD11 ILE 29 0.504 23.914 -0.732 223 HD12 ILE 29 HD12 ILE 29 1.431 22.415 -0.676 224 HD13 ILE 29 HD13 ILE 29 1.640 23.628 0.587 225 H GLY 30 H GLY 30 5.518 26.501 -3.457 226 HA2 GLY 30 HA2 GLY 30 6.376 28.497 -2.634 227 HA3 GLY 30 HA3 GLY 30 4.815 28.833 -1.900 228 H ARG 31 H ARG 31 4.473 26.596 -0.314 229 HA ARG 31 HA ARG 31 6.781 26.709 1.512 230 HB2 ARG 31 HB2 ARG 31 4.415 27.938 2.034 231 HB3 ARG 31 HB3 ARG 31 4.120 26.354 2.738 232 HG2 ARG 31 HG2 ARG 31 5.800 26.596 4.312 233 HG3 ARG 31 HG3 ARG 31 6.624 27.851 3.384 234 HD2 ARG 31 HD2 ARG 31 5.086 29.488 4.004 235 HD3 ARG 31 HD3 ARG 31 3.869 28.301 4.470 236 HE ARG 31 HE ARG 31 6.263 28.219 6.067 237 HH11 ARG 31 HH11 ARG 31 3.120 29.663 5.666 238 HH12 ARG 31 HH12 ARG 31 2.963 30.097 7.335 239 HH21 ARG 31 HH21 ARG 31 6.067 28.786 8.267 240 HH22 ARG 31 HH22 ARG 31 4.640 29.598 8.814 241 H GLY 32 H GLY 32 6.221 24.947 3.378 242 HA2 GLY 32 HA2 GLY 32 5.887 22.720 3.900 243 HA3 GLY 32 HA3 GLY 32 5.001 22.543 2.393 244 H ILE 33 H ILE 33 7.489 21.297 3.960 245 HA ILE 33 HA ILE 33 9.353 21.186 1.714 246 HB ILE 33 HB ILE 33 9.679 19.832 4.386 247 HG12 ILE 33 HG12 ILE 33 10.556 22.614 3.580 248 HG13 ILE 33 HG13 ILE 33 9.298 22.232 4.750 249 HG21 ILE 33 HG21 ILE 33 11.662 19.176 3.623 250 HG22 ILE 33 HG22 ILE 33 11.153 19.730 2.027 251 HG23 ILE 33 HG23 ILE 33 12.063 20.808 3.086 252 HD11 ILE 33 HD11 ILE 33 11.472 20.845 5.696 253 HD12 ILE 33 HD12 ILE 33 12.177 22.337 5.073 254 HD13 ILE 33 HD13 ILE 33 10.894 22.406 6.281 255 H LEU 34 H LEU 34 7.170 20.003 0.859 256 HA LEU 34 HA LEU 34 7.183 17.170 1.470 257 HB2 LEU 34 HB2 LEU 34 5.582 18.796 -0.498 258 HB3 LEU 34 HB3 LEU 34 5.372 17.067 -0.227 259 HG LEU 34 HG LEU 34 5.078 18.983 2.052 260 HD11 LEU 34 HD11 LEU 34 2.649 19.075 1.533 261 HD12 LEU 34 HD12 LEU 34 3.658 19.948 0.380 262 HD13 LEU 34 HD13 LEU 34 3.002 18.367 -0.043 263 HD21 LEU 34 HD21 LEU 34 3.554 17.257 2.861 264 HD22 LEU 34 HD22 LEU 34 3.807 16.330 1.382 265 HD23 LEU 34 HD23 LEU 34 5.144 16.583 2.504 266 H TRP 35 H TRP 35 8.536 15.810 0.525 267 HA TRP 35 HA TRP 35 9.790 16.552 -2.009 268 HB2 TRP 35 HB2 TRP 35 10.478 14.696 0.220 269 HB3 TRP 35 HB3 TRP 35 11.079 14.309 -1.390 270 HD1 TRP 35 HD1 TRP 35 10.826 17.958 -0.303 271 HE1 TRP 35 HE1 TRP 35 13.202 18.920 -0.071 272 HE3 TRP 35 HE3 TRP 35 13.508 13.644 -0.876 273 HZ2 TRP 35 HZ2 TRP 35 15.862 17.975 -0.125 274 HZ3 TRP 35 HZ3 TRP 35 15.963 13.759 -0.773 275 HH2 TRP 35 HH2 TRP 35 17.114 15.881 -0.406 276 H LYS 36 H LYS 36 9.194 15.685 -3.881 277 HA LYS 36 HA LYS 36 7.308 13.446 -3.851 278 HB2 LYS 36 HB2 LYS 36 7.987 15.575 -5.854 279 HB3 LYS 36 HB3 LYS 36 7.164 14.107 -6.365 280 HG2 LYS 36 HG2 LYS 36 5.628 14.809 -4.266 281 HG3 LYS 36 HG3 LYS 36 6.167 16.398 -4.814 282 HD2 LYS 36 HD2 LYS 36 5.422 14.796 -7.072 283 HD3 LYS 36 HD3 LYS 36 4.112 14.801 -5.889 284 HE2 LYS 36 HE2 LYS 36 5.230 17.439 -6.183 285 HE3 LYS 36 HE3 LYS 36 4.741 16.796 -7.750 286 HZ1 LYS 36 HZ1 LYS 36 3.121 17.670 -5.548 287 HZ2 LYS 36 HZ2 LYS 36 2.712 17.472 -7.178 288 HZ3 LYS 36 HZ3 LYS 36 2.667 16.147 -6.128 289 H CYS 37 H CYS 37 7.664 11.536 -4.926 290 HA CYS 37 HA CYS 37 10.366 10.718 -5.246 291 HB2 CYS 37 HB2 CYS 37 7.789 9.349 -6.045 292 HB3 CYS 37 HB3 CYS 37 9.376 8.586 -6.054 293 H THR 38 H THR 38 11.459 10.074 -7.128 294 HA THR 38 HA THR 38 10.287 10.784 -9.705 295 HB THR 38 HB THR 38 11.363 12.849 -9.135 296 HG1 THR 38 HG1 THR 38 12.301 12.962 -11.035 297 HG21 THR 38 HG21 THR 38 13.646 13.038 -8.430 298 HG22 THR 38 HG22 THR 38 12.854 11.867 -7.376 299 HG23 THR 38 HG23 THR 38 13.918 11.312 -8.669 300 H ARG 39 H ARG 39 10.964 9.507 -11.347 301 HA ARG 39 HA ARG 39 12.241 7.086 -10.828 302 HB2 ARG 39 HB2 ARG 39 10.775 7.897 -12.854 303 HB3 ARG 39 HB3 ARG 39 12.335 8.283 -13.568 304 HG2 ARG 39 HG2 ARG 39 12.880 5.804 -12.821 305 HG3 ARG 39 HG3 ARG 39 11.127 5.648 -12.952 306 HD2 ARG 39 HD2 ARG 39 12.755 6.880 -15.149 307 HD3 ARG 39 HD3 ARG 39 12.560 5.132 -15.025 308 HE ARG 39 HE ARG 39 10.017 6.108 -14.902 309 HH11 ARG 39 HH11 ARG 39 12.663 6.424 -17.142 310 HH12 ARG 39 HH12 ARG 39 11.639 6.624 -18.525 311 HH21 ARG 39 HH21 ARG 39 8.658 6.370 -16.715 312 HH22 ARG 39 HH22 ARG 39 9.361 6.594 -18.281 313 H ALA 40 H ALA 40 14.272 6.827 -10.182 314 HA ALA 40 HA ALA 40 16.338 8.703 -10.548 315 HB1 ALA 40 HB1 ALA 40 16.005 6.156 -9.259 316 HB2 ALA 40 HB2 ALA 40 17.554 6.223 -10.100 317 HB3 ALA 40 HB3 ALA 40 17.147 7.452 -8.902 318 H ARG 41 H ARG 41 18.519 7.958 -11.539 319 HA ARG 41 HA ARG 41 18.263 6.393 -13.961 320 HB2 ARG 41 HB2 ARG 41 17.524 8.831 -14.421 321 HB3 ARG 41 HB3 ARG 41 19.232 9.221 -14.265 322 HG2 ARG 41 HG2 ARG 41 18.463 7.019 -16.102 323 HG3 ARG 41 HG3 ARG 41 18.139 8.681 -16.599 324 HD2 ARG 41 HD2 ARG 41 20.830 7.801 -15.593 325 HD3 ARG 41 HD3 ARG 41 20.374 7.669 -17.291 326 HE ARG 41 HE ARG 41 21.156 10.031 -15.917 327 HH11 ARG 41 HH11 ARG 41 19.059 8.844 -18.429 328 HH12 ARG 41 HH12 ARG 41 19.020 10.348 -19.288 329 HH21 ARG 41 HH21 ARG 41 21.113 12.017 -17.039 330 HH22 ARG 41 HH22 ARG 41 20.189 12.152 -18.497 331 H LYS 42 H LYS 42 19.908 5.056 -13.462 332 HA LYS 42 HA LYS 42 22.343 5.961 -12.259 333 HB2 LYS 42 HB2 LYS 42 21.926 3.310 -13.630 334 HB3 LYS 42 HB3 LYS 42 23.045 3.693 -12.328 335 HG2 LYS 42 HG2 LYS 42 20.044 3.547 -12.140 336 HG3 LYS 42 HG3 LYS 42 21.208 2.405 -11.465 337 HD2 LYS 42 HD2 LYS 42 20.933 5.309 -10.686 338 HD3 LYS 42 HD3 LYS 42 20.340 3.932 -9.754 339 HE2 LYS 42 HE2 LYS 42 23.212 4.568 -10.420 340 HE3 LYS 42 HE3 LYS 42 22.443 4.690 -8.838 341 HZ1 LYS 42 HZ1 LYS 42 23.715 2.671 -8.977 342 HZ2 LYS 42 HZ2 LYS 42 22.071 2.280 -8.910 343 HZ3 LYS 42 HZ3 LYS 42 22.901 2.194 -10.381 Start of MODEL 4 1 H1 GLY 1 H GLY 1 1.595 0.729 -0.136 2 HA2 GLY 1 HA2 GLY 1 3.364 -1.520 0.104 3 HA3 GLY 1 HA3 GLY 1 2.947 -1.171 -1.568 4 H CYS 2 H CYS 2 3.714 0.704 -2.545 5 HA CYS 2 HA CYS 2 5.569 2.346 -0.970 6 HB2 CYS 2 HB2 CYS 2 7.090 2.313 -3.032 7 HB3 CYS 2 HB3 CYS 2 7.074 0.870 -2.024 8 H LYS 3 H LYS 3 6.387 4.214 -2.518 9 HA LYS 3 HA LYS 3 3.970 5.546 -3.430 10 HB2 LYS 3 HB2 LYS 3 6.746 6.712 -3.415 11 HB3 LYS 3 HB3 LYS 3 5.208 7.563 -3.354 12 HG2 LYS 3 HG2 LYS 3 6.305 5.808 -1.166 13 HG3 LYS 3 HG3 LYS 3 6.384 7.571 -1.200 14 HD2 LYS 3 HD2 LYS 3 4.476 7.399 -0.001 15 HD3 LYS 3 HD3 LYS 3 3.745 7.215 -1.598 16 HE2 LYS 3 HE2 LYS 3 3.465 4.940 -1.353 17 HE3 LYS 3 HE3 LYS 3 4.763 4.801 -0.167 18 HZ1 LYS 3 HZ1 LYS 3 3.406 5.617 1.521 19 HZ2 LYS 3 HZ2 LYS 3 2.266 6.258 0.447 20 HZ3 LYS 3 HZ3 LYS 3 2.382 4.583 0.658 21 H LYS 4 H LYS 4 3.648 6.364 -5.494 22 HA LYS 4 HA LYS 4 5.085 4.950 -7.592 23 HB2 LYS 4 HB2 LYS 4 2.775 6.845 -7.976 24 HB3 LYS 4 HB3 LYS 4 3.302 5.545 -9.036 25 HG2 LYS 4 HG2 LYS 4 2.696 3.978 -7.105 26 HG3 LYS 4 HG3 LYS 4 1.829 5.362 -6.435 27 HD2 LYS 4 HD2 LYS 4 0.797 5.481 -8.845 28 HD3 LYS 4 HD3 LYS 4 1.276 3.783 -8.907 29 HE2 LYS 4 HE2 LYS 4 -0.245 3.156 -7.335 30 HE3 LYS 4 HE3 LYS 4 -0.167 4.699 -6.486 31 HZ1 LYS 4 HZ1 LYS 4 -1.320 4.729 -9.162 32 HZ2 LYS 4 HZ2 LYS 4 -2.238 3.983 -7.952 33 HZ3 LYS 4 HZ3 LYS 4 -1.765 5.599 -7.781 34 H LEU 5 H LEU 5 5.069 6.500 -9.734 35 HA LEU 5 HA LEU 5 7.252 8.219 -9.387 36 HB2 LEU 5 HB2 LEU 5 6.804 7.209 -11.516 37 HB3 LEU 5 HB3 LEU 5 5.239 8.013 -11.618 38 HG LEU 5 HG LEU 5 6.807 10.173 -11.490 39 HD11 LEU 5 HD11 LEU 5 8.532 7.958 -12.536 40 HD12 LEU 5 HD12 LEU 5 8.750 9.622 -13.077 41 HD13 LEU 5 HD13 LEU 5 8.927 9.220 -11.369 42 HD21 LEU 5 HD21 LEU 5 5.867 8.505 -13.774 43 HD22 LEU 5 HD22 LEU 5 5.343 10.107 -13.255 44 HD23 LEU 5 HD23 LEU 5 6.879 9.912 -14.099 45 H ASN 6 H ASN 6 7.436 10.310 -8.868 46 HA ASN 6 HA ASN 6 6.901 12.434 -8.256 47 HB2 ASN 6 HB2 ASN 6 4.660 11.859 -10.185 48 HB3 ASN 6 HB3 ASN 6 4.778 13.401 -9.343 49 HD21 ASN 6 HD21 ASN 6 5.525 11.832 -12.115 50 HD22 ASN 6 HD22 ASN 6 6.843 12.808 -12.660 51 H SER 7 H SER 7 5.949 10.086 -6.734 52 HA SER 7 HA SER 7 3.420 10.926 -5.595 53 HB2 SER 7 HB2 SER 7 5.278 8.612 -5.058 54 HB3 SER 7 HB3 SER 7 3.881 8.944 -4.035 55 HG SER 7 HG SER 7 2.773 8.984 -6.258 56 H TYR 8 H TYR 8 3.104 11.664 -3.499 57 HA TYR 8 HA TYR 8 5.136 13.336 -2.451 58 HB2 TYR 8 HB2 TYR 8 2.412 12.504 -1.492 59 HB3 TYR 8 HB3 TYR 8 3.469 13.466 -0.465 60 HD1 TYR 8 HD1 TYR 8 0.799 13.731 -2.573 61 HD2 TYR 8 HD2 TYR 8 4.627 15.486 -1.963 62 HE1 TYR 8 HE1 TYR 8 0.038 15.773 -3.715 63 HE2 TYR 8 HE2 TYR 8 3.876 17.533 -3.101 64 HH TYR 8 HH TYR 8 0.866 18.388 -3.554 65 H CYS 9 H CYS 9 6.501 13.094 -0.747 66 HA CYS 9 HA CYS 9 6.296 10.993 1.161 67 HB2 CYS 9 HB2 CYS 9 8.291 9.724 0.526 68 HB3 CYS 9 HB3 CYS 9 7.078 9.658 -0.749 69 H THR 10 H THR 10 8.771 10.762 2.133 70 HA THR 10 HA THR 10 9.749 13.518 2.483 71 HB THR 10 HB THR 10 10.198 12.985 4.872 72 HG1 THR 10 HG1 THR 10 8.399 10.836 4.716 73 HG21 THR 10 HG21 THR 10 8.250 14.275 4.439 74 HG22 THR 10 HG22 THR 10 7.354 12.861 3.882 75 HG23 THR 10 HG23 THR 10 7.772 13.024 5.588 76 H ARG 11 H ARG 11 11.957 13.771 2.825 77 HA ARG 11 HA ARG 11 13.618 11.762 1.673 78 HB2 ARG 11 HB2 ARG 11 13.941 14.294 1.569 79 HB3 ARG 11 HB3 ARG 11 14.578 14.174 3.203 80 HG2 ARG 11 HG2 ARG 11 16.183 12.418 2.210 81 HG3 ARG 11 HG3 ARG 11 15.720 13.110 0.654 82 HD2 ARG 11 HD2 ARG 11 17.324 14.620 1.000 83 HD3 ARG 11 HD3 ARG 11 16.254 15.323 2.212 84 HE ARG 11 HE ARG 11 17.546 13.419 3.608 85 HH11 ARG 11 HH11 ARG 11 18.656 15.961 1.503 86 HH12 ARG 11 HH12 ARG 11 20.164 16.166 2.331 87 HH21 ARG 11 HH21 ARG 11 19.528 13.680 4.706 88 HH22 ARG 11 HH22 ARG 11 20.659 14.867 4.153 89 H GLN 12 H GLN 12 12.385 12.146 4.755 90 HA GLN 12 HA GLN 12 14.652 11.157 6.228 91 HB2 GLN 12 HB2 GLN 12 11.775 11.694 6.929 92 HB3 GLN 12 HB3 GLN 12 12.865 10.903 8.061 93 HG2 GLN 12 HG2 GLN 12 14.345 12.838 8.000 94 HG3 GLN 12 HG3 GLN 12 13.265 13.631 6.855 95 HE21 GLN 12 HE21 GLN 12 11.395 14.560 7.574 96 HE22 GLN 12 HE22 GLN 12 11.003 14.733 9.247 97 H HIS 13 H HIS 13 11.795 9.822 4.721 98 HA HIS 13 HA HIS 13 12.853 7.139 5.163 99 HB2 HIS 13 HB2 HIS 13 10.131 8.080 6.041 100 HB3 HIS 13 HB3 HIS 13 10.448 6.385 5.684 101 HD1 HIS 13 HD1 HIS 13 11.316 5.027 7.569 102 HD2 HIS 13 HD2 HIS 13 11.892 9.095 8.184 103 HE1 HIS 13 HE1 HIS 13 12.243 5.230 9.898 104 H ARG 14 H ARG 14 13.347 7.235 2.929 105 HA ARG 14 HA ARG 14 11.487 7.822 0.906 106 HB2 ARG 14 HB2 ARG 14 13.872 5.971 0.739 107 HB3 ARG 14 HB3 ARG 14 13.051 6.740 -0.614 108 HG2 ARG 14 HG2 ARG 14 14.144 8.671 -0.337 109 HG3 ARG 14 HG3 ARG 14 14.006 8.610 1.422 110 HD2 ARG 14 HD2 ARG 14 16.347 8.489 0.580 111 HD3 ARG 14 HD3 ARG 14 15.870 7.118 1.581 112 HE ARG 14 HE ARG 14 15.400 6.469 -1.102 113 HH11 ARG 14 HH11 ARG 14 18.058 7.078 1.063 114 HH12 ARG 14 HH12 ARG 14 19.163 6.057 0.203 115 HH21 ARG 14 HH21 ARG 14 16.845 5.121 -2.242 116 HH22 ARG 14 HH22 ARG 14 18.472 4.945 -1.677 117 H GLU 15 H GLU 15 9.666 6.782 0.467 118 HA GLU 15 HA GLU 15 9.597 3.857 0.827 119 HB2 GLU 15 HB2 GLU 15 7.628 5.981 1.506 120 HB3 GLU 15 HB3 GLU 15 6.994 4.450 0.920 121 HG2 GLU 15 HG2 GLU 15 9.031 4.349 3.066 122 HG3 GLU 15 HG3 GLU 15 7.422 4.931 3.491 123 H CYS 16 H CYS 16 10.234 5.674 -1.531 124 HA CYS 16 HA CYS 16 8.111 5.360 -3.404 125 HB2 CYS 16 HB2 CYS 16 11.024 5.773 -4.074 126 HB3 CYS 16 HB3 CYS 16 9.619 6.240 -5.027 127 H CYS 17 H CYS 17 7.979 3.953 -5.181 128 HA CYS 17 HA CYS 17 8.708 1.278 -4.657 129 HB2 CYS 17 HB2 CYS 17 7.679 2.611 -7.166 130 HB3 CYS 17 HB3 CYS 17 7.892 0.871 -7.004 131 H HIS 18 H HIS 18 10.005 -0.121 -6.056 132 HA HIS 18 HA HIS 18 12.641 0.650 -6.262 133 HB2 HIS 18 HB2 HIS 18 12.901 -1.308 -7.819 134 HB3 HIS 18 HB3 HIS 18 12.079 -1.679 -6.306 135 HD1 HIS 18 HD1 HIS 18 9.627 -2.401 -6.437 136 HD2 HIS 18 HD2 HIS 18 11.273 -1.421 -10.123 137 HE1 HIS 18 HE1 HIS 18 7.968 -3.201 -8.148 138 H GLY 19 H GLY 19 13.823 1.801 -7.660 139 HA2 GLY 19 HA2 GLY 19 14.405 2.425 -9.914 140 HA3 GLY 19 HA3 GLY 19 12.699 2.341 -10.329 141 H LEU 20 H LEU 20 11.831 3.788 -7.955 142 HA LEU 20 HA LEU 20 12.465 6.479 -8.905 143 HB2 LEU 20 HB2 LEU 20 10.364 5.661 -6.911 144 HB3 LEU 20 HB3 LEU 20 10.496 7.201 -7.758 145 HG LEU 20 HG LEU 20 10.033 4.640 -9.253 146 HD11 LEU 20 HD11 LEU 20 8.176 4.490 -7.929 147 HD12 LEU 20 HD12 LEU 20 8.103 6.228 -7.638 148 HD13 LEU 20 HD13 LEU 20 7.574 5.570 -9.186 149 HD21 LEU 20 HD21 LEU 20 8.697 6.852 -10.358 150 HD22 LEU 20 HD22 LEU 20 10.307 7.415 -9.908 151 HD23 LEU 20 HD23 LEU 20 10.126 6.028 -10.982 152 H VAL 21 H VAL 21 12.482 8.206 -7.133 153 HA VAL 21 HA VAL 21 13.703 7.311 -4.641 154 HB VAL 21 HB VAL 21 15.560 8.986 -4.907 155 HG11 VAL 21 HG11 VAL 21 16.985 7.495 -6.153 156 HG12 VAL 21 HG12 VAL 21 15.863 6.543 -5.180 157 HG13 VAL 21 HG13 VAL 21 15.587 6.734 -6.912 158 HG21 VAL 21 HG21 VAL 21 14.160 9.809 -7.109 159 HG22 VAL 21 HG22 VAL 21 15.842 10.209 -6.763 160 HG23 VAL 21 HG23 VAL 21 15.458 8.855 -7.826 161 H CYS 22 H CYS 22 13.247 8.614 -2.948 162 HA CYS 22 HA CYS 22 11.288 10.655 -3.285 163 HB2 CYS 22 HB2 CYS 22 11.580 9.089 -1.282 164 HB3 CYS 22 HB3 CYS 22 12.883 10.159 -0.775 165 H ARG 23 H ARG 23 12.028 12.392 -4.420 166 HA ARG 23 HA ARG 23 14.296 13.863 -3.246 167 HB2 ARG 23 HB2 ARG 23 13.500 13.402 -6.091 168 HB3 ARG 23 HB3 ARG 23 14.316 14.901 -5.667 169 HG2 ARG 23 HG2 ARG 23 15.993 13.234 -4.487 170 HG3 ARG 23 HG3 ARG 23 15.341 12.119 -5.690 171 HD2 ARG 23 HD2 ARG 23 16.609 14.801 -6.239 172 HD3 ARG 23 HD3 ARG 23 17.342 13.223 -6.528 173 HE ARG 23 HE ARG 23 15.064 13.113 -7.977 174 HH11 ARG 23 HH11 ARG 23 17.665 15.420 -7.795 175 HH12 ARG 23 HH12 ARG 23 17.510 15.921 -9.447 176 HH21 ARG 23 HH21 ARG 23 14.850 13.764 -10.152 177 HH22 ARG 23 HH22 ARG 23 15.908 14.979 -10.786 178 H ARG 24 H ARG 24 14.078 16.271 -4.389 179 HA ARG 24 HA ARG 24 12.239 17.649 -2.899 180 HB2 ARG 24 HB2 ARG 24 13.935 18.241 -5.200 181 HB3 ARG 24 HB3 ARG 24 12.474 19.219 -5.166 182 HG2 ARG 24 HG2 ARG 24 14.039 20.488 -4.006 183 HG3 ARG 24 HG3 ARG 24 13.087 19.719 -2.734 184 HD2 ARG 24 HD2 ARG 24 15.362 19.519 -2.098 185 HD3 ARG 24 HD3 ARG 24 14.848 17.925 -2.652 186 HE ARG 24 HE ARG 24 15.920 19.052 -4.872 187 HH11 ARG 24 HH11 ARG 24 17.064 18.577 -1.618 188 HH12 ARG 24 HH12 ARG 24 18.728 18.446 -2.082 189 HH21 ARG 24 HH21 ARG 24 18.108 18.881 -5.496 190 HH22 ARG 24 HH22 ARG 24 19.320 18.621 -4.289 191 HA PRO 25 HA PRO 25 8.257 17.350 -4.713 192 HB2 PRO 25 HB2 PRO 25 7.358 19.911 -4.712 193 HB3 PRO 25 HB3 PRO 25 7.537 18.955 -3.236 194 HG2 PRO 25 HG2 PRO 25 9.369 21.023 -4.388 195 HG3 PRO 25 HG3 PRO 25 8.875 20.781 -2.702 196 HD2 PRO 25 HD2 PRO 25 11.261 19.929 -3.658 197 HD3 PRO 25 HD3 PRO 25 10.386 19.071 -2.374 198 H ASP 26 H ASP 26 6.770 18.375 -6.435 199 HA ASP 26 HA ASP 26 8.320 18.578 -8.882 200 HB2 ASP 26 HB2 ASP 26 6.357 17.087 -8.786 201 HB3 ASP 26 HB3 ASP 26 5.323 18.478 -8.476 202 H TYR 27 H TYR 27 5.456 20.355 -7.714 203 HA TYR 27 HA TYR 27 6.531 22.761 -9.014 204 HB2 TYR 27 HB2 TYR 27 3.773 21.760 -8.483 205 HB3 TYR 27 HB3 TYR 27 4.027 23.501 -8.516 206 HD1 TYR 27 HD1 TYR 27 4.217 24.653 -10.559 207 HD2 TYR 27 HD2 TYR 27 4.433 20.404 -10.519 208 HE1 TYR 27 HE1 TYR 27 4.097 24.629 -13.016 209 HE2 TYR 27 HE2 TYR 27 4.315 20.368 -12.975 210 HH TYR 27 HH TYR 27 4.222 23.375 -14.854 211 H GLY 28 H GLY 28 7.923 22.636 -6.916 212 HA2 GLY 28 HA2 GLY 28 8.489 23.637 -4.930 213 HA3 GLY 28 HA3 GLY 28 7.235 24.812 -5.299 214 H ILE 29 H ILE 29 7.027 24.793 -2.914 215 HA ILE 29 HA ILE 29 4.965 22.876 -2.146 216 HB ILE 29 HB ILE 29 6.089 22.703 0.152 217 HG12 ILE 29 HG12 ILE 29 7.805 24.502 -0.539 218 HG13 ILE 29 HG13 ILE 29 8.393 23.100 0.349 219 HG21 ILE 29 HG21 ILE 29 5.933 20.730 -1.069 220 HG22 ILE 29 HG22 ILE 29 7.016 21.312 -2.333 221 HG23 ILE 29 HG23 ILE 29 7.662 20.873 -0.752 222 HD11 ILE 29 HD11 ILE 29 8.460 22.681 -2.513 223 HD12 ILE 29 HD12 ILE 29 9.399 24.089 -2.016 224 HD13 ILE 29 HD13 ILE 29 9.738 22.508 -1.311 225 H GLY 30 H GLY 30 3.485 24.575 -2.216 226 HA2 GLY 30 HA2 GLY 30 3.693 27.120 -1.230 227 HA3 GLY 30 HA3 GLY 30 2.199 26.195 -1.205 228 H ARG 31 H ARG 31 3.344 24.167 0.607 229 HA ARG 31 HA ARG 31 4.006 25.570 3.036 230 HB2 ARG 31 HB2 ARG 31 1.270 24.467 2.541 231 HB3 ARG 31 HB3 ARG 31 1.950 24.372 4.160 232 HG2 ARG 31 HG2 ARG 31 1.142 26.412 4.485 233 HG3 ARG 31 HG3 ARG 31 2.415 26.988 3.407 234 HD2 ARG 31 HD2 ARG 31 0.983 27.363 1.707 235 HD3 ARG 31 HD3 ARG 31 0.017 25.934 2.071 236 HE ARG 31 HE ARG 31 -1.375 27.237 3.343 237 HH11 ARG 31 HH11 ARG 31 1.556 28.993 2.676 238 HH12 ARG 31 HH12 ARG 31 0.960 30.488 3.316 239 HH21 ARG 31 HH21 ARG 31 -2.171 29.200 4.189 240 HH22 ARG 31 HH22 ARG 31 -1.160 30.605 4.178 241 H GLY 32 H GLY 32 5.061 24.277 4.462 242 HA2 GLY 32 HA2 GLY 32 5.990 22.380 5.377 243 HA3 GLY 32 HA3 GLY 32 4.724 21.452 4.587 244 H ILE 33 H ILE 33 7.602 20.891 4.892 245 HA ILE 33 HA ILE 33 8.674 21.130 2.207 246 HB ILE 33 HB ILE 33 10.599 19.808 3.174 247 HG12 ILE 33 HG12 ILE 33 9.724 20.466 5.913 248 HG13 ILE 33 HG13 ILE 33 8.837 19.152 5.148 249 HG21 ILE 33 HG21 ILE 33 11.495 21.705 4.401 250 HG22 ILE 33 HG22 ILE 33 10.607 22.253 2.979 251 HG23 ILE 33 HG23 ILE 33 9.874 22.377 4.578 252 HD11 ILE 33 HD11 ILE 33 11.746 19.320 5.812 253 HD12 ILE 33 HD12 ILE 33 10.567 18.090 6.267 254 HD13 ILE 33 HD13 ILE 33 11.146 18.184 4.604 255 H LEU 34 H LEU 34 7.036 19.874 1.131 256 HA LEU 34 HA LEU 34 7.004 17.012 1.711 257 HB2 LEU 34 HB2 LEU 34 5.391 18.679 -0.212 258 HB3 LEU 34 HB3 LEU 34 5.206 16.940 0.005 259 HG LEU 34 HG LEU 34 4.859 18.791 2.331 260 HD11 LEU 34 HD11 LEU 34 2.321 18.174 1.288 261 HD12 LEU 34 HD12 LEU 34 3.077 19.760 1.440 262 HD13 LEU 34 HD13 LEU 34 3.271 18.829 -0.045 263 HD21 LEU 34 HD21 LEU 34 4.985 16.373 2.713 264 HD22 LEU 34 HD22 LEU 34 3.390 17.014 3.106 265 HD23 LEU 34 HD23 LEU 34 3.639 16.130 1.600 266 H TRP 35 H TRP 35 8.363 15.700 0.707 267 HA TRP 35 HA TRP 35 9.626 16.576 -1.783 268 HB2 TRP 35 HB2 TRP 35 10.340 14.602 0.349 269 HB3 TRP 35 HB3 TRP 35 11.006 14.392 -1.268 270 HD1 TRP 35 HD1 TRP 35 10.535 17.790 0.505 271 HE1 TRP 35 HE1 TRP 35 12.849 18.891 0.753 272 HE3 TRP 35 HE3 TRP 35 13.444 13.972 -1.256 273 HZ2 TRP 35 HZ2 TRP 35 15.549 18.229 0.267 274 HZ3 TRP 35 HZ3 TRP 35 15.884 14.287 -1.332 275 HH2 TRP 35 HH2 TRP 35 16.912 16.372 -0.587 276 H LYS 36 H LYS 36 9.181 15.684 -3.698 277 HA LYS 36 HA LYS 36 7.292 13.442 -3.760 278 HB2 LYS 36 HB2 LYS 36 7.987 15.632 -5.689 279 HB3 LYS 36 HB3 LYS 36 7.220 14.160 -6.270 280 HG2 LYS 36 HG2 LYS 36 5.624 14.801 -4.165 281 HG3 LYS 36 HG3 LYS 36 6.101 16.397 -4.751 282 HD2 LYS 36 HD2 LYS 36 5.495 14.853 -7.027 283 HD3 LYS 36 HD3 LYS 36 4.206 14.553 -5.858 284 HE2 LYS 36 HE2 LYS 36 3.736 16.889 -5.675 285 HE3 LYS 36 HE3 LYS 36 5.164 17.306 -6.622 286 HZ1 LYS 36 HZ1 LYS 36 3.046 17.415 -7.875 287 HZ2 LYS 36 HZ2 LYS 36 4.181 16.364 -8.561 288 HZ3 LYS 36 HZ3 LYS 36 2.875 15.743 -7.682 289 H CYS 37 H CYS 37 7.676 11.583 -4.940 290 HA CYS 37 HA CYS 37 10.394 10.775 -5.166 291 HB2 CYS 37 HB2 CYS 37 7.858 9.441 -6.137 292 HB3 CYS 37 HB3 CYS 37 9.445 8.679 -6.103 293 H THR 38 H THR 38 11.486 10.050 -7.076 294 HA THR 38 HA THR 38 10.457 11.006 -9.634 295 HB THR 38 HB THR 38 13.244 11.782 -8.790 296 HG1 THR 38 HG1 THR 38 12.456 13.737 -8.144 297 HG21 THR 38 HG21 THR 38 12.197 13.573 -10.654 298 HG22 THR 38 HG22 THR 38 13.379 12.299 -10.958 299 HG23 THR 38 HG23 THR 38 11.661 11.985 -11.202 300 H ARG 39 H ARG 39 11.140 9.823 -11.360 301 HA ARG 39 HA ARG 39 12.211 7.263 -10.920 302 HB2 ARG 39 HB2 ARG 39 10.767 8.146 -12.878 303 HB3 ARG 39 HB3 ARG 39 12.298 8.636 -13.592 304 HG2 ARG 39 HG2 ARG 39 12.913 6.110 -13.026 305 HG3 ARG 39 HG3 ARG 39 11.165 5.934 -13.191 306 HD2 ARG 39 HD2 ARG 39 12.589 7.488 -15.278 307 HD3 ARG 39 HD3 ARG 39 12.830 5.741 -15.261 308 HE ARG 39 HE ARG 39 10.117 6.087 -15.099 309 HH11 ARG 39 HH11 ARG 39 12.626 7.048 -17.314 310 HH12 ARG 39 HH12 ARG 39 11.585 7.043 -18.699 311 HH21 ARG 39 HH21 ARG 39 8.737 6.077 -16.916 312 HH22 ARG 39 HH22 ARG 39 9.373 6.491 -18.471 313 H ALA 40 H ALA 40 14.218 6.972 -10.174 314 HA ALA 40 HA ALA 40 16.390 8.693 -10.525 315 HB1 ALA 40 HB1 ALA 40 15.895 6.212 -9.239 316 HB2 ALA 40 HB2 ALA 40 17.376 6.054 -10.184 317 HB3 ALA 40 HB3 ALA 40 17.228 7.338 -8.984 318 H ARG 41 H ARG 41 18.544 7.747 -11.505 319 HA ARG 41 HA ARG 41 18.067 6.486 -14.097 320 HB2 ARG 41 HB2 ARG 41 19.423 8.219 -15.249 321 HB3 ARG 41 HB3 ARG 41 17.903 8.838 -14.616 322 HG2 ARG 41 HG2 ARG 41 19.282 9.570 -12.579 323 HG3 ARG 41 HG3 ARG 41 20.685 9.309 -13.618 324 HD2 ARG 41 HD2 ARG 41 20.348 11.251 -14.645 325 HD3 ARG 41 HD3 ARG 41 18.685 10.807 -15.027 326 HE ARG 41 HE ARG 41 19.585 12.493 -12.869 327 HH11 ARG 41 HH11 ARG 41 17.012 10.494 -14.094 328 HH12 ARG 41 HH12 ARG 41 15.783 11.270 -13.151 329 HH21 ARG 41 HH21 ARG 41 17.976 13.524 -11.622 330 HH22 ARG 41 HH22 ARG 41 16.333 12.994 -11.746 331 H LYS 42 H LYS 42 19.312 4.733 -13.839 332 HA LYS 42 HA LYS 42 21.808 4.808 -12.417 333 HB2 LYS 42 HB2 LYS 42 20.461 2.807 -12.292 334 HB3 LYS 42 HB3 LYS 42 20.468 2.641 -14.043 335 HG2 LYS 42 HG2 LYS 42 22.754 2.049 -14.075 336 HG3 LYS 42 HG3 LYS 42 22.976 2.536 -12.393 337 HD2 LYS 42 HD2 LYS 42 22.869 0.111 -12.580 338 HD3 LYS 42 HD3 LYS 42 21.481 0.727 -11.680 339 HE2 LYS 42 HE2 LYS 42 20.944 0.593 -14.521 340 HE3 LYS 42 HE3 LYS 42 21.427 -0.975 -13.878 341 HZ1 LYS 42 HZ1 LYS 42 19.651 0.081 -12.050 342 HZ2 LYS 42 HZ2 LYS 42 18.969 0.399 -13.565 343 HZ3 LYS 42 HZ3 LYS 42 19.366 -1.188 -13.133 Start of MODEL 5 1 H1 GLY 1 H GLY 1 1.456 -0.354 -1.936 2 HA2 GLY 1 HA2 GLY 1 2.781 -0.790 0.595 3 HA3 GLY 1 HA3 GLY 1 3.305 -1.379 -0.976 4 H CYS 2 H CYS 2 3.813 0.689 -2.485 5 HA CYS 2 HA CYS 2 5.591 2.441 -0.919 6 HB2 CYS 2 HB2 CYS 2 7.093 2.375 -2.995 7 HB3 CYS 2 HB3 CYS 2 7.078 0.945 -1.968 8 H LYS 3 H LYS 3 6.406 4.283 -2.501 9 HA LYS 3 HA LYS 3 3.988 5.623 -3.399 10 HB2 LYS 3 HB2 LYS 3 6.779 6.757 -3.434 11 HB3 LYS 3 HB3 LYS 3 5.253 7.629 -3.383 12 HG2 LYS 3 HG2 LYS 3 6.315 5.893 -1.163 13 HG3 LYS 3 HG3 LYS 3 6.462 7.651 -1.236 14 HD2 LYS 3 HD2 LYS 3 4.239 7.991 -0.808 15 HD3 LYS 3 HD3 LYS 3 3.754 6.454 -1.529 16 HE2 LYS 3 HE2 LYS 3 4.734 5.278 0.409 17 HE3 LYS 3 HE3 LYS 3 5.121 6.838 1.133 18 HZ1 LYS 3 HZ1 LYS 3 2.436 5.708 0.594 19 HZ2 LYS 3 HZ2 LYS 3 3.105 6.128 2.090 20 HZ3 LYS 3 HZ3 LYS 3 2.681 7.336 0.984 21 H LYS 4 H LYS 4 3.642 6.413 -5.471 22 HA LYS 4 HA LYS 4 5.038 4.957 -7.569 23 HB2 LYS 4 HB2 LYS 4 2.729 6.857 -7.941 24 HB3 LYS 4 HB3 LYS 4 3.236 5.544 -8.996 25 HG2 LYS 4 HG2 LYS 4 2.663 4.009 -7.016 26 HG3 LYS 4 HG3 LYS 4 1.784 5.402 -6.383 27 HD2 LYS 4 HD2 LYS 4 1.323 4.534 -9.202 28 HD3 LYS 4 HD3 LYS 4 0.567 3.635 -7.884 29 HE2 LYS 4 HE2 LYS 4 0.346 6.623 -8.120 30 HE3 LYS 4 HE3 LYS 4 -0.777 5.535 -8.933 31 HZ1 LYS 4 HZ1 LYS 4 -1.908 5.706 -7.022 32 HZ2 LYS 4 HZ2 LYS 4 -0.804 4.563 -6.442 33 HZ3 LYS 4 HZ3 LYS 4 -0.562 6.208 -6.127 34 H LEU 5 H LEU 5 4.983 6.484 -9.733 35 HA LEU 5 HA LEU 5 7.187 8.187 -9.456 36 HB2 LEU 5 HB2 LEU 5 6.628 7.135 -11.561 37 HB3 LEU 5 HB3 LEU 5 5.115 8.037 -11.641 38 HG LEU 5 HG LEU 5 6.364 10.117 -11.926 39 HD11 LEU 5 HD11 LEU 5 8.802 10.011 -12.343 40 HD12 LEU 5 HD12 LEU 5 8.360 9.617 -10.682 41 HD13 LEU 5 HD13 LEU 5 8.788 8.330 -11.809 42 HD21 LEU 5 HD21 LEU 5 5.786 8.429 -13.830 43 HD22 LEU 5 HD22 LEU 5 6.815 9.822 -14.165 44 HD23 LEU 5 HD23 LEU 5 7.536 8.231 -13.921 45 H ASN 6 H ASN 6 7.398 10.270 -8.927 46 HA ASN 6 HA ASN 6 6.897 12.401 -8.312 47 HB2 ASN 6 HB2 ASN 6 4.729 11.823 -10.300 48 HB3 ASN 6 HB3 ASN 6 4.682 13.319 -9.373 49 HD21 ASN 6 HD21 ASN 6 7.263 11.433 -10.917 50 HD22 ASN 6 HD22 ASN 6 7.909 12.749 -11.831 51 H SER 7 H SER 7 5.925 10.070 -6.778 52 HA SER 7 HA SER 7 3.416 10.955 -5.621 53 HB2 SER 7 HB2 SER 7 5.231 8.601 -5.101 54 HB3 SER 7 HB3 SER 7 3.842 8.958 -4.074 55 HG SER 7 HG SER 7 3.526 8.797 -6.863 56 H TYR 8 H TYR 8 3.133 11.696 -3.524 57 HA TYR 8 HA TYR 8 5.215 13.313 -2.484 58 HB2 TYR 8 HB2 TYR 8 2.472 12.561 -1.517 59 HB3 TYR 8 HB3 TYR 8 3.559 13.492 -0.493 60 HD1 TYR 8 HD1 TYR 8 4.754 15.497 -1.950 61 HD2 TYR 8 HD2 TYR 8 0.907 13.816 -2.637 62 HE1 TYR 8 HE1 TYR 8 4.061 17.565 -3.087 63 HE2 TYR 8 HE2 TYR 8 0.203 15.879 -3.778 64 HH TYR 8 HH TYR 8 1.707 18.730 -3.512 65 H CYS 9 H CYS 9 6.587 13.025 -0.796 66 HA CYS 9 HA CYS 9 6.319 10.886 1.084 67 HB2 CYS 9 HB2 CYS 9 8.350 9.660 0.463 68 HB3 CYS 9 HB3 CYS 9 7.159 9.606 -0.833 69 H THR 10 H THR 10 8.491 10.698 2.375 70 HA THR 10 HA THR 10 9.454 13.448 2.814 71 HB THR 10 HB THR 10 8.194 12.548 4.716 72 HG1 THR 10 HG1 THR 10 9.695 13.869 5.516 73 HG21 THR 10 HG21 THR 10 8.414 10.454 5.460 74 HG22 THR 10 HG22 THR 10 9.466 10.149 4.078 75 HG23 THR 10 HG23 THR 10 10.161 10.632 5.625 76 H ARG 11 H ARG 11 11.646 13.812 3.209 77 HA ARG 11 HA ARG 11 13.430 12.049 1.848 78 HB2 ARG 11 HB2 ARG 11 13.850 14.399 1.701 79 HB3 ARG 11 HB3 ARG 11 13.872 14.566 3.451 80 HG2 ARG 11 HG2 ARG 11 15.919 13.212 3.539 81 HG3 ARG 11 HG3 ARG 11 15.905 13.106 1.777 82 HD2 ARG 11 HD2 ARG 11 15.732 15.765 2.063 83 HD3 ARG 11 HD3 ARG 11 16.603 15.372 3.545 84 HE ARG 11 HE ARG 11 17.721 14.147 1.202 85 HH11 ARG 11 HH11 ARG 11 17.652 17.020 3.167 86 HH12 ARG 11 HH12 ARG 11 19.220 17.559 2.664 87 HH21 ARG 11 HH21 ARG 11 19.787 14.846 0.532 88 HH22 ARG 11 HH22 ARG 11 20.433 16.322 1.165 89 H GLN 12 H GLN 12 12.317 12.263 5.056 90 HA GLN 12 HA GLN 12 14.588 11.306 6.442 91 HB2 GLN 12 HB2 GLN 12 11.642 11.294 7.060 92 HB3 GLN 12 HB3 GLN 12 12.818 10.574 8.151 93 HG2 GLN 12 HG2 GLN 12 12.655 12.655 9.052 94 HG3 GLN 12 HG3 GLN 12 13.985 12.912 7.923 95 HE21 GLN 12 HE21 GLN 12 10.649 13.549 8.621 96 HE22 GLN 12 HE22 GLN 12 10.421 14.780 7.431 97 H HIS 13 H HIS 13 11.794 9.667 5.004 98 HA HIS 13 HA HIS 13 13.354 7.197 4.923 99 HB2 HIS 13 HB2 HIS 13 10.667 7.526 6.238 100 HB3 HIS 13 HB3 HIS 13 11.189 5.968 5.602 101 HD1 HIS 13 HD1 HIS 13 10.708 6.777 8.679 102 HD2 HIS 13 HD2 HIS 13 14.357 6.325 6.744 103 HE1 HIS 13 HE1 HIS 13 12.375 6.282 10.495 104 H ARG 14 H ARG 14 13.535 7.364 2.706 105 HA ARG 14 HA ARG 14 11.438 7.991 0.943 106 HB2 ARG 14 HB2 ARG 14 13.771 6.210 0.255 107 HB3 ARG 14 HB3 ARG 14 12.881 7.293 -0.807 108 HG2 ARG 14 HG2 ARG 14 13.756 9.162 0.743 109 HG3 ARG 14 HG3 ARG 14 14.926 7.950 1.270 110 HD2 ARG 14 HD2 ARG 14 14.485 8.916 -1.553 111 HD3 ARG 14 HD3 ARG 14 15.858 9.302 -0.516 112 HE ARG 14 HE ARG 14 15.509 6.950 -2.079 113 HH11 ARG 14 HH11 ARG 14 16.858 8.140 0.901 114 HH12 ARG 14 HH12 ARG 14 18.065 6.901 1.002 115 HH21 ARG 14 HH21 ARG 14 17.093 5.314 -1.959 116 HH22 ARG 14 HH22 ARG 14 18.198 5.294 -0.626 117 H GLU 15 H GLU 15 9.650 6.883 0.548 118 HA GLU 15 HA GLU 15 9.723 3.949 0.812 119 HB2 GLU 15 HB2 GLU 15 7.757 5.982 1.659 120 HB3 GLU 15 HB3 GLU 15 7.074 4.539 0.921 121 HG2 GLU 15 HG2 GLU 15 7.145 4.246 3.293 122 HG3 GLU 15 HG3 GLU 15 8.317 3.161 2.547 123 H CYS 16 H CYS 16 10.325 5.680 -1.547 124 HA CYS 16 HA CYS 16 8.157 5.405 -3.385 125 HB2 CYS 16 HB2 CYS 16 11.073 5.791 -4.072 126 HB3 CYS 16 HB3 CYS 16 9.673 6.230 -5.046 127 H CYS 17 H CYS 17 7.988 3.996 -5.162 128 HA CYS 17 HA CYS 17 8.683 1.312 -4.632 129 HB2 CYS 17 HB2 CYS 17 7.628 2.659 -7.122 130 HB3 CYS 17 HB3 CYS 17 7.841 0.917 -6.981 131 H HIS 18 H HIS 18 9.927 -0.111 -6.068 132 HA HIS 18 HA HIS 18 12.577 0.626 -6.305 133 HB2 HIS 18 HB2 HIS 18 11.100 -1.471 -7.911 134 HB3 HIS 18 HB3 HIS 18 12.849 -1.365 -7.741 135 HD1 HIS 18 HD1 HIS 18 13.871 -2.121 -5.496 136 HD2 HIS 18 HD2 HIS 18 9.738 -2.495 -5.685 137 HE1 HIS 18 HE1 HIS 18 13.233 -3.537 -3.518 138 H GLY 19 H GLY 19 13.750 1.750 -7.733 139 HA2 GLY 19 HA2 GLY 19 14.307 2.349 -9.998 140 HA3 GLY 19 HA3 GLY 19 12.596 2.271 -10.393 141 H LEU 20 H LEU 20 11.784 3.749 -8.006 142 HA LEU 20 HA LEU 20 12.394 6.424 -9.010 143 HB2 LEU 20 HB2 LEU 20 10.364 5.632 -6.932 144 HB3 LEU 20 HB3 LEU 20 10.470 7.166 -7.793 145 HG LEU 20 HG LEU 20 9.959 4.606 -9.270 146 HD11 LEU 20 HD11 LEU 20 8.053 6.204 -7.617 147 HD12 LEU 20 HD12 LEU 20 7.499 5.431 -9.102 148 HD13 LEU 20 HD13 LEU 20 8.187 4.455 -7.804 149 HD21 LEU 20 HD21 LEU 20 10.172 7.389 -9.917 150 HD22 LEU 20 HD22 LEU 20 9.962 6.006 -10.991 151 HD23 LEU 20 HD23 LEU 20 8.551 6.809 -10.301 152 H VAL 21 H VAL 21 12.440 8.172 -7.236 153 HA VAL 21 HA VAL 21 13.792 7.299 -4.803 154 HB VAL 21 HB VAL 21 15.574 9.061 -5.164 155 HG11 VAL 21 HG11 VAL 21 16.964 7.582 -6.575 156 HG12 VAL 21 HG12 VAL 21 16.098 6.709 -5.311 157 HG13 VAL 21 HG13 VAL 21 15.521 6.651 -6.976 158 HG21 VAL 21 HG21 VAL 21 14.087 9.814 -7.296 159 HG22 VAL 21 HG22 VAL 21 15.801 10.182 -7.104 160 HG23 VAL 21 HG23 VAL 21 15.298 8.802 -8.081 161 H CYS 22 H CYS 22 13.345 8.562 -3.085 162 HA CYS 22 HA CYS 22 11.348 10.583 -3.343 163 HB2 CYS 22 HB2 CYS 22 11.703 8.976 -1.379 164 HB3 CYS 22 HB3 CYS 22 12.994 10.060 -0.873 165 H ARG 23 H ARG 23 12.003 12.383 -4.407 166 HA ARG 23 HA ARG 23 14.288 13.847 -3.256 167 HB2 ARG 23 HB2 ARG 23 13.402 13.576 -6.120 168 HB3 ARG 23 HB3 ARG 23 14.410 14.917 -5.592 169 HG2 ARG 23 HG2 ARG 23 16.126 13.362 -4.853 170 HG3 ARG 23 HG3 ARG 23 15.109 12.000 -5.327 171 HD2 ARG 23 HD2 ARG 23 15.170 12.766 -7.650 172 HD3 ARG 23 HD3 ARG 23 16.185 14.127 -7.175 173 HE ARG 23 HE ARG 23 17.523 11.892 -6.313 174 HH11 ARG 23 HH11 ARG 23 16.332 13.076 -9.363 175 HH12 ARG 23 HH12 ARG 23 17.567 12.297 -10.296 176 HH21 ARG 23 HH21 ARG 23 19.154 10.862 -7.530 177 HH22 ARG 23 HH22 ARG 23 19.171 11.037 -9.253 178 H ARG 24 H ARG 24 14.055 16.279 -4.244 179 HA ARG 24 HA ARG 24 12.136 17.551 -2.746 180 HB2 ARG 24 HB2 ARG 24 13.965 18.297 -4.887 181 HB3 ARG 24 HB3 ARG 24 12.491 19.256 -4.909 182 HG2 ARG 24 HG2 ARG 24 13.475 20.548 -3.395 183 HG3 ARG 24 HG3 ARG 24 13.190 19.238 -2.246 184 HD2 ARG 24 HD2 ARG 24 15.525 19.984 -2.220 185 HD3 ARG 24 HD3 ARG 24 15.379 18.304 -2.735 186 HE ARG 24 HE ARG 24 15.380 19.916 -5.016 187 HH11 ARG 24 HH11 ARG 24 17.526 18.990 -2.436 188 HH12 ARG 24 HH12 ARG 24 18.962 19.171 -3.389 189 HH21 ARG 24 HH21 ARG 24 17.262 20.158 -6.281 190 HH22 ARG 24 HH22 ARG 24 18.810 19.837 -5.576 191 HA PRO 25 HA PRO 25 8.259 17.357 -4.789 192 HB2 PRO 25 HB2 PRO 25 7.338 19.907 -4.650 193 HB3 PRO 25 HB3 PRO 25 7.446 18.847 -3.240 194 HG2 PRO 25 HG2 PRO 25 9.319 21.003 -4.138 195 HG3 PRO 25 HG3 PRO 25 8.738 20.635 -2.504 196 HD2 PRO 25 HD2 PRO 25 11.179 19.868 -3.388 197 HD3 PRO 25 HD3 PRO 25 10.244 18.914 -2.219 198 H ASP 26 H ASP 26 6.834 18.738 -6.438 199 HA ASP 26 HA ASP 26 8.436 18.902 -8.845 200 HB2 ASP 26 HB2 ASP 26 5.534 18.739 -8.211 201 HB3 ASP 26 HB3 ASP 26 5.985 19.508 -9.730 202 H TYR 27 H TYR 27 5.762 21.008 -7.827 203 HA TYR 27 HA TYR 27 6.969 23.275 -9.101 204 HB2 TYR 27 HB2 TYR 27 4.548 23.140 -7.291 205 HB3 TYR 27 HB3 TYR 27 5.001 24.503 -8.309 206 HD1 TYR 27 HD1 TYR 27 3.286 21.346 -8.155 207 HD2 TYR 27 HD2 TYR 27 4.986 24.197 -10.817 208 HE1 TYR 27 HE1 TYR 27 1.981 20.386 -10.006 209 HE2 TYR 27 HE2 TYR 27 3.685 23.246 -12.675 210 HH TYR 27 HH TYR 27 1.601 21.931 -12.981 211 H GLY 28 H GLY 28 6.836 21.994 -5.871 212 HA2 GLY 28 HA2 GLY 28 7.836 22.656 -3.914 213 HA3 GLY 28 HA3 GLY 28 8.968 23.537 -4.929 214 H ILE 29 H ILE 29 5.611 24.309 -5.165 215 HA ILE 29 HA ILE 29 5.867 26.543 -3.300 216 HB ILE 29 HB ILE 29 5.064 26.939 -6.185 217 HG12 ILE 29 HG12 ILE 29 7.515 26.597 -5.808 218 HG13 ILE 29 HG13 ILE 29 7.109 28.186 -6.448 219 HG21 ILE 29 HG21 ILE 29 4.976 28.668 -3.763 220 HG22 ILE 29 HG22 ILE 29 5.331 29.408 -5.324 221 HG23 ILE 29 HG23 ILE 29 3.824 28.524 -5.091 222 HD11 ILE 29 HD11 ILE 29 7.220 28.057 -3.530 223 HD12 ILE 29 HD12 ILE 29 8.751 27.725 -4.341 224 HD13 ILE 29 HD13 ILE 29 7.901 29.240 -4.647 225 H GLY 30 H GLY 30 4.336 25.166 -2.153 226 HA2 GLY 30 HA2 GLY 30 1.688 26.037 -2.416 227 HA3 GLY 30 HA3 GLY 30 1.811 24.463 -3.189 228 H ARG 31 H ARG 31 3.798 23.412 -1.389 229 HA ARG 31 HA ARG 31 2.230 23.239 1.099 230 HB2 ARG 31 HB2 ARG 31 3.289 21.085 -0.666 231 HB3 ARG 31 HB3 ARG 31 3.313 20.808 1.070 232 HG2 ARG 31 HG2 ARG 31 0.814 21.706 -0.310 233 HG3 ARG 31 HG3 ARG 31 1.283 20.006 -0.280 234 HD2 ARG 31 HD2 ARG 31 -0.029 20.112 1.596 235 HD3 ARG 31 HD3 ARG 31 1.555 20.455 2.290 236 HE ARG 31 HE ARG 31 0.198 22.834 1.499 237 HH11 ARG 31 HH11 ARG 31 0.392 20.419 4.000 238 HH12 ARG 31 HH12 ARG 31 -0.199 21.471 5.243 239 HH21 ARG 31 HH21 ARG 31 -0.582 24.229 3.127 240 HH22 ARG 31 HH22 ARG 31 -0.754 23.638 4.745 241 H GLY 32 H GLY 32 3.715 21.900 2.765 242 HA2 GLY 32 HA2 GLY 32 5.856 23.653 3.395 243 HA3 GLY 32 HA3 GLY 32 5.474 22.152 4.224 244 H ILE 33 H ILE 33 7.260 20.966 4.324 245 HA ILE 33 HA ILE 33 9.149 21.000 2.095 246 HB ILE 33 HB ILE 33 10.437 19.450 3.774 247 HG12 ILE 33 HG12 ILE 33 9.926 19.915 6.111 248 HG13 ILE 33 HG13 ILE 33 8.594 20.963 5.637 249 HG21 ILE 33 HG21 ILE 33 11.328 21.517 4.900 250 HG22 ILE 33 HG22 ILE 33 11.304 21.564 3.138 251 HG23 ILE 33 HG23 ILE 33 10.070 22.422 4.060 252 HD11 ILE 33 HD11 ILE 33 8.752 18.002 5.132 253 HD12 ILE 33 HD12 ILE 33 7.816 18.786 6.405 254 HD13 ILE 33 HD13 ILE 33 7.406 19.061 4.712 255 H LEU 34 H LEU 34 6.980 19.790 1.202 256 HA LEU 34 HA LEU 34 7.079 16.937 1.691 257 HB2 LEU 34 HB2 LEU 34 5.400 18.701 -0.064 258 HB3 LEU 34 HB3 LEU 34 5.333 16.943 -0.180 259 HG LEU 34 HG LEU 34 4.788 18.417 2.386 260 HD11 LEU 34 HD11 LEU 34 2.480 17.362 0.950 261 HD12 LEU 34 HD12 LEU 34 2.693 18.899 1.787 262 HD13 LEU 34 HD13 LEU 34 3.264 18.712 0.129 263 HD21 LEU 34 HD21 LEU 34 4.101 15.648 1.405 264 HD22 LEU 34 HD22 LEU 34 5.325 16.057 2.607 265 HD23 LEU 34 HD23 LEU 34 3.618 16.336 2.955 266 H TRP 35 H TRP 35 8.396 15.604 0.658 267 HA TRP 35 HA TRP 35 9.680 16.499 -1.815 268 HB2 TRP 35 HB2 TRP 35 10.369 14.517 0.310 269 HB3 TRP 35 HB3 TRP 35 11.011 14.265 -1.311 270 HD1 TRP 35 HD1 TRP 35 10.643 17.744 0.294 271 HE1 TRP 35 HE1 TRP 35 12.990 18.769 0.548 272 HE3 TRP 35 HE3 TRP 35 13.447 13.721 -1.151 273 HZ2 TRP 35 HZ2 TRP 35 15.675 17.978 0.182 274 HZ3 TRP 35 HZ3 TRP 35 15.898 13.938 -1.172 275 HH2 TRP 35 HH2 TRP 35 16.987 16.023 -0.519 276 H LYS 36 H LYS 36 9.225 15.642 -3.742 277 HA LYS 36 HA LYS 36 7.311 13.423 -3.840 278 HB2 LYS 36 HB2 LYS 36 8.034 15.632 -5.736 279 HB3 LYS 36 HB3 LYS 36 7.248 14.178 -6.338 280 HG2 LYS 36 HG2 LYS 36 5.646 14.791 -4.245 281 HG3 LYS 36 HG3 LYS 36 6.163 16.399 -4.759 282 HD2 LYS 36 HD2 LYS 36 5.462 14.721 -7.015 283 HD3 LYS 36 HD3 LYS 36 4.126 14.869 -5.871 284 HE2 LYS 36 HE2 LYS 36 5.418 17.414 -6.295 285 HE3 LYS 36 HE3 LYS 36 4.896 16.710 -7.825 286 HZ1 LYS 36 HZ1 LYS 36 3.306 17.680 -5.590 287 HZ2 LYS 36 HZ2 LYS 36 2.971 17.702 -7.248 288 HZ3 LYS 36 HZ3 LYS 36 2.737 16.283 -6.357 289 H CYS 37 H CYS 37 7.688 11.563 -5.003 290 HA CYS 37 HA CYS 37 10.400 10.749 -5.265 291 HB2 CYS 37 HB2 CYS 37 7.853 9.417 -6.211 292 HB3 CYS 37 HB3 CYS 37 9.439 8.652 -6.179 293 H THR 38 H THR 38 11.479 10.044 -7.180 294 HA THR 38 HA THR 38 10.415 10.983 -9.730 295 HB THR 38 HB THR 38 13.231 11.752 -9.040 296 HG1 THR 38 HG1 THR 38 11.043 13.523 -8.692 297 HG21 THR 38 HG21 THR 38 12.803 12.007 -11.325 298 HG22 THR 38 HG22 THR 38 11.162 12.592 -11.048 299 HG23 THR 38 HG23 THR 38 12.542 13.625 -10.674 300 H ARG 39 H ARG 39 11.140 9.843 -11.483 301 HA ARG 39 HA ARG 39 12.157 7.266 -11.085 302 HB2 ARG 39 HB2 ARG 39 11.162 8.794 -13.256 303 HB3 ARG 39 HB3 ARG 39 12.714 8.135 -13.756 304 HG2 ARG 39 HG2 ARG 39 11.643 5.934 -12.681 305 HG3 ARG 39 HG3 ARG 39 10.166 6.764 -13.177 306 HD2 ARG 39 HD2 ARG 39 12.346 6.717 -15.161 307 HD3 ARG 39 HD3 ARG 39 11.610 5.157 -14.793 308 HE ARG 39 HE ARG 39 9.640 5.873 -15.773 309 HH11 ARG 39 HH11 ARG 39 11.914 8.498 -15.544 310 HH12 ARG 39 HH12 ARG 39 11.014 9.542 -16.594 311 HH21 ARG 39 HH21 ARG 39 8.446 7.237 -17.157 312 HH22 ARG 39 HH22 ARG 39 9.041 8.824 -17.510 313 H ALA 40 H ALA 40 14.111 6.963 -10.192 314 HA ALA 40 HA ALA 40 16.335 8.623 -10.402 315 HB1 ALA 40 HB1 ALA 40 17.279 5.981 -10.077 316 HB2 ALA 40 HB2 ALA 40 17.026 7.211 -8.838 317 HB3 ALA 40 HB3 ALA 40 15.728 6.089 -9.245 318 H ARG 41 H ARG 41 18.523 7.584 -11.276 319 HA ARG 41 HA ARG 41 18.283 6.251 -13.813 320 HB2 ARG 41 HB2 ARG 41 17.713 8.680 -14.279 321 HB3 ARG 41 HB3 ARG 41 19.373 9.064 -13.843 322 HG2 ARG 41 HG2 ARG 41 18.795 7.025 -15.951 323 HG3 ARG 41 HG3 ARG 41 18.759 8.748 -16.328 324 HD2 ARG 41 HD2 ARG 41 21.080 8.785 -15.163 325 HD3 ARG 41 HD3 ARG 41 21.059 7.046 -15.454 326 HE ARG 41 HE ARG 41 20.450 8.538 -17.809 327 HH11 ARG 41 HH11 ARG 41 23.055 7.438 -15.777 328 HH12 ARG 41 HH12 ARG 41 24.231 7.465 -17.049 329 HH21 ARG 41 HH21 ARG 41 21.990 8.577 -19.491 330 HH22 ARG 41 HH22 ARG 41 23.625 8.114 -19.161 331 H LYS 42 H LYS 42 19.807 4.777 -13.341 332 HA LYS 42 HA LYS 42 22.222 5.423 -11.944 333 HB2 LYS 42 HB2 LYS 42 20.975 3.180 -11.962 334 HB3 LYS 42 HB3 LYS 42 21.733 2.907 -13.526 335 HG2 LYS 42 HG2 LYS 42 23.923 3.494 -12.182 336 HG3 LYS 42 HG3 LYS 42 22.939 2.969 -10.813 337 HD2 LYS 42 HD2 LYS 42 23.319 1.337 -13.318 338 HD3 LYS 42 HD3 LYS 42 24.330 1.170 -11.881 339 HE2 LYS 42 HE2 LYS 42 21.332 0.860 -11.897 340 HE3 LYS 42 HE3 LYS 42 22.467 -0.482 -12.025 341 HZ1 LYS 42 HZ1 LYS 42 21.737 1.111 -9.714 342 HZ2 LYS 42 HZ2 LYS 42 22.241 -0.501 -9.803 343 HZ3 LYS 42 HZ3 LYS 42 23.383 0.746 -9.848 Start of MODEL 6 1 H1 GLY 1 H GLY 1 2.106 -0.248 -3.332 2 HA2 GLY 1 HA2 GLY 1 2.570 -0.678 -0.542 3 HA3 GLY 1 HA3 GLY 1 3.780 -1.479 -1.532 4 H CYS 2 H CYS 2 5.400 -0.306 -2.431 5 HA CYS 2 HA CYS 2 6.170 2.107 -1.350 6 HB2 CYS 2 HB2 CYS 2 7.624 2.312 -3.447 7 HB3 CYS 2 HB3 CYS 2 7.827 0.860 -2.473 8 H LYS 3 H LYS 3 6.558 4.175 -2.627 9 HA LYS 3 HA LYS 3 3.999 5.142 -3.531 10 HB2 LYS 3 HB2 LYS 3 6.574 6.699 -3.577 11 HB3 LYS 3 HB3 LYS 3 4.933 7.308 -3.410 12 HG2 LYS 3 HG2 LYS 3 6.327 5.621 -1.344 13 HG3 LYS 3 HG3 LYS 3 6.269 7.385 -1.320 14 HD2 LYS 3 HD2 LYS 3 4.479 6.913 0.024 15 HD3 LYS 3 HD3 LYS 3 3.674 6.957 -1.546 16 HE2 LYS 3 HE2 LYS 3 3.330 4.709 -1.584 17 HE3 LYS 3 HE3 LYS 3 4.803 4.359 -0.679 18 HZ1 LYS 3 HZ1 LYS 3 2.835 3.856 0.620 19 HZ2 LYS 3 HZ2 LYS 3 3.701 5.122 1.334 20 HZ3 LYS 3 HZ3 LYS 3 2.287 5.450 0.464 21 H LYS 4 H LYS 4 3.658 6.261 -5.540 22 HA LYS 4 HA LYS 4 5.072 4.970 -7.744 23 HB2 LYS 4 HB2 LYS 4 2.677 6.782 -7.981 24 HB3 LYS 4 HB3 LYS 4 3.231 5.556 -9.115 25 HG2 LYS 4 HG2 LYS 4 2.744 3.888 -7.216 26 HG3 LYS 4 HG3 LYS 4 1.801 5.203 -6.511 27 HD2 LYS 4 HD2 LYS 4 0.755 5.328 -8.911 28 HD3 LYS 4 HD3 LYS 4 1.339 3.667 -9.030 29 HE2 LYS 4 HE2 LYS 4 -0.871 3.496 -8.244 30 HE3 LYS 4 HE3 LYS 4 0.147 3.250 -6.827 31 HZ1 LYS 4 HZ1 LYS 4 -0.870 5.939 -7.475 32 HZ2 LYS 4 HZ2 LYS 4 -1.857 4.830 -6.663 33 HZ3 LYS 4 HZ3 LYS 4 -0.388 5.314 -5.979 34 H LEU 5 H LEU 5 4.969 6.609 -9.801 35 HA LEU 5 HA LEU 5 7.063 8.428 -9.378 36 HB2 LEU 5 HB2 LEU 5 6.615 7.412 -11.541 37 HB3 LEU 5 HB3 LEU 5 5.078 8.270 -11.641 38 HG LEU 5 HG LEU 5 6.705 10.374 -11.418 39 HD11 LEU 5 HD11 LEU 5 8.426 8.108 -12.170 40 HD12 LEU 5 HD12 LEU 5 8.592 9.556 -13.162 41 HD13 LEU 5 HD13 LEU 5 8.835 9.650 -11.418 42 HD21 LEU 5 HD21 LEU 5 5.125 9.313 -13.351 43 HD22 LEU 5 HD22 LEU 5 6.055 10.801 -13.526 44 HD23 LEU 5 HD23 LEU 5 6.700 9.280 -14.144 45 H ASN 6 H ASN 6 7.133 10.549 -8.898 46 HA ASN 6 HA ASN 6 6.471 12.638 -8.285 47 HB2 ASN 6 HB2 ASN 6 3.846 12.107 -9.674 48 HB3 ASN 6 HB3 ASN 6 4.634 13.658 -9.400 49 HD21 ASN 6 HD21 ASN 6 7.170 13.211 -10.209 50 HD22 ASN 6 HD22 ASN 6 7.206 12.831 -11.894 51 H SER 7 H SER 7 5.762 10.168 -6.746 52 HA SER 7 HA SER 7 3.300 10.870 -5.390 53 HB2 SER 7 HB2 SER 7 5.309 8.650 -4.978 54 HB3 SER 7 HB3 SER 7 3.896 8.876 -3.947 55 HG SER 7 HG SER 7 3.489 8.807 -6.705 56 H TYR 8 H TYR 8 3.106 11.677 -3.337 57 HA TYR 8 HA TYR 8 5.184 13.342 -2.385 58 HB2 TYR 8 HB2 TYR 8 2.509 12.511 -1.304 59 HB3 TYR 8 HB3 TYR 8 3.614 13.458 -0.314 60 HD1 TYR 8 HD1 TYR 8 0.876 13.728 -2.367 61 HD2 TYR 8 HD2 TYR 8 4.692 15.515 -1.777 62 HE1 TYR 8 HE1 TYR 8 0.075 15.784 -3.455 63 HE2 TYR 8 HE2 TYR 8 3.902 17.576 -2.861 64 HH TYR 8 HH TYR 8 0.560 17.872 -4.029 65 H CYS 9 H CYS 9 6.660 13.086 -0.790 66 HA CYS 9 HA CYS 9 6.550 11.010 1.155 67 HB2 CYS 9 HB2 CYS 9 8.481 9.706 0.412 68 HB3 CYS 9 HB3 CYS 9 7.196 9.649 -0.790 69 H THR 10 H THR 10 9.121 10.753 1.917 70 HA THR 10 HA THR 10 10.202 13.476 2.124 71 HB THR 10 HB THR 10 10.648 13.127 4.536 72 HG1 THR 10 HG1 THR 10 9.475 11.396 5.560 73 HG21 THR 10 HG21 THR 10 8.217 13.284 5.273 74 HG22 THR 10 HG22 THR 10 8.748 14.452 4.063 75 HG23 THR 10 HG23 THR 10 7.795 13.050 3.576 76 H ARG 11 H ARG 11 12.440 13.592 2.642 77 HA ARG 11 HA ARG 11 13.964 11.431 1.534 78 HB2 ARG 11 HB2 ARG 11 14.431 13.960 1.352 79 HB3 ARG 11 HB3 ARG 11 15.125 13.810 2.961 80 HG2 ARG 11 HG2 ARG 11 16.526 11.901 1.901 81 HG3 ARG 11 HG3 ARG 11 16.083 12.670 0.375 82 HD2 ARG 11 HD2 ARG 11 17.544 14.322 0.689 83 HD3 ARG 11 HD3 ARG 11 16.964 14.611 2.329 84 HE ARG 11 HE ARG 11 19.311 13.189 1.576 85 HH11 ARG 11 HH11 ARG 11 16.768 13.312 3.950 86 HH12 ARG 11 HH12 ARG 11 17.721 12.581 5.199 87 HH21 ARG 11 HH21 ARG 11 20.575 12.225 3.212 88 HH22 ARG 11 HH22 ARG 11 19.887 11.964 4.778 89 H GLN 12 H GLN 12 12.652 11.866 4.515 90 HA GLN 12 HA GLN 12 14.874 10.867 6.083 91 HB2 GLN 12 HB2 GLN 12 12.029 11.608 6.726 92 HB3 GLN 12 HB3 GLN 12 13.057 10.798 7.901 93 HG2 GLN 12 HG2 GLN 12 13.571 13.469 6.614 94 HG3 GLN 12 HG3 GLN 12 13.064 13.180 8.277 95 HE21 GLN 12 HE21 GLN 12 15.670 13.560 6.185 96 HE22 GLN 12 HE22 GLN 12 16.935 13.114 7.273 97 H HIS 13 H HIS 13 12.099 9.627 4.429 98 HA HIS 13 HA HIS 13 12.911 6.915 5.128 99 HB2 HIS 13 HB2 HIS 13 10.187 8.077 5.673 100 HB3 HIS 13 HB3 HIS 13 10.419 6.347 5.436 101 HD1 HIS 13 HD1 HIS 13 11.047 5.038 7.454 102 HD2 HIS 13 HD2 HIS 13 11.749 9.103 7.944 103 HE1 HIS 13 HE1 HIS 13 11.739 5.316 9.855 104 H ARG 14 H ARG 14 13.506 6.404 3.080 105 HA ARG 14 HA ARG 14 12.213 7.196 0.729 106 HB2 ARG 14 HB2 ARG 14 13.863 4.707 1.201 107 HB3 ARG 14 HB3 ARG 14 13.482 5.404 -0.367 108 HG2 ARG 14 HG2 ARG 14 14.663 7.499 0.440 109 HG3 ARG 14 HG3 ARG 14 15.257 6.517 1.781 110 HD2 ARG 14 HD2 ARG 14 16.564 5.199 0.411 111 HD3 ARG 14 HD3 ARG 14 15.587 5.535 -1.018 112 HE ARG 14 HE ARG 14 16.977 7.833 0.014 113 HH11 ARG 14 HH11 ARG 14 17.171 5.061 -2.084 114 HH12 ARG 14 HH12 ARG 14 18.412 5.741 -3.083 115 HH21 ARG 14 HH21 ARG 14 18.611 8.738 -1.295 116 HH22 ARG 14 HH22 ARG 14 19.231 7.832 -2.633 117 H GLU 15 H GLU 15 10.131 6.815 0.320 118 HA GLU 15 HA GLU 15 9.052 4.140 0.911 119 HB2 GLU 15 HB2 GLU 15 8.000 6.219 1.971 120 HB3 GLU 15 HB3 GLU 15 7.417 6.609 0.359 121 HG2 GLU 15 HG2 GLU 15 5.612 5.505 1.208 122 HG3 GLU 15 HG3 GLU 15 6.471 4.174 0.435 123 H CYS 16 H CYS 16 9.805 6.379 -1.581 124 HA CYS 16 HA CYS 16 8.037 5.556 -3.595 125 HB2 CYS 16 HB2 CYS 16 10.872 6.439 -4.106 126 HB3 CYS 16 HB3 CYS 16 9.454 6.687 -5.119 127 H CYS 17 H CYS 17 8.274 4.102 -5.315 128 HA CYS 17 HA CYS 17 9.312 1.591 -4.687 129 HB2 CYS 17 HB2 CYS 17 8.498 2.830 -7.313 130 HB3 CYS 17 HB3 CYS 17 9.033 1.156 -7.190 131 H HIS 18 H HIS 18 11.012 0.382 -5.781 132 HA HIS 18 HA HIS 18 13.517 1.493 -5.546 133 HB2 HIS 18 HB2 HIS 18 14.245 -0.406 -7.109 134 HB3 HIS 18 HB3 HIS 18 13.407 -0.858 -5.627 135 HD1 HIS 18 HD1 HIS 18 10.852 -1.558 -5.913 136 HD2 HIS 18 HD2 HIS 18 13.039 -1.230 -9.430 137 HE1 HIS 18 HE1 HIS 18 9.496 -2.752 -7.661 138 H GLY 19 H GLY 19 11.664 1.038 -8.558 139 HA2 GLY 19 HA2 GLY 19 13.528 2.161 -10.308 140 HA3 GLY 19 HA3 GLY 19 11.793 2.107 -10.584 141 H LEU 20 H LEU 20 11.428 3.695 -8.029 142 HA LEU 20 HA LEU 20 11.975 6.318 -9.237 143 HB2 LEU 20 HB2 LEU 20 10.014 5.727 -7.036 144 HB3 LEU 20 HB3 LEU 20 10.115 7.173 -8.038 145 HG LEU 20 HG LEU 20 9.446 4.495 -9.218 146 HD11 LEU 20 HD11 LEU 20 7.040 5.408 -9.066 147 HD12 LEU 20 HD12 LEU 20 7.747 4.637 -7.645 148 HD13 LEU 20 HD13 LEU 20 7.664 6.396 -7.745 149 HD21 LEU 20 HD21 LEU 20 9.411 5.674 -11.096 150 HD22 LEU 20 HD22 LEU 20 8.119 6.673 -10.431 151 HD23 LEU 20 HD23 LEU 20 9.803 7.146 -10.207 152 H VAL 21 H VAL 21 12.143 8.114 -7.510 153 HA VAL 21 HA VAL 21 13.586 7.246 -5.124 154 HB VAL 21 HB VAL 21 15.371 8.974 -5.586 155 HG11 VAL 21 HG11 VAL 21 15.983 6.698 -5.744 156 HG12 VAL 21 HG12 VAL 21 15.124 6.494 -7.271 157 HG13 VAL 21 HG13 VAL 21 16.596 7.464 -7.209 158 HG21 VAL 21 HG21 VAL 21 13.810 9.806 -7.599 159 HG22 VAL 21 HG22 VAL 21 15.557 10.049 -7.572 160 HG23 VAL 21 HG23 VAL 21 14.867 8.709 -8.487 161 H CYS 22 H CYS 22 13.261 8.543 -3.399 162 HA CYS 22 HA CYS 22 11.274 10.589 -3.585 163 HB2 CYS 22 HB2 CYS 22 11.671 8.988 -1.628 164 HB3 CYS 22 HB3 CYS 22 13.012 10.038 -1.184 165 H ARG 23 H ARG 23 11.847 12.428 -4.590 166 HA ARG 23 HA ARG 23 14.235 13.829 -3.582 167 HB2 ARG 23 HB2 ARG 23 13.967 12.900 -6.133 168 HB3 ARG 23 HB3 ARG 23 13.334 14.533 -6.295 169 HG2 ARG 23 HG2 ARG 23 15.350 15.511 -5.845 170 HG3 ARG 23 HG3 ARG 23 15.919 14.149 -4.879 171 HD2 ARG 23 HD2 ARG 23 17.180 14.137 -6.887 172 HD3 ARG 23 HD3 ARG 23 16.017 12.818 -7.010 173 HE ARG 23 HE ARG 23 15.113 13.862 -8.823 174 HH11 ARG 23 HH11 ARG 23 16.902 16.205 -6.970 175 HH12 ARG 23 HH12 ARG 23 16.684 17.478 -8.124 176 HH21 ARG 23 HH21 ARG 23 14.819 15.530 -10.351 177 HH22 ARG 23 HH22 ARG 23 15.499 17.093 -10.047 178 H ARG 24 H ARG 24 14.010 16.272 -4.483 179 HA ARG 24 HA ARG 24 12.166 17.549 -2.903 180 HB2 ARG 24 HB2 ARG 24 13.929 18.306 -5.099 181 HB3 ARG 24 HB3 ARG 24 12.481 19.301 -5.026 182 HG2 ARG 24 HG2 ARG 24 13.413 20.497 -3.419 183 HG3 ARG 24 HG3 ARG 24 13.438 19.065 -2.388 184 HD2 ARG 24 HD2 ARG 24 15.661 20.130 -2.657 185 HD3 ARG 24 HD3 ARG 24 15.615 18.452 -3.197 186 HE ARG 24 HE ARG 24 16.144 19.171 -5.296 187 HH11 ARG 24 HH11 ARG 24 14.868 21.858 -3.487 188 HH12 ARG 24 HH12 ARG 24 15.195 23.019 -4.731 189 HH21 ARG 24 HH21 ARG 24 16.580 20.689 -6.941 190 HH22 ARG 24 HH22 ARG 24 16.168 22.353 -6.696 191 HA PRO 25 HA PRO 25 8.221 17.485 -4.820 192 HB2 PRO 25 HB2 PRO 25 7.368 20.054 -4.618 193 HB3 PRO 25 HB3 PRO 25 7.496 18.972 -3.226 194 HG2 PRO 25 HG2 PRO 25 9.391 21.095 -4.156 195 HG3 PRO 25 HG3 PRO 25 8.854 20.719 -2.509 196 HD2 PRO 25 HD2 PRO 25 11.246 19.906 -3.483 197 HD3 PRO 25 HD3 PRO 25 10.326 18.959 -2.296 198 H ASP 26 H ASP 26 6.783 18.776 -6.450 199 HA ASP 26 HA ASP 26 8.357 19.057 -8.867 200 HB2 ASP 26 HB2 ASP 26 6.260 19.019 -10.043 201 HB3 ASP 26 HB3 ASP 26 6.207 17.772 -8.800 202 H TYR 27 H TYR 27 6.274 21.056 -6.831 203 HA TYR 27 HA TYR 27 7.505 23.437 -7.993 204 HB2 TYR 27 HB2 TYR 27 4.531 22.927 -7.885 205 HB3 TYR 27 HB3 TYR 27 5.223 24.533 -8.082 206 HD1 TYR 27 HD1 TYR 27 3.643 22.150 -9.861 207 HD2 TYR 27 HD2 TYR 27 7.306 24.313 -9.977 208 HE1 TYR 27 HE1 TYR 27 3.774 21.787 -12.290 209 HE2 TYR 27 HE2 TYR 27 7.446 23.957 -12.406 210 HH TYR 27 HH TYR 27 5.175 21.878 -14.092 211 H GLY 28 H GLY 28 7.791 22.077 -5.453 212 HA2 GLY 28 HA2 GLY 28 6.313 23.304 -3.397 213 HA3 GLY 28 HA3 GLY 28 7.896 22.563 -3.213 214 H ILE 29 H ILE 29 6.137 25.492 -3.432 215 HA ILE 29 HA ILE 29 8.563 26.985 -2.807 216 HB ILE 29 HB ILE 29 6.671 27.940 -4.956 217 HG12 ILE 29 HG12 ILE 29 9.456 26.785 -5.223 218 HG13 ILE 29 HG13 ILE 29 7.966 26.005 -5.740 219 HG21 ILE 29 HG21 ILE 29 9.314 29.013 -3.977 220 HG22 ILE 29 HG22 ILE 29 8.385 29.656 -5.332 221 HG23 ILE 29 HG23 ILE 29 7.727 29.730 -3.697 222 HD11 ILE 29 HD11 ILE 29 7.754 28.294 -7.101 223 HD12 ILE 29 HD12 ILE 29 9.510 28.172 -7.000 224 HD13 ILE 29 HD13 ILE 29 8.576 26.865 -7.727 225 H GLY 30 H GLY 30 7.491 26.928 -0.709 226 HA2 GLY 30 HA2 GLY 30 6.598 29.005 0.476 227 HA3 GLY 30 HA3 GLY 30 5.180 28.751 -0.531 228 H ARG 31 H ARG 31 5.298 25.846 -0.331 229 HA ARG 31 HA ARG 31 3.936 25.598 2.212 230 HB2 ARG 31 HB2 ARG 31 3.509 24.483 -0.242 231 HB3 ARG 31 HB3 ARG 31 4.333 23.172 0.592 232 HG2 ARG 31 HG2 ARG 31 2.561 22.714 1.867 233 HG3 ARG 31 HG3 ARG 31 2.225 24.419 2.177 234 HD2 ARG 31 HD2 ARG 31 0.397 23.335 0.955 235 HD3 ARG 31 HD3 ARG 31 1.145 24.623 0.012 236 HE ARG 31 HE ARG 31 2.465 22.418 -0.818 237 HH11 ARG 31 HH11 ARG 31 -0.915 23.199 -0.518 238 HH12 ARG 31 HH12 ARG 31 -1.400 22.182 -1.835 239 HH21 ARG 31 HH21 ARG 31 1.838 21.076 -2.553 240 HH22 ARG 31 HH22 ARG 31 0.167 20.975 -2.991 241 H GLY 32 H GLY 32 4.379 23.020 2.965 242 HA2 GLY 32 HA2 GLY 32 6.748 23.207 4.469 243 HA3 GLY 32 HA3 GLY 32 5.781 21.754 4.268 244 H ILE 33 H ILE 33 8.116 20.939 4.436 245 HA ILE 33 HA ILE 33 9.555 21.096 1.901 246 HB ILE 33 HB ILE 33 10.394 19.561 4.354 247 HG12 ILE 33 HG12 ILE 33 11.922 21.794 4.432 248 HG13 ILE 33 HG13 ILE 33 10.424 22.469 3.800 249 HG21 ILE 33 HG21 ILE 33 11.673 20.368 1.794 250 HG22 ILE 33 HG22 ILE 33 12.675 20.282 3.243 251 HG23 ILE 33 HG23 ILE 33 11.796 18.855 2.694 252 HD11 ILE 33 HD11 ILE 33 11.003 22.157 6.426 253 HD12 ILE 33 HD12 ILE 33 9.374 22.276 5.761 254 HD13 ILE 33 HD13 ILE 33 10.075 20.693 6.097 255 H LEU 34 H LEU 34 7.349 19.882 1.267 256 HA LEU 34 HA LEU 34 7.434 17.034 1.698 257 HB2 LEU 34 HB2 LEU 34 5.740 18.735 -0.124 258 HB3 LEU 34 HB3 LEU 34 5.535 16.999 0.102 259 HG LEU 34 HG LEU 34 5.382 18.818 2.467 260 HD11 LEU 34 HD11 LEU 34 2.884 18.879 2.026 261 HD12 LEU 34 HD12 LEU 34 3.889 19.944 1.043 262 HD13 LEU 34 HD13 LEU 34 3.272 18.438 0.363 263 HD21 LEU 34 HD21 LEU 34 3.948 16.264 1.748 264 HD22 LEU 34 HD22 LEU 34 5.408 16.363 2.733 265 HD23 LEU 34 HD23 LEU 34 3.909 17.097 3.302 266 H TRP 35 H TRP 35 8.694 15.688 0.614 267 HA TRP 35 HA TRP 35 9.839 16.536 -1.939 268 HB2 TRP 35 HB2 TRP 35 10.604 14.546 0.152 269 HB3 TRP 35 HB3 TRP 35 11.145 14.273 -1.502 270 HD1 TRP 35 HD1 TRP 35 10.946 17.790 0.026 271 HE1 TRP 35 HE1 TRP 35 13.329 18.752 0.169 272 HE3 TRP 35 HE3 TRP 35 13.581 13.638 -1.372 273 HZ2 TRP 35 HZ2 TRP 35 15.976 17.867 -0.256 274 HZ3 TRP 35 HZ3 TRP 35 16.035 13.780 -1.479 275 HH2 TRP 35 HH2 TRP 35 17.206 15.852 -0.933 276 H LYS 36 H LYS 36 9.175 15.739 -3.822 277 HA LYS 36 HA LYS 36 7.256 13.524 -3.797 278 HB2 LYS 36 HB2 LYS 36 7.830 15.767 -5.700 279 HB3 LYS 36 HB3 LYS 36 7.019 14.319 -6.281 280 HG2 LYS 36 HG2 LYS 36 5.556 14.865 -4.071 281 HG3 LYS 36 HG3 LYS 36 6.024 16.490 -4.578 282 HD2 LYS 36 HD2 LYS 36 5.040 14.632 -6.672 283 HD3 LYS 36 HD3 LYS 36 3.857 15.266 -5.526 284 HE2 LYS 36 HE2 LYS 36 4.277 17.488 -6.157 285 HE3 LYS 36 HE3 LYS 36 5.785 17.062 -6.966 286 HZ1 LYS 36 HZ1 LYS 36 4.709 16.398 -8.821 287 HZ2 LYS 36 HZ2 LYS 36 3.357 15.818 -7.986 288 HZ3 LYS 36 HZ3 LYS 36 3.527 17.477 -8.270 289 H CYS 37 H CYS 37 7.515 11.688 -5.042 290 HA CYS 37 HA CYS 37 10.159 10.788 -5.457 291 HB2 CYS 37 HB2 CYS 37 7.611 9.612 -6.585 292 HB3 CYS 37 HB3 CYS 37 9.148 8.780 -6.376 293 H THR 38 H THR 38 11.193 10.184 -7.425 294 HA THR 38 HA THR 38 10.148 11.337 -9.894 295 HB THR 38 HB THR 38 12.995 11.952 -9.170 296 HG1 THR 38 HG1 THR 38 12.347 13.855 -8.223 297 HG21 THR 38 HG21 THR 38 10.965 12.975 -11.128 298 HG22 THR 38 HG22 THR 38 12.364 13.951 -10.682 299 HG23 THR 38 HG23 THR 38 12.594 12.371 -11.430 300 H ARG 39 H ARG 39 10.834 10.306 -11.733 301 HA ARG 39 HA ARG 39 11.783 7.670 -11.498 302 HB2 ARG 39 HB2 ARG 39 10.732 9.323 -13.545 303 HB3 ARG 39 HB3 ARG 39 12.252 8.671 -14.141 304 HG2 ARG 39 HG2 ARG 39 11.043 6.477 -13.014 305 HG3 ARG 39 HG3 ARG 39 9.692 7.361 -13.726 306 HD2 ARG 39 HD2 ARG 39 11.405 7.542 -15.755 307 HD3 ARG 39 HD3 ARG 39 12.016 6.057 -15.027 308 HE ARG 39 HE ARG 39 9.583 6.380 -16.489 309 HH11 ARG 39 HH11 ARG 39 11.124 4.565 -13.950 310 HH12 ARG 39 HH12 ARG 39 10.113 3.173 -14.153 311 HH21 ARG 39 HH21 ARG 39 8.245 4.554 -16.767 312 HH22 ARG 39 HH22 ARG 39 8.476 3.167 -15.756 313 H ALA 40 H ALA 40 13.753 7.528 -10.487 314 HA ALA 40 HA ALA 40 16.063 7.968 -12.115 315 HB1 ALA 40 HB1 ALA 40 16.491 10.056 -11.442 316 HB2 ALA 40 HB2 ALA 40 15.353 9.955 -10.098 317 HB3 ALA 40 HB3 ALA 40 16.988 9.318 -9.919 318 H ARG 41 H ARG 41 18.105 7.365 -10.862 319 HA ARG 41 HA ARG 41 17.671 5.657 -8.560 320 HB2 ARG 41 HB2 ARG 41 17.173 4.224 -10.550 321 HB3 ARG 41 HB3 ARG 41 18.820 4.496 -11.102 322 HG2 ARG 41 HG2 ARG 41 18.963 2.447 -10.051 323 HG3 ARG 41 HG3 ARG 41 19.501 3.562 -8.794 324 HD2 ARG 41 HD2 ARG 41 17.452 3.427 -7.649 325 HD3 ARG 41 HD3 ARG 41 16.636 2.697 -9.030 326 HE ARG 41 HE ARG 41 18.115 1.343 -7.004 327 HH11 ARG 41 HH11 ARG 41 17.239 1.243 -10.372 328 HH12 ARG 41 HH12 ARG 41 17.410 -0.476 -10.500 329 HH21 ARG 41 HH21 ARG 41 18.344 -0.921 -7.160 330 HH22 ARG 41 HH22 ARG 41 18.038 -1.706 -8.672 331 H LYS 42 H LYS 42 19.150 6.618 -7.295 332 HA LYS 42 HA LYS 42 21.944 6.452 -8.120 333 HB2 LYS 42 HB2 LYS 42 20.516 8.891 -8.121 334 HB3 LYS 42 HB3 LYS 42 21.570 8.929 -6.714 335 HG2 LYS 42 HG2 LYS 42 22.397 8.485 -9.574 336 HG3 LYS 42 HG3 LYS 42 22.695 9.920 -8.591 337 HD2 LYS 42 HD2 LYS 42 23.816 7.154 -8.152 338 HD3 LYS 42 HD3 LYS 42 24.703 8.587 -8.676 339 HE2 LYS 42 HE2 LYS 42 23.377 8.150 -6.003 340 HE3 LYS 42 HE3 LYS 42 25.108 8.200 -6.328 341 HZ1 LYS 42 HZ1 LYS 42 24.048 10.559 -7.319 342 HZ2 LYS 42 HZ2 LYS 42 23.345 10.340 -5.795 343 HZ3 LYS 42 HZ3 LYS 42 25.030 10.367 -5.954 Start of MODEL 7 1 H1 GLY 1 H GLY 1 1.626 -0.978 -3.600 2 HA2 GLY 1 HA2 GLY 1 1.951 -0.820 -1.224 3 HA3 GLY 1 HA3 GLY 1 3.457 -1.706 -1.412 4 H CYS 2 H CYS 2 5.171 -0.568 -2.705 5 HA CYS 2 HA CYS 2 5.904 1.809 -1.521 6 HB2 CYS 2 HB2 CYS 2 7.440 2.078 -3.540 7 HB3 CYS 2 HB3 CYS 2 7.589 0.577 -2.633 8 H LYS 3 H LYS 3 6.331 3.917 -2.713 9 HA LYS 3 HA LYS 3 3.804 4.914 -3.672 10 HB2 LYS 3 HB2 LYS 3 6.396 6.446 -3.557 11 HB3 LYS 3 HB3 LYS 3 4.757 7.080 -3.489 12 HG2 LYS 3 HG2 LYS 3 5.376 5.191 -1.350 13 HG3 LYS 3 HG3 LYS 3 6.379 6.644 -1.340 14 HD2 LYS 3 HD2 LYS 3 4.598 7.358 -0.084 15 HD3 LYS 3 HD3 LYS 3 4.069 7.848 -1.695 16 HE2 LYS 3 HE2 LYS 3 2.585 6.039 -1.875 17 HE3 LYS 3 HE3 LYS 3 3.342 5.174 -0.538 18 HZ1 LYS 3 HZ1 LYS 3 1.198 7.004 -0.467 19 HZ2 LYS 3 HZ2 LYS 3 1.841 6.076 0.793 20 HZ3 LYS 3 HZ3 LYS 3 2.473 7.610 0.466 21 H LYS 4 H LYS 4 3.597 6.191 -5.643 22 HA LYS 4 HA LYS 4 5.010 4.908 -7.853 23 HB2 LYS 4 HB2 LYS 4 2.727 6.858 -8.092 24 HB3 LYS 4 HB3 LYS 4 3.252 5.648 -9.256 25 HG2 LYS 4 HG2 LYS 4 2.609 3.936 -7.448 26 HG3 LYS 4 HG3 LYS 4 1.721 5.272 -6.713 27 HD2 LYS 4 HD2 LYS 4 1.357 4.572 -9.607 28 HD3 LYS 4 HD3 LYS 4 0.472 3.715 -8.343 29 HE2 LYS 4 HE2 LYS 4 -0.481 5.805 -7.561 30 HE3 LYS 4 HE3 LYS 4 0.460 6.704 -8.750 31 HZ1 LYS 4 HZ1 LYS 4 -1.784 6.406 -9.526 32 HZ2 LYS 4 HZ2 LYS 4 -0.736 5.506 -10.504 33 HZ3 LYS 4 HZ3 LYS 4 -1.679 4.728 -9.334 34 H LEU 5 H LEU 5 5.060 6.634 -9.842 35 HA LEU 5 HA LEU 5 7.235 8.318 -9.276 36 HB2 LEU 5 HB2 LEU 5 6.886 7.450 -11.488 37 HB3 LEU 5 HB3 LEU 5 5.329 8.267 -11.608 38 HG LEU 5 HG LEU 5 6.891 10.406 -11.258 39 HD11 LEU 5 HD11 LEU 5 8.881 9.852 -12.879 40 HD12 LEU 5 HD12 LEU 5 9.020 9.576 -11.142 41 HD13 LEU 5 HD13 LEU 5 8.674 8.227 -12.225 42 HD21 LEU 5 HD21 LEU 5 5.342 10.106 -13.089 43 HD22 LEU 5 HD22 LEU 5 6.903 10.637 -13.714 44 HD23 LEU 5 HD23 LEU 5 6.426 8.945 -13.856 45 H ASN 6 H ASN 6 7.413 10.475 -8.876 46 HA ASN 6 HA ASN 6 6.835 12.556 -8.164 47 HB2 ASN 6 HB2 ASN 6 4.524 11.943 -9.996 48 HB3 ASN 6 HB3 ASN 6 4.632 13.471 -9.128 49 HD21 ASN 6 HD21 ASN 6 5.366 11.913 -11.941 50 HD22 ASN 6 HD22 ASN 6 6.595 12.971 -12.537 51 H SER 7 H SER 7 5.979 10.101 -6.696 52 HA SER 7 HA SER 7 3.492 10.813 -5.420 53 HB2 SER 7 HB2 SER 7 5.506 8.613 -4.993 54 HB3 SER 7 HB3 SER 7 4.160 8.862 -3.881 55 HG SER 7 HG SER 7 2.841 8.783 -5.908 56 H TYR 8 H TYR 8 3.202 11.690 -3.416 57 HA TYR 8 HA TYR 8 5.219 13.387 -2.403 58 HB2 TYR 8 HB2 TYR 8 2.507 12.549 -1.426 59 HB3 TYR 8 HB3 TYR 8 3.558 13.523 -0.404 60 HD1 TYR 8 HD1 TYR 8 0.878 13.774 -2.487 61 HD2 TYR 8 HD2 TYR 8 4.719 15.524 -1.947 62 HE1 TYR 8 HE1 TYR 8 0.110 15.804 -3.644 63 HE2 TYR 8 HE2 TYR 8 3.961 17.559 -3.101 64 HH TYR 8 HH TYR 8 2.265 18.596 -4.082 65 H CYS 9 H CYS 9 6.637 13.176 -0.753 66 HA CYS 9 HA CYS 9 6.463 11.139 1.231 67 HB2 CYS 9 HB2 CYS 9 8.392 9.812 0.604 68 HB3 CYS 9 HB3 CYS 9 7.216 9.783 -0.706 69 H THR 10 H THR 10 8.953 10.938 2.165 70 HA THR 10 HA THR 10 10.001 13.679 2.352 71 HB THR 10 HB THR 10 10.407 13.239 4.814 72 HG1 THR 10 HG1 THR 10 8.441 11.216 4.395 73 HG21 THR 10 HG21 THR 10 7.839 13.516 5.326 74 HG22 THR 10 HG22 THR 10 8.736 14.788 4.497 75 HG23 THR 10 HG23 THR 10 7.729 13.673 3.573 76 H ARG 11 H ARG 11 12.209 13.862 2.769 77 HA ARG 11 HA ARG 11 13.821 11.743 1.791 78 HB2 ARG 11 HB2 ARG 11 14.292 14.240 1.642 79 HB3 ARG 11 HB3 ARG 11 14.809 14.147 3.321 80 HG2 ARG 11 HG2 ARG 11 16.400 12.300 2.517 81 HG3 ARG 11 HG3 ARG 11 16.063 12.917 0.899 82 HD2 ARG 11 HD2 ARG 11 17.721 14.365 1.271 83 HD3 ARG 11 HD3 ARG 11 16.590 15.201 2.334 84 HE ARG 11 HE ARG 11 17.870 13.154 3.771 85 HH11 ARG 11 HH11 ARG 11 18.543 16.246 2.320 86 HH12 ARG 11 HH12 ARG 11 19.816 16.636 3.429 87 HH21 ARG 11 HH21 ARG 11 19.545 13.655 5.237 88 HH22 ARG 11 HH22 ARG 11 20.386 15.161 5.087 89 H GLN 12 H GLN 12 12.506 12.342 4.833 90 HA GLN 12 HA GLN 12 14.638 11.135 6.367 91 HB2 GLN 12 HB2 GLN 12 11.883 12.137 7.045 92 HB3 GLN 12 HB3 GLN 12 12.850 11.245 8.212 93 HG2 GLN 12 HG2 GLN 12 13.878 13.703 6.837 94 HG3 GLN 12 HG3 GLN 12 12.929 13.778 8.320 95 HE21 GLN 12 HE21 GLN 12 15.372 14.832 8.399 96 HE22 GLN 12 HE22 GLN 12 16.460 13.830 9.291 97 H HIS 13 H HIS 13 11.569 10.190 4.970 98 HA HIS 13 HA HIS 13 12.201 7.399 5.595 99 HB2 HIS 13 HB2 HIS 13 9.629 8.824 6.239 100 HB3 HIS 13 HB3 HIS 13 9.680 7.079 6.011 101 HD1 HIS 13 HD1 HIS 13 9.034 8.641 8.726 102 HD2 HIS 13 HD2 HIS 13 12.610 6.782 7.718 103 HE1 HIS 13 HE1 HIS 13 10.163 8.125 10.913 104 H ARG 14 H ARG 14 12.853 7.436 3.346 105 HA ARG 14 HA ARG 14 11.102 8.055 1.232 106 HB2 ARG 14 HB2 ARG 14 13.326 6.017 1.134 107 HB3 ARG 14 HB3 ARG 14 12.674 6.958 -0.200 108 HG2 ARG 14 HG2 ARG 14 13.479 9.002 1.176 109 HG3 ARG 14 HG3 ARG 14 14.489 7.817 2.008 110 HD2 ARG 14 HD2 ARG 14 14.452 7.887 -0.976 111 HD3 ARG 14 HD3 ARG 14 15.391 9.089 -0.092 112 HE ARG 14 HE ARG 14 15.992 6.293 -0.392 113 HH11 ARG 14 HH11 ARG 14 16.477 9.138 1.555 114 HH12 ARG 14 HH12 ARG 14 17.969 8.578 2.235 115 HH21 ARG 14 HH21 ARG 14 17.955 5.544 0.497 116 HH22 ARG 14 HH22 ARG 14 18.809 6.533 1.632 117 H GLU 15 H GLU 15 9.523 6.939 0.243 118 HA GLU 15 HA GLU 15 9.191 4.094 0.892 119 HB2 GLU 15 HB2 GLU 15 7.698 5.588 2.300 120 HB3 GLU 15 HB3 GLU 15 6.878 6.029 0.808 121 HG2 GLU 15 HG2 GLU 15 5.972 3.923 0.526 122 HG3 GLU 15 HG3 GLU 15 7.175 3.156 1.561 123 H CYS 16 H CYS 16 10.002 5.907 -1.468 124 HA CYS 16 HA CYS 16 7.987 5.376 -3.455 125 HB2 CYS 16 HB2 CYS 16 10.822 6.219 -4.023 126 HB3 CYS 16 HB3 CYS 16 9.372 6.547 -4.967 127 H CYS 17 H CYS 17 8.187 3.991 -5.247 128 HA CYS 17 HA CYS 17 9.120 1.429 -4.738 129 HB2 CYS 17 HB2 CYS 17 8.423 2.853 -7.297 130 HB3 CYS 17 HB3 CYS 17 8.960 1.177 -7.300 131 H HIS 18 H HIS 18 10.826 0.204 -5.770 132 HA HIS 18 HA HIS 18 13.356 1.212 -5.403 133 HB2 HIS 18 HB2 HIS 18 12.388 -1.024 -7.182 134 HB3 HIS 18 HB3 HIS 18 14.098 -0.672 -6.952 135 HD1 HIS 18 HD1 HIS 18 14.896 -0.783 -4.339 136 HD2 HIS 18 HD2 HIS 18 11.343 -2.699 -5.321 137 HE1 HIS 18 HE1 HIS 18 14.453 -2.386 -2.453 138 H GLY 19 H GLY 19 11.612 0.919 -8.498 139 HA2 GLY 19 HA2 GLY 19 13.590 2.017 -10.138 140 HA3 GLY 19 HA3 GLY 19 11.867 2.036 -10.485 141 H LEU 20 H LEU 20 11.450 3.565 -7.904 142 HA LEU 20 HA LEU 20 12.155 6.198 -9.006 143 HB2 LEU 20 HB2 LEU 20 10.048 5.592 -6.944 144 HB3 LEU 20 HB3 LEU 20 10.275 7.092 -7.842 145 HG LEU 20 HG LEU 20 9.562 4.528 -9.232 146 HD11 LEU 20 HD11 LEU 20 7.759 6.447 -7.796 147 HD12 LEU 20 HD12 LEU 20 7.195 5.484 -9.161 148 HD13 LEU 20 HD13 LEU 20 7.797 4.686 -7.708 149 HD21 LEU 20 HD21 LEU 20 8.437 6.912 -10.324 150 HD22 LEU 20 HD22 LEU 20 10.162 7.159 -10.058 151 HD23 LEU 20 HD23 LEU 20 9.607 5.806 -11.044 152 H VAL 21 H VAL 21 12.279 7.933 -7.202 153 HA VAL 21 HA VAL 21 13.559 6.944 -4.773 154 HB VAL 21 HB VAL 21 15.474 8.509 -5.059 155 HG11 VAL 21 HG11 VAL 21 15.553 6.638 -7.379 156 HG12 VAL 21 HG12 VAL 21 16.774 6.958 -6.148 157 HG13 VAL 21 HG13 VAL 21 15.357 5.985 -5.753 158 HG21 VAL 21 HG21 VAL 21 15.632 9.927 -6.770 159 HG22 VAL 21 HG22 VAL 21 15.325 8.648 -7.945 160 HG23 VAL 21 HG23 VAL 21 13.974 9.487 -7.182 161 H CYS 22 H CYS 22 13.249 8.241 -3.035 162 HA CYS 22 HA CYS 22 11.330 10.342 -3.246 163 HB2 CYS 22 HB2 CYS 22 11.623 8.740 -1.291 164 HB3 CYS 22 HB3 CYS 22 13.019 9.707 -0.828 165 H ARG 23 H ARG 23 11.997 12.143 -4.282 166 HA ARG 23 HA ARG 23 14.357 13.518 -3.180 167 HB2 ARG 23 HB2 ARG 23 13.479 13.243 -6.047 168 HB3 ARG 23 HB3 ARG 23 14.549 14.539 -5.526 169 HG2 ARG 23 HG2 ARG 23 15.915 12.530 -4.500 170 HG3 ARG 23 HG3 ARG 23 15.063 11.625 -5.753 171 HD2 ARG 23 HD2 ARG 23 15.860 13.358 -7.393 172 HD3 ARG 23 HD3 ARG 23 16.879 14.001 -6.106 173 HE ARG 23 HE ARG 23 17.307 11.591 -7.622 174 HH11 ARG 23 HH11 ARG 23 18.014 13.299 -4.672 175 HH12 ARG 23 HH12 ARG 23 19.488 12.439 -4.375 176 HH21 ARG 23 HH21 ARG 23 19.247 10.452 -7.241 177 HH22 ARG 23 HH22 ARG 23 20.189 10.821 -5.837 178 H ARG 24 H ARG 24 14.266 15.942 -4.000 179 HA ARG 24 HA ARG 24 12.286 17.248 -2.623 180 HB2 ARG 24 HB2 ARG 24 14.308 17.990 -4.596 181 HB3 ARG 24 HB3 ARG 24 12.894 19.034 -4.643 182 HG2 ARG 24 HG2 ARG 24 13.892 20.175 -3.014 183 HG3 ARG 24 HG3 ARG 24 13.403 18.848 -1.958 184 HD2 ARG 24 HD2 ARG 24 15.751 19.290 -1.645 185 HD3 ARG 24 HD3 ARG 24 15.553 17.726 -2.435 186 HE ARG 24 HE ARG 24 15.887 19.578 -4.456 187 HH11 ARG 24 HH11 ARG 24 17.711 18.420 -1.726 188 HH12 ARG 24 HH12 ARG 24 19.251 18.707 -2.467 189 HH21 ARG 24 HH21 ARG 24 17.908 19.961 -5.442 190 HH22 ARG 24 HH22 ARG 24 19.362 19.585 -4.580 191 HA PRO 25 HA PRO 25 8.597 17.355 -4.995 192 HB2 PRO 25 HB2 PRO 25 7.818 19.952 -4.867 193 HB3 PRO 25 HB3 PRO 25 7.742 18.857 -3.481 194 HG2 PRO 25 HG2 PRO 25 9.808 20.915 -4.158 195 HG3 PRO 25 HG3 PRO 25 9.067 20.548 -2.590 196 HD2 PRO 25 HD2 PRO 25 11.527 19.654 -3.283 197 HD3 PRO 25 HD3 PRO 25 10.440 18.733 -2.224 198 H ASP 26 H ASP 26 7.555 18.108 -6.942 199 HA ASP 26 HA ASP 26 9.481 18.837 -8.983 200 HB2 ASP 26 HB2 ASP 26 7.459 18.486 -10.509 201 HB3 ASP 26 HB3 ASP 26 8.052 17.075 -9.637 202 H TYR 27 H TYR 27 6.864 20.283 -7.223 203 HA TYR 27 HA TYR 27 7.464 22.850 -8.455 204 HB2 TYR 27 HB2 TYR 27 4.769 21.516 -8.578 205 HB3 TYR 27 HB3 TYR 27 4.929 23.267 -8.647 206 HD1 TYR 27 HD1 TYR 27 4.581 20.440 -10.602 207 HD2 TYR 27 HD2 TYR 27 6.854 24.032 -10.404 208 HE1 TYR 27 HE1 TYR 27 5.001 20.301 -13.021 209 HE2 TYR 27 HE2 TYR 27 7.279 23.903 -12.823 210 HH TYR 27 HH TYR 27 7.339 22.148 -14.590 211 H GLY 28 H GLY 28 7.935 21.707 -5.850 212 HA2 GLY 28 HA2 GLY 28 5.994 22.785 -4.022 213 HA3 GLY 28 HA3 GLY 28 7.555 22.096 -3.601 214 H ILE 29 H ILE 29 5.826 24.994 -4.451 215 HA ILE 29 HA ILE 29 8.057 26.572 -3.393 216 HB ILE 29 HB ILE 29 6.583 27.311 -5.923 217 HG12 ILE 29 HG12 ILE 29 8.170 25.422 -6.224 218 HG13 ILE 29 HG13 ILE 29 8.661 26.870 -7.096 219 HG21 ILE 29 HG21 ILE 29 7.153 29.334 -4.982 220 HG22 ILE 29 HG22 ILE 29 8.608 28.691 -4.221 221 HG23 ILE 29 HG23 ILE 29 8.580 28.988 -5.959 222 HD11 ILE 29 HD11 ILE 29 9.786 26.711 -4.419 223 HD12 ILE 29 HD12 ILE 29 10.250 25.366 -5.460 224 HD13 ILE 29 HD13 ILE 29 10.570 27.024 -5.967 225 H GLY 30 H GLY 30 6.497 26.456 -1.557 226 HA2 GLY 30 HA2 GLY 30 5.339 28.777 -0.890 227 HA3 GLY 30 HA3 GLY 30 4.068 28.024 -1.843 228 H ARG 31 H ARG 31 4.854 25.320 -0.925 229 HA ARG 31 HA ARG 31 3.527 25.451 1.688 230 HB2 ARG 31 HB2 ARG 31 2.998 23.903 -0.540 231 HB3 ARG 31 HB3 ARG 31 3.868 22.797 0.515 232 HG2 ARG 31 HG2 ARG 31 2.178 22.662 1.988 233 HG3 ARG 31 HG3 ARG 31 1.755 24.367 1.818 234 HD2 ARG 31 HD2 ARG 31 1.200 22.398 -0.375 235 HD3 ARG 31 HD3 ARG 31 0.086 22.594 0.978 236 HE ARG 31 HE ARG 31 0.567 25.131 0.006 237 HH11 ARG 31 HH11 ARG 31 -0.756 22.147 -1.205 238 HH12 ARG 31 HH12 ARG 31 -1.822 22.924 -2.328 239 HH21 ARG 31 HH21 ARG 31 -0.832 26.166 -1.469 240 HH22 ARG 31 HH22 ARG 31 -1.864 25.210 -2.478 241 H GLY 32 H GLY 32 4.180 23.068 2.800 242 HA2 GLY 32 HA2 GLY 32 6.646 23.568 4.020 243 HA3 GLY 32 HA3 GLY 32 5.779 22.041 4.086 244 H ILE 33 H ILE 33 8.187 21.427 4.151 245 HA ILE 33 HA ILE 33 9.469 21.398 1.546 246 HB ILE 33 HB ILE 33 10.436 20.030 4.051 247 HG12 ILE 33 HG12 ILE 33 10.972 22.861 3.124 248 HG13 ILE 33 HG13 ILE 33 10.028 22.402 4.537 249 HG21 ILE 33 HG21 ILE 33 12.571 20.047 3.029 250 HG22 ILE 33 HG22 ILE 33 11.440 19.467 1.806 251 HG23 ILE 33 HG23 ILE 33 12.027 21.129 1.747 252 HD11 ILE 33 HD11 ILE 33 11.936 22.718 5.645 253 HD12 ILE 33 HD12 ILE 33 12.384 21.134 5.015 254 HD13 ILE 33 HD13 ILE 33 12.918 22.596 4.186 255 H LEU 34 H LEU 34 7.380 20.114 0.915 256 HA LEU 34 HA LEU 34 7.437 17.308 1.575 257 HB2 LEU 34 HB2 LEU 34 5.815 18.862 -0.434 258 HB3 LEU 34 HB3 LEU 34 5.599 17.149 -0.084 259 HG LEU 34 HG LEU 34 5.361 19.144 2.128 260 HD11 LEU 34 HD11 LEU 34 2.807 18.499 0.965 261 HD12 LEU 34 HD12 LEU 34 3.492 20.072 1.373 262 HD13 LEU 34 HD13 LEU 34 3.832 19.342 -0.196 263 HD21 LEU 34 HD21 LEU 34 5.360 16.792 2.696 264 HD22 LEU 34 HD22 LEU 34 3.753 17.470 2.954 265 HD23 LEU 34 HD23 LEU 34 4.074 16.482 1.529 266 H TRP 35 H TRP 35 8.627 15.820 0.596 267 HA TRP 35 HA TRP 35 9.951 16.498 -1.923 268 HB2 TRP 35 HB2 TRP 35 10.485 14.493 0.245 269 HB3 TRP 35 HB3 TRP 35 11.184 14.269 -1.356 270 HD1 TRP 35 HD1 TRP 35 10.860 17.670 0.439 271 HE1 TRP 35 HE1 TRP 35 13.225 18.627 0.778 272 HE3 TRP 35 HE3 TRP 35 13.593 13.696 -1.254 273 HZ2 TRP 35 HZ2 TRP 35 15.896 17.806 0.380 274 HZ3 TRP 35 HZ3 TRP 35 16.048 13.862 -1.242 275 HH2 TRP 35 HH2 TRP 35 17.174 15.876 -0.442 276 H LYS 36 H LYS 36 9.391 15.610 -3.805 277 HA LYS 36 HA LYS 36 7.392 13.458 -3.774 278 HB2 LYS 36 HB2 LYS 36 8.067 15.608 -5.763 279 HB3 LYS 36 HB3 LYS 36 7.158 14.183 -6.249 280 HG2 LYS 36 HG2 LYS 36 5.740 14.909 -4.090 281 HG3 LYS 36 HG3 LYS 36 6.341 16.487 -4.605 282 HD2 LYS 36 HD2 LYS 36 5.530 15.314 -6.966 283 HD3 LYS 36 HD3 LYS 36 4.313 14.775 -5.806 284 HE2 LYS 36 HE2 LYS 36 4.519 17.385 -5.135 285 HE3 LYS 36 HE3 LYS 36 4.876 17.469 -6.859 286 HZ1 LYS 36 HZ1 LYS 36 2.555 15.908 -5.976 287 HZ2 LYS 36 HZ2 LYS 36 2.433 17.596 -5.998 288 HZ3 LYS 36 HZ3 LYS 36 2.796 16.755 -7.421 289 H CYS 37 H CYS 37 7.679 11.576 -4.920 290 HA CYS 37 HA CYS 37 10.320 10.655 -5.277 291 HB2 CYS 37 HB2 CYS 37 7.792 9.450 -6.419 292 HB3 CYS 37 HB3 CYS 37 9.319 8.621 -6.133 293 H THR 38 H THR 38 11.398 10.009 -7.199 294 HA THR 38 HA THR 38 10.390 11.063 -9.727 295 HB THR 38 HB THR 38 11.682 12.929 -8.841 296 HG1 THR 38 HG1 THR 38 13.171 11.579 -10.864 297 HG21 THR 38 HG21 THR 38 13.979 10.972 -8.696 298 HG22 THR 38 HG22 THR 38 14.088 12.709 -8.410 299 HG23 THR 38 HG23 THR 38 13.144 11.693 -7.320 300 H ARG 39 H ARG 39 10.991 9.872 -11.461 301 HA ARG 39 HA ARG 39 11.991 7.295 -11.137 302 HB2 ARG 39 HB2 ARG 39 10.719 8.491 -13.132 303 HB3 ARG 39 HB3 ARG 39 12.353 8.673 -13.758 304 HG2 ARG 39 HG2 ARG 39 12.508 6.111 -13.232 305 HG3 ARG 39 HG3 ARG 39 10.749 6.205 -13.330 306 HD2 ARG 39 HD2 ARG 39 12.500 7.355 -15.476 307 HD3 ARG 39 HD3 ARG 39 12.064 5.647 -15.467 308 HE ARG 39 HE ARG 39 9.755 7.263 -15.201 309 HH11 ARG 39 HH11 ARG 39 12.121 6.218 -17.532 310 HH12 ARG 39 HH12 ARG 39 11.052 6.382 -18.885 311 HH21 ARG 39 HH21 ARG 39 8.338 7.484 -16.975 312 HH22 ARG 39 HH22 ARG 39 8.901 7.103 -18.568 313 H ALA 40 H ALA 40 13.958 6.755 -10.467 314 HA ALA 40 HA ALA 40 16.219 8.407 -10.536 315 HB1 ALA 40 HB1 ALA 40 16.883 5.584 -10.503 316 HB2 ALA 40 HB2 ALA 40 17.114 6.814 -9.262 317 HB3 ALA 40 HB3 ALA 40 15.569 5.975 -9.394 318 H ARG 41 H ARG 41 18.088 8.372 -11.810 319 HA ARG 41 HA ARG 41 18.099 6.762 -14.234 320 HB2 ARG 41 HB2 ARG 41 16.895 9.085 -14.531 321 HB3 ARG 41 HB3 ARG 41 18.542 9.698 -14.580 322 HG2 ARG 41 HG2 ARG 41 18.025 7.381 -16.307 323 HG3 ARG 41 HG3 ARG 41 17.157 8.855 -16.738 324 HD2 ARG 41 HD2 ARG 41 19.665 9.803 -16.229 325 HD3 ARG 41 HD3 ARG 41 20.010 8.220 -16.924 326 HE ARG 41 HE ARG 41 18.100 9.712 -18.449 327 HH11 ARG 41 HH11 ARG 41 21.496 9.236 -17.847 328 HH12 ARG 41 HH12 ARG 41 21.986 9.804 -19.409 329 HH21 ARG 41 HH21 ARG 41 18.732 10.461 -20.508 330 HH22 ARG 41 HH22 ARG 41 20.413 10.501 -20.922 331 H LYS 42 H LYS 42 19.782 6.347 -12.209 332 HA LYS 42 HA LYS 42 22.208 7.887 -12.520 333 HB2 LYS 42 HB2 LYS 42 21.228 5.766 -10.709 334 HB3 LYS 42 HB3 LYS 42 22.960 5.768 -11.012 335 HG2 LYS 42 HG2 LYS 42 23.298 7.632 -9.811 336 HG3 LYS 42 HG3 LYS 42 21.812 8.395 -10.381 337 HD2 LYS 42 HD2 LYS 42 21.634 7.995 -8.012 338 HD3 LYS 42 HD3 LYS 42 20.526 6.915 -8.862 339 HE2 LYS 42 HE2 LYS 42 21.966 5.056 -8.554 340 HE3 LYS 42 HE3 LYS 42 23.293 6.085 -8.017 341 HZ1 LYS 42 HZ1 LYS 42 21.677 4.779 -6.358 342 HZ2 LYS 42 HZ2 LYS 42 22.468 6.216 -5.945 343 HZ3 LYS 42 HZ3 LYS 42 20.854 6.254 -6.453 Start of MODEL 8 1 H1 GLY 1 H GLY 1 3.959 -2.626 0.199 2 HA2 GLY 1 HA2 GLY 1 3.650 -1.698 -1.914 3 HA3 GLY 1 HA3 GLY 1 2.412 -0.647 -1.243 4 H CYS 2 H CYS 2 4.201 0.347 -3.054 5 HA CYS 2 HA CYS 2 5.835 2.126 -1.370 6 HB2 CYS 2 HB2 CYS 2 7.412 2.229 -3.386 7 HB3 CYS 2 HB3 CYS 2 7.452 0.764 -2.411 8 H LYS 3 H LYS 3 6.470 4.155 -2.631 9 HA LYS 3 HA LYS 3 4.045 5.343 -3.632 10 HB2 LYS 3 HB2 LYS 3 6.759 6.648 -3.573 11 HB3 LYS 3 HB3 LYS 3 5.179 7.418 -3.503 12 HG2 LYS 3 HG2 LYS 3 6.466 5.750 -1.353 13 HG3 LYS 3 HG3 LYS 3 6.212 7.496 -1.335 14 HD2 LYS 3 HD2 LYS 3 4.048 5.392 -1.391 15 HD3 LYS 3 HD3 LYS 3 4.535 6.338 0.017 16 HE2 LYS 3 HE2 LYS 3 4.040 8.262 -1.886 17 HE3 LYS 3 HE3 LYS 3 2.801 7.052 -2.216 18 HZ1 LYS 3 HZ1 LYS 3 3.230 7.847 0.566 19 HZ2 LYS 3 HZ2 LYS 3 2.437 8.943 -0.451 20 HZ3 LYS 3 HZ3 LYS 3 1.802 7.392 -0.219 21 H LYS 4 H LYS 4 3.765 6.323 -5.668 22 HA LYS 4 HA LYS 4 5.229 4.981 -7.804 23 HB2 LYS 4 HB2 LYS 4 2.878 6.837 -8.132 24 HB3 LYS 4 HB3 LYS 4 3.447 5.599 -9.244 25 HG2 LYS 4 HG2 LYS 4 2.883 3.959 -7.323 26 HG3 LYS 4 HG3 LYS 4 1.904 5.292 -6.705 27 HD2 LYS 4 HD2 LYS 4 0.362 5.087 -8.342 28 HD3 LYS 4 HD3 LYS 4 1.568 4.695 -9.570 29 HE2 LYS 4 HE2 LYS 4 0.165 2.779 -9.243 30 HE3 LYS 4 HE3 LYS 4 1.756 2.425 -8.573 31 HZ1 LYS 4 HZ1 LYS 4 -0.437 1.914 -7.248 32 HZ2 LYS 4 HZ2 LYS 4 0.970 2.423 -6.456 33 HZ3 LYS 4 HZ3 LYS 4 -0.269 3.530 -6.775 34 H LEU 5 H LEU 5 5.178 6.617 -9.891 35 HA LEU 5 HA LEU 5 7.329 8.361 -9.471 36 HB2 LEU 5 HB2 LEU 5 6.898 7.417 -11.638 37 HB3 LEU 5 HB3 LEU 5 5.327 8.212 -11.716 38 HG LEU 5 HG LEU 5 6.798 10.393 -11.542 39 HD11 LEU 5 HD11 LEU 5 8.935 10.203 -12.607 40 HD12 LEU 5 HD12 LEU 5 8.896 9.098 -11.233 41 HD13 LEU 5 HD13 LEU 5 8.702 8.475 -12.872 42 HD21 LEU 5 HD21 LEU 5 5.291 9.735 -13.391 43 HD22 LEU 5 HD22 LEU 5 6.752 10.551 -13.947 44 HD23 LEU 5 HD23 LEU 5 6.610 8.799 -14.095 45 H ASN 6 H ASN 6 7.484 10.479 -8.990 46 HA ASN 6 HA ASN 6 6.903 12.564 -8.293 47 HB2 ASN 6 HB2 ASN 6 4.636 11.967 -10.185 48 HB3 ASN 6 HB3 ASN 6 4.726 13.492 -9.308 49 HD21 ASN 6 HD21 ASN 6 5.456 12.018 -12.134 50 HD22 ASN 6 HD22 ASN 6 6.732 13.045 -12.682 51 H SER 7 H SER 7 6.033 10.143 -6.818 52 HA SER 7 HA SER 7 3.521 10.911 -5.591 53 HB2 SER 7 HB2 SER 7 5.424 8.613 -5.117 54 HB3 SER 7 HB3 SER 7 3.981 8.881 -4.139 55 HG SER 7 HG SER 7 2.777 8.184 -5.726 56 H TYR 8 H TYR 8 3.259 11.844 -3.630 57 HA TYR 8 HA TYR 8 5.354 13.358 -2.524 58 HB2 TYR 8 HB2 TYR 8 2.566 12.689 -1.653 59 HB3 TYR 8 HB3 TYR 8 3.648 13.519 -0.540 60 HD1 TYR 8 HD1 TYR 8 2.717 15.662 -0.397 61 HD2 TYR 8 HD2 TYR 8 3.392 13.935 -4.227 62 HE1 TYR 8 HE1 TYR 8 2.164 17.811 -1.458 63 HE2 TYR 8 HE2 TYR 8 2.843 16.080 -5.297 64 HH TYR 8 HH TYR 8 1.209 18.349 -4.136 65 H CYS 9 H CYS 9 6.698 13.045 -0.819 66 HA CYS 9 HA CYS 9 6.357 10.883 1.037 67 HB2 CYS 9 HB2 CYS 9 8.453 9.711 0.466 68 HB3 CYS 9 HB3 CYS 9 7.272 9.620 -0.836 69 H THR 10 H THR 10 8.798 10.640 2.123 70 HA THR 10 HA THR 10 9.640 13.400 2.720 71 HB THR 10 HB THR 10 8.410 12.724 4.633 72 HG1 THR 10 HG1 THR 10 9.963 13.162 6.036 73 HG21 THR 10 HG21 THR 10 9.314 10.539 5.823 74 HG22 THR 10 HG22 THR 10 8.059 10.460 4.586 75 HG23 THR 10 HG23 THR 10 9.734 10.098 4.168 76 H ARG 11 H ARG 11 11.815 13.761 3.038 77 HA ARG 11 HA ARG 11 13.606 11.927 1.802 78 HB2 ARG 11 HB2 ARG 11 13.859 14.407 1.736 79 HB3 ARG 11 HB3 ARG 11 14.271 14.374 3.446 80 HG2 ARG 11 HG2 ARG 11 16.156 12.790 2.791 81 HG3 ARG 11 HG3 ARG 11 15.829 13.283 1.128 82 HD2 ARG 11 HD2 ARG 11 17.356 14.878 1.604 83 HD3 ARG 11 HD3 ARG 11 15.957 15.694 2.300 84 HE ARG 11 HE ARG 11 16.931 14.208 4.355 85 HH11 ARG 11 HH11 ARG 11 18.314 16.557 2.189 86 HH12 ARG 11 HH12 ARG 11 19.478 17.126 3.340 87 HH21 ARG 11 HH21 ARG 11 18.460 14.948 5.879 88 HH22 ARG 11 HH22 ARG 11 19.561 16.209 5.438 89 H GLN 12 H GLN 12 12.480 12.328 5.002 90 HA GLN 12 HA GLN 12 14.765 11.208 6.327 91 HB2 GLN 12 HB2 GLN 12 11.947 11.823 7.187 92 HB3 GLN 12 HB3 GLN 12 13.070 10.982 8.248 93 HG2 GLN 12 HG2 GLN 12 13.711 13.638 7.008 94 HG3 GLN 12 HG3 GLN 12 12.861 13.485 8.546 95 HE21 GLN 12 HE21 GLN 12 15.629 14.423 7.606 96 HE22 GLN 12 HE22 GLN 12 16.706 13.666 8.724 97 H HIS 13 H HIS 13 11.721 9.998 5.058 98 HA HIS 13 HA HIS 13 12.732 7.270 5.383 99 HB2 HIS 13 HB2 HIS 13 10.090 8.308 6.385 100 HB3 HIS 13 HB3 HIS 13 10.317 6.606 5.991 101 HD1 HIS 13 HD1 HIS 13 9.779 7.856 8.889 102 HD2 HIS 13 HD2 HIS 13 13.417 6.524 7.388 103 HE1 HIS 13 HE1 HIS 13 11.176 7.302 10.905 104 H ARG 14 H ARG 14 13.145 7.502 3.106 105 HA ARG 14 HA ARG 14 11.151 8.090 1.208 106 HB2 ARG 14 HB2 ARG 14 13.508 6.277 0.718 107 HB3 ARG 14 HB3 ARG 14 12.680 7.313 -0.436 108 HG2 ARG 14 HG2 ARG 14 14.358 8.734 -0.077 109 HG3 ARG 14 HG3 ARG 14 13.526 9.112 1.433 110 HD2 ARG 14 HD2 ARG 14 15.033 7.995 2.701 111 HD3 ARG 14 HD3 ARG 14 15.307 6.758 1.475 112 HE ARG 14 HE ARG 14 16.868 9.081 1.910 113 HH11 ARG 14 HH11 ARG 14 15.628 7.037 -0.621 114 HH12 ARG 14 HH12 ARG 14 16.914 7.399 -1.723 115 HH21 ARG 14 HH21 ARG 14 18.568 9.566 0.468 116 HH22 ARG 14 HH22 ARG 14 18.587 8.837 -1.102 117 H GLU 15 H GLU 15 9.536 6.919 0.385 118 HA GLU 15 HA GLU 15 9.510 4.021 0.912 119 HB2 GLU 15 HB2 GLU 15 7.485 6.091 1.485 120 HB3 GLU 15 HB3 GLU 15 6.867 4.618 0.751 121 HG2 GLU 15 HG2 GLU 15 7.583 3.289 2.539 122 HG3 GLU 15 HG3 GLU 15 8.650 4.548 3.157 123 H CYS 16 H CYS 16 10.121 5.947 -1.452 124 HA CYS 16 HA CYS 16 8.176 5.386 -3.443 125 HB2 CYS 16 HB2 CYS 16 11.073 6.060 -3.949 126 HB3 CYS 16 HB3 CYS 16 9.689 6.386 -4.988 127 H CYS 17 H CYS 17 8.309 3.970 -5.225 128 HA CYS 17 HA CYS 17 9.107 1.359 -4.641 129 HB2 CYS 17 HB2 CYS 17 8.435 2.716 -7.251 130 HB3 CYS 17 HB3 CYS 17 8.796 0.996 -7.146 131 H HIS 18 H HIS 18 10.677 0.026 -5.831 132 HA HIS 18 HA HIS 18 13.281 0.945 -5.559 133 HB2 HIS 18 HB2 HIS 18 12.150 -1.330 -7.189 134 HB3 HIS 18 HB3 HIS 18 13.880 -1.044 -7.026 135 HD1 HIS 18 HD1 HIS 18 13.494 -0.203 -3.899 136 HD2 HIS 18 HD2 HIS 18 12.357 -3.740 -5.759 137 HE1 HIS 18 HE1 HIS 18 13.362 -1.916 -2.063 138 H GLY 19 H GLY 19 11.084 1.210 -8.248 139 HA2 GLY 19 HA2 GLY 19 13.181 2.047 -10.084 140 HA3 GLY 19 HA3 GLY 19 11.469 1.901 -10.451 141 H LEU 20 H LEU 20 12.112 3.597 -7.580 142 HA LEU 20 HA LEU 20 12.181 6.192 -8.922 143 HB2 LEU 20 HB2 LEU 20 10.163 5.614 -6.770 144 HB3 LEU 20 HB3 LEU 20 10.290 7.052 -7.781 145 HG LEU 20 HG LEU 20 9.640 4.358 -8.941 146 HD11 LEU 20 HD11 LEU 20 7.244 5.245 -8.880 147 HD12 LEU 20 HD12 LEU 20 7.912 4.588 -7.385 148 HD13 LEU 20 HD13 LEU 20 7.814 6.334 -7.615 149 HD21 LEU 20 HD21 LEU 20 10.088 6.962 -9.985 150 HD22 LEU 20 HD22 LEU 20 9.644 5.489 -10.848 151 HD23 LEU 20 HD23 LEU 20 8.388 6.557 -10.223 152 H VAL 21 H VAL 21 12.303 7.989 -7.191 153 HA VAL 21 HA VAL 21 13.666 7.129 -4.758 154 HB VAL 21 HB VAL 21 15.506 8.790 -5.165 155 HG11 VAL 21 HG11 VAL 21 16.871 7.245 -6.271 156 HG12 VAL 21 HG12 VAL 21 15.610 6.257 -5.535 157 HG13 VAL 21 HG13 VAL 21 15.541 6.637 -7.255 158 HG21 VAL 21 HG21 VAL 21 13.962 9.570 -7.298 159 HG22 VAL 21 HG22 VAL 21 15.650 10.009 -7.035 160 HG23 VAL 21 HG23 VAL 21 15.246 8.636 -8.065 161 H CYS 22 H CYS 22 13.307 8.453 -3.060 162 HA CYS 22 HA CYS 22 11.355 10.519 -3.328 163 HB2 CYS 22 HB2 CYS 22 11.683 8.949 -1.337 164 HB3 CYS 22 HB3 CYS 22 13.029 9.987 -0.878 165 H ARG 23 H ARG 23 11.931 12.369 -4.294 166 HA ARG 23 HA ARG 23 14.336 13.739 -3.286 167 HB2 ARG 23 HB2 ARG 23 13.318 13.472 -6.102 168 HB3 ARG 23 HB3 ARG 23 14.334 14.829 -5.635 169 HG2 ARG 23 HG2 ARG 23 15.158 11.985 -5.152 170 HG3 ARG 23 HG3 ARG 23 15.479 12.816 -6.676 171 HD2 ARG 23 HD2 ARG 23 16.286 13.988 -4.033 172 HD3 ARG 23 HD3 ARG 23 17.314 12.839 -4.889 173 HE ARG 23 HE ARG 23 16.474 15.054 -6.511 174 HH11 ARG 23 HH11 ARG 23 18.826 13.934 -4.202 175 HH12 ARG 23 HH12 ARG 23 20.050 15.051 -4.711 176 HH21 ARG 23 HH21 ARG 23 18.076 16.529 -7.189 177 HH22 ARG 23 HH22 ARG 23 19.621 16.527 -6.409 178 H ARG 24 H ARG 24 14.166 16.184 -4.102 179 HA ARG 24 HA ARG 24 12.303 17.465 -2.558 180 HB2 ARG 24 HB2 ARG 24 14.121 18.229 -4.710 181 HB3 ARG 24 HB3 ARG 24 12.690 19.250 -4.637 182 HG2 ARG 24 HG2 ARG 24 13.903 20.418 -3.160 183 HG3 ARG 24 HG3 ARG 24 13.375 19.172 -2.026 184 HD2 ARG 24 HD2 ARG 24 15.783 19.545 -1.875 185 HD3 ARG 24 HD3 ARG 24 15.422 17.915 -2.440 186 HE ARG 24 HE ARG 24 15.784 19.588 -4.662 187 HH11 ARG 24 HH11 ARG 24 17.605 18.173 -2.054 188 HH12 ARG 24 HH12 ARG 24 19.092 18.128 -2.943 189 HH21 ARG 24 HH21 ARG 24 17.736 19.534 -5.843 190 HH22 ARG 24 HH22 ARG 24 19.165 18.903 -5.097 191 HA PRO 25 HA PRO 25 8.402 17.512 -4.564 192 HB2 PRO 25 HB2 PRO 25 7.603 20.099 -4.371 193 HB3 PRO 25 HB3 PRO 25 7.676 19.010 -2.981 194 HG2 PRO 25 HG2 PRO 25 9.639 21.093 -3.861 195 HG3 PRO 25 HG3 PRO 25 9.057 20.723 -2.227 196 HD2 PRO 25 HD2 PRO 25 11.451 19.859 -3.151 197 HD3 PRO 25 HD3 PRO 25 10.484 18.929 -1.988 198 H ASP 26 H ASP 26 7.028 18.944 -6.187 199 HA ASP 26 HA ASP 26 8.639 19.128 -8.591 200 HB2 ASP 26 HB2 ASP 26 6.589 17.983 -8.902 201 HB3 ASP 26 HB3 ASP 26 5.675 19.229 -8.058 202 H TYR 27 H TYR 27 6.315 21.242 -6.903 203 HA TYR 27 HA TYR 27 7.027 23.531 -8.462 204 HB2 TYR 27 HB2 TYR 27 4.808 23.004 -7.185 205 HB3 TYR 27 HB3 TYR 27 5.640 23.720 -5.809 206 HD1 TYR 27 HD1 TYR 27 4.376 24.377 -9.218 207 HD2 TYR 27 HD2 TYR 27 5.941 26.075 -5.644 208 HE1 TYR 27 HE1 TYR 27 3.748 26.618 -10.015 209 HE2 TYR 27 HE2 TYR 27 5.316 28.320 -6.431 210 HH TYR 27 HH TYR 27 4.777 29.502 -8.384 211 H GLY 28 H GLY 28 7.983 22.224 -5.351 212 HA2 GLY 28 HA2 GLY 28 10.386 22.885 -4.857 213 HA3 GLY 28 HA3 GLY 28 9.784 24.532 -4.975 214 H ILE 29 H ILE 29 10.774 24.568 -2.765 215 HA ILE 29 HA ILE 29 9.096 23.330 -0.713 216 HB ILE 29 HB ILE 29 11.588 24.961 -0.256 217 HG12 ILE 29 HG12 ILE 29 11.354 21.968 -0.637 218 HG13 ILE 29 HG13 ILE 29 12.102 23.088 -1.769 219 HG21 ILE 29 HG21 ILE 29 9.693 23.977 1.492 220 HG22 ILE 29 HG22 ILE 29 10.990 22.784 1.570 221 HG23 ILE 29 HG23 ILE 29 11.331 24.482 1.906 222 HD11 ILE 29 HD11 ILE 29 13.374 23.554 0.663 223 HD12 ILE 29 HD12 ILE 29 13.217 21.802 0.541 224 HD13 ILE 29 HD13 ILE 29 14.021 22.706 -0.742 225 H GLY 30 H GLY 30 7.547 25.091 -1.856 226 HA2 GLY 30 HA2 GLY 30 7.832 27.719 -0.648 227 HA3 GLY 30 HA3 GLY 30 6.565 27.209 -1.753 228 H ARG 31 H ARG 31 5.702 24.911 -0.354 229 HA ARG 31 HA ARG 31 4.778 25.988 2.216 230 HB2 ARG 31 HB2 ARG 31 3.151 26.149 0.109 231 HB3 ARG 31 HB3 ARG 31 2.818 24.482 0.558 232 HG2 ARG 31 HG2 ARG 31 2.018 25.114 2.689 233 HG3 ARG 31 HG3 ARG 31 2.644 26.755 2.513 234 HD2 ARG 31 HD2 ARG 31 1.022 27.290 0.867 235 HD3 ARG 31 HD3 ARG 31 0.543 25.602 0.695 236 HE ARG 31 HE ARG 31 -0.427 27.464 2.616 237 HH11 ARG 31 HH11 ARG 31 0.320 24.099 2.124 238 HH12 ARG 31 HH12 ARG 31 -0.814 23.540 3.308 239 HH21 ARG 31 HH21 ARG 31 -1.924 26.740 4.178 240 HH22 ARG 31 HH22 ARG 31 -2.090 25.042 4.475 241 H GLY 32 H GLY 32 5.320 24.593 3.751 242 HA2 GLY 32 HA2 GLY 32 5.585 22.615 4.894 243 HA3 GLY 32 HA3 GLY 32 4.561 21.860 3.681 244 H ILE 33 H ILE 33 6.862 20.696 4.919 245 HA ILE 33 HA ILE 33 8.905 20.716 2.833 246 HB ILE 33 HB ILE 33 8.954 19.100 5.375 247 HG12 ILE 33 HG12 ILE 33 8.626 21.462 5.955 248 HG13 ILE 33 HG13 ILE 33 10.249 20.931 6.380 249 HG21 ILE 33 HG21 ILE 33 11.514 19.803 4.769 250 HG22 ILE 33 HG22 ILE 33 10.749 18.282 4.311 251 HG23 ILE 33 HG23 ILE 33 10.803 19.622 3.165 252 HD11 ILE 33 HD11 ILE 33 10.380 21.951 3.760 253 HD12 ILE 33 HD12 ILE 33 9.447 23.096 4.723 254 HD13 ILE 33 HD13 ILE 33 11.068 22.629 5.236 255 H LEU 34 H LEU 34 6.784 19.717 1.671 256 HA LEU 34 HA LEU 34 6.784 16.809 1.959 257 HB2 LEU 34 HB2 LEU 34 5.071 18.636 0.282 258 HB3 LEU 34 HB3 LEU 34 4.893 16.885 0.373 259 HG LEU 34 HG LEU 34 4.604 18.679 2.773 260 HD11 LEU 34 HD11 LEU 34 2.153 17.588 1.640 261 HD12 LEU 34 HD12 LEU 34 2.504 19.209 2.242 262 HD13 LEU 34 HD13 LEU 34 2.942 18.766 0.591 263 HD21 LEU 34 HD21 LEU 34 3.289 16.032 2.423 264 HD22 LEU 34 HD22 LEU 34 5.011 16.078 2.802 265 HD23 LEU 34 HD23 LEU 34 3.848 16.832 3.892 266 H TRP 35 H TRP 35 8.131 15.641 0.777 267 HA TRP 35 HA TRP 35 9.273 16.776 -1.660 268 HB2 TRP 35 HB2 TRP 35 10.048 14.598 0.224 269 HB3 TRP 35 HB3 TRP 35 10.595 14.478 -1.446 270 HD1 TRP 35 HD1 TRP 35 10.361 17.907 0.210 271 HE1 TRP 35 HE1 TRP 35 12.739 18.845 0.513 272 HE3 TRP 35 HE3 TRP 35 13.043 13.763 -1.121 273 HZ2 TRP 35 HZ2 TRP 35 15.399 17.947 0.225 274 HZ3 TRP 35 HZ3 TRP 35 15.500 13.886 -1.081 275 HH2 TRP 35 HH2 TRP 35 16.652 15.936 -0.422 276 H LYS 36 H LYS 36 9.547 15.328 -3.554 277 HA LYS 36 HA LYS 36 7.282 13.470 -3.857 278 HB2 LYS 36 HB2 LYS 36 8.029 15.828 -5.480 279 HB3 LYS 36 HB3 LYS 36 7.586 14.387 -6.386 280 HG2 LYS 36 HG2 LYS 36 5.534 14.384 -4.743 281 HG3 LYS 36 HG3 LYS 36 5.928 16.099 -4.612 282 HD2 LYS 36 HD2 LYS 36 5.960 15.194 -7.364 283 HD3 LYS 36 HD3 LYS 36 4.402 14.889 -6.593 284 HE2 LYS 36 HE2 LYS 36 4.369 17.258 -5.852 285 HE3 LYS 36 HE3 LYS 36 5.854 17.527 -6.764 286 HZ1 LYS 36 HZ1 LYS 36 3.308 16.573 -7.955 287 HZ2 LYS 36 HZ2 LYS 36 3.825 18.184 -7.972 288 HZ3 LYS 36 HZ3 LYS 36 4.717 17.000 -8.788 289 H CYS 37 H CYS 37 7.638 11.638 -5.078 290 HA CYS 37 HA CYS 37 10.344 10.753 -5.266 291 HB2 CYS 37 HB2 CYS 37 7.809 9.475 -6.314 292 HB3 CYS 37 HB3 CYS 37 9.374 8.680 -6.174 293 H THR 38 H THR 38 11.405 9.987 -7.190 294 HA THR 38 HA THR 38 10.423 11.036 -9.732 295 HB THR 38 HB THR 38 13.229 11.665 -8.814 296 HG1 THR 38 HG1 THR 38 10.908 13.323 -8.807 297 HG21 THR 38 HG21 THR 38 11.580 12.282 -11.230 298 HG22 THR 38 HG22 THR 38 12.828 13.416 -10.716 299 HG23 THR 38 HG23 THR 38 13.260 11.756 -11.123 300 H ARG 39 H ARG 39 11.182 9.948 -11.529 301 HA ARG 39 HA ARG 39 12.080 7.290 -11.117 302 HB2 ARG 39 HB2 ARG 39 10.978 8.799 -13.245 303 HB3 ARG 39 HB3 ARG 39 12.492 8.123 -13.830 304 HG2 ARG 39 HG2 ARG 39 10.659 6.308 -12.373 305 HG3 ARG 39 HG3 ARG 39 10.195 6.818 -13.998 306 HD2 ARG 39 HD2 ARG 39 12.796 6.178 -14.388 307 HD3 ARG 39 HD3 ARG 39 12.366 5.039 -13.113 308 HE ARG 39 HE ARG 39 10.485 5.117 -15.287 309 HH11 ARG 39 HH11 ARG 39 13.440 3.711 -14.098 310 HH12 ARG 39 HH12 ARG 39 13.307 2.285 -15.073 311 HH21 ARG 39 HH21 ARG 39 10.299 3.244 -16.576 312 HH22 ARG 39 HH22 ARG 39 11.521 2.021 -16.483 313 H ALA 40 H ALA 40 14.078 6.953 -10.346 314 HA ALA 40 HA ALA 40 16.315 8.563 -10.675 315 HB1 ALA 40 HB1 ALA 40 17.286 5.948 -10.437 316 HB2 ALA 40 HB2 ALA 40 17.008 7.113 -9.143 317 HB3 ALA 40 HB3 ALA 40 15.743 5.967 -9.584 318 H ARG 41 H ARG 41 18.421 7.610 -11.723 319 HA ARG 41 HA ARG 41 17.948 6.367 -14.304 320 HB2 ARG 41 HB2 ARG 41 17.602 8.841 -14.620 321 HB3 ARG 41 HB3 ARG 41 19.284 9.071 -14.159 322 HG2 ARG 41 HG2 ARG 41 19.474 9.055 -16.431 323 HG3 ARG 41 HG3 ARG 41 19.718 7.342 -16.083 324 HD2 ARG 41 HD2 ARG 41 17.607 6.756 -16.833 325 HD3 ARG 41 HD3 ARG 41 16.968 8.384 -16.611 326 HE ARG 41 HE ARG 41 18.886 8.620 -18.559 327 HH11 ARG 41 HH11 ARG 41 15.964 6.776 -18.132 328 HH12 ARG 41 HH12 ARG 41 15.602 6.712 -19.825 329 HH21 ARG 41 HH21 ARG 41 18.420 8.542 -20.790 330 HH22 ARG 41 HH22 ARG 41 17.000 7.716 -21.336 331 H LYS 42 H LYS 42 19.307 4.701 -13.901 332 HA LYS 42 HA LYS 42 21.868 5.062 -12.657 333 HB2 LYS 42 HB2 LYS 42 20.454 2.987 -12.471 334 HB3 LYS 42 HB3 LYS 42 20.858 2.635 -14.146 335 HG2 LYS 42 HG2 LYS 42 23.312 2.830 -13.328 336 HG3 LYS 42 HG3 LYS 42 22.608 2.583 -11.729 337 HD2 LYS 42 HD2 LYS 42 22.102 0.753 -14.069 338 HD3 LYS 42 HD3 LYS 42 23.396 0.497 -12.896 339 HE2 LYS 42 HE2 LYS 42 20.544 0.845 -12.031 340 HE3 LYS 42 HE3 LYS 42 21.162 -0.726 -12.539 341 HZ1 LYS 42 HZ1 LYS 42 21.757 -0.929 -10.411 342 HZ2 LYS 42 HZ2 LYS 42 23.040 0.105 -10.794 343 HZ3 LYS 42 HZ3 LYS 42 21.630 0.729 -10.097 Start of MODEL 9 1 H1 GLY 1 H GLY 1 3.053 -0.838 0.493 2 HA2 GLY 1 HA2 GLY 1 1.768 -0.251 -2.099 3 HA3 GLY 1 HA3 GLY 1 1.132 0.413 -0.601 4 H CYS 2 H CYS 2 4.400 0.109 -1.998 5 HA CYS 2 HA CYS 2 5.439 2.439 -0.923 6 HB2 CYS 2 HB2 CYS 2 7.037 2.351 -2.912 7 HB3 CYS 2 HB3 CYS 2 6.964 0.916 -1.894 8 H LYS 3 H LYS 3 6.275 4.293 -2.437 9 HA LYS 3 HA LYS 3 3.895 5.585 -3.475 10 HB2 LYS 3 HB2 LYS 3 6.666 6.760 -3.437 11 HB3 LYS 3 HB3 LYS 3 5.122 7.603 -3.410 12 HG2 LYS 3 HG2 LYS 3 6.311 5.963 -1.182 13 HG3 LYS 3 HG3 LYS 3 6.165 7.721 -1.242 14 HD2 LYS 3 HD2 LYS 3 3.719 7.503 -1.298 15 HD3 LYS 3 HD3 LYS 3 3.880 5.748 -1.212 16 HE2 LYS 3 HE2 LYS 3 4.697 5.817 0.979 17 HE3 LYS 3 HE3 LYS 3 5.099 7.530 0.870 18 HZ1 LYS 3 HZ1 LYS 3 3.001 6.783 2.158 19 HZ2 LYS 3 HZ2 LYS 3 2.922 8.152 1.167 20 HZ3 LYS 3 HZ3 LYS 3 2.295 6.678 0.624 21 H LYS 4 H LYS 4 3.607 6.317 -5.569 22 HA LYS 4 HA LYS 4 5.137 4.877 -7.587 23 HB2 LYS 4 HB2 LYS 4 2.755 6.658 -8.072 24 HB3 LYS 4 HB3 LYS 4 3.366 5.361 -9.091 25 HG2 LYS 4 HG2 LYS 4 2.799 3.826 -7.103 26 HG3 LYS 4 HG3 LYS 4 1.816 5.180 -6.539 27 HD2 LYS 4 HD2 LYS 4 1.562 4.081 -9.325 28 HD3 LYS 4 HD3 LYS 4 0.663 3.400 -7.967 29 HE2 LYS 4 HE2 LYS 4 0.591 6.310 -8.746 30 HE3 LYS 4 HE3 LYS 4 -0.582 5.116 -9.298 31 HZ1 LYS 4 HZ1 LYS 4 -0.156 6.165 -6.577 32 HZ2 LYS 4 HZ2 LYS 4 -1.595 6.043 -7.458 33 HZ3 LYS 4 HZ3 LYS 4 -0.884 4.654 -6.803 34 H LEU 5 H LEU 5 5.032 6.399 -9.783 35 HA LEU 5 HA LEU 5 7.174 8.177 -9.485 36 HB2 LEU 5 HB2 LEU 5 6.715 7.135 -11.598 37 HB3 LEU 5 HB3 LEU 5 5.132 7.905 -11.683 38 HG LEU 5 HG LEU 5 6.443 10.120 -11.728 39 HD11 LEU 5 HD11 LEU 5 8.614 9.458 -11.127 40 HD12 LEU 5 HD12 LEU 5 8.617 8.122 -12.278 41 HD13 LEU 5 HD13 LEU 5 8.694 9.785 -12.858 42 HD21 LEU 5 HD21 LEU 5 5.329 8.639 -13.654 43 HD22 LEU 5 HD22 LEU 5 6.179 10.150 -13.979 44 HD23 LEU 5 HD23 LEU 5 7.002 8.607 -14.209 45 H ASN 6 H ASN 6 7.319 10.295 -9.040 46 HA ASN 6 HA ASN 6 6.740 12.412 -8.445 47 HB2 ASN 6 HB2 ASN 6 4.454 11.727 -10.282 48 HB3 ASN 6 HB3 ASN 6 4.543 13.286 -9.468 49 HD21 ASN 6 HD21 ASN 6 5.171 11.790 -12.269 50 HD22 ASN 6 HD22 ASN 6 6.464 12.771 -12.862 51 H SER 7 H SER 7 5.861 10.018 -6.891 52 HA SER 7 HA SER 7 3.393 10.893 -5.633 53 HB2 SER 7 HB2 SER 7 5.206 8.523 -5.138 54 HB3 SER 7 HB3 SER 7 3.753 8.853 -4.194 55 HG SER 7 HG SER 7 3.620 8.727 -7.001 56 H TYR 8 H TYR 8 3.204 11.773 -3.625 57 HA TYR 8 HA TYR 8 5.336 13.275 -2.593 58 HB2 TYR 8 HB2 TYR 8 2.603 12.561 -1.602 59 HB3 TYR 8 HB3 TYR 8 3.732 13.357 -0.511 60 HD1 TYR 8 HD1 TYR 8 3.344 13.910 -4.164 61 HD2 TYR 8 HD2 TYR 8 2.767 15.479 -0.252 62 HE1 TYR 8 HE1 TYR 8 2.739 16.088 -5.134 63 HE2 TYR 8 HE2 TYR 8 2.158 17.661 -1.211 64 HH TYR 8 HH TYR 8 2.404 18.281 -4.669 65 H CYS 9 H CYS 9 6.716 12.986 -0.889 66 HA CYS 9 HA CYS 9 6.520 10.749 0.891 67 HB2 CYS 9 HB2 CYS 9 8.611 9.648 0.215 68 HB3 CYS 9 HB3 CYS 9 7.416 9.598 -1.077 69 H THR 10 H THR 10 9.001 10.555 1.889 70 HA THR 10 HA THR 10 9.836 13.314 2.489 71 HB THR 10 HB THR 10 9.988 11.280 4.663 72 HG1 THR 10 HG1 THR 10 7.809 11.937 5.271 73 HG21 THR 10 HG21 THR 10 10.957 13.418 5.106 74 HG22 THR 10 HG22 THR 10 9.522 14.257 4.517 75 HG23 THR 10 HG23 THR 10 9.449 13.331 6.016 76 H ARG 11 H ARG 11 12.023 13.601 3.034 77 HA ARG 11 HA ARG 11 13.804 11.757 1.766 78 HB2 ARG 11 HB2 ARG 11 14.143 14.212 1.728 79 HB3 ARG 11 HB3 ARG 11 14.445 14.178 3.460 80 HG2 ARG 11 HG2 ARG 11 16.329 12.538 2.915 81 HG3 ARG 11 HG3 ARG 11 16.127 13.068 1.244 82 HD2 ARG 11 HD2 ARG 11 17.061 15.078 1.636 83 HD3 ARG 11 HD3 ARG 11 16.297 15.235 3.218 84 HE ARG 11 HE ARG 11 18.210 14.429 4.166 85 HH11 ARG 11 HH11 ARG 11 18.190 13.578 0.790 86 HH12 ARG 11 HH12 ARG 11 19.797 12.931 0.810 87 HH21 ARG 11 HH21 ARG 11 20.326 13.580 4.205 88 HH22 ARG 11 HH22 ARG 11 21.011 12.931 2.753 89 H GLN 12 H GLN 12 12.675 12.245 4.985 90 HA GLN 12 HA GLN 12 14.849 11.072 6.379 91 HB2 GLN 12 HB2 GLN 12 11.960 11.551 7.073 92 HB3 GLN 12 HB3 GLN 12 13.046 10.718 8.178 93 HG2 GLN 12 HG2 GLN 12 13.605 13.454 7.069 94 HG3 GLN 12 HG3 GLN 12 12.744 13.174 8.582 95 HE21 GLN 12 HE21 GLN 12 14.073 11.228 9.794 96 HE22 GLN 12 HE22 GLN 12 15.715 11.671 10.094 97 H HIS 13 H HIS 13 11.943 9.787 4.881 98 HA HIS 13 HA HIS 13 13.062 7.104 5.087 99 HB2 HIS 13 HB2 HIS 13 10.403 7.933 6.229 100 HB3 HIS 13 HB3 HIS 13 10.713 6.271 5.736 101 HD1 HIS 13 HD1 HIS 13 11.803 4.807 7.427 102 HD2 HIS 13 HD2 HIS 13 12.254 8.839 8.322 103 HE1 HIS 13 HE1 HIS 13 12.890 4.874 9.693 104 H ARG 14 H ARG 14 13.377 7.249 2.848 105 HA ARG 14 HA ARG 14 11.389 7.972 0.992 106 HB2 ARG 14 HB2 ARG 14 13.688 6.070 0.520 107 HB3 ARG 14 HB3 ARG 14 12.827 7.013 -0.689 108 HG2 ARG 14 HG2 ARG 14 14.196 8.727 -0.403 109 HG3 ARG 14 HG3 ARG 14 13.879 8.750 1.333 110 HD2 ARG 14 HD2 ARG 14 15.641 7.267 1.785 111 HD3 ARG 14 HD3 ARG 14 15.765 6.768 0.098 112 HE ARG 14 HE ARG 14 16.322 9.557 0.540 113 HH11 ARG 14 HH11 ARG 14 17.646 6.338 0.460 114 HH12 ARG 14 HH12 ARG 14 19.265 6.871 0.153 115 HH21 ARG 14 HH21 ARG 14 18.450 10.271 0.137 116 HH22 ARG 14 HH22 ARG 14 19.722 9.109 -0.029 117 H GLU 15 H GLU 15 9.566 6.966 0.496 118 HA GLU 15 HA GLU 15 9.413 4.051 0.899 119 HB2 GLU 15 HB2 GLU 15 7.941 5.587 2.324 120 HB3 GLU 15 HB3 GLU 15 7.050 5.917 0.846 121 HG2 GLU 15 HG2 GLU 15 6.044 4.163 2.286 122 HG3 GLU 15 HG3 GLU 15 6.390 3.643 0.638 123 H CYS 16 H CYS 16 10.131 5.873 -1.488 124 HA CYS 16 HA CYS 16 8.103 5.509 -3.435 125 HB2 CYS 16 HB2 CYS 16 11.058 5.860 -3.958 126 HB3 CYS 16 HB3 CYS 16 9.726 6.264 -5.035 127 H CYS 17 H CYS 17 7.982 4.042 -5.153 128 HA CYS 17 HA CYS 17 8.658 1.373 -4.524 129 HB2 CYS 17 HB2 CYS 17 7.657 2.658 -7.066 130 HB3 CYS 17 HB3 CYS 17 7.894 0.921 -6.899 131 H HIS 18 H HIS 18 9.907 -0.089 -5.956 132 HA HIS 18 HA HIS 18 12.576 0.636 -6.117 133 HB2 HIS 18 HB2 HIS 18 12.823 -1.378 -7.603 134 HB3 HIS 18 HB3 HIS 18 11.980 -1.685 -6.088 135 HD1 HIS 18 HD1 HIS 18 9.544 -2.426 -6.224 136 HD2 HIS 18 HD2 HIS 18 11.195 -1.495 -9.921 137 HE1 HIS 18 HE1 HIS 18 7.886 -3.247 -7.926 138 H GLY 19 H GLY 19 13.772 1.751 -7.527 139 HA2 GLY 19 HA2 GLY 19 14.395 2.291 -9.794 140 HA3 GLY 19 HA3 GLY 19 12.696 2.197 -10.234 141 H LEU 20 H LEU 20 11.844 3.726 -7.875 142 HA LEU 20 HA LEU 20 12.426 6.377 -8.951 143 HB2 LEU 20 HB2 LEU 20 10.427 5.638 -6.825 144 HB3 LEU 20 HB3 LEU 20 10.502 7.134 -7.755 145 HG LEU 20 HG LEU 20 10.053 4.545 -9.175 146 HD11 LEU 20 HD11 LEU 20 8.449 4.455 -7.376 147 HD12 LEU 20 HD12 LEU 20 7.950 6.116 -7.695 148 HD13 LEU 20 HD13 LEU 20 7.624 4.854 -8.882 149 HD21 LEU 20 HD21 LEU 20 8.464 6.737 -10.051 150 HD22 LEU 20 HD22 LEU 20 10.124 7.294 -9.845 151 HD23 LEU 20 HD23 LEU 20 9.779 5.919 -10.894 152 H VAL 21 H VAL 21 12.493 8.178 -7.245 153 HA VAL 21 HA VAL 21 13.856 7.393 -4.789 154 HB VAL 21 HB VAL 21 15.696 8.996 -5.165 155 HG11 VAL 21 HG11 VAL 21 15.409 6.766 -7.170 156 HG12 VAL 21 HG12 VAL 21 16.917 7.629 -6.868 157 HG13 VAL 21 HG13 VAL 21 16.164 6.691 -5.578 158 HG21 VAL 21 HG21 VAL 21 15.392 10.543 -6.744 159 HG22 VAL 21 HG22 VAL 21 15.812 9.290 -7.912 160 HG23 VAL 21 HG23 VAL 21 14.120 9.605 -7.526 161 H CYS 22 H CYS 22 13.481 8.754 -3.116 162 HA CYS 22 HA CYS 22 11.467 10.762 -3.441 163 HB2 CYS 22 HB2 CYS 22 11.808 9.221 -1.424 164 HB3 CYS 22 HB3 CYS 22 13.113 10.308 -0.957 165 H ARG 23 H ARG 23 11.886 12.719 -4.210 166 HA ARG 23 HA ARG 23 14.298 14.109 -3.266 167 HB2 ARG 23 HB2 ARG 23 13.259 13.940 -6.092 168 HB3 ARG 23 HB3 ARG 23 14.378 15.191 -5.567 169 HG2 ARG 23 HG2 ARG 23 15.072 12.342 -5.061 170 HG3 ARG 23 HG3 ARG 23 15.240 12.992 -6.693 171 HD2 ARG 23 HD2 ARG 23 16.536 14.907 -5.580 172 HD3 ARG 23 HD3 ARG 23 16.629 13.847 -4.174 173 HE ARG 23 HE ARG 23 17.486 12.457 -6.471 174 HH11 ARG 23 HH11 ARG 23 18.488 14.993 -4.306 175 HH12 ARG 23 HH12 ARG 23 20.180 14.714 -4.554 176 HH21 ARG 23 HH21 ARG 23 19.711 12.080 -6.805 177 HH22 ARG 23 HH22 ARG 23 20.874 13.058 -5.976 178 H ARG 24 H ARG 24 14.004 16.551 -4.261 179 HA ARG 24 HA ARG 24 12.213 17.839 -2.643 180 HB2 ARG 24 HB2 ARG 24 13.812 18.553 -4.976 181 HB3 ARG 24 HB3 ARG 24 12.342 19.509 -4.848 182 HG2 ARG 24 HG2 ARG 24 14.110 20.667 -3.735 183 HG3 ARG 24 HG3 ARG 24 12.975 20.077 -2.519 184 HD2 ARG 24 HD2 ARG 24 14.465 18.138 -2.134 185 HD3 ARG 24 HD3 ARG 24 15.616 18.833 -3.275 186 HE ARG 24 HE ARG 24 14.902 20.606 -1.129 187 HH11 ARG 24 HH11 ARG 24 17.020 18.032 -2.132 188 HH12 ARG 24 HH12 ARG 24 18.266 18.439 -0.999 189 HH21 ARG 24 HH21 ARG 24 16.534 21.153 0.367 190 HH22 ARG 24 HH22 ARG 24 17.988 20.214 0.423 191 HA PRO 25 HA PRO 25 8.163 17.568 -4.305 192 HB2 PRO 25 HB2 PRO 25 7.231 20.112 -4.126 193 HB3 PRO 25 HB3 PRO 25 7.484 19.080 -2.713 194 HG2 PRO 25 HG2 PRO 25 9.240 21.235 -3.823 195 HG3 PRO 25 HG3 PRO 25 8.820 20.893 -2.135 196 HD2 PRO 25 HD2 PRO 25 11.175 20.132 -3.233 197 HD3 PRO 25 HD3 PRO 25 10.365 19.192 -1.963 198 H ASP 26 H ASP 26 6.656 18.376 -5.989 199 HA ASP 26 HA ASP 26 8.126 18.948 -8.423 200 HB2 ASP 26 HB2 ASP 26 5.618 17.675 -7.735 201 HB3 ASP 26 HB3 ASP 26 5.390 18.857 -9.021 202 H TYR 27 H TYR 27 4.951 20.185 -7.425 203 HA TYR 27 HA TYR 27 5.816 22.854 -8.315 204 HB2 TYR 27 HB2 TYR 27 3.948 21.858 -9.595 205 HB3 TYR 27 HB3 TYR 27 3.007 21.745 -8.112 206 HD1 TYR 27 HD1 TYR 27 1.725 23.566 -7.367 207 HD2 TYR 27 HD2 TYR 27 4.646 24.167 -10.402 208 HE1 TYR 27 HE1 TYR 27 0.867 25.841 -7.733 209 HE2 TYR 27 HE2 TYR 27 3.797 26.445 -10.775 210 HH TYR 27 HH TYR 27 1.010 27.514 -10.024 211 H GLY 28 H GLY 28 4.943 21.026 -5.603 212 HA2 GLY 28 HA2 GLY 28 4.667 21.579 -3.392 213 HA3 GLY 28 HA3 GLY 28 5.343 23.149 -3.799 214 H ILE 29 H ILE 29 3.324 22.790 -1.892 215 HA ILE 29 HA ILE 29 1.007 24.013 -3.243 216 HB ILE 29 HB ILE 29 -0.378 23.218 -1.369 217 HG12 ILE 29 HG12 ILE 29 1.434 21.201 -0.371 218 HG13 ILE 29 HG13 ILE 29 2.109 22.808 -0.124 219 HG21 ILE 29 HG21 ILE 29 -0.649 21.050 -2.169 220 HG22 ILE 29 HG22 ILE 29 0.122 21.888 -3.516 221 HG23 ILE 29 HG23 ILE 29 1.077 20.840 -2.466 222 HD11 ILE 29 HD11 ILE 29 -0.655 21.993 0.731 223 HD12 ILE 29 HD12 ILE 29 0.765 21.952 1.776 224 HD13 ILE 29 HD13 ILE 29 0.194 23.488 1.125 225 H GLY 30 H GLY 30 3.225 25.554 -2.498 226 HA2 GLY 30 HA2 GLY 30 3.434 27.685 -1.592 227 HA3 GLY 30 HA3 GLY 30 1.925 27.434 -0.726 228 H ARG 31 H ARG 31 2.492 25.153 0.716 229 HA ARG 31 HA ARG 31 4.896 25.780 2.267 230 HB2 ARG 31 HB2 ARG 31 2.125 25.487 3.440 231 HB3 ARG 31 HB3 ARG 31 3.610 25.571 4.378 232 HG2 ARG 31 HG2 ARG 31 3.574 27.782 4.336 233 HG3 ARG 31 HG3 ARG 31 3.468 27.794 2.574 234 HD2 ARG 31 HD2 ARG 31 0.987 27.279 2.899 235 HD3 ARG 31 HD3 ARG 31 1.239 27.724 4.587 236 HE ARG 31 HE ARG 31 2.212 29.728 2.815 237 HH11 ARG 31 HH11 ARG 31 -0.689 28.438 4.243 238 HH12 ARG 31 HH12 ARG 31 -1.562 29.931 4.135 239 HH21 ARG 31 HH21 ARG 31 1.073 31.699 2.667 240 HH22 ARG 31 HH22 ARG 31 -0.559 31.784 3.237 241 H GLY 32 H GLY 32 4.819 24.018 4.244 242 HA2 GLY 32 HA2 GLY 32 4.839 21.780 4.837 243 HA3 GLY 32 HA3 GLY 32 3.873 21.431 3.411 244 H ILE 33 H ILE 33 6.549 20.470 4.745 245 HA ILE 33 HA ILE 33 8.306 20.675 2.422 246 HB ILE 33 HB ILE 33 8.895 19.256 5.015 247 HG12 ILE 33 HG12 ILE 33 10.278 21.581 5.198 248 HG13 ILE 33 HG13 ILE 33 8.832 22.141 4.364 249 HG21 ILE 33 HG21 ILE 33 10.338 19.742 2.549 250 HG22 ILE 33 HG22 ILE 33 11.217 20.330 3.960 251 HG23 ILE 33 HG23 ILE 33 10.709 18.643 3.877 252 HD11 ILE 33 HD11 ILE 33 7.634 22.059 6.225 253 HD12 ILE 33 HD12 ILE 33 8.182 20.424 6.594 254 HD13 ILE 33 HD13 ILE 33 9.153 21.811 7.086 255 H LEU 34 H LEU 34 6.337 19.316 1.480 256 HA LEU 34 HA LEU 34 6.724 16.461 1.953 257 HB2 LEU 34 HB2 LEU 34 4.711 17.977 0.301 258 HB3 LEU 34 HB3 LEU 34 4.780 16.219 0.409 259 HG LEU 34 HG LEU 34 4.308 18.033 2.771 260 HD11 LEU 34 HD11 LEU 34 2.035 17.819 2.517 261 HD12 LEU 34 HD12 LEU 34 2.553 17.966 0.838 262 HD13 LEU 34 HD13 LEU 34 2.171 16.380 1.507 263 HD21 LEU 34 HD21 LEU 34 4.120 16.173 4.040 264 HD22 LEU 34 HD22 LEU 34 3.449 15.209 2.724 265 HD23 LEU 34 HD23 LEU 34 5.187 15.496 2.809 266 H TRP 35 H TRP 35 8.353 15.568 0.869 267 HA TRP 35 HA TRP 35 9.340 16.619 -1.601 268 HB2 TRP 35 HB2 TRP 35 10.066 14.431 0.251 269 HB3 TRP 35 HB3 TRP 35 10.515 14.183 -1.434 270 HD1 TRP 35 HD1 TRP 35 10.595 17.742 -0.132 271 HE1 TRP 35 HE1 TRP 35 13.043 18.513 0.065 272 HE3 TRP 35 HE3 TRP 35 12.925 13.267 -0.961 273 HZ2 TRP 35 HZ2 TRP 35 15.621 17.375 -0.110 274 HZ3 TRP 35 HZ3 TRP 35 15.385 13.195 -0.930 275 HH2 TRP 35 HH2 TRP 35 16.703 15.207 -0.513 276 H LYS 36 H LYS 36 9.648 15.171 -3.533 277 HA LYS 36 HA LYS 36 7.289 13.464 -3.970 278 HB2 LYS 36 HB2 LYS 36 8.026 15.905 -5.328 279 HB3 LYS 36 HB3 LYS 36 7.993 14.559 -6.459 280 HG2 LYS 36 HG2 LYS 36 5.685 14.150 -5.093 281 HG3 LYS 36 HG3 LYS 36 5.798 15.912 -5.068 282 HD2 LYS 36 HD2 LYS 36 6.217 15.786 -7.562 283 HD3 LYS 36 HD3 LYS 36 5.750 14.087 -7.463 284 HE2 LYS 36 HE2 LYS 36 3.576 14.735 -6.559 285 HE3 LYS 36 HE3 LYS 36 4.044 16.433 -6.633 286 HZ1 LYS 36 HZ1 LYS 36 2.857 14.915 -8.630 287 HZ2 LYS 36 HZ2 LYS 36 3.409 16.511 -8.738 288 HZ3 LYS 36 HZ3 LYS 36 4.435 15.231 -9.153 289 H CYS 37 H CYS 37 7.592 11.630 -5.187 290 HA CYS 37 HA CYS 37 10.293 10.671 -5.381 291 HB2 CYS 37 HB2 CYS 37 7.667 9.418 -6.211 292 HB3 CYS 37 HB3 CYS 37 9.222 8.592 -6.233 293 H THR 38 H THR 38 11.445 10.147 -7.223 294 HA THR 38 HA THR 38 10.308 10.934 -9.809 295 HB THR 38 HB THR 38 11.568 12.880 -9.083 296 HG1 THR 38 HG1 THR 38 12.413 13.073 -11.023 297 HG21 THR 38 HG21 THR 38 13.874 12.823 -8.491 298 HG22 THR 38 HG22 THR 38 13.072 11.583 -7.526 299 HG23 THR 38 HG23 THR 38 14.015 11.125 -8.944 300 H ARG 39 H ARG 39 11.291 9.952 -11.627 301 HA ARG 39 HA ARG 39 12.205 7.305 -11.168 302 HB2 ARG 39 HB2 ARG 39 11.233 8.818 -13.364 303 HB3 ARG 39 HB3 ARG 39 12.786 8.144 -13.841 304 HG2 ARG 39 HG2 ARG 39 10.840 6.337 -12.519 305 HG3 ARG 39 HG3 ARG 39 10.523 6.830 -14.183 306 HD2 ARG 39 HD2 ARG 39 13.284 6.087 -13.855 307 HD3 ARG 39 HD3 ARG 39 12.226 4.791 -13.300 308 HE ARG 39 HE ARG 39 11.373 5.792 -15.814 309 HH11 ARG 39 HH11 ARG 39 13.791 3.784 -14.316 310 HH12 ARG 39 HH12 ARG 39 14.046 2.813 -15.728 311 HH21 ARG 39 HH21 ARG 39 11.700 4.520 -17.679 312 HH22 ARG 39 HH22 ARG 39 12.857 3.232 -17.640 313 H ALA 40 H ALA 40 14.151 7.013 -10.255 314 HA ALA 40 HA ALA 40 16.377 8.690 -10.515 315 HB1 ALA 40 HB1 ALA 40 17.209 5.992 -10.029 316 HB2 ALA 40 HB2 ALA 40 17.163 7.362 -8.920 317 HB3 ALA 40 HB3 ALA 40 15.740 6.339 -9.117 318 H ARG 41 H ARG 41 18.574 7.572 -11.287 319 HA ARG 41 HA ARG 41 18.264 6.206 -13.832 320 HB2 ARG 41 HB2 ARG 41 18.053 8.578 -14.434 321 HB3 ARG 41 HB3 ARG 41 19.583 8.919 -13.638 322 HG2 ARG 41 HG2 ARG 41 20.377 7.001 -15.340 323 HG3 ARG 41 HG3 ARG 41 19.041 7.695 -16.261 324 HD2 ARG 41 HD2 ARG 41 20.027 9.874 -16.172 325 HD3 ARG 41 HD3 ARG 41 21.269 9.320 -15.050 326 HE ARG 41 HE ARG 41 21.371 7.831 -17.453 327 HH11 ARG 41 HH11 ARG 41 22.141 10.957 -16.129 328 HH12 ARG 41 HH12 ARG 41 23.426 11.260 -17.251 329 HH21 ARG 41 HH21 ARG 41 23.061 8.218 -18.936 330 HH22 ARG 41 HH22 ARG 41 23.948 9.702 -18.848 331 H LYS 42 H LYS 42 19.498 4.504 -13.227 332 HA LYS 42 HA LYS 42 21.939 4.795 -11.759 333 HB2 LYS 42 HB2 LYS 42 20.425 2.784 -11.675 334 HB3 LYS 42 HB3 LYS 42 20.983 2.373 -13.291 335 HG2 LYS 42 HG2 LYS 42 23.060 2.830 -11.236 336 HG3 LYS 42 HG3 LYS 42 22.077 1.372 -11.081 337 HD2 LYS 42 HD2 LYS 42 23.475 2.159 -13.630 338 HD3 LYS 42 HD3 LYS 42 24.208 1.119 -12.406 339 HE2 LYS 42 HE2 LYS 42 21.640 0.584 -13.897 340 HE3 LYS 42 HE3 LYS 42 23.191 -0.204 -14.183 341 HZ1 LYS 42 HZ1 LYS 42 21.242 -0.663 -12.090 342 HZ2 LYS 42 HZ2 LYS 42 22.357 -1.728 -12.785 343 HZ3 LYS 42 HZ3 LYS 42 22.853 -0.655 -11.575 Start of MODEL 10 1 H1 GLY 1 H GLY 1 1.899 0.508 0.843 2 HA2 GLY 1 HA2 GLY 1 3.556 -1.332 0.240 3 HA3 GLY 1 HA3 GLY 1 3.060 -0.998 -1.413 4 H CYS 2 H CYS 2 3.958 0.684 -2.501 5 HA CYS 2 HA CYS 2 5.811 2.414 -1.002 6 HB2 CYS 2 HB2 CYS 2 7.227 2.360 -3.138 7 HB3 CYS 2 HB3 CYS 2 7.256 0.925 -2.118 8 H LYS 3 H LYS 3 6.557 4.269 -2.599 9 HA LYS 3 HA LYS 3 4.105 5.608 -3.396 10 HB2 LYS 3 HB2 LYS 3 6.884 6.758 -3.544 11 HB3 LYS 3 HB3 LYS 3 5.356 7.616 -3.400 12 HG2 LYS 3 HG2 LYS 3 6.694 5.947 -1.283 13 HG3 LYS 3 HG3 LYS 3 6.524 7.704 -1.304 14 HD2 LYS 3 HD2 LYS 3 4.068 7.429 -1.229 15 HD3 LYS 3 HD3 LYS 3 4.290 5.682 -1.112 16 HE2 LYS 3 HE2 LYS 3 3.934 6.518 1.094 17 HE3 LYS 3 HE3 LYS 3 5.635 6.075 0.958 18 HZ1 LYS 3 HZ1 LYS 3 5.306 8.215 2.073 19 HZ2 LYS 3 HZ2 LYS 3 6.204 8.380 0.648 20 HZ3 LYS 3 HZ3 LYS 3 4.574 8.835 0.679 21 H LYS 4 H LYS 4 3.653 6.370 -5.447 22 HA LYS 4 HA LYS 4 5.003 4.958 -7.605 23 HB2 LYS 4 HB2 LYS 4 2.626 6.789 -7.875 24 HB3 LYS 4 HB3 LYS 4 3.129 5.496 -8.956 25 HG2 LYS 4 HG2 LYS 4 2.682 3.935 -6.968 26 HG3 LYS 4 HG3 LYS 4 1.795 5.299 -6.284 27 HD2 LYS 4 HD2 LYS 4 0.534 5.379 -8.497 28 HD3 LYS 4 HD3 LYS 4 1.241 3.795 -8.829 29 HE2 LYS 4 HE2 LYS 4 0.016 2.756 -7.196 30 HE3 LYS 4 HE3 LYS 4 -0.120 4.216 -6.217 31 HZ1 LYS 4 HZ1 LYS 4 -1.445 4.292 -8.801 32 HZ2 LYS 4 HZ2 LYS 4 -2.116 3.232 -7.666 33 HZ3 LYS 4 HZ3 LYS 4 -1.962 4.877 -7.300 34 H LEU 5 H LEU 5 4.780 6.510 -9.759 35 HA LEU 5 HA LEU 5 6.960 8.257 -9.585 36 HB2 LEU 5 HB2 LEU 5 6.339 7.247 -11.674 37 HB3 LEU 5 HB3 LEU 5 4.769 8.048 -11.642 38 HG LEU 5 HG LEU 5 5.916 10.223 -11.909 39 HD11 LEU 5 HD11 LEU 5 8.054 9.785 -10.963 40 HD12 LEU 5 HD12 LEU 5 8.361 8.479 -12.107 41 HD13 LEU 5 HD13 LEU 5 8.299 10.149 -12.671 42 HD21 LEU 5 HD21 LEU 5 6.590 8.187 -14.030 43 HD22 LEU 5 HD22 LEU 5 5.039 9.008 -13.848 44 HD23 LEU 5 HD23 LEU 5 6.484 9.933 -14.256 45 H ASN 6 H ASN 6 7.158 10.332 -9.025 46 HA ASN 6 HA ASN 6 6.651 12.445 -8.353 47 HB2 ASN 6 HB2 ASN 6 4.385 11.848 -10.222 48 HB3 ASN 6 HB3 ASN 6 4.355 13.327 -9.267 49 HD21 ASN 6 HD21 ASN 6 6.892 11.533 -10.984 50 HD22 ASN 6 HD22 ASN 6 7.451 12.879 -11.911 51 H SER 7 H SER 7 5.779 10.041 -6.833 52 HA SER 7 HA SER 7 3.351 10.895 -5.494 53 HB2 SER 7 HB2 SER 7 5.183 8.523 -5.123 54 HB3 SER 7 HB3 SER 7 3.808 8.843 -4.066 55 HG SER 7 HG SER 7 2.448 8.364 -5.654 56 H TYR 8 H TYR 8 3.202 11.676 -3.425 57 HA TYR 8 HA TYR 8 5.366 13.195 -2.440 58 HB2 TYR 8 HB2 TYR 8 2.651 12.482 -1.389 59 HB3 TYR 8 HB3 TYR 8 3.806 13.297 -0.341 60 HD1 TYR 8 HD1 TYR 8 2.863 15.425 -0.080 61 HD2 TYR 8 HD2 TYR 8 3.284 13.794 -3.987 62 HE1 TYR 8 HE1 TYR 8 2.217 17.592 -1.048 63 HE2 TYR 8 HE2 TYR 8 2.641 15.957 -4.966 64 HH TYR 8 HH TYR 8 1.082 18.242 -3.512 65 H CYS 9 H CYS 9 6.780 12.870 -0.776 66 HA CYS 9 HA CYS 9 6.589 10.603 0.976 67 HB2 CYS 9 HB2 CYS 9 8.708 9.552 0.267 68 HB3 CYS 9 HB3 CYS 9 7.481 9.479 -0.994 69 H THR 10 H THR 10 9.078 10.402 1.957 70 HA THR 10 HA THR 10 9.803 13.160 2.707 71 HB THR 10 HB THR 10 10.549 12.030 4.924 72 HG1 THR 10 HG1 THR 10 8.445 10.241 4.331 73 HG21 THR 10 HG21 THR 10 7.590 12.285 4.388 74 HG22 THR 10 HG22 THR 10 8.421 12.496 5.930 75 HG23 THR 10 HG23 THR 10 8.671 13.658 4.626 76 H ARG 11 H ARG 11 11.951 13.661 2.841 77 HA ARG 11 HA ARG 11 13.776 11.996 1.422 78 HB2 ARG 11 HB2 ARG 11 13.993 14.388 1.251 79 HB3 ARG 11 HB3 ARG 11 14.173 14.544 2.993 80 HG2 ARG 11 HG2 ARG 11 16.295 13.294 2.854 81 HG3 ARG 11 HG3 ARG 11 16.121 13.251 1.098 82 HD2 ARG 11 HD2 ARG 11 17.154 15.216 1.008 83 HD3 ARG 11 HD3 ARG 11 15.768 15.929 1.831 84 HE ARG 11 HE ARG 11 17.083 16.173 3.672 85 HH11 ARG 11 HH11 ARG 11 18.424 13.642 1.694 86 HH12 ARG 11 HH12 ARG 11 19.813 13.411 2.703 87 HH21 ARG 11 HH21 ARG 11 18.907 15.878 5.009 88 HH22 ARG 11 HH22 ARG 11 20.086 14.682 4.589 89 H GLN 12 H GLN 12 12.867 12.254 4.708 90 HA GLN 12 HA GLN 12 15.327 11.228 5.799 91 HB2 GLN 12 HB2 GLN 12 12.598 11.768 6.946 92 HB3 GLN 12 HB3 GLN 12 13.845 10.955 7.882 93 HG2 GLN 12 HG2 GLN 12 15.297 12.872 7.686 94 HG3 GLN 12 HG3 GLN 12 14.129 13.682 6.643 95 HE21 GLN 12 HE21 GLN 12 14.205 15.408 8.188 96 HE22 GLN 12 HE22 GLN 12 13.266 15.314 9.636 97 H HIS 13 H HIS 13 12.266 9.939 4.716 98 HA HIS 13 HA HIS 13 13.343 7.235 5.036 99 HB2 HIS 13 HB2 HIS 13 10.711 8.229 6.110 100 HB3 HIS 13 HB3 HIS 13 10.966 6.528 5.732 101 HD1 HIS 13 HD1 HIS 13 10.500 7.837 8.627 102 HD2 HIS 13 HD2 HIS 13 14.098 6.507 7.032 103 HE1 HIS 13 HE1 HIS 13 11.968 7.337 10.606 104 H ARG 14 H ARG 14 13.675 7.341 2.766 105 HA ARG 14 HA ARG 14 11.654 7.931 0.896 106 HB2 ARG 14 HB2 ARG 14 14.005 6.078 0.485 107 HB3 ARG 14 HB3 ARG 14 13.110 6.947 -0.755 108 HG2 ARG 14 HG2 ARG 14 14.404 8.731 -0.532 109 HG3 ARG 14 HG3 ARG 14 14.147 8.772 1.213 110 HD2 ARG 14 HD2 ARG 14 16.513 8.528 0.687 111 HD3 ARG 14 HD3 ARG 14 15.900 7.094 1.510 112 HE ARG 14 HE ARG 14 15.763 6.766 -1.299 113 HH11 ARG 14 HH11 ARG 14 18.015 6.804 1.356 114 HH12 ARG 14 HH12 ARG 14 19.150 5.750 0.579 115 HH21 ARG 14 HH21 ARG 14 17.249 5.379 -2.333 116 HH22 ARG 14 HH22 ARG 14 18.714 4.941 -1.520 117 H GLU 15 H GLU 15 10.039 6.755 0.047 118 HA GLU 15 HA GLU 15 9.966 3.868 0.574 119 HB2 GLU 15 HB2 GLU 15 7.990 5.929 1.409 120 HB3 GLU 15 HB3 GLU 15 7.358 4.396 0.823 121 HG2 GLU 15 HG2 GLU 15 8.609 3.197 2.509 122 HG3 GLU 15 HG3 GLU 15 9.342 4.701 3.065 123 H CYS 16 H CYS 16 10.470 5.682 -1.785 124 HA CYS 16 HA CYS 16 8.247 5.407 -3.547 125 HB2 CYS 16 HB2 CYS 16 11.130 5.813 -4.348 126 HB3 CYS 16 HB3 CYS 16 9.687 6.277 -5.245 127 H CYS 17 H CYS 17 7.995 4.011 -5.313 128 HA CYS 17 HA CYS 17 8.744 1.329 -4.857 129 HB2 CYS 17 HB2 CYS 17 7.561 2.691 -7.281 130 HB3 CYS 17 HB3 CYS 17 7.784 0.949 -7.157 131 H HIS 18 H HIS 18 9.968 -0.064 -6.303 132 HA HIS 18 HA HIS 18 12.579 0.713 -6.686 133 HB2 HIS 18 HB2 HIS 18 11.520 -1.644 -6.764 134 HB3 HIS 18 HB3 HIS 18 11.292 -1.329 -8.482 135 HD1 HIS 18 HD1 HIS 18 12.990 -2.894 -9.455 136 HD2 HIS 18 HD2 HIS 18 14.581 -0.468 -6.481 137 HE1 HIS 18 HE1 HIS 18 15.471 -3.304 -9.509 138 H GLY 19 H GLY 19 13.662 1.869 -8.157 139 HA2 GLY 19 HA2 GLY 19 14.101 2.482 -10.447 140 HA3 GLY 19 HA3 GLY 19 12.374 2.386 -10.756 141 H LEU 20 H LEU 20 11.693 3.838 -8.298 142 HA LEU 20 HA LEU 20 12.223 6.528 -9.318 143 HB2 LEU 20 HB2 LEU 20 10.280 5.702 -7.172 144 HB3 LEU 20 HB3 LEU 20 10.341 7.243 -8.024 145 HG LEU 20 HG LEU 20 9.812 4.708 -9.526 146 HD11 LEU 20 HD11 LEU 20 7.347 5.385 -9.221 147 HD12 LEU 20 HD12 LEU 20 8.141 4.488 -7.927 148 HD13 LEU 20 HD13 LEU 20 7.914 6.231 -7.781 149 HD21 LEU 20 HD21 LEU 20 9.949 7.491 -10.120 150 HD22 LEU 20 HD22 LEU 20 9.640 6.139 -11.211 151 HD23 LEU 20 HD23 LEU 20 8.297 6.934 -10.389 152 H VAL 21 H VAL 21 12.320 8.260 -7.529 153 HA VAL 21 HA VAL 21 13.772 7.376 -5.158 154 HB VAL 21 HB VAL 21 15.508 9.189 -5.582 155 HG11 VAL 21 HG11 VAL 21 15.390 6.665 -7.213 156 HG12 VAL 21 HG12 VAL 21 16.824 7.688 -7.141 157 HG13 VAL 21 HG13 VAL 21 16.204 6.934 -5.672 158 HG21 VAL 21 HG21 VAL 21 15.864 10.012 -7.748 159 HG22 VAL 21 HG22 VAL 21 14.776 8.827 -8.472 160 HG23 VAL 21 HG23 VAL 21 14.122 10.150 -7.506 161 H CYS 22 H CYS 22 13.434 8.651 -3.412 162 HA CYS 22 HA CYS 22 11.374 10.616 -3.544 163 HB2 CYS 22 HB2 CYS 22 11.907 9.044 -1.595 164 HB3 CYS 22 HB3 CYS 22 13.211 10.159 -1.197 165 H ARG 23 H ARG 23 11.923 12.403 -4.700 166 HA ARG 23 HA ARG 23 14.281 13.913 -3.783 167 HB2 ARG 23 HB2 ARG 23 13.815 13.034 -6.316 168 HB3 ARG 23 HB3 ARG 23 13.094 14.637 -6.383 169 HG2 ARG 23 HG2 ARG 23 15.217 15.147 -7.008 170 HG3 ARG 23 HG3 ARG 23 15.378 15.331 -5.261 171 HD2 ARG 23 HD2 ARG 23 17.194 14.011 -5.688 172 HD3 ARG 23 HD3 ARG 23 15.979 12.769 -5.388 173 HE ARG 23 HE ARG 23 15.810 13.126 -8.052 174 HH11 ARG 23 HH11 ARG 23 18.497 12.565 -5.911 175 HH12 ARG 23 HH12 ARG 23 19.438 11.726 -7.101 176 HH21 ARG 23 HH21 ARG 23 17.039 12.024 -9.627 177 HH22 ARG 23 HH22 ARG 23 18.608 11.420 -9.214 178 H ARG 24 H ARG 24 13.985 16.356 -4.349 179 HA ARG 24 HA ARG 24 12.134 17.463 -2.658 180 HB2 ARG 24 HB2 ARG 24 13.816 18.461 -4.858 181 HB3 ARG 24 HB3 ARG 24 12.414 19.460 -4.497 182 HG2 ARG 24 HG2 ARG 24 13.275 19.167 -2.022 183 HG3 ARG 24 HG3 ARG 24 14.810 18.880 -2.845 184 HD2 ARG 24 HD2 ARG 24 13.116 21.340 -2.784 185 HD3 ARG 24 HD3 ARG 24 14.849 21.167 -2.508 186 HE ARG 24 HE ARG 24 14.617 20.492 -5.095 187 HH11 ARG 24 HH11 ARG 24 13.403 23.195 -3.269 188 HH12 ARG 24 HH12 ARG 24 13.441 24.288 -4.613 189 HH21 ARG 24 HH21 ARG 24 14.672 21.921 -6.872 190 HH22 ARG 24 HH22 ARG 24 14.162 23.562 -6.662 191 HA PRO 25 HA PRO 25 8.187 17.578 -4.570 192 HB2 PRO 25 HB2 PRO 25 7.335 20.121 -4.147 193 HB3 PRO 25 HB3 PRO 25 7.464 18.923 -2.853 194 HG2 PRO 25 HG2 PRO 25 9.358 21.118 -3.599 195 HG3 PRO 25 HG3 PRO 25 8.823 20.601 -1.990 196 HD2 PRO 25 HD2 PRO 25 11.214 19.874 -3.032 197 HD3 PRO 25 HD3 PRO 25 10.295 18.828 -1.931 198 H ASP 26 H ASP 26 6.749 19.002 -6.083 199 HA ASP 26 HA ASP 26 8.325 19.499 -8.464 200 HB2 ASP 26 HB2 ASP 26 6.253 19.505 -9.655 201 HB3 ASP 26 HB3 ASP 26 6.163 18.199 -8.476 202 H TYR 27 H TYR 27 6.318 21.296 -6.201 203 HA TYR 27 HA TYR 27 6.567 23.756 -7.703 204 HB2 TYR 27 HB2 TYR 27 4.680 22.841 -5.971 205 HB3 TYR 27 HB3 TYR 27 5.619 23.887 -4.911 206 HD1 TYR 27 HD1 TYR 27 3.584 23.790 -7.990 207 HD2 TYR 27 HD2 TYR 27 5.512 26.260 -5.111 208 HE1 TYR 27 HE1 TYR 27 2.398 25.750 -8.885 209 HE2 TYR 27 HE2 TYR 27 4.330 28.226 -5.998 210 HH TYR 27 HH TYR 27 2.206 27.973 -8.824 211 H GLY 28 H GLY 28 8.022 22.244 -4.893 212 HA2 GLY 28 HA2 GLY 28 10.342 22.820 -4.409 213 HA3 GLY 28 HA3 GLY 28 9.937 24.488 -4.784 214 H ILE 29 H ILE 29 8.081 25.365 -3.353 215 HA ILE 29 HA ILE 29 8.328 24.349 -0.609 216 HB ILE 29 HB ILE 29 8.569 26.615 0.274 217 HG12 ILE 29 HG12 ILE 29 7.469 27.679 -1.774 218 HG13 ILE 29 HG13 ILE 29 8.842 28.534 -1.081 219 HG21 ILE 29 HG21 ILE 29 10.598 25.518 -1.613 220 HG22 ILE 29 HG22 ILE 29 10.897 27.072 -0.835 221 HG23 ILE 29 HG23 ILE 29 10.639 25.630 0.146 222 HD11 ILE 29 HD11 ILE 29 9.794 26.726 -3.060 223 HD12 ILE 29 HD12 ILE 29 8.473 27.679 -3.736 224 HD13 ILE 29 HD13 ILE 29 9.873 28.487 -3.031 225 H GLY 30 H GLY 30 6.173 23.926 -2.337 226 HA2 GLY 30 HA2 GLY 30 4.093 25.763 -2.250 227 HA3 GLY 30 HA3 GLY 30 3.879 24.020 -2.313 228 H ARG 31 H ARG 31 4.376 22.949 -0.075 229 HA ARG 31 HA ARG 31 3.659 24.538 2.216 230 HB2 ARG 31 HB2 ARG 31 1.664 22.868 0.801 231 HB3 ARG 31 HB3 ARG 31 1.702 22.711 2.552 232 HG2 ARG 31 HG2 ARG 31 1.559 25.255 2.615 233 HG3 ARG 31 HG3 ARG 31 1.124 25.149 0.908 234 HD2 ARG 31 HD2 ARG 31 -0.763 23.707 1.472 235 HD3 ARG 31 HD3 ARG 31 -0.318 23.782 3.177 236 HE ARG 31 HE ARG 31 -0.680 26.392 2.205 237 HH11 ARG 31 HH11 ARG 31 -2.512 23.528 2.954 238 HH12 ARG 31 HH12 ARG 31 -3.964 24.397 3.328 239 HH21 ARG 31 HH21 ARG 31 -2.585 27.547 2.695 240 HH22 ARG 31 HH22 ARG 31 -4.004 26.683 3.180 241 H GLY 32 H GLY 32 4.711 23.736 3.912 242 HA2 GLY 32 HA2 GLY 32 5.831 22.276 5.285 243 HA3 GLY 32 HA3 GLY 32 4.782 21.022 4.640 244 H ILE 33 H ILE 33 7.106 20.068 5.198 245 HA ILE 33 HA ILE 33 8.903 20.324 2.913 246 HB ILE 33 HB ILE 33 10.395 18.811 4.227 247 HG12 ILE 33 HG12 ILE 33 8.889 19.294 6.713 248 HG13 ILE 33 HG13 ILE 33 8.132 18.152 5.608 249 HG21 ILE 33 HG21 ILE 33 9.490 21.302 5.664 250 HG22 ILE 33 HG22 ILE 33 11.051 20.503 5.849 251 HG23 ILE 33 HG23 ILE 33 10.619 21.248 4.310 252 HD11 ILE 33 HD11 ILE 33 10.728 17.952 7.054 253 HD12 ILE 33 HD12 ILE 33 9.419 16.778 6.918 254 HD13 ILE 33 HD13 ILE 33 10.490 17.067 5.547 255 H LEU 34 H LEU 34 6.783 19.279 1.860 256 HA LEU 34 HA LEU 34 6.903 16.365 2.006 257 HB2 LEU 34 HB2 LEU 34 5.029 18.199 0.519 258 HB3 LEU 34 HB3 LEU 34 4.913 16.441 0.550 259 HG LEU 34 HG LEU 34 4.649 18.213 2.977 260 HD11 LEU 34 HD11 LEU 34 2.856 18.381 1.130 261 HD12 LEU 34 HD12 LEU 34 2.396 16.759 1.648 262 HD13 LEU 34 HD13 LEU 34 2.340 18.099 2.793 263 HD21 LEU 34 HD21 LEU 34 4.613 16.352 4.193 264 HD22 LEU 34 HD22 LEU 34 3.463 15.583 3.099 265 HD23 LEU 34 HD23 LEU 34 5.193 15.493 2.765 266 H TRP 35 H TRP 35 8.386 15.421 0.773 267 HA TRP 35 HA TRP 35 9.257 16.663 -1.707 268 HB2 TRP 35 HB2 TRP 35 10.269 14.495 0.062 269 HB3 TRP 35 HB3 TRP 35 10.694 14.408 -1.645 270 HD1 TRP 35 HD1 TRP 35 10.432 17.807 0.078 271 HE1 TRP 35 HE1 TRP 35 12.780 18.854 0.202 272 HE3 TRP 35 HE3 TRP 35 13.186 13.816 -1.543 273 HZ2 TRP 35 HZ2 TRP 35 15.447 18.089 -0.320 274 HZ3 TRP 35 HZ3 TRP 35 15.630 14.057 -1.702 275 HH2 TRP 35 HH2 TRP 35 16.735 16.150 -1.103 276 H LYS 36 H LYS 36 9.424 15.393 -3.696 277 HA LYS 36 HA LYS 36 7.230 13.441 -3.945 278 HB2 LYS 36 HB2 LYS 36 7.894 15.840 -5.526 279 HB3 LYS 36 HB3 LYS 36 7.502 14.411 -6.474 280 HG2 LYS 36 HG2 LYS 36 5.430 14.246 -4.946 281 HG3 LYS 36 HG3 LYS 36 5.786 15.930 -4.554 282 HD2 LYS 36 HD2 LYS 36 5.953 15.646 -7.370 283 HD3 LYS 36 HD3 LYS 36 4.457 14.872 -6.841 284 HE2 LYS 36 HE2 LYS 36 4.360 17.130 -5.380 285 HE3 LYS 36 HE3 LYS 36 5.257 17.714 -6.781 286 HZ1 LYS 36 HZ1 LYS 36 2.883 18.009 -7.078 287 HZ2 LYS 36 HZ2 LYS 36 3.480 16.899 -8.207 288 HZ3 LYS 36 HZ3 LYS 36 2.618 16.353 -6.858 289 H CYS 37 H CYS 37 7.588 11.606 -5.136 290 HA CYS 37 HA CYS 37 10.318 10.807 -5.469 291 HB2 CYS 37 HB2 CYS 37 7.729 9.423 -6.201 292 HB3 CYS 37 HB3 CYS 37 9.322 8.679 -6.308 293 H THR 38 H THR 38 11.336 10.146 -7.408 294 HA THR 38 HA THR 38 10.095 10.949 -9.926 295 HB THR 38 HB THR 38 12.520 11.961 -10.430 296 HG1 THR 38 HG1 THR 38 12.089 12.760 -7.739 297 HG21 THR 38 HG21 THR 38 11.375 14.188 -9.411 298 HG22 THR 38 HG22 THR 38 10.907 13.460 -10.948 299 HG23 THR 38 HG23 THR 38 9.975 13.118 -9.490 300 H ARG 39 H ARG 39 10.776 9.783 -11.676 301 HA ARG 39 HA ARG 39 11.944 7.277 -11.262 302 HB2 ARG 39 HB2 ARG 39 10.786 8.706 -13.432 303 HB3 ARG 39 HB3 ARG 39 12.328 8.060 -13.980 304 HG2 ARG 39 HG2 ARG 39 11.275 5.912 -12.691 305 HG3 ARG 39 HG3 ARG 39 9.827 6.684 -13.340 306 HD2 ARG 39 HD2 ARG 39 12.209 6.313 -15.100 307 HD3 ARG 39 HD3 ARG 39 11.161 4.936 -14.763 308 HE ARG 39 HE ARG 39 9.586 7.124 -15.557 309 HH11 ARG 39 HH11 ARG 39 11.883 4.852 -16.854 310 HH12 ARG 39 HH12 ARG 39 11.230 4.908 -18.458 311 HH21 ARG 39 HH21 ARG 39 8.717 7.206 -17.664 312 HH22 ARG 39 HH22 ARG 39 9.430 6.248 -18.918 313 H ALA 40 H ALA 40 13.933 7.302 -10.304 314 HA ALA 40 HA ALA 40 16.187 7.811 -11.989 315 HB1 ALA 40 HB1 ALA 40 15.340 9.887 -10.164 316 HB2 ALA 40 HB2 ALA 40 16.972 9.329 -9.798 317 HB3 ALA 40 HB3 ALA 40 16.585 9.922 -11.413 318 H ARG 41 H ARG 41 18.287 7.612 -10.522 319 HA ARG 41 HA ARG 41 17.862 5.709 -8.348 320 HB2 ARG 41 HB2 ARG 41 19.519 4.141 -9.308 321 HB3 ARG 41 HB3 ARG 41 18.069 4.282 -10.293 322 HG2 ARG 41 HG2 ARG 41 19.521 6.109 -11.532 323 HG3 ARG 41 HG3 ARG 41 20.845 5.154 -10.861 324 HD2 ARG 41 HD2 ARG 41 19.939 3.147 -11.905 325 HD3 ARG 41 HD3 ARG 41 18.584 4.077 -12.543 326 HE ARG 41 HE ARG 41 21.191 3.884 -13.658 327 HH11 ARG 41 HH11 ARG 41 18.518 6.070 -13.212 328 HH12 ARG 41 HH12 ARG 41 18.887 7.015 -14.616 329 HH21 ARG 41 HH21 ARG 41 21.688 5.121 -15.509 330 HH22 ARG 41 HH22 ARG 41 20.690 6.474 -15.922 331 H LYS 42 H LYS 42 18.820 6.830 -6.759 332 HA LYS 42 HA LYS 42 21.169 8.423 -7.188 333 HB2 LYS 42 HB2 LYS 42 19.496 9.093 -5.539 334 HB3 LYS 42 HB3 LYS 42 19.765 7.608 -4.636 335 HG2 LYS 42 HG2 LYS 42 22.182 8.390 -4.403 336 HG3 LYS 42 HG3 LYS 42 21.595 9.962 -4.951 337 HD2 LYS 42 HD2 LYS 42 21.524 10.082 -2.608 338 HD3 LYS 42 HD3 LYS 42 19.855 9.766 -3.090 339 HE2 LYS 42 HE2 LYS 42 20.081 7.438 -2.539 340 HE3 LYS 42 HE3 LYS 42 21.806 7.633 -2.234 341 HZ1 LYS 42 HZ1 LYS 42 19.580 8.798 -0.653 342 HZ2 LYS 42 HZ2 LYS 42 20.652 7.586 -0.159 343 HZ3 LYS 42 HZ3 LYS 42 21.214 9.162 -0.405
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