NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
625664 | 5xa6 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H1 GLY 1 20.161 18.827 -4.017 2 HA2 GLY 1 HA2 GLY 1 20.287 19.344 -6.710 3 HA3 GLY 1 HA1 GLY 1 21.323 18.164 -5.913 4 H PHE 2 H PHE 2 21.354 16.670 -7.573 5 HA PHE 2 HA PHE 2 19.591 15.737 -9.319 6 HB2 PHE 2 HB2 PHE 2 21.758 14.647 -8.910 7 HB3 PHE 2 HB1 PHE 2 21.113 13.925 -7.437 8 HD1 PHE 2 HD1 PHE 2 19.940 14.340 -10.983 9 HD2 PHE 2 HD2 PHE 2 20.528 11.688 -7.655 10 HE1 PHE 2 HE1 PHE 2 19.002 12.466 -12.309 11 HE2 PHE 2 HE2 PHE 2 19.589 9.815 -8.981 12 HZ PHE 2 HZ PHE 2 18.826 10.204 -11.308 13 H GLY 3 H GLY 3 19.280 15.364 -5.858 14 HA2 GLY 3 HA2 GLY 3 16.479 14.605 -6.192 15 HA3 GLY 3 HA1 GLY 3 17.506 13.464 -5.333 16 H CYS 4 H CYS 4 16.713 13.655 -3.299 17 HA CYS 4 HA CYS 4 15.635 15.607 -1.858 18 HB2 CYS 4 HB2 CYS 4 17.554 14.799 -0.051 19 HB3 CYS 4 HB1 CYS 4 16.039 13.954 -0.374 20 HA PRO 5 HA PRO 5 15.795 16.411 0.171 21 HB2 PRO 5 HB2 PRO 5 15.332 18.855 1.243 22 HB3 PRO 5 HB1 PRO 5 16.687 17.834 1.760 23 HG2 PRO 5 HG2 PRO 5 16.682 20.231 0.022 24 HG3 PRO 5 HG1 PRO 5 17.915 19.653 1.153 25 HD2 PRO 5 HD2 PRO 5 17.962 19.316 -1.643 26 HD3 PRO 5 HD1 PRO 5 18.979 18.450 -0.472 27 H PHE 6 H PHE 6 15.741 17.600 -2.743 28 HA PHE 6 HA PHE 6 13.128 18.935 -2.658 29 HB2 PHE 6 HB2 PHE 6 15.037 18.478 -4.962 30 HB3 PHE 6 HB1 PHE 6 13.545 19.416 -5.036 31 HD1 PHE 6 HD1 PHE 6 17.040 19.417 -4.086 32 HD2 PHE 6 HD2 PHE 6 13.301 21.467 -3.570 33 HE1 PHE 6 HE1 PHE 6 18.250 21.410 -3.242 34 HE2 PHE 6 HE2 PHE 6 14.511 23.461 -2.726 35 HZ PHE 6 HZ PHE 6 16.986 23.432 -2.562 36 H ASN 7 H ASN 7 14.723 16.114 -4.120 37 HA ASN 7 HA ASN 7 12.068 14.862 -4.389 38 HB2 ASN 7 HB2 ASN 7 13.244 15.860 -6.576 39 HB3 ASN 7 HB1 ASN 7 14.072 14.305 -6.515 40 HD21 ASN 7 HD21 ASN 7 12.813 13.759 -8.531 41 HD22 ASN 7 HD22 ASN 7 11.204 13.242 -8.378 42 H GLN 8 H GLN 8 12.929 13.929 -2.335 43 HA GLN 8 HA GLN 8 15.177 12.260 -2.196 44 HB2 GLN 8 HB2 GLN 8 13.885 13.020 -0.230 45 HB3 GLN 8 HB1 GLN 8 12.550 11.977 -0.720 46 HG2 GLN 8 HG2 GLN 8 13.594 10.090 -0.003 47 HG3 GLN 8 HG1 GLN 8 15.171 10.629 -0.578 48 HE21 GLN 8 HE21 GLN 8 12.822 11.141 2.094 49 HE22 GLN 8 HE22 GLN 8 13.993 11.607 3.231 50 H GLY 9 H GLY 9 11.854 11.590 -3.201 51 HA2 GLY 9 HA2 GLY 9 11.923 8.820 -3.380 52 HA3 GLY 9 HA1 GLY 9 10.960 9.857 -4.420 53 H LYS 10 H LYS 10 13.018 11.235 -5.748 54 HA LYS 10 HA LYS 10 13.577 9.524 -7.876 55 HB2 LYS 10 HB2 LYS 10 13.691 12.077 -7.827 56 HB3 LYS 10 HB1 LYS 10 15.303 11.888 -7.137 57 HG2 LYS 10 HG2 LYS 10 15.712 12.047 -9.453 58 HG3 LYS 10 HG1 LYS 10 15.754 10.312 -9.144 59 HD2 LYS 10 HD2 LYS 10 13.564 9.994 -10.020 60 HD3 LYS 10 HD1 LYS 10 13.217 11.723 -9.984 61 HE2 LYS 10 HE2 LYS 10 13.719 11.451 -12.232 62 HE3 LYS 10 HE1 LYS 10 15.318 11.841 -11.600 63 HZ1 LYS 10 HZ1 LYS 10 16.045 9.867 -12.236 64 HZ2 LYS 10 HZ2 LYS 10 14.530 9.531 -12.928 65 HZ3 LYS 10 HZ3 LYS 10 14.852 9.080 -11.322 66 H CYS 11 H CYS 11 15.344 10.118 -4.919 67 HA CYS 11 HA CYS 11 17.467 8.277 -5.833 68 HB2 CYS 11 HB2 CYS 11 17.441 10.499 -3.800 69 HB3 CYS 11 HB1 CYS 11 18.678 9.242 -3.766 70 H HIS 12 H HIS 12 14.768 8.588 -3.765 71 HA HIS 12 HA HIS 12 15.731 6.434 -2.005 72 HB2 HIS 12 HB2 HIS 12 14.765 8.286 -0.802 73 HB3 HIS 12 HB1 HIS 12 13.323 8.253 -1.815 74 HD1 HIS 12 HD1 HIS 12 11.543 7.478 -0.198 75 HD2 HIS 12 HD2 HIS 12 14.957 5.090 -0.049 76 HE1 HIS 12 HE1 HIS 12 10.983 5.518 1.305 77 HE2 HIS 12 HE2 HIS 12 13.056 4.056 1.410 78 H ARG 13 H ARG 13 13.779 7.000 -4.742 79 HA ARG 13 HA ARG 13 12.224 4.545 -4.332 80 HB2 ARG 13 HB2 ARG 13 10.729 5.336 -5.898 81 HB3 ARG 13 HB1 ARG 13 11.349 6.866 -5.279 82 HG2 ARG 13 HG2 ARG 13 13.123 6.703 -7.140 83 HG3 ARG 13 HG1 ARG 13 12.104 5.444 -7.831 84 HD2 ARG 13 HD2 ARG 13 11.543 8.367 -7.514 85 HD3 ARG 13 HD1 ARG 13 11.246 7.319 -8.898 86 HE ARG 13 HE ARG 13 9.483 6.282 -7.268 87 HH11 ARG 13 HH11 ARG 13 7.475 7.082 -6.585 88 HH12 ARG 13 HH12 ARG 13 7.214 8.791 -6.488 89 HH21 ARG 13 HH21 ARG 13 10.409 9.608 -7.563 90 HH22 ARG 13 HH22 ARG 13 8.877 10.222 -7.041 91 H HIS 14 H HIS 14 14.707 5.965 -6.389 92 HA HIS 14 HA HIS 14 14.842 3.938 -8.340 93 HB2 HIS 14 HB2 HIS 14 16.000 5.929 -8.841 94 HB3 HIS 14 HB1 HIS 14 16.846 5.927 -7.290 95 HD1 HIS 14 HD1 HIS 14 19.247 5.442 -7.735 96 HD2 HIS 14 HD2 HIS 14 16.750 3.094 -10.108 97 HE1 HIS 14 HE1 HIS 14 20.758 3.889 -9.046 98 HE2 HIS 14 HE2 HIS 14 19.251 2.452 -10.499 99 H CYS 15 H CYS 15 16.676 4.369 -5.306 100 HA CYS 15 HA CYS 15 18.062 1.875 -5.566 101 HB2 CYS 15 HB2 CYS 15 18.426 4.096 -4.020 102 HB3 CYS 15 HB1 CYS 15 17.735 2.965 -2.850 103 H ARG 16 H ARG 16 15.265 2.969 -3.655 104 HA ARG 16 HA ARG 16 14.687 0.767 -2.151 105 HB2 ARG 16 HB2 ARG 16 13.263 2.711 -2.051 106 HB3 ARG 16 HB1 ARG 16 12.760 2.488 -3.727 107 HG2 ARG 16 HG2 ARG 16 11.351 0.743 -3.219 108 HG3 ARG 16 HG1 ARG 16 12.349 0.190 -1.873 109 HD2 ARG 16 HD2 ARG 16 11.594 2.074 -0.505 110 HD3 ARG 16 HD1 ARG 16 10.649 2.700 -1.852 111 HE ARG 16 HE ARG 16 9.642 0.206 -1.554 112 HH11 ARG 16 HH11 ARG 16 7.969 -0.339 -0.119 113 HH12 ARG 16 HH12 ARG 16 7.726 0.600 1.316 114 HH21 ARG 16 HH21 ARG 16 10.348 2.771 0.658 115 HH22 ARG 16 HH22 ARG 16 9.074 2.360 1.757 116 H SER 17 H SER 17 13.902 1.219 -5.590 117 HA SER 17 HA SER 17 12.519 -1.163 -6.033 118 HB2 SER 17 HB2 SER 17 14.155 0.655 -7.752 119 HB3 SER 17 HB1 SER 17 13.679 -0.912 -8.400 120 HG SER 17 HG SER 17 11.559 -0.373 -8.127 121 H ILE 18 H ILE 18 15.935 -0.529 -5.688 122 HA ILE 18 HA ILE 18 16.772 -3.141 -6.601 123 HB ILE 18 HB ILE 18 18.355 -1.131 -4.988 124 HG12 ILE 18 HG12 ILE 18 17.414 -0.024 -6.966 125 HG13 ILE 18 HG11 ILE 18 19.141 -0.298 -7.199 126 HG21 ILE 18 HG21 ILE 18 18.900 -3.703 -6.250 127 HG22 ILE 18 HG22 ILE 18 19.897 -2.774 -5.129 128 HG23 ILE 18 HG23 ILE 18 19.964 -2.435 -6.859 129 HD11 ILE 18 HD11 ILE 18 18.320 -1.092 -9.219 130 HD12 ILE 18 HD12 ILE 18 16.813 -1.661 -8.501 131 HD13 ILE 18 HD13 ILE 18 18.302 -2.575 -8.265 132 H ARG 19 H ARG 19 14.847 -2.686 -4.263 133 HA ARG 19 HA ARG 19 14.327 -3.942 -2.400 134 HB2 ARG 19 HB2 ARG 19 16.197 -5.526 -3.638 135 HB3 ARG 19 HB1 ARG 19 16.942 -5.235 -2.066 136 HG2 ARG 19 HG2 ARG 19 14.735 -5.867 -1.005 137 HG3 ARG 19 HG1 ARG 19 14.188 -6.372 -2.604 138 HD2 ARG 19 HD2 ARG 19 16.818 -7.455 -1.927 139 HD3 ARG 19 HD1 ARG 19 15.572 -7.953 -0.786 140 HE ARG 19 HE ARG 19 15.870 -8.922 -3.428 141 HH11 ARG 19 HH11 ARG 19 14.196 -10.178 -4.311 142 HH12 ARG 19 HH12 ARG 19 12.608 -10.101 -3.624 143 HH21 ARG 19 HH21 ARG 19 13.487 -7.799 -1.185 144 HH22 ARG 19 HH22 ARG 19 12.206 -8.752 -1.856 145 H ARG 20 H ARG 20 16.526 -1.582 -2.713 146 HA ARG 20 HA ARG 20 17.889 -1.578 -0.222 147 HB2 ARG 20 HB2 ARG 20 17.732 0.087 -2.531 148 HB3 ARG 20 HB1 ARG 20 17.440 1.100 -1.119 149 HG2 ARG 20 HG2 ARG 20 19.804 1.083 -1.385 150 HG3 ARG 20 HG1 ARG 20 19.486 -0.052 -0.075 151 HD2 ARG 20 HD2 ARG 20 19.300 -1.479 -2.545 152 HD3 ARG 20 HD1 ARG 20 20.799 -0.555 -2.561 153 HE ARG 20 HE ARG 20 20.884 -1.683 -0.117 154 HH11 ARG 20 HH11 ARG 20 21.664 -3.769 0.332 155 HH12 ARG 20 HH12 ARG 20 21.586 -4.998 -0.886 156 HH21 ARG 20 HH21 ARG 20 20.115 -2.933 -3.251 157 HH22 ARG 20 HH22 ARG 20 20.708 -4.525 -2.913 158 H ARG 21 H ARG 21 17.450 0.642 1.158 159 HA ARG 21 HA ARG 21 14.692 1.260 1.590 160 HB2 ARG 21 HB2 ARG 21 15.860 -1.008 3.027 161 HB3 ARG 21 HB1 ARG 21 15.189 0.216 4.103 162 HG2 ARG 21 HG2 ARG 21 13.110 0.161 2.570 163 HG3 ARG 21 HG1 ARG 21 13.783 -1.339 1.931 164 HD2 ARG 21 HD2 ARG 21 12.939 -2.446 3.692 165 HD3 ARG 21 HD1 ARG 21 13.952 -1.486 4.765 166 HE ARG 21 HE ARG 21 12.042 -0.346 5.388 167 HH11 ARG 21 HH11 ARG 21 9.885 0.335 5.165 168 HH12 ARG 21 HH12 ARG 21 9.002 -0.060 3.728 169 HH21 ARG 21 HH21 ARG 21 11.641 -1.762 2.257 170 HH22 ARG 21 HH22 ARG 21 9.996 -1.248 2.082 171 H GLY 22 H GLY 22 15.943 3.288 1.298 172 HA2 GLY 22 HA2 GLY 22 16.048 5.148 2.995 173 HA3 GLY 22 HA1 GLY 22 17.232 4.142 3.823 174 H GLY 23 H GLY 23 17.656 6.810 2.884 175 HA2 GLY 23 HA2 GLY 23 20.186 6.591 1.725 176 HA3 GLY 23 HA1 GLY 23 19.047 6.907 0.421 177 H TYR 24 H TYR 24 20.867 8.781 0.695 178 HA TYR 24 HA TYR 24 19.354 11.097 1.505 179 HB2 TYR 24 HB2 TYR 24 21.454 9.986 3.247 180 HB3 TYR 24 HB1 TYR 24 21.628 11.705 2.890 181 HD1 TYR 24 HD1 TYR 24 19.742 13.281 3.379 182 HD2 TYR 24 HD2 TYR 24 19.683 9.176 4.642 183 HE1 TYR 24 HE1 TYR 24 17.927 13.802 4.987 184 HE2 TYR 24 HE2 TYR 24 17.868 9.698 6.251 185 HH TYR 24 HH TYR 24 16.546 13.002 6.519 186 H CYS 25 H CYS 25 19.693 12.459 -0.116 187 HA CYS 25 HA CYS 25 21.492 12.298 -2.155 188 HB2 CYS 25 HB2 CYS 25 20.252 14.718 -0.853 189 HB3 CYS 25 HB1 CYS 25 21.264 14.849 -2.292 190 H ASP 26 H ASP 26 23.519 13.205 -2.645 191 HA ASP 26 HA ASP 26 25.086 14.163 -0.331 192 HB2 ASP 26 HB2 ASP 26 26.320 12.382 -2.408 193 HB3 ASP 26 HB1 ASP 26 26.852 12.701 -0.758 194 H GLY 27 H GLY 27 24.498 16.239 -1.396 195 HA2 GLY 27 HA2 GLY 27 26.488 17.617 -2.515 196 HA3 GLY 27 HA1 GLY 27 25.825 16.807 -3.931 197 H PHE 28 H PHE 28 25.781 19.487 -3.977 198 HA PHE 28 HA PHE 28 23.102 20.337 -3.106 199 HB2 PHE 28 HB2 PHE 28 25.229 21.703 -2.629 200 HB3 PHE 28 HB1 PHE 28 25.205 22.103 -4.347 201 HD1 PHE 28 HD1 PHE 28 23.365 23.417 -5.315 202 HD2 PHE 28 HD2 PHE 28 23.520 22.539 -1.112 203 HE1 PHE 28 HE1 PHE 28 21.644 25.151 -4.889 204 HE2 PHE 28 HE2 PHE 28 21.798 24.273 -0.687 205 HZ PHE 28 HZ PHE 28 20.861 25.579 -2.575 206 H LEU 29 H LEU 29 25.155 20.053 -5.975 207 HA LEU 29 HA LEU 29 22.900 20.819 -7.697 208 HB2 LEU 29 HB2 LEU 29 25.745 20.179 -8.500 209 HB3 LEU 29 HB1 LEU 29 24.514 20.985 -9.473 210 HG LEU 29 HG LEU 29 25.142 22.203 -6.830 211 HD11 LEU 29 HD11 LEU 29 27.387 21.689 -7.628 212 HD12 LEU 29 HD12 LEU 29 27.084 23.413 -7.845 213 HD13 LEU 29 HD13 LEU 29 26.996 22.322 -9.228 214 HD21 LEU 29 HD21 LEU 29 23.522 22.933 -8.809 215 HD22 LEU 29 HD22 LEU 29 25.005 23.630 -9.460 216 HD23 LEU 29 HD23 LEU 29 24.410 24.139 -7.879 217 H LYS 30 H LYS 30 23.366 19.423 -9.960 218 HA LYS 30 HA LYS 30 22.218 16.887 -9.402 219 HB2 LYS 30 HB2 LYS 30 23.217 18.298 -11.836 220 HB3 LYS 30 HB1 LYS 30 22.989 16.551 -11.927 221 HG2 LYS 30 HG2 LYS 30 20.957 17.900 -12.587 222 HG3 LYS 30 HG1 LYS 30 20.672 16.747 -11.283 223 HD2 LYS 30 HD2 LYS 30 20.578 18.415 -9.648 224 HD3 LYS 30 HD1 LYS 30 21.489 19.563 -10.629 225 HE2 LYS 30 HE2 LYS 30 18.878 18.623 -11.716 226 HE3 LYS 30 HE1 LYS 30 18.827 19.739 -10.351 227 HZ1 LYS 30 HZ1 LYS 30 20.420 21.152 -11.646 228 HZ2 LYS 30 HZ2 LYS 30 18.852 21.047 -12.294 229 HZ3 LYS 30 HZ3 LYS 30 20.122 20.153 -12.984 230 H GLN 31 H GLN 31 24.079 16.454 -7.777 231 HA GLN 31 HA GLN 31 26.524 15.448 -8.987 232 HB2 GLN 31 HB2 GLN 31 25.507 15.788 -6.187 233 HB3 GLN 31 HB1 GLN 31 26.855 14.693 -6.493 234 HG2 GLN 31 HG2 GLN 31 27.055 17.326 -7.825 235 HG3 GLN 31 HG1 GLN 31 27.143 17.371 -6.065 236 HE21 GLN 31 HE21 GLN 31 28.770 15.731 -5.083 237 HE22 GLN 31 HE22 GLN 31 30.204 15.461 -5.950 238 H ARG 32 H ARG 32 24.727 13.823 -6.432 239 HA ARG 32 HA ARG 32 23.520 11.752 -7.791 240 HB2 ARG 32 HB2 ARG 32 25.499 11.010 -8.823 241 HB3 ARG 32 HB1 ARG 32 26.468 11.298 -7.378 242 HG2 ARG 32 HG2 ARG 32 25.371 9.452 -6.221 243 HG3 ARG 32 HG1 ARG 32 24.277 9.211 -7.583 244 HD2 ARG 32 HD2 ARG 32 26.862 9.156 -8.687 245 HD3 ARG 32 HD1 ARG 32 26.971 8.213 -7.204 246 HE ARG 32 HE ARG 32 25.520 7.496 -9.594 247 HH11 ARG 32 HH11 ARG 32 24.474 5.482 -9.540 248 HH12 ARG 32 HH12 ARG 32 24.221 4.682 -8.024 249 HH21 ARG 32 HH21 ARG 32 25.734 7.179 -6.152 250 HH22 ARG 32 HH22 ARG 32 24.935 5.642 -6.107 251 H CYS 33 H CYS 33 22.919 9.968 -6.410 252 HA CYS 33 HA CYS 33 23.259 10.622 -3.546 253 HB2 CYS 33 HB2 CYS 33 21.105 8.990 -3.568 254 HB3 CYS 33 HB1 CYS 33 20.991 10.743 -3.717 255 H VAL 34 H VAL 34 23.319 8.823 -2.059 256 HA VAL 34 HA VAL 34 24.191 6.266 -3.237 257 HB VAL 34 HB VAL 34 25.651 7.899 -1.154 258 HG11 VAL 34 HG11 VAL 34 25.469 4.998 -1.544 259 HG12 VAL 34 HG12 VAL 34 26.137 5.909 -0.190 260 HG13 VAL 34 HG13 VAL 34 27.125 5.601 -1.618 261 HG21 VAL 34 HG21 VAL 34 26.226 8.453 -3.455 262 HG22 VAL 34 HG22 VAL 34 26.413 6.746 -3.855 263 HG23 VAL 34 HG23 VAL 34 27.548 7.522 -2.752 264 H CYS 35 H CYS 35 22.032 5.581 -2.597 265 HA CYS 35 HA CYS 35 20.779 5.755 -0.215 266 HB2 CYS 35 HB2 CYS 35 20.479 3.063 -0.740 267 HB3 CYS 35 HB1 CYS 35 19.498 4.364 -1.420 268 H TYR 36 H TYR 36 20.942 4.988 1.815 269 HA TYR 36 HA TYR 36 23.122 4.640 3.229 270 HB2 TYR 36 HB2 TYR 36 20.854 4.346 4.160 271 HB3 TYR 36 HB1 TYR 36 20.802 2.714 3.485 272 HD1 TYR 36 HD1 TYR 36 21.514 0.933 4.807 273 HD2 TYR 36 HD2 TYR 36 22.995 4.880 5.629 274 HE1 TYR 36 HE1 TYR 36 22.713 0.068 6.797 275 HE2 TYR 36 HE2 TYR 36 24.195 4.015 7.619 276 HH TYR 36 HH TYR 36 23.618 0.893 8.900 277 H ARG 37 H ARG 37 21.629 1.580 2.166 278 HA ARG 37 HA ARG 37 23.844 -0.031 2.559 279 HB2 ARG 37 HB2 ARG 37 21.626 -0.281 0.518 280 HB3 ARG 37 HB1 ARG 37 22.794 -1.557 0.866 281 HG2 ARG 37 HG2 ARG 37 21.319 -2.211 2.461 282 HG3 ARG 37 HG1 ARG 37 21.952 -0.852 3.390 283 HD2 ARG 37 HD2 ARG 37 20.166 0.500 1.956 284 HD3 ARG 37 HD1 ARG 37 19.394 -1.079 1.859 285 HE ARG 37 HE ARG 37 19.851 0.478 4.316 286 HH11 ARG 37 HH11 ARG 37 18.530 -0.166 6.044 287 HH12 ARG 37 HH12 ARG 37 17.554 -1.590 5.900 288 HH21 ARG 37 HH21 ARG 37 18.608 -2.313 2.678 289 HH22 ARG 37 HH22 ARG 37 17.598 -2.803 3.995 290 H LYS 38 H LYS 38 25.730 -0.335 1.561 291 HA LYS 38 HA LYS 38 26.126 0.942 -1.078 292 HB2 LYS 38 HB2 LYS 38 27.386 1.844 1.000 293 HB3 LYS 38 HB1 LYS 38 28.351 0.373 0.866 294 HG2 LYS 38 HG2 LYS 38 27.913 2.322 -1.415 295 HG3 LYS 38 HG1 LYS 38 29.331 2.335 -0.365 296 HD2 LYS 38 HD2 LYS 38 29.365 -0.259 -1.039 297 HD3 LYS 38 HD1 LYS 38 28.550 0.373 -2.470 298 HE2 LYS 38 HE2 LYS 38 30.698 0.718 -3.183 299 HE3 LYS 38 HE1 LYS 38 30.531 2.198 -2.238 300 HZ1 LYS 38 HZ1 LYS 38 32.538 0.660 -1.821 301 HZ2 LYS 38 HZ2 LYS 38 31.434 -0.288 -0.943 302 HZ3 LYS 38 HZ3 LYS 38 31.724 1.324 -0.491 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 19.946 18.216 -3.725 2 HA2 GLY 1 HA2 GLY 1 21.076 19.253 -6.215 3 HA3 GLY 1 HA1 GLY 1 21.682 17.884 -5.287 4 H PHE 2 H PHE 2 21.817 16.670 -7.255 5 HA PHE 2 HA PHE 2 20.074 16.146 -9.212 6 HB2 PHE 2 HB2 PHE 2 22.051 14.834 -9.126 7 HB3 PHE 2 HB1 PHE 2 21.612 14.144 -7.565 8 HD1 PHE 2 HD1 PHE 2 20.388 14.404 -11.096 9 HD2 PHE 2 HD2 PHE 2 20.475 12.099 -7.473 10 HE1 PHE 2 HE1 PHE 2 19.195 12.557 -12.243 11 HE2 PHE 2 HE2 PHE 2 19.284 10.252 -8.619 12 HZ PHE 2 HZ PHE 2 18.643 10.479 -11.005 13 H GLY 3 H GLY 3 19.684 15.104 -5.877 14 HA2 GLY 3 HA2 GLY 3 16.840 14.608 -6.417 15 HA3 GLY 3 HA1 GLY 3 17.789 13.330 -5.669 16 H CYS 4 H CYS 4 16.824 13.301 -3.690 17 HA CYS 4 HA CYS 4 15.755 15.096 -2.067 18 HB2 CYS 4 HB2 CYS 4 17.461 13.962 -0.245 19 HB3 CYS 4 HB1 CYS 4 15.975 13.212 -0.831 20 HA PRO 5 HA PRO 5 15.731 15.760 0.024 21 HB2 PRO 5 HB2 PRO 5 15.209 18.205 1.085 22 HB3 PRO 5 HB1 PRO 5 16.425 17.108 1.766 23 HG2 PRO 5 HG2 PRO 5 16.785 19.525 0.088 24 HG3 PRO 5 HG1 PRO 5 17.794 18.896 1.399 25 HD2 PRO 5 HD2 PRO 5 18.336 18.588 -1.323 26 HD3 PRO 5 HD1 PRO 5 19.029 17.594 -0.024 27 H PHE 6 H PHE 6 16.168 17.201 -2.799 28 HA PHE 6 HA PHE 6 13.714 18.704 -3.083 29 HB2 PHE 6 HB2 PHE 6 15.696 17.724 -5.152 30 HB3 PHE 6 HB1 PHE 6 14.364 18.837 -5.463 31 HD1 PHE 6 HD1 PHE 6 17.523 18.394 -3.549 32 HD2 PHE 6 HD2 PHE 6 14.519 21.151 -4.903 33 HE1 PHE 6 HE1 PHE 6 18.937 20.294 -2.814 34 HE2 PHE 6 HE2 PHE 6 15.934 23.052 -4.167 35 HZ PHE 6 HZ PHE 6 18.142 22.623 -3.122 36 H ASN 7 H ASN 7 14.775 16.144 -5.279 37 HA ASN 7 HA ASN 7 12.038 15.058 -5.219 38 HB2 ASN 7 HB2 ASN 7 12.932 15.757 -7.414 39 HB3 ASN 7 HB1 ASN 7 14.256 14.609 -7.228 40 HD21 ASN 7 HD21 ASN 7 12.456 14.349 -9.409 41 HD22 ASN 7 HD22 ASN 7 11.514 12.956 -9.179 42 H GLN 8 H GLN 8 12.907 14.164 -3.031 43 HA GLN 8 HA GLN 8 14.767 12.157 -2.763 44 HB2 GLN 8 HB2 GLN 8 13.369 13.125 -0.923 45 HB3 GLN 8 HB1 GLN 8 12.024 12.132 -1.485 46 HG2 GLN 8 HG2 GLN 8 12.874 10.269 -0.533 47 HG3 GLN 8 HG1 GLN 8 14.487 10.591 -1.168 48 HE21 GLN 8 HE21 GLN 8 16.015 11.048 0.415 49 HE22 GLN 8 HE22 GLN 8 15.668 11.686 1.949 50 H GLY 9 H GLY 9 11.540 11.956 -4.158 51 HA2 GLY 9 HA2 GLY 9 11.225 9.187 -4.294 52 HA3 GLY 9 HA1 GLY 9 10.536 10.329 -5.439 53 H LYS 10 H LYS 10 12.904 11.386 -6.525 54 HA LYS 10 HA LYS 10 13.491 9.475 -8.515 55 HB2 LYS 10 HB2 LYS 10 13.749 11.907 -8.852 56 HB3 LYS 10 HB1 LYS 10 15.085 11.922 -7.703 57 HG2 LYS 10 HG2 LYS 10 16.111 11.799 -9.848 58 HG3 LYS 10 HG1 LYS 10 16.190 10.159 -9.204 59 HD2 LYS 10 HD2 LYS 10 14.385 9.423 -10.560 60 HD3 LYS 10 HD1 LYS 10 13.896 11.074 -10.943 61 HE2 LYS 10 HE2 LYS 10 16.034 11.400 -12.167 62 HE3 LYS 10 HE1 LYS 10 16.458 9.721 -11.837 63 HZ1 LYS 10 HZ1 LYS 10 14.241 10.755 -13.497 64 HZ2 LYS 10 HZ2 LYS 10 14.263 9.156 -12.925 65 HZ3 LYS 10 HZ3 LYS 10 15.497 9.711 -13.952 66 H CYS 11 H CYS 11 14.843 10.114 -5.403 67 HA CYS 11 HA CYS 11 17.067 8.248 -5.932 68 HB2 CYS 11 HB2 CYS 11 16.666 10.404 -3.861 69 HB3 CYS 11 HB1 CYS 11 17.925 9.178 -3.711 70 H HIS 12 H HIS 12 14.041 8.555 -4.392 71 HA HIS 12 HA HIS 12 14.637 6.390 -2.490 72 HB2 HIS 12 HB2 HIS 12 13.334 8.592 -1.928 73 HB3 HIS 12 HB1 HIS 12 11.976 7.755 -2.681 74 HD1 HIS 12 HD1 HIS 12 13.749 8.039 0.474 75 HD2 HIS 12 HD2 HIS 12 11.552 5.053 -1.435 76 HE1 HIS 12 HE1 HIS 12 13.134 6.349 2.259 77 HE2 HIS 12 HE2 HIS 12 11.793 4.524 1.111 78 H ARG 13 H ARG 13 12.650 7.160 -5.299 79 HA ARG 13 HA ARG 13 11.168 4.698 -5.221 80 HB2 ARG 13 HB2 ARG 13 11.542 6.741 -7.425 81 HB3 ARG 13 HB1 ARG 13 10.426 5.376 -7.502 82 HG2 ARG 13 HG2 ARG 13 10.282 7.168 -5.112 83 HG3 ARG 13 HG1 ARG 13 9.621 7.766 -6.633 84 HD2 ARG 13 HD2 ARG 13 8.905 4.990 -5.792 85 HD3 ARG 13 HD1 ARG 13 8.137 6.331 -4.948 86 HE ARG 13 HE ARG 13 7.941 6.809 -7.714 87 HH11 ARG 13 HH11 ARG 13 6.001 6.317 -8.795 88 HH12 ARG 13 HH12 ARG 13 4.880 5.202 -8.087 89 HH21 ARG 13 HH21 ARG 13 6.827 4.617 -5.279 90 HH22 ARG 13 HH22 ARG 13 5.347 4.240 -6.098 91 H HIS 14 H HIS 14 14.067 5.855 -6.858 92 HA HIS 14 HA HIS 14 14.367 3.659 -8.631 93 HB2 HIS 14 HB2 HIS 14 15.558 5.982 -8.606 94 HB3 HIS 14 HB1 HIS 14 16.703 5.187 -7.520 95 HD1 HIS 14 HD1 HIS 14 15.270 2.840 -9.923 96 HD2 HIS 14 HD2 HIS 14 18.501 5.474 -9.880 97 HE1 HIS 14 HE1 HIS 14 16.786 2.147 -11.831 98 HE2 HIS 14 HE2 HIS 14 18.759 3.745 -11.819 99 H CYS 15 H CYS 15 16.082 4.386 -5.577 100 HA CYS 15 HA CYS 15 17.317 1.825 -5.453 101 HB2 CYS 15 HB2 CYS 15 17.760 4.172 -4.185 102 HB3 CYS 15 HB1 CYS 15 16.913 3.279 -2.915 103 H ARG 16 H ARG 16 14.418 3.194 -3.909 104 HA ARG 16 HA ARG 16 13.744 1.250 -2.116 105 HB2 ARG 16 HB2 ARG 16 12.213 3.024 -2.285 106 HB3 ARG 16 HB1 ARG 16 12.020 2.811 -4.027 107 HG2 ARG 16 HG2 ARG 16 10.668 0.915 -3.776 108 HG3 ARG 16 HG1 ARG 16 11.258 0.591 -2.147 109 HD2 ARG 16 HD2 ARG 16 9.992 2.365 -1.217 110 HD3 ARG 16 HD1 ARG 16 9.694 3.090 -2.794 111 HE ARG 16 HE ARG 16 8.395 0.872 -3.191 112 HH11 ARG 16 HH11 ARG 16 6.413 0.143 -2.369 113 HH12 ARG 16 HH12 ARG 16 5.890 0.651 -0.798 114 HH21 ARG 16 HH21 ARG 16 8.693 2.597 -0.197 115 HH22 ARG 16 HH22 ARG 16 7.180 2.037 0.429 116 H SER 17 H SER 17 13.350 1.124 -5.635 117 HA SER 17 HA SER 17 12.034 -1.388 -5.718 118 HB2 SER 17 HB2 SER 17 13.677 0.125 -7.749 119 HB3 SER 17 HB1 SER 17 12.908 -1.418 -8.106 120 HG SER 17 HG SER 17 11.561 0.339 -8.651 121 H ILE 18 H ILE 18 15.352 -0.425 -5.367 122 HA ILE 18 HA ILE 18 16.410 -3.066 -5.956 123 HB ILE 18 HB ILE 18 17.880 -0.773 -4.653 124 HG12 ILE 18 HG12 ILE 18 16.606 -0.162 -6.817 125 HG13 ILE 18 HG11 ILE 18 18.339 0.158 -6.788 126 HG21 ILE 18 HG21 ILE 18 19.296 -2.614 -4.635 127 HG22 ILE 18 HG22 ILE 18 19.681 -1.926 -6.212 128 HG23 ILE 18 HG23 ILE 18 18.588 -3.305 -6.094 129 HD11 ILE 18 HD11 ILE 18 17.130 -2.383 -7.907 130 HD12 ILE 18 HD12 ILE 18 18.807 -1.853 -8.037 131 HD13 ILE 18 HD13 ILE 18 17.537 -0.979 -8.892 132 H ARG 19 H ARG 19 14.492 -3.273 -4.011 133 HA ARG 19 HA ARG 19 14.066 -3.905 -1.835 134 HB2 ARG 19 HB2 ARG 19 15.524 -5.678 -1.034 135 HB3 ARG 19 HB1 ARG 19 15.267 -5.864 -2.768 136 HG2 ARG 19 HG2 ARG 19 17.428 -5.029 -3.289 137 HG3 ARG 19 HG1 ARG 19 17.652 -4.368 -1.669 138 HD2 ARG 19 HD2 ARG 19 17.108 -7.249 -1.679 139 HD3 ARG 19 HD1 ARG 19 18.590 -6.817 -2.526 140 HE ARG 19 HE ARG 19 18.073 -6.531 0.325 141 HH11 ARG 19 HH11 ARG 19 19.875 -5.903 1.557 142 HH12 ARG 19 HH12 ARG 19 21.301 -5.323 0.762 143 HH21 ARG 19 HH21 ARG 19 19.983 -5.665 -2.427 144 HH22 ARG 19 HH22 ARG 19 21.360 -5.185 -1.493 145 H ARG 20 H ARG 20 15.723 -1.381 -2.274 146 HA ARG 20 HA ARG 20 17.315 -1.284 0.170 147 HB2 ARG 20 HB2 ARG 20 17.211 0.191 -2.320 148 HB3 ARG 20 HB1 ARG 20 17.166 1.290 -0.943 149 HG2 ARG 20 HG2 ARG 20 19.484 0.923 -1.409 150 HG3 ARG 20 HG1 ARG 20 19.119 -0.048 0.015 151 HD2 ARG 20 HD2 ARG 20 19.009 -2.059 -1.255 152 HD3 ARG 20 HD1 ARG 20 18.963 -1.179 -2.780 153 HE ARG 20 HE ARG 20 21.357 -0.491 -1.519 154 HH11 ARG 20 HH11 ARG 20 23.283 -1.542 -2.098 155 HH12 ARG 20 HH12 ARG 20 23.223 -3.111 -2.830 156 HH21 ARG 20 HH21 ARG 20 19.762 -3.300 -2.761 157 HH22 ARG 20 HH22 ARG 20 21.229 -4.107 -3.205 158 H ARG 21 H ARG 21 16.852 -0.042 1.957 159 HA ARG 21 HA ARG 21 14.048 0.856 2.166 160 HB2 ARG 21 HB2 ARG 21 16.043 -0.160 4.179 161 HB3 ARG 21 HB1 ARG 21 14.611 0.739 4.680 162 HG2 ARG 21 HG2 ARG 21 13.145 -0.884 3.662 163 HG3 ARG 21 HG1 ARG 21 14.507 -1.712 2.905 164 HD2 ARG 21 HD2 ARG 21 14.262 -3.060 4.756 165 HD3 ARG 21 HD1 ARG 21 15.341 -1.847 5.440 166 HE ARG 21 HE ARG 21 12.917 -0.798 5.981 167 HH11 ARG 21 HH11 ARG 21 11.645 -1.317 7.789 168 HH12 ARG 21 HH12 ARG 21 11.811 -2.869 8.542 169 HH21 ARG 21 HH21 ARG 21 14.258 -3.968 6.345 170 HH22 ARG 21 HH22 ARG 21 13.291 -4.368 7.726 171 H GLY 22 H GLY 22 16.593 1.746 4.382 172 HA2 GLY 22 HA2 GLY 22 15.904 4.511 4.283 173 HA3 GLY 22 HA1 GLY 22 17.266 3.812 5.152 174 H GLY 23 H GLY 23 17.180 6.276 3.583 175 HA2 GLY 23 HA2 GLY 23 19.644 6.050 2.233 176 HA3 GLY 23 HA1 GLY 23 18.347 6.009 1.049 177 H TYR 24 H TYR 24 19.925 8.040 0.657 178 HA TYR 24 HA TYR 24 18.363 10.328 0.828 179 HB2 TYR 24 HB2 TYR 24 18.568 10.504 3.159 180 HB3 TYR 24 HB1 TYR 24 20.254 9.986 3.144 181 HD1 TYR 24 HD1 TYR 24 18.299 12.595 1.277 182 HD2 TYR 24 HD2 TYR 24 21.689 11.711 3.762 183 HE1 TYR 24 HE1 TYR 24 19.029 14.959 1.121 184 HE2 TYR 24 HE2 TYR 24 22.418 14.078 3.608 185 HH TYR 24 HH TYR 24 21.287 16.323 3.158 186 H CYS 25 H CYS 25 19.352 12.143 -0.126 187 HA CYS 25 HA CYS 25 21.378 11.594 -2.001 188 HB2 CYS 25 HB2 CYS 25 20.230 14.186 -0.958 189 HB3 CYS 25 HB1 CYS 25 21.427 14.125 -2.252 190 H ASP 26 H ASP 26 23.414 13.014 -2.161 191 HA ASP 26 HA ASP 26 24.657 13.579 0.424 192 HB2 ASP 26 HB2 ASP 26 25.372 11.289 -1.327 193 HB3 ASP 26 HB1 ASP 26 26.707 12.208 -0.634 194 H GLY 27 H GLY 27 25.000 15.690 -0.054 195 HA2 GLY 27 HA2 GLY 27 27.117 16.812 -1.091 196 HA3 GLY 27 HA1 GLY 27 26.300 16.393 -2.593 197 H PHE 28 H PHE 28 25.895 18.469 -3.286 198 HA PHE 28 HA PHE 28 23.781 19.889 -1.821 199 HB2 PHE 28 HB2 PHE 28 26.167 20.818 -1.363 200 HB3 PHE 28 HB1 PHE 28 26.061 21.444 -3.009 201 HD1 PHE 28 HD1 PHE 28 24.102 22.931 -3.634 202 HD2 PHE 28 HD2 PHE 28 25.009 21.868 0.427 203 HE1 PHE 28 HE1 PHE 28 22.713 24.820 -2.830 204 HE2 PHE 28 HE2 PHE 28 23.620 23.758 1.232 205 HZ PHE 28 HZ PHE 28 22.471 25.234 -0.397 206 H LEU 29 H LEU 29 25.668 19.505 -4.787 207 HA LEU 29 HA LEU 29 23.407 20.638 -6.315 208 HB2 LEU 29 HB2 LEU 29 26.360 20.580 -6.758 209 HB3 LEU 29 HB1 LEU 29 25.300 20.571 -8.168 210 HG LEU 29 HG LEU 29 24.808 22.542 -5.953 211 HD11 LEU 29 HD11 LEU 29 26.775 22.894 -8.236 212 HD12 LEU 29 HD12 LEU 29 27.204 22.753 -6.532 213 HD13 LEU 29 HD13 LEU 29 26.286 24.148 -7.097 214 HD21 LEU 29 HD21 LEU 29 23.503 21.944 -8.289 215 HD22 LEU 29 HD22 LEU 29 24.556 23.259 -8.809 216 HD23 LEU 29 HD23 LEU 29 23.422 23.510 -7.482 217 H LYS 30 H LYS 30 24.087 19.572 -8.804 218 HA LYS 30 HA LYS 30 22.826 17.035 -8.681 219 HB2 LYS 30 HB2 LYS 30 24.385 18.316 -10.938 220 HB3 LYS 30 HB1 LYS 30 23.325 16.913 -11.094 221 HG2 LYS 30 HG2 LYS 30 21.573 18.525 -9.920 222 HG3 LYS 30 HG1 LYS 30 22.615 19.779 -10.595 223 HD2 LYS 30 HD2 LYS 30 21.542 17.490 -12.257 224 HD3 LYS 30 HD1 LYS 30 20.686 19.024 -12.086 225 HE2 LYS 30 HE2 LYS 30 23.568 19.195 -12.792 226 HE3 LYS 30 HE1 LYS 30 22.490 18.577 -14.042 227 HZ1 LYS 30 HZ1 LYS 30 22.754 21.018 -14.078 228 HZ2 LYS 30 HZ2 LYS 30 22.034 21.097 -12.541 229 HZ3 LYS 30 HZ3 LYS 30 21.144 20.525 -13.871 230 H GLN 31 H GLN 31 24.345 16.117 -7.035 231 HA GLN 31 HA GLN 31 26.901 15.187 -8.132 232 HB2 GLN 31 HB2 GLN 31 25.664 15.112 -5.379 233 HB3 GLN 31 HB1 GLN 31 27.130 14.219 -5.775 234 HG2 GLN 31 HG2 GLN 31 27.798 16.641 -6.776 235 HG3 GLN 31 HG1 GLN 31 26.715 17.146 -5.481 236 HE21 GLN 31 HE21 GLN 31 28.828 18.033 -4.522 237 HE22 GLN 31 HE22 GLN 31 29.787 16.967 -3.614 238 H ARG 32 H ARG 32 24.941 13.384 -5.865 239 HA ARG 32 HA ARG 32 23.739 11.542 -7.607 240 HB2 ARG 32 HB2 ARG 32 26.125 11.004 -8.164 241 HB3 ARG 32 HB1 ARG 32 26.360 10.527 -6.482 242 HG2 ARG 32 HG2 ARG 32 24.977 8.663 -6.676 243 HG3 ARG 32 HG1 ARG 32 24.079 9.343 -8.034 244 HD2 ARG 32 HD2 ARG 32 26.992 8.843 -8.431 245 HD3 ARG 32 HD1 ARG 32 25.932 7.438 -8.374 246 HE ARG 32 HE ARG 32 26.050 9.429 -10.472 247 HH11 ARG 32 HH11 ARG 32 24.700 9.036 -12.257 248 HH12 ARG 32 HH12 ARG 32 23.432 7.862 -12.136 249 HH21 ARG 32 HH21 ARG 32 24.159 7.029 -8.848 250 HH22 ARG 32 HH22 ARG 32 23.127 6.724 -10.205 251 H CYS 33 H CYS 33 22.800 9.728 -6.471 252 HA CYS 33 HA CYS 33 22.542 10.290 -3.594 253 HB2 CYS 33 HB2 CYS 33 20.773 8.939 -5.614 254 HB3 CYS 33 HB1 CYS 33 20.535 8.678 -3.886 255 H VAL 34 H VAL 34 22.582 8.578 -2.070 256 HA VAL 34 HA VAL 34 23.717 6.026 -2.986 257 HB VAL 34 HB VAL 34 24.918 7.522 -0.657 258 HG11 VAL 34 HG11 VAL 34 25.305 5.113 -0.712 259 HG12 VAL 34 HG12 VAL 34 26.799 5.950 -1.131 260 HG13 VAL 34 HG13 VAL 34 25.822 5.206 -2.396 261 HG21 VAL 34 HG21 VAL 34 25.600 7.627 -3.598 262 HG22 VAL 34 HG22 VAL 34 26.823 7.924 -2.363 263 HG23 VAL 34 HG23 VAL 34 25.405 8.968 -2.471 264 H CYS 35 H CYS 35 21.394 5.576 -2.448 265 HA CYS 35 HA CYS 35 20.200 5.779 0.000 266 HB2 CYS 35 HB2 CYS 35 19.368 3.311 -0.668 267 HB3 CYS 35 HB1 CYS 35 18.765 4.772 -1.456 268 H TYR 36 H TYR 36 21.263 5.514 1.844 269 HA TYR 36 HA TYR 36 22.970 4.563 3.226 270 HB2 TYR 36 HB2 TYR 36 20.549 4.134 3.933 271 HB3 TYR 36 HB1 TYR 36 20.784 2.491 3.327 272 HD1 TYR 36 HD1 TYR 36 22.503 1.011 4.341 273 HD2 TYR 36 HD2 TYR 36 21.625 4.896 5.945 274 HE1 TYR 36 HE1 TYR 36 23.673 0.406 6.442 275 HE2 TYR 36 HE2 TYR 36 22.793 4.293 8.048 276 HH TYR 36 HH TYR 36 24.508 2.718 8.809 277 H ARG 37 H ARG 37 21.460 1.614 1.943 278 HA ARG 37 HA ARG 37 23.845 0.117 1.982 279 HB2 ARG 37 HB2 ARG 37 21.350 -0.343 0.327 280 HB3 ARG 37 HB1 ARG 37 22.606 -1.535 0.653 281 HG2 ARG 37 HG2 ARG 37 21.173 -2.085 2.368 282 HG3 ARG 37 HG1 ARG 37 22.086 -0.818 3.184 283 HD2 ARG 37 HD2 ARG 37 20.130 0.608 1.843 284 HD3 ARG 37 HD1 ARG 37 19.278 -0.846 2.343 285 HE ARG 37 HE ARG 37 20.694 0.991 4.186 286 HH11 ARG 37 HH11 ARG 37 19.742 1.098 6.232 287 HH12 ARG 37 HH12 ARG 37 18.379 0.096 6.606 288 HH21 ARG 37 HH21 ARG 37 18.277 -1.407 3.490 289 HH22 ARG 37 HH22 ARG 37 17.554 -1.316 5.058 290 H LYS 38 H LYS 38 25.233 -0.546 0.324 291 HA LYS 38 HA LYS 38 25.512 1.393 -1.843 292 HB2 LYS 38 HB2 LYS 38 27.433 0.556 -0.358 293 HB3 LYS 38 HB1 LYS 38 27.337 -0.941 -1.286 294 HG2 LYS 38 HG2 LYS 38 28.617 0.026 -2.865 295 HG3 LYS 38 HG1 LYS 38 27.287 1.138 -3.192 296 HD2 LYS 38 HD2 LYS 38 28.124 2.726 -1.578 297 HD3 LYS 38 HD1 LYS 38 29.340 1.583 -1.009 298 HE2 LYS 38 HE2 LYS 38 29.373 2.182 -3.917 299 HE3 LYS 38 HE1 LYS 38 29.873 3.491 -2.848 300 HZ1 LYS 38 HZ1 LYS 38 31.005 1.033 -2.015 301 HZ2 LYS 38 HZ2 LYS 38 31.785 2.474 -2.463 302 HZ3 LYS 38 HZ3 LYS 38 31.380 1.320 -3.644 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 20.086 18.953 -4.428 2 HA2 GLY 1 HA2 GLY 1 21.408 18.932 -6.892 3 HA3 GLY 1 HA1 GLY 1 21.659 17.746 -5.614 4 H PHE 2 H PHE 2 21.879 16.033 -7.086 5 HA PHE 2 HA PHE 2 20.271 15.362 -9.217 6 HB2 PHE 2 HB2 PHE 2 22.293 14.112 -8.643 7 HB3 PHE 2 HB1 PHE 2 21.508 13.487 -7.193 8 HD1 PHE 2 HD1 PHE 2 20.849 13.779 -10.875 9 HD2 PHE 2 HD2 PHE 2 20.508 11.387 -7.324 10 HE1 PHE 2 HE1 PHE 2 19.848 11.944 -12.208 11 HE2 PHE 2 HE2 PHE 2 19.508 9.551 -8.657 12 HZ PHE 2 HZ PHE 2 19.177 9.829 -11.099 13 H GLY 3 H GLY 3 19.649 14.968 -5.793 14 HA2 GLY 3 HA2 GLY 3 16.827 14.447 -6.369 15 HA3 GLY 3 HA1 GLY 3 17.692 13.234 -5.437 16 H CYS 4 H CYS 4 16.951 13.435 -3.433 17 HA CYS 4 HA CYS 4 15.776 15.326 -2.016 18 HB2 CYS 4 HB2 CYS 4 17.950 14.531 -0.328 19 HB3 CYS 4 HB1 CYS 4 16.283 13.956 -0.317 20 HA PRO 5 HA PRO 5 15.790 16.220 -0.036 21 HB2 PRO 5 HB2 PRO 5 15.151 18.664 0.924 22 HB3 PRO 5 HB1 PRO 5 16.545 17.750 1.530 23 HG2 PRO 5 HG2 PRO 5 16.460 20.065 -0.321 24 HG3 PRO 5 HG1 PRO 5 17.668 19.632 0.899 25 HD2 PRO 5 HD2 PRO 5 17.899 19.166 -1.864 26 HD3 PRO 5 HD1 PRO 5 18.887 18.405 -0.598 27 H PHE 6 H PHE 6 15.861 17.456 -2.983 28 HA PHE 6 HA PHE 6 13.258 18.729 -3.122 29 HB2 PHE 6 HB2 PHE 6 15.243 17.904 -5.250 30 HB3 PHE 6 HB1 PHE 6 13.725 18.739 -5.584 31 HD1 PHE 6 HD1 PHE 6 17.140 19.076 -4.392 32 HD2 PHE 6 HD2 PHE 6 13.315 21.021 -4.596 33 HE1 PHE 6 HE1 PHE 6 18.217 21.247 -3.863 34 HE2 PHE 6 HE2 PHE 6 14.392 23.192 -4.068 35 HZ PHE 6 HZ PHE 6 16.842 23.305 -3.702 36 H ASN 7 H ASN 7 14.555 16.016 -5.041 37 HA ASN 7 HA ASN 7 11.898 14.739 -4.828 38 HB2 ASN 7 HB2 ASN 7 13.064 13.463 -6.910 39 HB3 ASN 7 HB1 ASN 7 12.079 14.914 -7.086 40 HD21 ASN 7 HD21 ASN 7 14.711 13.801 -8.451 41 HD22 ASN 7 HD22 ASN 7 15.705 15.176 -8.489 42 H GLN 8 H GLN 8 12.659 13.868 -2.739 43 HA GLN 8 HA GLN 8 14.839 12.048 -2.586 44 HB2 GLN 8 HB2 GLN 8 13.811 13.152 -0.609 45 HB3 GLN 8 HB1 GLN 8 12.364 12.170 -0.847 46 HG2 GLN 8 HG2 GLN 8 13.360 10.269 -0.071 47 HG3 GLN 8 HG1 GLN 8 14.921 10.677 -0.781 48 HE21 GLN 8 HE21 GLN 8 16.214 12.394 0.410 49 HE22 GLN 8 HE22 GLN 8 16.017 12.530 2.090 50 H GLY 9 H GLY 9 11.328 11.567 -2.940 51 HA2 GLY 9 HA2 GLY 9 11.181 8.817 -2.939 52 HA3 GLY 9 HA1 GLY 9 10.152 9.844 -3.929 53 H LYS 10 H LYS 10 12.158 10.951 -5.600 54 HA LYS 10 HA LYS 10 12.344 8.944 -7.586 55 HB2 LYS 10 HB2 LYS 10 12.354 11.415 -8.020 56 HB3 LYS 10 HB1 LYS 10 13.994 11.475 -7.382 57 HG2 LYS 10 HG2 LYS 10 13.485 9.429 -9.467 58 HG3 LYS 10 HG1 LYS 10 13.455 11.112 -9.992 59 HD2 LYS 10 HD2 LYS 10 15.676 11.498 -9.110 60 HD3 LYS 10 HD1 LYS 10 15.711 9.893 -8.381 61 HE2 LYS 10 HE2 LYS 10 16.908 10.234 -10.666 62 HE3 LYS 10 HE1 LYS 10 15.884 8.813 -10.462 63 HZ1 LYS 10 HZ1 LYS 10 15.259 9.762 -12.495 64 HZ2 LYS 10 HZ2 LYS 10 15.245 11.339 -11.864 65 HZ3 LYS 10 HZ3 LYS 10 14.044 10.229 -11.407 66 H CYS 11 H CYS 11 14.339 9.841 -4.921 67 HA CYS 11 HA CYS 11 16.540 8.129 -5.879 68 HB2 CYS 11 HB2 CYS 11 16.348 10.340 -3.856 69 HB3 CYS 11 HB1 CYS 11 17.637 9.144 -3.730 70 H HIS 12 H HIS 12 13.902 8.295 -3.689 71 HA HIS 12 HA HIS 12 14.970 6.206 -1.941 72 HB2 HIS 12 HB2 HIS 12 13.466 8.262 -1.271 73 HB3 HIS 12 HB1 HIS 12 12.152 7.203 -1.786 74 HD1 HIS 12 HD1 HIS 12 13.469 4.504 -0.839 75 HD2 HIS 12 HD2 HIS 12 13.119 7.937 1.501 76 HE1 HIS 12 HE1 HIS 12 13.573 3.740 1.574 77 HE2 HIS 12 HE2 HIS 12 13.358 5.821 3.014 78 H ARG 13 H ARG 13 12.298 6.690 -4.235 79 HA ARG 13 HA ARG 13 11.292 4.032 -4.041 80 HB2 ARG 13 HB2 ARG 13 10.991 6.094 -6.239 81 HB3 ARG 13 HB1 ARG 13 10.049 4.607 -6.105 82 HG2 ARG 13 HG2 ARG 13 9.219 5.344 -3.890 83 HG3 ARG 13 HG1 ARG 13 10.135 6.843 -4.056 84 HD2 ARG 13 HD2 ARG 13 7.985 5.917 -5.981 85 HD3 ARG 13 HD1 ARG 13 7.738 7.102 -4.702 86 HE ARG 13 HE ARG 13 9.851 8.109 -6.114 87 HH11 ARG 13 HH11 ARG 13 9.606 9.500 -7.895 88 HH12 ARG 13 HH12 ARG 13 8.142 9.464 -8.820 89 HH21 ARG 13 HH21 ARG 13 6.673 6.982 -6.897 90 HH22 ARG 13 HH22 ARG 13 6.482 8.041 -8.255 91 H HIS 14 H HIS 14 13.777 5.573 -5.968 92 HA HIS 14 HA HIS 14 14.050 3.568 -7.950 93 HB2 HIS 14 HB2 HIS 14 15.018 5.843 -8.146 94 HB3 HIS 14 HB1 HIS 14 16.168 5.438 -6.868 95 HD1 HIS 14 HD1 HIS 14 15.619 5.128 -10.487 96 HD2 HIS 14 HD2 HIS 14 17.960 3.213 -7.617 97 HE1 HIS 14 HE1 HIS 14 17.392 3.838 -11.754 98 HE2 HIS 14 HE2 HIS 14 18.825 2.662 -10.018 99 H CYS 15 H CYS 15 16.151 4.202 -5.115 100 HA CYS 15 HA CYS 15 17.475 1.696 -5.349 101 HB2 CYS 15 HB2 CYS 15 17.994 3.987 -3.972 102 HB3 CYS 15 HB1 CYS 15 17.432 2.923 -2.678 103 H ARG 16 H ARG 16 14.839 2.864 -3.264 104 HA ARG 16 HA ARG 16 14.477 0.742 -1.579 105 HB2 ARG 16 HB2 ARG 16 13.011 2.661 -1.457 106 HB3 ARG 16 HB1 ARG 16 12.345 2.305 -3.052 107 HG2 ARG 16 HG2 ARG 16 11.284 0.314 -2.272 108 HG3 ARG 16 HG1 ARG 16 12.197 0.335 -0.762 109 HD2 ARG 16 HD2 ARG 16 10.018 1.153 -0.223 110 HD3 ARG 16 HD1 ARG 16 11.076 2.562 -0.255 111 HE ARG 16 HE ARG 16 10.009 2.288 -2.821 112 HH11 ARG 16 HH11 ARG 16 8.199 3.512 -3.438 113 HH12 ARG 16 HH12 ARG 16 7.137 4.149 -2.228 114 HH21 ARG 16 HH21 ARG 16 8.935 2.824 0.425 115 HH22 ARG 16 HH22 ARG 16 7.553 3.759 -0.041 116 H SER 17 H SER 17 13.619 0.959 -4.990 117 HA SER 17 HA SER 17 12.164 -1.420 -5.253 118 HB2 SER 17 HB2 SER 17 12.081 -0.633 -7.354 119 HB3 SER 17 HB1 SER 17 13.361 0.520 -6.991 120 HG SER 17 HG SER 17 13.708 -2.207 -7.718 121 H ILE 18 H ILE 18 15.634 -0.786 -5.260 122 HA ILE 18 HA ILE 18 16.350 -3.526 -5.830 123 HB ILE 18 HB ILE 18 18.197 -1.485 -4.612 124 HG12 ILE 18 HG12 ILE 18 17.090 -1.604 -7.423 125 HG13 ILE 18 HG11 ILE 18 17.170 -0.215 -6.342 126 HG21 ILE 18 HG21 ILE 18 19.859 -2.665 -5.929 127 HG22 ILE 18 HG22 ILE 18 18.608 -3.604 -6.743 128 HG23 ILE 18 HG23 ILE 18 18.924 -3.857 -5.026 129 HD11 ILE 18 HD11 ILE 18 19.316 -1.445 -8.008 130 HD12 ILE 18 HD12 ILE 18 19.785 -0.774 -6.446 131 HD13 ILE 18 HD13 ILE 18 19.009 0.255 -7.649 132 H ARG 19 H ARG 19 14.574 -3.077 -3.549 133 HA ARG 19 HA ARG 19 14.258 -4.071 -1.501 134 HB2 ARG 19 HB2 ARG 19 17.139 -4.959 -1.545 135 HB3 ARG 19 HB1 ARG 19 15.782 -5.683 -0.690 136 HG2 ARG 19 HG2 ARG 19 15.168 -6.905 -2.487 137 HG3 ARG 19 HG1 ARG 19 15.316 -5.525 -3.574 138 HD2 ARG 19 HD2 ARG 19 17.733 -5.832 -3.698 139 HD3 ARG 19 HD1 ARG 19 17.653 -7.142 -2.523 140 HE ARG 19 HE ARG 19 17.204 -7.388 -5.309 141 HH11 ARG 19 HH11 ARG 19 16.362 -9.347 -6.088 142 HH12 ARG 19 HH12 ARG 19 15.541 -10.422 -5.007 143 HH21 ARG 19 HH21 ARG 19 15.957 -8.380 -2.236 144 HH22 ARG 19 HH22 ARG 19 15.309 -9.874 -2.827 145 H ARG 20 H ARG 20 16.938 -1.987 -2.150 146 HA ARG 20 HA ARG 20 18.030 -1.383 0.275 147 HB2 ARG 20 HB2 ARG 20 17.602 0.037 -2.230 148 HB3 ARG 20 HB1 ARG 20 17.589 1.134 -0.849 149 HG2 ARG 20 HG2 ARG 20 19.877 0.957 -1.514 150 HG3 ARG 20 HG1 ARG 20 19.723 -0.041 -0.072 151 HD2 ARG 20 HD2 ARG 20 19.179 -1.942 -1.811 152 HD3 ARG 20 HD1 ARG 20 20.026 -0.883 -2.935 153 HE ARG 20 HE ARG 20 21.879 -0.969 -1.129 154 HH11 ARG 20 HH11 ARG 20 23.279 -2.626 -0.472 155 HH12 ARG 20 HH12 ARG 20 22.775 -4.278 -0.589 156 HH21 ARG 20 HH21 ARG 20 19.659 -3.520 -1.899 157 HH22 ARG 20 HH22 ARG 20 20.729 -4.783 -1.395 158 H ARG 21 H ARG 21 17.586 0.244 1.896 159 HA ARG 21 HA ARG 21 14.840 1.229 2.071 160 HB2 ARG 21 HB2 ARG 21 15.917 -0.986 3.711 161 HB3 ARG 21 HB1 ARG 21 15.051 0.272 4.591 162 HG2 ARG 21 HG2 ARG 21 13.180 0.035 2.910 163 HG3 ARG 21 HG1 ARG 21 14.024 -1.375 2.267 164 HD2 ARG 21 HD2 ARG 21 13.978 -1.776 5.040 165 HD3 ARG 21 HD1 ARG 21 12.378 -1.149 4.652 166 HE ARG 21 HE ARG 21 11.927 -3.179 3.644 167 HH11 ARG 21 HH11 ARG 21 12.465 -5.215 2.788 168 HH12 ARG 21 HH12 ARG 21 14.129 -5.644 2.573 169 HH21 ARG 21 HH21 ARG 21 15.340 -2.635 3.795 170 HH22 ARG 21 HH22 ARG 21 15.757 -4.184 3.143 171 H GLY 22 H GLY 22 16.512 3.060 1.683 172 HA2 GLY 22 HA2 GLY 22 16.545 4.886 3.643 173 HA3 GLY 22 HA1 GLY 22 17.938 3.903 4.081 174 H GLY 23 H GLY 23 18.297 6.563 3.483 175 HA2 GLY 23 HA2 GLY 23 20.379 6.603 1.684 176 HA3 GLY 23 HA1 GLY 23 18.952 6.995 0.729 177 H TYR 24 H TYR 24 20.654 8.926 0.653 178 HA TYR 24 HA TYR 24 19.380 11.152 1.806 179 HB2 TYR 24 HB2 TYR 24 20.782 9.917 3.756 180 HB3 TYR 24 HB1 TYR 24 22.043 10.956 3.092 181 HD1 TYR 24 HD1 TYR 24 20.213 13.188 2.109 182 HD2 TYR 24 HD2 TYR 24 20.412 11.069 5.841 183 HE1 TYR 24 HE1 TYR 24 19.221 15.140 3.270 184 HE2 TYR 24 HE2 TYR 24 19.418 13.023 7.002 185 HH TYR 24 HH TYR 24 19.391 15.708 6.382 186 H CYS 25 H CYS 25 19.620 11.934 -0.281 187 HA CYS 25 HA CYS 25 21.592 11.971 -2.061 188 HB2 CYS 25 HB2 CYS 25 19.987 14.342 -1.112 189 HB3 CYS 25 HB1 CYS 25 21.051 14.418 -2.516 190 H ASP 26 H ASP 26 23.508 13.070 -2.508 191 HA ASP 26 HA ASP 26 25.032 13.826 -0.131 192 HB2 ASP 26 HB2 ASP 26 26.260 13.842 -2.842 193 HB3 ASP 26 HB1 ASP 26 26.915 13.262 -1.311 194 H GLY 27 H GLY 27 26.863 15.381 -1.948 195 HA2 GLY 27 HA2 GLY 27 26.555 17.917 -1.289 196 HA3 GLY 27 HA1 GLY 27 26.980 17.513 -2.950 197 H PHE 28 H PHE 28 25.367 19.753 -1.840 198 HA PHE 28 HA PHE 28 22.621 19.383 -2.379 199 HB2 PHE 28 HB2 PHE 28 23.418 21.309 -1.119 200 HB3 PHE 28 HB1 PHE 28 24.315 21.889 -2.522 201 HD1 PHE 28 HD1 PHE 28 22.985 22.384 -4.673 202 HD2 PHE 28 HD2 PHE 28 21.153 21.895 -0.820 203 HE1 PHE 28 HE1 PHE 28 20.959 23.556 -5.489 204 HE2 PHE 28 HE2 PHE 28 19.126 23.067 -1.635 205 HZ PHE 28 HZ PHE 28 19.029 23.898 -3.970 206 H LEU 29 H LEU 29 25.354 20.193 -4.441 207 HA LEU 29 HA LEU 29 23.868 20.975 -6.728 208 HB2 LEU 29 HB2 LEU 29 26.677 19.985 -6.300 209 HB3 LEU 29 HB1 LEU 29 26.053 20.280 -7.923 210 HG LEU 29 HG LEU 29 25.616 22.409 -5.880 211 HD11 LEU 29 HD11 LEU 29 28.261 22.098 -7.320 212 HD12 LEU 29 HD12 LEU 29 28.018 21.604 -5.645 213 HD13 LEU 29 HD13 LEU 29 27.834 23.298 -6.099 214 HD21 LEU 29 HD21 LEU 29 26.251 22.276 -8.840 215 HD22 LEU 29 HD22 LEU 29 26.161 23.792 -7.944 216 HD23 LEU 29 HD23 LEU 29 24.733 22.768 -8.089 217 H LYS 30 H LYS 30 23.836 19.751 -8.790 218 HA LYS 30 HA LYS 30 22.461 17.319 -8.530 219 HB2 LYS 30 HB2 LYS 30 23.194 17.147 -11.068 220 HB3 LYS 30 HB1 LYS 30 22.015 18.352 -10.546 221 HG2 LYS 30 HG2 LYS 30 23.499 20.103 -10.762 222 HG3 LYS 30 HG1 LYS 30 24.902 19.095 -10.402 223 HD2 LYS 30 HD2 LYS 30 24.974 18.206 -12.588 224 HD3 LYS 30 HD1 LYS 30 23.320 18.706 -12.940 225 HE2 LYS 30 HE2 LYS 30 25.197 20.888 -12.224 226 HE3 LYS 30 HE1 LYS 30 25.496 20.094 -13.771 227 HZ1 LYS 30 HZ1 LYS 30 22.862 21.164 -12.922 228 HZ2 LYS 30 HZ2 LYS 30 23.262 20.535 -14.449 229 HZ3 LYS 30 HZ3 LYS 30 23.953 21.995 -13.920 230 H GLN 31 H GLN 31 24.153 16.393 -6.974 231 HA GLN 31 HA GLN 31 26.517 15.272 -8.236 232 HB2 GLN 31 HB2 GLN 31 25.365 14.952 -5.454 233 HB3 GLN 31 HB1 GLN 31 26.896 14.260 -5.991 234 HG2 GLN 31 HG2 GLN 31 27.219 16.849 -6.772 235 HG3 GLN 31 HG1 GLN 31 26.219 17.065 -5.336 236 HE21 GLN 31 HE21 GLN 31 28.966 17.903 -5.398 237 HE22 GLN 31 HE22 GLN 31 29.838 16.928 -4.317 238 H ARG 32 H ARG 32 24.376 13.524 -6.056 239 HA ARG 32 HA ARG 32 23.106 11.825 -7.875 240 HB2 ARG 32 HB2 ARG 32 25.771 11.311 -8.019 241 HB3 ARG 32 HB1 ARG 32 25.296 10.198 -6.737 242 HG2 ARG 32 HG2 ARG 32 23.618 9.180 -8.148 243 HG3 ARG 32 HG1 ARG 32 23.869 10.395 -9.403 244 HD2 ARG 32 HD2 ARG 32 25.113 7.949 -9.334 245 HD3 ARG 32 HD1 ARG 32 25.716 9.355 -10.206 246 HE ARG 32 HE ARG 32 26.636 9.537 -7.563 247 HH11 ARG 32 HH11 ARG 32 28.756 8.872 -7.070 248 HH12 ARG 32 HH12 ARG 32 29.577 7.770 -8.124 249 HH21 ARG 32 HH21 ARG 32 26.930 7.506 -10.347 250 HH22 ARG 32 HH22 ARG 32 28.544 6.998 -9.980 251 H CYS 33 H CYS 33 22.639 9.587 -6.737 252 HA CYS 33 HA CYS 33 22.149 10.140 -3.871 253 HB2 CYS 33 HB2 CYS 33 20.396 8.837 -5.951 254 HB3 CYS 33 HB1 CYS 33 20.136 8.587 -4.225 255 H VAL 34 H VAL 34 22.887 8.651 -2.460 256 HA VAL 34 HA VAL 34 23.673 6.012 -3.538 257 HB VAL 34 HB VAL 34 25.212 7.815 -1.667 258 HG11 VAL 34 HG11 VAL 34 25.701 5.868 -0.578 259 HG12 VAL 34 HG12 VAL 34 26.760 5.592 -1.960 260 HG13 VAL 34 HG13 VAL 34 25.154 4.865 -1.921 261 HG21 VAL 34 HG21 VAL 34 25.330 7.146 -4.474 262 HG22 VAL 34 HG22 VAL 34 26.799 6.590 -3.675 263 HG23 VAL 34 HG23 VAL 34 26.328 8.286 -3.571 264 H CYS 35 H CYS 35 21.425 5.609 -2.701 265 HA CYS 35 HA CYS 35 20.345 5.690 -0.294 266 HB2 CYS 35 HB2 CYS 35 20.126 2.979 -0.715 267 HB3 CYS 35 HB1 CYS 35 19.092 4.212 -1.446 268 H TYR 36 H TYR 36 20.500 4.703 1.741 269 HA TYR 36 HA TYR 36 22.846 4.529 3.042 270 HB2 TYR 36 HB2 TYR 36 20.323 3.968 3.769 271 HB3 TYR 36 HB1 TYR 36 20.968 2.324 3.712 272 HD1 TYR 36 HD1 TYR 36 22.748 1.609 5.218 273 HD2 TYR 36 HD2 TYR 36 21.218 5.621 5.342 274 HE1 TYR 36 HE1 TYR 36 23.879 1.971 7.396 275 HE2 TYR 36 HE2 TYR 36 22.351 5.984 7.519 276 HH TYR 36 HH TYR 36 23.320 4.863 9.297 277 H ARG 37 H ARG 37 21.282 1.486 2.043 278 HA ARG 37 HA ARG 37 23.879 0.175 1.931 279 HB2 ARG 37 HB2 ARG 37 21.155 -0.977 1.296 280 HB3 ARG 37 HB1 ARG 37 22.633 -1.867 1.663 281 HG2 ARG 37 HG2 ARG 37 21.758 -1.900 3.770 282 HG3 ARG 37 HG1 ARG 37 22.476 -0.293 3.866 283 HD2 ARG 37 HD2 ARG 37 20.191 0.474 2.821 284 HD3 ARG 37 HD1 ARG 37 19.611 -1.070 3.431 285 HE ARG 37 HE ARG 37 21.018 0.714 5.297 286 HH11 ARG 37 HH11 ARG 37 19.830 1.165 7.178 287 HH12 ARG 37 HH12 ARG 37 18.173 0.671 7.289 288 HH21 ARG 37 HH21 ARG 37 18.111 -0.762 4.133 289 HH22 ARG 37 HH22 ARG 37 17.201 -0.420 5.565 290 H LYS 38 H LYS 38 24.961 -0.360 0.112 291 HA LYS 38 HA LYS 38 24.476 0.918 -2.319 292 HB2 LYS 38 HB2 LYS 38 26.591 -0.358 -1.399 293 HB3 LYS 38 HB1 LYS 38 25.896 -1.717 -2.285 294 HG2 LYS 38 HG2 LYS 38 27.222 -0.724 -3.928 295 HG3 LYS 38 HG1 LYS 38 25.659 0.037 -4.229 296 HD2 LYS 38 HD2 LYS 38 26.437 1.881 -2.611 297 HD3 LYS 38 HD1 LYS 38 28.051 1.194 -2.794 298 HE2 LYS 38 HE2 LYS 38 27.330 1.345 -5.395 299 HE3 LYS 38 HE1 LYS 38 26.403 2.700 -4.752 300 HZ1 LYS 38 HZ1 LYS 38 28.413 3.590 -3.782 301 HZ2 LYS 38 HZ2 LYS 38 28.624 3.370 -5.452 302 HZ3 LYS 38 HZ3 LYS 38 29.314 2.272 -4.354 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 21.746 17.096 -2.422 2 HA2 GLY 1 HA2 GLY 1 21.663 17.622 -4.681 3 HA3 GLY 1 HA1 GLY 1 23.211 16.783 -4.719 4 H PHE 2 H PHE 2 21.301 16.837 -6.840 5 HA PHE 2 HA PHE 2 20.392 15.410 -8.386 6 HB2 PHE 2 HB2 PHE 2 22.442 14.104 -8.054 7 HB3 PHE 2 HB1 PHE 2 21.698 13.279 -6.689 8 HD1 PHE 2 HD1 PHE 2 20.632 14.180 -10.182 9 HD2 PHE 2 HD2 PHE 2 20.986 11.124 -7.182 10 HE1 PHE 2 HE1 PHE 2 19.585 12.545 -11.724 11 HE2 PHE 2 HE2 PHE 2 19.940 9.489 -8.726 12 HZ PHE 2 HZ PHE 2 19.238 10.200 -10.997 13 H GLY 3 H GLY 3 19.861 14.707 -5.012 14 HA2 GLY 3 HA2 GLY 3 17.092 13.953 -5.681 15 HA3 GLY 3 HA1 GLY 3 18.036 12.951 -4.588 16 H CYS 4 H CYS 4 16.870 13.257 -2.747 17 HA CYS 4 HA CYS 4 15.533 15.329 -1.706 18 HB2 CYS 4 HB2 CYS 4 17.042 14.554 0.499 19 HB3 CYS 4 HB1 CYS 4 15.528 13.825 -0.039 20 HA PRO 5 HA PRO 5 15.430 16.072 0.476 21 HB2 PRO 5 HB2 PRO 5 14.734 18.551 1.352 22 HB3 PRO 5 HB1 PRO 5 15.992 17.576 2.135 23 HG2 PRO 5 HG2 PRO 5 16.257 19.901 0.321 24 HG3 PRO 5 HG1 PRO 5 17.278 19.397 1.676 25 HD2 PRO 5 HD2 PRO 5 17.854 18.965 -1.033 26 HD3 PRO 5 HD1 PRO 5 18.615 18.116 0.329 27 H PHE 6 H PHE 6 15.843 17.232 -2.433 28 HA PHE 6 HA PHE 6 13.193 18.409 -2.849 29 HB2 PHE 6 HB2 PHE 6 15.450 17.977 -4.819 30 HB3 PHE 6 HB1 PHE 6 13.989 18.927 -5.092 31 HD1 PHE 6 HD1 PHE 6 17.342 18.950 -3.789 32 HD2 PHE 6 HD2 PHE 6 13.528 20.909 -3.532 33 HE1 PHE 6 HE1 PHE 6 18.427 20.927 -2.755 34 HE2 PHE 6 HE2 PHE 6 14.613 22.886 -2.499 35 HZ PHE 6 HZ PHE 6 17.062 22.895 -2.109 36 H ASN 7 H ASN 7 15.034 16.213 -4.939 37 HA ASN 7 HA ASN 7 12.583 14.649 -5.363 38 HB2 ASN 7 HB2 ASN 7 14.368 15.623 -7.162 39 HB3 ASN 7 HB1 ASN 7 15.015 14.003 -6.914 40 HD21 ASN 7 HD21 ASN 7 12.766 12.432 -6.595 41 HD22 ASN 7 HD22 ASN 7 11.772 12.533 -7.968 42 H GLN 8 H GLN 8 12.902 13.762 -3.136 43 HA GLN 8 HA GLN 8 15.088 12.036 -2.548 44 HB2 GLN 8 HB2 GLN 8 13.559 13.086 -0.851 45 HB3 GLN 8 HB1 GLN 8 12.308 11.952 -1.362 46 HG2 GLN 8 HG2 GLN 8 14.048 10.109 -0.914 47 HG3 GLN 8 HG1 GLN 8 14.953 11.344 -0.042 48 HE21 GLN 8 HE21 GLN 8 11.707 12.133 0.253 49 HE22 GLN 8 HE22 GLN 8 11.387 11.375 1.738 50 H GLY 9 H GLY 9 11.906 11.544 -3.986 51 HA2 GLY 9 HA2 GLY 9 11.807 8.746 -3.902 52 HA3 GLY 9 HA1 GLY 9 10.993 9.748 -5.093 53 H LYS 10 H LYS 10 13.131 10.893 -6.436 54 HA LYS 10 HA LYS 10 13.777 8.999 -8.335 55 HB2 LYS 10 HB2 LYS 10 14.093 11.457 -8.604 56 HB3 LYS 10 HB1 LYS 10 15.515 11.354 -7.568 57 HG2 LYS 10 HG2 LYS 10 16.474 11.179 -9.687 58 HG3 LYS 10 HG1 LYS 10 16.266 9.483 -9.247 59 HD2 LYS 10 HD2 LYS 10 14.041 9.530 -10.440 60 HD3 LYS 10 HD1 LYS 10 14.452 11.146 -11.015 61 HE2 LYS 10 HE2 LYS 10 16.667 10.003 -11.830 62 HE3 LYS 10 HE1 LYS 10 15.729 8.514 -11.704 63 HZ1 LYS 10 HZ1 LYS 10 15.711 9.818 -13.905 64 HZ2 LYS 10 HZ2 LYS 10 14.621 10.851 -13.113 65 HZ3 LYS 10 HZ3 LYS 10 14.248 9.205 -13.308 66 H CYS 11 H CYS 11 15.307 9.613 -5.263 67 HA CYS 11 HA CYS 11 17.356 7.581 -5.901 68 HB2 CYS 11 HB2 CYS 11 18.069 9.929 -5.163 69 HB3 CYS 11 HB1 CYS 11 17.449 9.493 -3.571 70 H HIS 12 H HIS 12 14.591 8.298 -3.968 71 HA HIS 12 HA HIS 12 15.184 6.040 -2.165 72 HB2 HIS 12 HB2 HIS 12 14.559 7.981 -0.933 73 HB3 HIS 12 HB1 HIS 12 13.190 8.300 -1.999 74 HD1 HIS 12 HD1 HIS 12 14.331 5.265 0.036 75 HD2 HIS 12 HD2 HIS 12 10.879 7.462 -0.762 76 HE1 HIS 12 HE1 HIS 12 12.460 4.157 1.335 77 HE2 HIS 12 HE2 HIS 12 10.348 5.484 0.857 78 H ARG 13 H ARG 13 13.592 6.666 -5.028 79 HA ARG 13 HA ARG 13 11.478 4.683 -4.506 80 HB2 ARG 13 HB2 ARG 13 10.260 5.613 -6.226 81 HB3 ARG 13 HB1 ARG 13 11.157 7.032 -5.687 82 HG2 ARG 13 HG2 ARG 13 12.931 6.402 -7.414 83 HG3 ARG 13 HG1 ARG 13 11.762 5.248 -8.054 84 HD2 ARG 13 HD2 ARG 13 10.130 7.122 -8.317 85 HD3 ARG 13 HD1 ARG 13 11.385 8.245 -7.802 86 HE ARG 13 HE ARG 13 12.048 6.540 -10.078 87 HH11 ARG 13 HH11 ARG 13 12.514 7.676 -11.988 88 HH12 ARG 13 HH12 ARG 13 12.161 9.369 -12.092 89 HH21 ARG 13 HH21 ARG 13 10.884 9.570 -8.873 90 HH22 ARG 13 HH22 ARG 13 11.237 10.440 -10.329 91 H HIS 14 H HIS 14 14.177 5.391 -6.703 92 HA HIS 14 HA HIS 14 13.894 3.006 -8.239 93 HB2 HIS 14 HB2 HIS 14 15.335 5.279 -8.562 94 HB3 HIS 14 HB1 HIS 14 16.597 4.183 -7.985 95 HD1 HIS 14 HD1 HIS 14 16.575 1.740 -9.307 96 HD2 HIS 14 HD2 HIS 14 14.830 4.982 -11.262 97 HE1 HIS 14 HE1 HIS 14 16.434 1.108 -11.756 98 HE2 HIS 14 HE2 HIS 14 15.371 3.075 -12.961 99 H CYS 15 H CYS 15 15.847 3.897 -5.413 100 HA CYS 15 HA CYS 15 17.207 1.377 -5.267 101 HB2 CYS 15 HB2 CYS 15 17.627 3.811 -4.119 102 HB3 CYS 15 HB1 CYS 15 16.896 2.930 -2.773 103 H ARG 16 H ARG 16 14.390 2.804 -3.646 104 HA ARG 16 HA ARG 16 13.765 0.955 -1.744 105 HB2 ARG 16 HB2 ARG 16 12.321 2.831 -2.024 106 HB3 ARG 16 HB1 ARG 16 11.940 2.378 -3.686 107 HG2 ARG 16 HG2 ARG 16 10.712 0.443 -2.962 108 HG3 ARG 16 HG1 ARG 16 11.279 0.633 -1.303 109 HD2 ARG 16 HD2 ARG 16 9.970 2.583 -0.962 110 HD3 ARG 16 HD1 ARG 16 9.682 2.788 -2.688 111 HE ARG 16 HE ARG 16 8.492 0.441 -2.291 112 HH11 ARG 16 HH11 ARG 16 6.420 0.083 -1.434 113 HH12 ARG 16 HH12 ARG 16 5.745 1.219 -0.314 114 HH21 ARG 16 HH21 ARG 16 8.505 3.319 -0.369 115 HH22 ARG 16 HH22 ARG 16 6.924 3.053 0.288 116 H SER 17 H SER 17 13.210 0.663 -5.231 117 HA SER 17 HA SER 17 11.794 -1.766 -5.207 118 HB2 SER 17 HB2 SER 17 13.689 -0.745 -7.335 119 HB3 SER 17 HB1 SER 17 12.426 -1.953 -7.554 120 HG SER 17 HG SER 17 11.374 -0.171 -8.094 121 H ILE 18 H ILE 18 15.258 -1.070 -5.183 122 HA ILE 18 HA ILE 18 16.052 -3.811 -5.516 123 HB ILE 18 HB ILE 18 17.743 -1.613 -4.331 124 HG12 ILE 18 HG12 ILE 18 16.747 -0.663 -6.324 125 HG13 ILE 18 HG11 ILE 18 18.394 -1.150 -6.727 126 HG21 ILE 18 HG21 ILE 18 18.856 -3.710 -4.270 127 HG22 ILE 18 HG22 ILE 18 19.468 -2.924 -5.725 128 HG23 ILE 18 HG23 ILE 18 18.233 -4.176 -5.853 129 HD11 ILE 18 HD11 ILE 18 15.831 -2.624 -7.377 130 HD12 ILE 18 HD12 ILE 18 17.430 -3.344 -7.560 131 HD13 ILE 18 HD13 ILE 18 16.986 -1.928 -8.512 132 H ARG 19 H ARG 19 14.137 -3.206 -3.348 133 HA ARG 19 HA ARG 19 13.706 -4.029 -1.248 134 HB2 ARG 19 HB2 ARG 19 16.485 -5.193 -1.228 135 HB3 ARG 19 HB1 ARG 19 15.048 -5.772 -0.387 136 HG2 ARG 19 HG2 ARG 19 14.152 -5.837 -2.947 137 HG3 ARG 19 HG1 ARG 19 15.866 -6.162 -3.208 138 HD2 ARG 19 HD2 ARG 19 15.719 -7.944 -1.436 139 HD3 ARG 19 HD1 ARG 19 13.977 -7.692 -1.404 140 HE ARG 19 HE ARG 19 15.507 -8.987 -3.521 141 HH11 ARG 19 HH11 ARG 19 14.236 -10.005 -5.107 142 HH12 ARG 19 HH12 ARG 19 12.533 -9.691 -5.177 143 HH21 ARG 19 HH21 ARG 19 12.557 -7.503 -2.487 144 HH22 ARG 19 HH22 ARG 19 11.583 -8.275 -3.694 145 H ARG 20 H ARG 20 15.806 -1.675 -1.962 146 HA ARG 20 HA ARG 20 17.157 -1.295 0.540 147 HB2 ARG 20 HB2 ARG 20 17.048 0.001 -2.046 148 HB3 ARG 20 HB1 ARG 20 16.960 1.192 -0.751 149 HG2 ARG 20 HG2 ARG 20 19.291 0.849 -1.184 150 HG3 ARG 20 HG1 ARG 20 18.938 -0.007 0.316 151 HD2 ARG 20 HD2 ARG 20 19.110 -2.095 -0.669 152 HD3 ARG 20 HD1 ARG 20 18.658 -1.496 -2.262 153 HE ARG 20 HE ARG 20 21.089 -0.312 -1.725 154 HH11 ARG 20 HH11 ARG 20 23.052 -1.250 -2.379 155 HH12 ARG 20 HH12 ARG 20 23.144 -2.959 -2.642 156 HH21 ARG 20 HH21 ARG 20 19.821 -3.532 -1.837 157 HH22 ARG 20 HH22 ARG 20 21.317 -4.249 -2.336 158 H ARG 21 H ARG 21 16.792 0.844 1.771 159 HA ARG 21 HA ARG 21 13.891 1.341 2.053 160 HB2 ARG 21 HB2 ARG 21 15.949 0.851 4.206 161 HB3 ARG 21 HB1 ARG 21 14.392 1.614 4.535 162 HG2 ARG 21 HG2 ARG 21 13.296 -0.358 4.420 163 HG3 ARG 21 HG1 ARG 21 14.112 -0.804 2.921 164 HD2 ARG 21 HD2 ARG 21 16.142 -1.388 4.291 165 HD3 ARG 21 HD1 ARG 21 15.177 -1.122 5.739 166 HE ARG 21 HE ARG 21 14.786 -3.288 3.775 167 HH11 ARG 21 HH11 ARG 21 13.644 -5.056 4.608 168 HH12 ARG 21 HH12 ARG 21 12.931 -4.959 6.184 169 HH21 ARG 21 HH21 ARG 21 14.011 -1.718 6.768 170 HH22 ARG 21 HH22 ARG 21 13.139 -3.071 7.405 171 H GLY 22 H GLY 22 16.340 2.743 4.093 172 HA2 GLY 22 HA2 GLY 22 15.557 5.411 3.252 173 HA3 GLY 22 HA1 GLY 22 16.652 5.008 4.571 174 H GLY 23 H GLY 23 17.623 7.000 3.282 175 HA2 GLY 23 HA2 GLY 23 20.001 6.048 2.047 176 HA3 GLY 23 HA1 GLY 23 18.903 6.702 0.840 177 H TYR 24 H TYR 24 21.150 8.004 0.892 178 HA TYR 24 HA TYR 24 20.692 10.397 2.568 179 HB2 TYR 24 HB2 TYR 24 22.868 8.961 2.825 180 HB3 TYR 24 HB1 TYR 24 23.354 9.780 1.339 181 HD1 TYR 24 HD1 TYR 24 24.253 11.948 1.430 182 HD2 TYR 24 HD2 TYR 24 21.975 10.459 4.751 183 HE1 TYR 24 HE1 TYR 24 24.824 13.980 2.734 184 HE2 TYR 24 HE2 TYR 24 22.545 12.488 6.056 185 HH TYR 24 HH TYR 24 23.407 14.573 5.923 186 H CYS 25 H CYS 25 22.101 12.285 1.408 187 HA CYS 25 HA CYS 25 21.741 12.317 -1.472 188 HB2 CYS 25 HB2 CYS 25 20.341 14.579 -0.205 189 HB3 CYS 25 HB1 CYS 25 19.894 13.618 -1.616 190 H ASP 26 H ASP 26 23.308 13.500 -2.348 191 HA ASP 26 HA ASP 26 25.333 14.731 -0.897 192 HB2 ASP 26 HB2 ASP 26 24.550 14.534 -3.700 193 HB3 ASP 26 HB1 ASP 26 25.338 16.066 -3.327 194 H GLY 27 H GLY 27 25.758 17.229 -2.005 195 HA2 GLY 27 HA2 GLY 27 24.160 18.878 -0.281 196 HA3 GLY 27 HA1 GLY 27 25.429 19.427 -1.370 197 H PHE 28 H PHE 28 24.036 21.214 -1.917 198 HA PHE 28 HA PHE 28 21.471 20.870 -3.086 199 HB2 PHE 28 HB2 PHE 28 21.924 23.034 -2.278 200 HB3 PHE 28 HB1 PHE 28 23.486 23.107 -3.094 201 HD1 PHE 28 HD1 PHE 28 23.674 23.970 -5.289 202 HD2 PHE 28 HD2 PHE 28 19.807 22.959 -3.715 203 HE1 PHE 28 HE1 PHE 28 22.597 25.018 -7.262 204 HE2 PHE 28 HE2 PHE 28 18.730 24.006 -5.688 205 HZ PHE 28 HZ PHE 28 20.125 25.035 -7.462 206 H LEU 29 H LEU 29 24.701 21.352 -4.494 207 HA LEU 29 HA LEU 29 23.968 21.366 -7.193 208 HB2 LEU 29 HB2 LEU 29 26.512 20.206 -6.039 209 HB3 LEU 29 HB1 LEU 29 26.280 20.852 -7.664 210 HG LEU 29 HG LEU 29 25.785 22.547 -5.217 211 HD11 LEU 29 HD11 LEU 29 28.297 21.473 -6.028 212 HD12 LEU 29 HD12 LEU 29 27.991 22.703 -4.804 213 HD13 LEU 29 HD13 LEU 29 28.285 23.178 -6.476 214 HD21 LEU 29 HD21 LEU 29 26.244 23.006 -8.166 215 HD22 LEU 29 HD22 LEU 29 26.475 24.304 -6.994 216 HD23 LEU 29 HD23 LEU 29 24.892 23.546 -7.170 217 H LYS 30 H LYS 30 23.657 19.793 -8.721 218 HA LYS 30 HA LYS 30 22.712 17.251 -7.863 219 HB2 LYS 30 HB2 LYS 30 23.326 18.449 -10.557 220 HB3 LYS 30 HB1 LYS 30 22.816 16.769 -10.392 221 HG2 LYS 30 HG2 LYS 30 20.709 17.356 -9.542 222 HG3 LYS 30 HG1 LYS 30 21.244 18.968 -9.067 223 HD2 LYS 30 HD2 LYS 30 19.770 18.847 -11.155 224 HD3 LYS 30 HD1 LYS 30 21.288 19.728 -11.330 225 HE2 LYS 30 HE2 LYS 30 22.339 17.870 -12.429 226 HE3 LYS 30 HE1 LYS 30 20.996 16.799 -12.034 227 HZ1 LYS 30 HZ1 LYS 30 21.186 18.869 -14.084 228 HZ2 LYS 30 HZ2 LYS 30 19.678 18.663 -13.329 229 HZ3 LYS 30 HZ3 LYS 30 20.412 17.360 -14.135 230 H GLN 31 H GLN 31 24.781 16.839 -6.601 231 HA GLN 31 HA GLN 31 27.104 16.026 -8.104 232 HB2 GLN 31 HB2 GLN 31 26.401 15.596 -5.192 233 HB3 GLN 31 HB1 GLN 31 27.989 15.346 -5.920 234 HG2 GLN 31 HG2 GLN 31 28.157 17.695 -6.500 235 HG3 GLN 31 HG1 GLN 31 26.505 17.987 -5.960 236 HE21 GLN 31 HE21 GLN 31 28.040 19.627 -4.623 237 HE22 GLN 31 HE22 GLN 31 28.494 19.057 -3.091 238 H ARG 32 H ARG 32 25.371 14.097 -5.673 239 HA ARG 32 HA ARG 32 24.552 12.032 -7.426 240 HB2 ARG 32 HB2 ARG 32 27.322 12.015 -6.901 241 HB3 ARG 32 HB1 ARG 32 26.633 10.728 -5.911 242 HG2 ARG 32 HG2 ARG 32 25.990 11.075 -8.850 243 HG3 ARG 32 HG1 ARG 32 27.287 10.034 -8.263 244 HD2 ARG 32 HD2 ARG 32 25.724 8.416 -8.077 245 HD3 ARG 32 HD1 ARG 32 25.121 9.309 -6.685 246 HE ARG 32 HE ARG 32 23.785 10.549 -8.598 247 HH11 ARG 32 HH11 ARG 32 21.928 9.841 -9.695 248 HH12 ARG 32 HH12 ARG 32 21.648 8.146 -9.912 249 HH21 ARG 32 HH21 ARG 32 24.543 7.187 -8.262 250 HH22 ARG 32 HH22 ARG 32 23.127 6.645 -9.099 251 H CYS 33 H CYS 33 23.589 10.256 -6.316 252 HA CYS 33 HA CYS 33 23.288 10.658 -3.401 253 HB2 CYS 33 HB2 CYS 33 20.986 10.448 -3.505 254 HB3 CYS 33 HB1 CYS 33 21.299 11.310 -5.010 255 H VAL 34 H VAL 34 23.294 8.832 -2.155 256 HA VAL 34 HA VAL 34 23.396 6.226 -3.530 257 HB VAL 34 HB VAL 34 25.262 6.957 -1.273 258 HG11 VAL 34 HG11 VAL 34 24.632 4.566 -2.824 259 HG12 VAL 34 HG12 VAL 34 25.569 4.722 -1.338 260 HG13 VAL 34 HG13 VAL 34 26.347 4.969 -2.902 261 HG21 VAL 34 HG21 VAL 34 26.062 8.388 -2.934 262 HG22 VAL 34 HG22 VAL 34 25.523 7.337 -4.242 263 HG23 VAL 34 HG23 VAL 34 26.950 6.909 -3.299 264 H CYS 35 H CYS 35 21.710 5.113 -2.742 265 HA CYS 35 HA CYS 35 20.474 5.726 -0.263 266 HB2 CYS 35 HB2 CYS 35 19.484 3.287 -0.790 267 HB3 CYS 35 HB1 CYS 35 18.921 4.748 -1.603 268 H TYR 36 H TYR 36 21.594 5.491 1.540 269 HA TYR 36 HA TYR 36 23.364 4.519 2.852 270 HB2 TYR 36 HB2 TYR 36 20.963 4.348 3.748 271 HB3 TYR 36 HB1 TYR 36 21.043 2.647 3.283 272 HD1 TYR 36 HD1 TYR 36 22.753 1.145 4.308 273 HD2 TYR 36 HD2 TYR 36 22.193 5.193 5.632 274 HE1 TYR 36 HE1 TYR 36 24.005 0.638 6.387 275 HE2 TYR 36 HE2 TYR 36 23.446 4.686 7.712 276 HH TYR 36 HH TYR 36 24.478 3.127 8.901 277 H ARG 37 H ARG 37 21.528 1.628 1.925 278 HA ARG 37 HA ARG 37 23.617 -0.168 2.033 279 HB2 ARG 37 HB2 ARG 37 21.143 -0.163 0.295 280 HB3 ARG 37 HB1 ARG 37 22.249 -1.530 0.391 281 HG2 ARG 37 HG2 ARG 37 20.715 -2.097 2.046 282 HG3 ARG 37 HG1 ARG 37 21.928 -1.239 2.992 283 HD2 ARG 37 HD2 ARG 37 20.138 0.727 1.994 284 HD3 ARG 37 HD1 ARG 37 19.149 -0.589 2.616 285 HE ARG 37 HE ARG 37 20.972 1.098 4.163 286 HH11 ARG 37 HH11 ARG 37 20.718 0.902 6.412 287 HH12 ARG 37 HH12 ARG 37 19.720 -0.358 7.058 288 HH21 ARG 37 HH21 ARG 37 18.885 -1.653 3.953 289 HH22 ARG 37 HH22 ARG 37 18.683 -1.804 5.666 290 H LYS 38 H LYS 38 25.548 0.257 1.107 291 HA LYS 38 HA LYS 38 25.660 1.233 -1.653 292 HB2 LYS 38 HB2 LYS 38 27.127 2.046 0.361 293 HB3 LYS 38 HB1 LYS 38 28.074 0.600 0.015 294 HG2 LYS 38 HG2 LYS 38 27.336 2.502 -2.204 295 HG3 LYS 38 HG1 LYS 38 28.729 2.825 -1.174 296 HD2 LYS 38 HD2 LYS 38 29.529 0.473 -1.702 297 HD3 LYS 38 HD1 LYS 38 28.258 0.400 -2.924 298 HE2 LYS 38 HE2 LYS 38 29.786 1.330 -4.318 299 HE3 LYS 38 HE1 LYS 38 29.453 2.832 -3.455 300 HZ1 LYS 38 HZ1 LYS 38 31.855 1.487 -3.580 301 HZ2 LYS 38 HZ2 LYS 38 31.281 1.221 -2.004 302 HZ3 LYS 38 HZ3 LYS 38 31.475 2.806 -2.585 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 22.761 16.433 -3.487 2 HA2 GLY 1 HA2 GLY 1 21.264 17.335 -5.000 3 HA3 GLY 1 HA1 GLY 1 22.603 17.434 -6.137 4 H PHE 2 H PHE 2 20.868 16.878 -7.693 5 HA PHE 2 HA PHE 2 19.981 15.385 -9.191 6 HB2 PHE 2 HB2 PHE 2 22.215 14.296 -9.000 7 HB3 PHE 2 HB1 PHE 2 21.571 13.292 -7.702 8 HD1 PHE 2 HD1 PHE 2 20.499 14.407 -11.127 9 HD2 PHE 2 HD2 PHE 2 20.857 11.173 -8.324 10 HE1 PHE 2 HE1 PHE 2 19.529 12.853 -12.798 11 HE2 PHE 2 HE2 PHE 2 19.889 9.618 -9.994 12 HZ PHE 2 HZ PHE 2 19.223 10.458 -12.231 13 H GLY 3 H GLY 3 19.814 14.724 -5.794 14 HA2 GLY 3 HA2 GLY 3 17.083 13.719 -6.172 15 HA3 GLY 3 HA1 GLY 3 18.214 12.733 -5.255 16 H CYS 4 H CYS 4 17.254 12.879 -3.281 17 HA CYS 4 HA CYS 4 15.940 14.764 -1.956 18 HB2 CYS 4 HB2 CYS 4 17.744 14.117 0.010 19 HB3 CYS 4 HB1 CYS 4 16.355 13.129 -0.444 20 HA PRO 5 HA PRO 5 15.773 15.738 -0.037 21 HB2 PRO 5 HB2 PRO 5 15.033 18.220 0.742 22 HB3 PRO 5 HB1 PRO 5 16.364 17.345 1.524 23 HG2 PRO 5 HG2 PRO 5 16.455 19.564 -0.442 24 HG3 PRO 5 HG1 PRO 5 17.529 19.213 0.921 25 HD2 PRO 5 HD2 PRO 5 18.075 18.614 -1.760 26 HD3 PRO 5 HD1 PRO 5 18.900 17.898 -0.359 27 H PHE 6 H PHE 6 16.225 17.483 -2.873 28 HA PHE 6 HA PHE 6 13.789 18.657 -3.476 29 HB2 PHE 6 HB2 PHE 6 15.718 17.194 -5.289 30 HB3 PHE 6 HB1 PHE 6 14.379 18.187 -5.864 31 HD1 PHE 6 HD1 PHE 6 17.746 18.179 -4.518 32 HD2 PHE 6 HD2 PHE 6 14.297 20.635 -5.240 33 HE1 PHE 6 HE1 PHE 6 19.139 20.213 -4.254 34 HE2 PHE 6 HE2 PHE 6 15.690 22.669 -4.975 35 HZ PHE 6 HZ PHE 6 18.112 22.458 -4.482 36 H ASN 7 H ASN 7 14.522 15.794 -5.348 37 HA ASN 7 HA ASN 7 11.784 14.835 -4.843 38 HB2 ASN 7 HB2 ASN 7 12.006 13.612 -6.937 39 HB3 ASN 7 HB1 ASN 7 12.404 15.311 -7.189 40 HD21 ASN 7 HD21 ASN 7 13.730 14.632 -9.083 41 HD22 ASN 7 HD22 ASN 7 15.269 13.960 -8.835 42 H GLN 8 H GLN 8 13.192 14.220 -2.733 43 HA GLN 8 HA GLN 8 14.913 12.187 -2.445 44 HB2 GLN 8 HB2 GLN 8 13.710 13.267 -0.569 45 HB3 GLN 8 HB1 GLN 8 12.268 12.339 -0.979 46 HG2 GLN 8 HG2 GLN 8 13.543 10.241 -0.636 47 HG3 GLN 8 HG1 GLN 8 14.951 11.190 -0.162 48 HE21 GLN 8 HE21 GLN 8 11.541 10.547 0.768 49 HE22 GLN 8 HE22 GLN 8 11.762 10.917 2.410 50 H GLY 9 H GLY 9 11.652 11.913 -3.687 51 HA2 GLY 9 HA2 GLY 9 11.360 9.108 -3.558 52 HA3 GLY 9 HA1 GLY 9 10.504 10.174 -4.664 53 H LYS 10 H LYS 10 12.539 11.205 -6.205 54 HA LYS 10 HA LYS 10 12.934 9.288 -8.152 55 HB2 LYS 10 HB2 LYS 10 13.406 11.862 -8.157 56 HB3 LYS 10 HB1 LYS 10 15.038 11.378 -7.700 57 HG2 LYS 10 HG2 LYS 10 13.602 10.157 -10.061 58 HG3 LYS 10 HG1 LYS 10 14.574 11.621 -10.213 59 HD2 LYS 10 HD2 LYS 10 16.192 9.853 -8.763 60 HD3 LYS 10 HD1 LYS 10 15.443 8.851 -10.006 61 HE2 LYS 10 HE2 LYS 10 17.519 9.821 -10.872 62 HE3 LYS 10 HE1 LYS 10 16.137 10.506 -11.728 63 HZ1 LYS 10 HZ1 LYS 10 16.726 12.006 -9.393 64 HZ2 LYS 10 HZ2 LYS 10 16.661 12.520 -11.011 65 HZ3 LYS 10 HZ3 LYS 10 18.102 11.885 -10.376 66 H CYS 11 H CYS 11 14.655 9.763 -5.183 67 HA CYS 11 HA CYS 11 16.599 7.684 -5.992 68 HB2 CYS 11 HB2 CYS 11 17.450 9.994 -5.252 69 HB3 CYS 11 HB1 CYS 11 16.937 9.525 -3.630 70 H HIS 12 H HIS 12 14.042 8.515 -3.809 71 HA HIS 12 HA HIS 12 14.637 6.196 -2.099 72 HB2 HIS 12 HB2 HIS 12 14.133 8.154 -0.831 73 HB3 HIS 12 HB1 HIS 12 12.701 8.497 -1.804 74 HD1 HIS 12 HD1 HIS 12 10.619 7.854 -0.611 75 HD2 HIS 12 HD2 HIS 12 13.766 5.285 0.327 76 HE1 HIS 12 HE1 HIS 12 9.685 6.132 0.995 77 HE2 HIS 12 HE2 HIS 12 11.592 4.559 1.576 78 H ARG 13 H ARG 13 12.908 6.930 -4.856 79 HA ARG 13 HA ARG 13 10.778 4.982 -4.283 80 HB2 ARG 13 HB2 ARG 13 9.511 5.989 -5.919 81 HB3 ARG 13 HB1 ARG 13 10.494 7.369 -5.430 82 HG2 ARG 13 HG2 ARG 13 12.138 6.717 -7.244 83 HG3 ARG 13 HG1 ARG 13 10.943 5.546 -7.806 84 HD2 ARG 13 HD2 ARG 13 10.589 8.548 -7.614 85 HD3 ARG 13 HD1 ARG 13 10.684 7.590 -9.088 86 HE ARG 13 HE ARG 13 8.392 7.786 -7.286 87 HH11 ARG 13 HH11 ARG 13 6.478 6.890 -8.121 88 HH12 ARG 13 HH12 ARG 13 6.537 5.916 -9.551 89 HH21 ARG 13 HH21 ARG 13 9.968 6.228 -9.943 90 HH22 ARG 13 HH22 ARG 13 8.513 5.540 -10.584 91 H HIS 14 H HIS 14 13.456 5.661 -6.488 92 HA HIS 14 HA HIS 14 13.096 3.333 -8.106 93 HB2 HIS 14 HB2 HIS 14 14.460 5.524 -8.567 94 HB3 HIS 14 HB1 HIS 14 15.759 4.667 -7.733 95 HD1 HIS 14 HD1 HIS 14 14.915 1.791 -8.815 96 HD2 HIS 14 HD2 HIS 14 15.549 5.180 -11.159 97 HE1 HIS 14 HE1 HIS 14 15.459 0.959 -11.144 98 HE2 HIS 14 HE2 HIS 14 15.851 3.014 -12.585 99 H CYS 15 H CYS 15 15.004 4.090 -5.233 100 HA CYS 15 HA CYS 15 16.327 1.524 -5.205 101 HB2 CYS 15 HB2 CYS 15 16.885 3.952 -4.073 102 HB3 CYS 15 HB1 CYS 15 16.242 3.055 -2.694 103 H ARG 16 H ARG 16 13.596 3.045 -3.548 104 HA ARG 16 HA ARG 16 13.039 1.241 -1.555 105 HB2 ARG 16 HB2 ARG 16 11.579 3.059 -1.636 106 HB3 ARG 16 HB1 ARG 16 11.263 2.855 -3.361 107 HG2 ARG 16 HG2 ARG 16 9.938 0.884 -2.967 108 HG3 ARG 16 HG1 ARG 16 10.419 0.833 -1.270 109 HD2 ARG 16 HD2 ARG 16 9.328 3.092 -0.985 110 HD3 ARG 16 HD1 ARG 16 8.696 2.925 -2.621 111 HE ARG 16 HE ARG 16 8.016 0.617 -1.147 112 HH11 ARG 16 HH11 ARG 16 5.907 0.422 -0.335 113 HH12 ARG 16 HH12 ARG 16 4.925 1.836 -0.142 114 HH21 ARG 16 HH21 ARG 16 7.357 4.010 -1.318 115 HH22 ARG 16 HH22 ARG 16 5.747 3.867 -0.697 116 H SER 17 H SER 17 12.745 0.815 -5.000 117 HA SER 17 HA SER 17 11.185 -1.622 -4.796 118 HB2 SER 17 HB2 SER 17 10.890 -1.375 -7.024 119 HB3 SER 17 HB1 SER 17 11.608 0.218 -6.804 120 HG SER 17 HG SER 17 12.550 -1.430 -8.387 121 H ILE 18 H ILE 18 14.514 -0.673 -4.897 122 HA ILE 18 HA ILE 18 15.503 -3.320 -5.555 123 HB ILE 18 HB ILE 18 17.052 -0.931 -4.535 124 HG12 ILE 18 HG12 ILE 18 15.876 -0.192 -6.495 125 HG13 ILE 18 HG11 ILE 18 17.509 -0.602 -7.021 126 HG21 ILE 18 HG21 ILE 18 18.590 -2.383 -6.320 127 HG22 ILE 18 HG22 ILE 18 17.704 -3.640 -5.457 128 HG23 ILE 18 HG23 ILE 18 18.697 -2.489 -4.563 129 HD11 ILE 18 HD11 ILE 18 14.976 -2.207 -7.377 130 HD12 ILE 18 HD12 ILE 18 16.571 -2.937 -7.550 131 HD13 ILE 18 HD13 ILE 18 16.082 -1.625 -8.622 132 H ARG 19 H ARG 19 13.879 -3.630 -3.457 133 HA ARG 19 HA ARG 19 13.698 -4.278 -1.253 134 HB2 ARG 19 HB2 ARG 19 15.374 -5.903 -0.564 135 HB3 ARG 19 HB1 ARG 19 14.985 -6.138 -2.268 136 HG2 ARG 19 HG2 ARG 19 17.004 -5.084 -2.978 137 HG3 ARG 19 HG1 ARG 19 17.320 -4.441 -1.366 138 HD2 ARG 19 HD2 ARG 19 18.023 -6.487 -0.534 139 HD3 ARG 19 HD1 ARG 19 17.067 -7.404 -1.695 140 HE ARG 19 HE ARG 19 19.289 -5.853 -2.790 141 HH11 ARG 19 HH11 ARG 19 20.848 -7.101 -3.869 142 HH12 ARG 19 HH12 ARG 19 20.819 -8.827 -3.724 143 HH21 ARG 19 HH21 ARG 19 18.045 -8.874 -1.647 144 HH22 ARG 19 HH22 ARG 19 19.233 -9.831 -2.467 145 H ARG 20 H ARG 20 15.425 -1.718 -1.992 146 HA ARG 20 HA ARG 20 17.086 -1.412 0.344 147 HB2 ARG 20 HB2 ARG 20 16.623 0.008 -2.125 148 HB3 ARG 20 HB1 ARG 20 16.529 1.127 -0.767 149 HG2 ARG 20 HG2 ARG 20 18.818 1.126 -1.263 150 HG3 ARG 20 HG1 ARG 20 18.722 -0.055 0.039 151 HD2 ARG 20 HD2 ARG 20 18.805 -1.887 -1.496 152 HD3 ARG 20 HD1 ARG 20 18.540 -0.827 -2.877 153 HE ARG 20 HE ARG 20 20.838 0.156 -1.910 154 HH11 ARG 20 HH11 ARG 20 22.916 -0.662 -2.323 155 HH12 ARG 20 HH12 ARG 20 23.122 -2.341 -2.690 156 HH21 ARG 20 HH21 ARG 20 19.744 -3.082 -2.437 157 HH22 ARG 20 HH22 ARG 20 21.325 -3.713 -2.753 158 H ARG 21 H ARG 21 16.747 0.282 1.964 159 HA ARG 21 HA ARG 21 13.883 0.535 2.633 160 HB2 ARG 21 HB2 ARG 21 16.385 0.510 4.310 161 HB3 ARG 21 HB1 ARG 21 14.862 1.137 4.938 162 HG2 ARG 21 HG2 ARG 21 13.780 -0.952 4.739 163 HG3 ARG 21 HG1 ARG 21 15.008 -1.579 3.638 164 HD2 ARG 21 HD2 ARG 21 16.554 -1.930 5.347 165 HD3 ARG 21 HD1 ARG 21 15.808 -0.736 6.404 166 HE ARG 21 HE ARG 21 14.531 -2.456 7.263 167 HH11 ARG 21 HH11 ARG 21 13.600 -4.528 7.265 168 HH12 ARG 21 HH12 ARG 21 13.721 -5.527 5.856 169 HH21 ARG 21 HH21 ARG 21 15.513 -3.191 4.027 170 HH22 ARG 21 HH22 ARG 21 14.803 -4.770 4.022 171 H GLY 22 H GLY 22 16.452 2.483 3.993 172 HA2 GLY 22 HA2 GLY 22 15.054 4.901 3.085 173 HA3 GLY 22 HA1 GLY 22 16.243 4.816 4.381 174 H GLY 23 H GLY 23 17.123 6.726 3.206 175 HA2 GLY 23 HA2 GLY 23 19.468 6.098 1.819 176 HA3 GLY 23 HA1 GLY 23 18.256 6.539 0.627 177 H TYR 24 H TYR 24 20.267 8.188 0.536 178 HA TYR 24 HA TYR 24 19.183 10.684 1.457 179 HB2 TYR 24 HB2 TYR 24 20.646 9.495 3.375 180 HB3 TYR 24 HB1 TYR 24 21.939 10.304 2.490 181 HD1 TYR 24 HD1 TYR 24 18.498 10.978 3.827 182 HD2 TYR 24 HD2 TYR 24 22.409 12.539 2.977 183 HE1 TYR 24 HE1 TYR 24 17.863 13.138 4.869 184 HE2 TYR 24 HE2 TYR 24 21.774 14.697 4.019 185 HH TYR 24 HH TYR 24 19.891 15.959 4.629 186 H CYS 25 H CYS 25 20.594 12.531 0.798 187 HA CYS 25 HA CYS 25 21.925 11.855 -1.739 188 HB2 CYS 25 HB2 CYS 25 20.580 14.333 -0.694 189 HB3 CYS 25 HB1 CYS 25 21.678 14.404 -2.073 190 H ASP 26 H ASP 26 23.861 12.984 -2.336 191 HA ASP 26 HA ASP 26 25.426 14.078 -0.095 192 HB2 ASP 26 HB2 ASP 26 25.891 11.578 -0.614 193 HB3 ASP 26 HB1 ASP 26 26.678 12.185 -2.069 194 H GLY 27 H GLY 27 25.592 16.133 -0.791 195 HA2 GLY 27 HA2 GLY 27 27.323 17.316 -2.293 196 HA3 GLY 27 HA1 GLY 27 26.355 16.630 -3.596 197 H PHE 28 H PHE 28 25.599 18.540 -4.449 198 HA PHE 28 HA PHE 28 23.360 19.742 -3.102 199 HB2 PHE 28 HB2 PHE 28 25.529 20.886 -2.207 200 HB3 PHE 28 HB1 PHE 28 25.548 21.680 -3.782 201 HD1 PHE 28 HD1 PHE 28 23.149 22.605 -4.552 202 HD2 PHE 28 HD2 PHE 28 24.363 21.937 -0.487 203 HE1 PHE 28 HE1 PHE 28 21.413 24.196 -3.773 204 HE2 PHE 28 HE2 PHE 28 22.628 23.529 0.293 205 HZ PHE 28 HZ PHE 28 21.153 24.657 -1.350 206 H LEU 29 H LEU 29 25.718 19.958 -5.735 207 HA LEU 29 HA LEU 29 23.578 20.954 -7.511 208 HB2 LEU 29 HB2 LEU 29 26.567 20.962 -7.986 209 HB3 LEU 29 HB1 LEU 29 25.335 21.754 -8.970 210 HG LEU 29 HG LEU 29 24.884 22.666 -6.347 211 HD11 LEU 29 HD11 LEU 29 27.059 23.552 -5.664 212 HD12 LEU 29 HD12 LEU 29 27.827 22.812 -7.067 213 HD13 LEU 29 HD13 LEU 29 27.155 21.796 -5.793 214 HD21 LEU 29 HD21 LEU 29 25.723 24.828 -7.320 215 HD22 LEU 29 HD22 LEU 29 24.560 24.000 -8.356 216 HD23 LEU 29 HD23 LEU 29 26.283 23.926 -8.728 217 H LYS 30 H LYS 30 22.588 18.993 -8.014 218 HA LYS 30 HA LYS 30 22.492 16.764 -8.766 219 HB2 LYS 30 HB2 LYS 30 23.889 17.935 -11.154 220 HB3 LYS 30 HB1 LYS 30 22.527 16.815 -11.103 221 HG2 LYS 30 HG2 LYS 30 21.068 18.579 -10.238 222 HG3 LYS 30 HG1 LYS 30 22.426 19.706 -10.193 223 HD2 LYS 30 HD2 LYS 30 22.309 20.115 -12.419 224 HD3 LYS 30 HD1 LYS 30 22.068 18.410 -12.805 225 HE2 LYS 30 HE2 LYS 30 20.093 19.835 -13.390 226 HE3 LYS 30 HE1 LYS 30 19.710 18.561 -12.231 227 HZ1 LYS 30 HZ1 LYS 30 20.605 21.004 -11.009 228 HZ2 LYS 30 HZ2 LYS 30 19.255 20.040 -10.647 229 HZ3 LYS 30 HZ3 LYS 30 19.172 21.188 -11.896 230 H GLN 31 H GLN 31 24.305 16.240 -7.138 231 HA GLN 31 HA GLN 31 26.864 15.642 -8.418 232 HB2 GLN 31 HB2 GLN 31 25.899 15.406 -5.563 233 HB3 GLN 31 HB1 GLN 31 27.504 14.907 -6.098 234 HG2 GLN 31 HG2 GLN 31 27.443 17.373 -7.177 235 HG3 GLN 31 HG1 GLN 31 26.368 17.642 -5.807 236 HE21 GLN 31 HE21 GLN 31 29.510 15.945 -6.393 237 HE22 GLN 31 HE22 GLN 31 30.244 16.526 -4.977 238 H ARG 32 H ARG 32 25.231 13.643 -6.000 239 HA ARG 32 HA ARG 32 24.503 11.549 -7.786 240 HB2 ARG 32 HB2 ARG 32 26.288 9.946 -6.700 241 HB3 ARG 32 HB1 ARG 32 26.703 10.911 -8.115 242 HG2 ARG 32 HG2 ARG 32 27.551 12.692 -6.500 243 HG3 ARG 32 HG1 ARG 32 27.377 11.490 -5.222 244 HD2 ARG 32 HD2 ARG 32 28.724 10.103 -7.203 245 HD3 ARG 32 HD1 ARG 32 29.424 11.717 -7.306 246 HE ARG 32 HE ARG 32 30.529 11.231 -5.341 247 HH11 ARG 32 HH11 ARG 32 30.878 10.129 -3.389 248 HH12 ARG 32 HH12 ARG 32 29.719 8.968 -2.836 249 HH21 ARG 32 HH21 ARG 32 27.601 9.397 -5.548 250 HH22 ARG 32 HH22 ARG 32 27.864 8.553 -4.058 251 H CYS 33 H CYS 33 23.093 10.220 -6.814 252 HA CYS 33 HA CYS 33 22.794 10.459 -3.889 253 HB2 CYS 33 HB2 CYS 33 20.831 11.099 -5.278 254 HB3 CYS 33 HB1 CYS 33 20.795 9.463 -5.935 255 H VAL 34 H VAL 34 22.456 8.564 -2.632 256 HA VAL 34 HA VAL 34 22.788 5.967 -3.893 257 HB VAL 34 HB VAL 34 24.892 7.137 -2.063 258 HG11 VAL 34 HG11 VAL 34 25.937 4.816 -2.427 259 HG12 VAL 34 HG12 VAL 34 24.329 4.301 -2.938 260 HG13 VAL 34 HG13 VAL 34 24.582 4.906 -1.302 261 HG21 VAL 34 HG21 VAL 34 25.301 7.757 -4.335 262 HG22 VAL 34 HG22 VAL 34 24.839 6.163 -4.929 263 HG23 VAL 34 HG23 VAL 34 26.342 6.366 -4.031 264 H CYS 35 H CYS 35 20.934 5.229 -2.983 265 HA CYS 35 HA CYS 35 19.971 5.776 -0.432 266 HB2 CYS 35 HB2 CYS 35 19.011 3.271 -0.861 267 HB3 CYS 35 HB1 CYS 35 18.323 4.729 -1.583 268 H TYR 36 H TYR 36 21.061 5.520 1.387 269 HA TYR 36 HA TYR 36 22.878 4.619 2.676 270 HB2 TYR 36 HB2 TYR 36 20.596 4.242 3.653 271 HB3 TYR 36 HB1 TYR 36 20.616 2.628 2.936 272 HD1 TYR 36 HD1 TYR 36 22.466 1.016 3.583 273 HD2 TYR 36 HD2 TYR 36 21.762 4.704 5.671 274 HE1 TYR 36 HE1 TYR 36 23.776 0.174 5.514 275 HE2 TYR 36 HE2 TYR 36 23.073 3.861 7.601 276 HH TYR 36 HH TYR 36 24.898 2.155 7.979 277 H ARG 37 H ARG 37 21.298 1.623 1.623 278 HA ARG 37 HA ARG 37 23.646 0.105 1.546 279 HB2 ARG 37 HB2 ARG 37 21.016 -0.272 0.100 280 HB3 ARG 37 HB1 ARG 37 22.302 -1.477 0.132 281 HG2 ARG 37 HG2 ARG 37 21.107 -2.190 1.966 282 HG3 ARG 37 HG1 ARG 37 22.155 -1.018 2.762 283 HD2 ARG 37 HD2 ARG 37 20.050 0.543 1.869 284 HD3 ARG 37 HD1 ARG 37 19.255 -0.953 2.344 285 HE ARG 37 HE ARG 37 20.622 0.922 4.101 286 HH11 ARG 37 HH11 ARG 37 20.418 0.472 6.316 287 HH12 ARG 37 HH12 ARG 37 19.779 -1.054 6.831 288 HH21 ARG 37 HH21 ARG 37 19.317 -2.245 3.607 289 HH22 ARG 37 HH22 ARG 37 19.156 -2.592 5.296 290 H LYS 38 H LYS 38 25.366 0.491 0.306 291 HA LYS 38 HA LYS 38 25.250 1.937 -2.153 292 HB2 LYS 38 HB2 LYS 38 27.237 1.857 -0.621 293 HB3 LYS 38 HB1 LYS 38 27.504 0.192 -1.139 294 HG2 LYS 38 HG2 LYS 38 28.469 0.869 -3.058 295 HG3 LYS 38 HG1 LYS 38 27.113 1.934 -3.428 296 HD2 LYS 38 HD2 LYS 38 28.050 3.667 -1.959 297 HD3 LYS 38 HD1 LYS 38 29.391 2.601 -1.539 298 HE2 LYS 38 HE2 LYS 38 29.690 4.391 -3.451 299 HE3 LYS 38 HE1 LYS 38 30.369 2.776 -3.646 300 HZ1 LYS 38 HZ1 LYS 38 28.585 2.124 -4.998 301 HZ2 LYS 38 HZ2 LYS 38 29.022 3.665 -5.563 302 HZ3 LYS 38 HZ3 LYS 38 27.649 3.475 -4.581 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 21.017 19.123 -3.599 2 HA2 GLY 1 HA2 GLY 1 20.557 19.100 -5.950 3 HA3 GLY 1 HA1 GLY 1 22.228 18.557 -5.825 4 H PHE 2 H PHE 2 20.648 17.832 -7.986 5 HA PHE 2 HA PHE 2 20.025 16.001 -9.225 6 HB2 PHE 2 HB2 PHE 2 22.150 15.052 -8.702 7 HB3 PHE 2 HB1 PHE 2 21.638 14.654 -7.062 8 HD1 PHE 2 HD1 PHE 2 20.044 14.169 -10.428 9 HD2 PHE 2 HD2 PHE 2 21.482 12.340 -6.817 10 HE1 PHE 2 HE1 PHE 2 19.225 11.968 -11.217 11 HE2 PHE 2 HE2 PHE 2 20.661 10.137 -7.607 12 HZ PHE 2 HZ PHE 2 19.532 9.952 -9.808 13 H GLY 3 H GLY 3 19.864 14.738 -5.908 14 HA2 GLY 3 HA2 GLY 3 16.991 14.206 -6.367 15 HA3 GLY 3 HA1 GLY 3 18.049 13.093 -5.512 16 H CYS 4 H CYS 4 17.049 13.127 -3.535 17 HA CYS 4 HA CYS 4 15.792 14.971 -2.097 18 HB2 CYS 4 HB2 CYS 4 17.500 14.118 -0.140 19 HB3 CYS 4 HB1 CYS 4 16.104 13.205 -0.714 20 HA PRO 5 HA PRO 5 15.661 15.780 -0.086 21 HB2 PRO 5 HB2 PRO 5 15.010 18.213 0.903 22 HB3 PRO 5 HB1 PRO 5 16.308 17.226 1.603 23 HG2 PRO 5 HG2 PRO 5 16.481 19.604 -0.160 24 HG3 PRO 5 HG1 PRO 5 17.548 19.088 1.155 25 HD2 PRO 5 HD2 PRO 5 18.044 18.710 -1.580 26 HD3 PRO 5 HD1 PRO 5 18.862 17.856 -0.255 27 H PHE 6 H PHE 6 16.086 17.247 -2.934 28 HA PHE 6 HA PHE 6 13.457 18.455 -3.259 29 HB2 PHE 6 HB2 PHE 6 15.631 17.963 -5.306 30 HB3 PHE 6 HB1 PHE 6 14.212 18.991 -5.510 31 HD1 PHE 6 HD1 PHE 6 17.581 18.767 -4.215 32 HD2 PHE 6 HD2 PHE 6 13.921 21.004 -3.991 33 HE1 PHE 6 HE1 PHE 6 18.803 20.662 -3.180 34 HE2 PHE 6 HE2 PHE 6 15.143 22.898 -2.957 35 HZ PHE 6 HZ PHE 6 17.584 22.727 -2.551 36 H ASN 7 H ASN 7 15.182 16.120 -5.320 37 HA ASN 7 HA ASN 7 12.616 14.765 -5.802 38 HB2 ASN 7 HB2 ASN 7 14.566 15.620 -7.549 39 HB3 ASN 7 HB1 ASN 7 14.924 13.902 -7.391 40 HD21 ASN 7 HD21 ASN 7 12.866 12.435 -7.601 41 HD22 ASN 7 HD22 ASN 7 11.729 12.902 -8.772 42 H GLN 8 H GLN 8 13.071 13.951 -3.478 43 HA GLN 8 HA GLN 8 15.055 12.022 -2.957 44 HB2 GLN 8 HB2 GLN 8 13.759 13.020 -1.157 45 HB3 GLN 8 HB1 GLN 8 12.273 12.325 -1.803 46 HG2 GLN 8 HG2 GLN 8 12.802 10.188 -1.110 47 HG3 GLN 8 HG1 GLN 8 14.539 10.469 -1.221 48 HE21 GLN 8 HE21 GLN 8 14.195 9.352 1.081 49 HE22 GLN 8 HE22 GLN 8 14.011 10.430 2.378 50 H GLY 9 H GLY 9 11.911 11.801 -4.500 51 HA2 GLY 9 HA2 GLY 9 11.541 9.029 -4.469 52 HA3 GLY 9 HA1 GLY 9 10.918 10.114 -5.702 53 H LYS 10 H LYS 10 13.296 11.072 -6.797 54 HA LYS 10 HA LYS 10 13.923 9.079 -8.657 55 HB2 LYS 10 HB2 LYS 10 14.297 11.542 -8.965 56 HB3 LYS 10 HB1 LYS 10 15.685 11.416 -7.885 57 HG2 LYS 10 HG2 LYS 10 16.693 11.169 -9.974 58 HG3 LYS 10 HG1 LYS 10 16.426 9.490 -9.504 59 HD2 LYS 10 HD2 LYS 10 14.078 9.910 -10.697 60 HD3 LYS 10 HD1 LYS 10 15.009 11.133 -11.561 61 HE2 LYS 10 HE2 LYS 10 16.674 9.426 -12.195 62 HE3 LYS 10 HE1 LYS 10 15.747 8.200 -11.331 63 HZ1 LYS 10 HZ1 LYS 10 14.083 8.231 -12.877 64 HZ2 LYS 10 HZ2 LYS 10 15.416 8.560 -13.874 65 HZ3 LYS 10 HZ3 LYS 10 14.398 9.823 -13.370 66 H CYS 11 H CYS 11 15.233 9.750 -5.513 67 HA CYS 11 HA CYS 11 17.316 7.698 -5.947 68 HB2 CYS 11 HB2 CYS 11 18.181 9.905 -5.262 69 HB3 CYS 11 HB1 CYS 11 17.167 9.848 -3.818 70 H HIS 12 H HIS 12 14.333 8.319 -4.435 71 HA HIS 12 HA HIS 12 14.819 6.251 -2.390 72 HB2 HIS 12 HB2 HIS 12 13.846 8.231 -1.459 73 HB3 HIS 12 HB1 HIS 12 12.612 8.287 -2.716 74 HD1 HIS 12 HD1 HIS 12 13.773 5.493 -0.374 75 HD2 HIS 12 HD2 HIS 12 10.265 7.397 -1.581 76 HE1 HIS 12 HE1 HIS 12 11.872 4.312 0.813 77 HE2 HIS 12 HE2 HIS 12 9.727 5.461 0.086 78 H ARG 13 H ARG 13 13.060 6.871 -5.341 79 HA ARG 13 HA ARG 13 11.343 4.542 -4.983 80 HB2 ARG 13 HB2 ARG 13 11.682 6.521 -7.241 81 HB3 ARG 13 HB1 ARG 13 10.617 5.121 -7.341 82 HG2 ARG 13 HG2 ARG 13 9.847 6.151 -4.943 83 HG3 ARG 13 HG1 ARG 13 10.293 7.627 -5.801 84 HD2 ARG 13 HD2 ARG 13 8.835 6.996 -7.674 85 HD3 ARG 13 HD1 ARG 13 8.408 5.498 -6.852 86 HE ARG 13 HE ARG 13 7.850 7.789 -5.224 87 HH11 ARG 13 HH11 ARG 13 5.662 8.335 -4.946 88 HH12 ARG 13 HH12 ARG 13 4.470 7.685 -6.022 89 HH21 ARG 13 HH21 ARG 13 6.764 5.890 -7.904 90 HH22 ARG 13 HH22 ARG 13 5.094 6.302 -7.698 91 H HIS 14 H HIS 14 14.183 5.501 -6.844 92 HA HIS 14 HA HIS 14 14.302 3.237 -8.526 93 HB2 HIS 14 HB2 HIS 14 15.617 5.484 -8.632 94 HB3 HIS 14 HB1 HIS 14 16.768 4.660 -7.573 95 HD1 HIS 14 HD1 HIS 14 17.154 1.977 -8.585 96 HD2 HIS 14 HD2 HIS 14 16.392 5.095 -11.246 97 HE1 HIS 14 HE1 HIS 14 17.983 1.205 -10.850 98 HE2 HIS 14 HE2 HIS 14 17.525 3.095 -12.484 99 H CYS 15 H CYS 15 16.015 3.903 -5.447 100 HA CYS 15 HA CYS 15 17.125 1.248 -5.418 101 HB2 CYS 15 HB2 CYS 15 17.842 3.568 -4.200 102 HB3 CYS 15 HB1 CYS 15 17.053 2.712 -2.869 103 H ARG 16 H ARG 16 14.420 2.863 -3.770 104 HA ARG 16 HA ARG 16 13.725 0.954 -1.916 105 HB2 ARG 16 HB2 ARG 16 12.385 2.905 -1.989 106 HB3 ARG 16 HB1 ARG 16 11.980 2.662 -3.690 107 HG2 ARG 16 HG2 ARG 16 10.451 0.976 -3.222 108 HG3 ARG 16 HG1 ARG 16 11.248 0.533 -1.711 109 HD2 ARG 16 HD2 ARG 16 9.010 1.782 -1.513 110 HD3 ARG 16 HD1 ARG 16 10.356 2.401 -0.561 111 HE ARG 16 HE ARG 16 10.404 3.740 -3.014 112 HH11 ARG 16 HH11 ARG 16 9.470 5.798 -3.205 113 HH12 ARG 16 HH12 ARG 16 8.260 6.304 -2.074 114 HH21 ARG 16 HH21 ARG 16 8.334 3.344 -0.269 115 HH22 ARG 16 HH22 ARG 16 7.618 4.914 -0.411 116 H SER 17 H SER 17 13.495 0.821 -5.393 117 HA SER 17 HA SER 17 11.798 -1.476 -5.546 118 HB2 SER 17 HB2 SER 17 13.440 0.127 -7.416 119 HB3 SER 17 HB1 SER 17 13.191 -1.556 -7.871 120 HG SER 17 HG SER 17 11.344 -0.803 -8.564 121 H ILE 18 H ILE 18 15.254 -0.920 -5.300 122 HA ILE 18 HA ILE 18 15.942 -3.704 -5.711 123 HB ILE 18 HB ILE 18 17.786 -1.675 -4.485 124 HG12 ILE 18 HG12 ILE 18 17.175 -1.918 -7.445 125 HG13 ILE 18 HG11 ILE 18 16.564 -0.619 -6.420 126 HG21 ILE 18 HG21 ILE 18 19.468 -2.960 -5.594 127 HG22 ILE 18 HG22 ILE 18 18.276 -3.776 -6.606 128 HG23 ILE 18 HG23 ILE 18 18.363 -4.136 -4.880 129 HD11 ILE 18 HD11 ILE 18 19.318 -1.099 -7.427 130 HD12 ILE 18 HD12 ILE 18 19.183 -0.497 -5.775 131 HD13 ILE 18 HD13 ILE 18 18.486 0.423 -7.108 132 H ARG 19 H ARG 19 14.057 -3.599 -3.745 133 HA ARG 19 HA ARG 19 13.601 -4.073 -1.532 134 HB2 ARG 19 HB2 ARG 19 14.878 -5.960 -0.669 135 HB3 ARG 19 HB1 ARG 19 14.543 -6.197 -2.384 136 HG2 ARG 19 HG2 ARG 19 16.771 -5.578 -3.001 137 HG3 ARG 19 HG1 ARG 19 17.119 -4.963 -1.385 138 HD2 ARG 19 HD2 ARG 19 16.450 -7.486 -0.738 139 HD3 ARG 19 HD1 ARG 19 17.044 -7.770 -2.371 140 HE ARG 19 HE ARG 19 19.192 -7.303 -1.615 141 HH11 ARG 19 HH11 ARG 19 20.705 -6.788 0.001 142 HH12 ARG 19 HH12 ARG 19 20.161 -6.154 1.518 143 HH21 ARG 19 HH21 ARG 19 16.805 -6.233 0.650 144 HH22 ARG 19 HH22 ARG 19 17.953 -5.838 1.886 145 H ARG 20 H ARG 20 15.511 -1.768 -2.095 146 HA ARG 20 HA ARG 20 17.260 -1.743 0.212 147 HB2 ARG 20 HB2 ARG 20 17.012 -0.271 -2.229 148 HB3 ARG 20 HB1 ARG 20 16.954 0.869 -0.887 149 HG2 ARG 20 HG2 ARG 20 19.263 0.632 -1.331 150 HG3 ARG 20 HG1 ARG 20 18.989 -0.432 0.045 151 HD2 ARG 20 HD2 ARG 20 18.573 -2.280 -1.712 152 HD3 ARG 20 HD1 ARG 20 19.331 -1.178 -2.858 153 HE ARG 20 HE ARG 20 21.215 -1.207 -1.021 154 HH11 ARG 20 HH11 ARG 20 22.749 -2.816 -0.571 155 HH12 ARG 20 HH12 ARG 20 22.379 -4.475 -0.900 156 HH21 ARG 20 HH21 ARG 20 19.202 -3.804 -2.114 157 HH22 ARG 20 HH22 ARG 20 20.371 -5.035 -1.773 158 H ARG 21 H ARG 21 17.132 -0.038 1.871 159 HA ARG 21 HA ARG 21 14.474 1.117 2.287 160 HB2 ARG 21 HB2 ARG 21 15.761 -0.926 4.086 161 HB3 ARG 21 HB1 ARG 21 14.577 0.230 4.695 162 HG2 ARG 21 HG2 ARG 21 12.940 -0.542 3.034 163 HG3 ARG 21 HG1 ARG 21 14.124 -1.677 2.384 164 HD2 ARG 21 HD2 ARG 21 12.563 -2.789 3.957 165 HD3 ARG 21 HD1 ARG 21 14.225 -2.844 4.538 166 HE ARG 21 HE ARG 21 12.946 -0.545 5.586 167 HH11 ARG 21 HH11 ARG 21 12.241 -0.594 7.744 168 HH12 ARG 21 HH12 ARG 21 12.010 -2.115 8.540 169 HH21 ARG 21 HH21 ARG 21 12.946 -4.000 5.785 170 HH22 ARG 21 HH22 ARG 21 12.408 -4.043 7.430 171 H GLY 22 H GLY 22 16.241 2.856 1.704 172 HA2 GLY 22 HA2 GLY 22 16.514 4.690 3.649 173 HA3 GLY 22 HA1 GLY 22 17.891 3.643 3.971 174 H GLY 23 H GLY 23 18.288 6.288 3.348 175 HA2 GLY 23 HA2 GLY 23 20.233 6.252 1.392 176 HA3 GLY 23 HA1 GLY 23 18.755 6.732 0.564 177 H TYR 24 H TYR 24 20.591 8.571 0.424 178 HA TYR 24 HA TYR 24 19.504 10.838 1.682 179 HB2 TYR 24 HB2 TYR 24 20.901 9.509 3.549 180 HB3 TYR 24 HB1 TYR 24 22.219 10.431 2.822 181 HD1 TYR 24 HD1 TYR 24 19.741 10.523 5.297 182 HD2 TYR 24 HD2 TYR 24 21.551 12.983 2.278 183 HE1 TYR 24 HE1 TYR 24 18.993 12.557 6.504 184 HE2 TYR 24 HE2 TYR 24 20.804 15.017 3.483 185 HH TYR 24 HH TYR 24 19.198 15.712 5.090 186 H CYS 25 H CYS 25 19.979 12.488 0.389 187 HA CYS 25 HA CYS 25 21.820 12.219 -1.768 188 HB2 CYS 25 HB2 CYS 25 20.122 14.460 -0.706 189 HB3 CYS 25 HB1 CYS 25 21.292 14.754 -1.993 190 H ASP 26 H ASP 26 23.779 13.272 -2.146 191 HA ASP 26 HA ASP 26 25.063 14.440 0.252 192 HB2 ASP 26 HB2 ASP 26 25.969 12.208 -0.389 193 HB3 ASP 26 HB1 ASP 26 26.410 12.875 -1.959 194 H GLY 27 H GLY 27 25.171 16.574 -0.045 195 HA2 GLY 27 HA2 GLY 27 26.523 18.315 -1.141 196 HA3 GLY 27 HA1 GLY 27 26.092 17.569 -2.677 197 H PHE 28 H PHE 28 25.444 19.908 -3.049 198 HA PHE 28 HA PHE 28 22.622 20.255 -2.236 199 HB2 PHE 28 HB2 PHE 28 24.293 21.849 -1.131 200 HB3 PHE 28 HB1 PHE 28 24.508 22.555 -2.733 201 HD1 PHE 28 HD1 PHE 28 22.676 23.739 -3.852 202 HD2 PHE 28 HD2 PHE 28 22.184 22.064 0.073 203 HE1 PHE 28 HE1 PHE 28 20.599 25.060 -3.548 204 HE2 PHE 28 HE2 PHE 28 20.107 23.385 0.377 205 HZ PHE 28 HZ PHE 28 19.314 24.882 -1.433 206 H LEU 29 H LEU 29 25.025 20.332 -4.729 207 HA LEU 29 HA LEU 29 22.980 21.209 -6.674 208 HB2 LEU 29 HB2 LEU 29 25.922 21.652 -6.492 209 HB3 LEU 29 HB1 LEU 29 25.212 21.482 -8.098 210 HG LEU 29 HG LEU 29 23.751 23.250 -6.214 211 HD11 LEU 29 HD11 LEU 29 26.155 23.796 -5.783 212 HD12 LEU 29 HD12 LEU 29 25.278 25.123 -6.547 213 HD13 LEU 29 HD13 LEU 29 26.357 24.112 -7.507 214 HD21 LEU 29 HD21 LEU 29 24.645 23.633 -9.087 215 HD22 LEU 29 HD22 LEU 29 23.369 24.511 -8.243 216 HD23 LEU 29 HD23 LEU 29 23.157 22.804 -8.632 217 H LYS 30 H LYS 30 22.713 20.049 -8.572 218 HA LYS 30 HA LYS 30 22.435 17.460 -8.739 219 HB2 LYS 30 HB2 LYS 30 23.631 17.684 -11.150 220 HB3 LYS 30 HB1 LYS 30 22.024 18.324 -10.804 221 HG2 LYS 30 HG2 LYS 30 22.904 20.525 -10.380 222 HG3 LYS 30 HG1 LYS 30 24.563 19.929 -10.428 223 HD2 LYS 30 HD2 LYS 30 23.829 19.111 -12.851 224 HD3 LYS 30 HD1 LYS 30 22.660 20.421 -12.683 225 HE2 LYS 30 HE2 LYS 30 24.923 21.653 -11.798 226 HE3 LYS 30 HE1 LYS 30 25.601 20.545 -12.991 227 HZ1 LYS 30 HZ1 LYS 30 24.801 22.832 -13.772 228 HZ2 LYS 30 HZ2 LYS 30 23.235 22.189 -13.626 229 HZ3 LYS 30 HZ3 LYS 30 24.353 21.475 -14.686 230 H GLN 31 H GLN 31 23.819 16.402 -7.244 231 HA GLN 31 HA GLN 31 26.588 15.985 -8.192 232 HB2 GLN 31 HB2 GLN 31 25.344 16.118 -5.506 233 HB3 GLN 31 HB1 GLN 31 26.592 14.889 -5.724 234 HG2 GLN 31 HG2 GLN 31 27.114 17.651 -6.755 235 HG3 GLN 31 HG1 GLN 31 27.241 17.362 -5.021 236 HE21 GLN 31 HE21 GLN 31 29.270 17.672 -7.473 237 HE22 GLN 31 HE22 GLN 31 30.402 16.453 -7.136 238 H ARG 32 H ARG 32 24.791 13.927 -5.982 239 HA ARG 32 HA ARG 32 23.901 11.960 -7.757 240 HB2 ARG 32 HB2 ARG 32 26.735 11.984 -7.515 241 HB3 ARG 32 HB1 ARG 32 26.145 10.555 -6.666 242 HG2 ARG 32 HG2 ARG 32 25.026 9.736 -8.599 243 HG3 ARG 32 HG1 ARG 32 25.161 11.284 -9.429 244 HD2 ARG 32 HD2 ARG 32 27.017 10.455 -10.408 245 HD3 ARG 32 HD1 ARG 32 27.801 10.624 -8.841 246 HE ARG 32 HE ARG 32 26.882 8.153 -10.063 247 HH11 ARG 32 HH11 ARG 32 27.453 6.267 -8.934 248 HH12 ARG 32 HH12 ARG 32 28.036 6.381 -7.307 249 HH21 ARG 32 HH21 ARG 32 27.793 9.837 -7.179 250 HH22 ARG 32 HH22 ARG 32 28.227 8.401 -6.314 251 H CYS 33 H CYS 33 22.774 10.396 -6.677 252 HA CYS 33 HA CYS 33 22.987 10.428 -3.725 253 HB2 CYS 33 HB2 CYS 33 20.885 11.429 -4.579 254 HB3 CYS 33 HB1 CYS 33 20.525 9.915 -5.410 255 H VAL 34 H VAL 34 22.861 8.474 -2.632 256 HA VAL 34 HA VAL 34 22.583 6.012 -4.189 257 HB VAL 34 HB VAL 34 25.069 6.778 -2.654 258 HG11 VAL 34 HG11 VAL 34 24.757 4.577 -1.927 259 HG12 VAL 34 HG12 VAL 34 25.688 4.337 -3.406 260 HG13 VAL 34 HG13 VAL 34 23.940 4.098 -3.414 261 HG21 VAL 34 HG21 VAL 34 26.134 6.096 -4.815 262 HG22 VAL 34 HG22 VAL 34 25.038 7.466 -4.997 263 HG23 VAL 34 HG23 VAL 34 24.524 5.854 -5.493 264 H CYS 35 H CYS 35 20.982 5.066 -3.111 265 HA CYS 35 HA CYS 35 20.025 5.421 -0.617 266 HB2 CYS 35 HB2 CYS 35 19.682 2.767 -0.731 267 HB3 CYS 35 HB1 CYS 35 18.753 3.887 -1.732 268 H TYR 36 H TYR 36 20.236 4.255 1.406 269 HA TYR 36 HA TYR 36 22.703 4.321 2.581 270 HB2 TYR 36 HB2 TYR 36 20.528 3.983 3.767 271 HB3 TYR 36 HB1 TYR 36 20.554 2.294 3.251 272 HD1 TYR 36 HD1 TYR 36 21.542 0.718 4.657 273 HD2 TYR 36 HD2 TYR 36 22.769 4.826 4.919 274 HE1 TYR 36 HE1 TYR 36 23.015 0.157 6.572 275 HE2 TYR 36 HE2 TYR 36 24.241 4.264 6.834 276 HH TYR 36 HH TYR 36 24.661 2.656 8.418 277 H ARG 37 H ARG 37 21.238 1.131 2.070 278 HA ARG 37 HA ARG 37 23.646 -0.282 2.049 279 HB2 ARG 37 HB2 ARG 37 20.992 -0.960 0.761 280 HB3 ARG 37 HB1 ARG 37 22.327 -2.098 0.949 281 HG2 ARG 37 HG2 ARG 37 21.329 -2.585 2.934 282 HG3 ARG 37 HG1 ARG 37 22.123 -1.112 3.490 283 HD2 ARG 37 HD2 ARG 37 20.028 0.123 2.651 284 HD3 ARG 37 HD1 ARG 37 19.270 -1.464 2.564 285 HE ARG 37 HE ARG 37 19.707 0.046 4.931 286 HH11 ARG 37 HH11 ARG 37 19.314 -0.969 6.924 287 HH12 ARG 37 HH12 ARG 37 19.255 -2.697 7.014 288 HH21 ARG 37 HH21 ARG 37 19.869 -3.159 3.632 289 HH22 ARG 37 HH22 ARG 37 19.568 -3.938 5.149 290 H LYS 38 H LYS 38 24.774 -1.316 0.295 291 HA LYS 38 HA LYS 38 24.789 0.352 -2.133 292 HB2 LYS 38 HB2 LYS 38 26.892 -0.016 -0.694 293 HB3 LYS 38 HB1 LYS 38 26.904 -1.649 -1.359 294 HG2 LYS 38 HG2 LYS 38 27.855 -0.885 -3.248 295 HG3 LYS 38 HG1 LYS 38 26.480 0.187 -3.516 296 HD2 LYS 38 HD2 LYS 38 27.493 1.957 -2.276 297 HD3 LYS 38 HD1 LYS 38 28.728 0.884 -1.617 298 HE2 LYS 38 HE2 LYS 38 29.996 0.955 -3.518 299 HE3 LYS 38 HE1 LYS 38 28.587 1.027 -4.577 300 HZ1 LYS 38 HZ1 LYS 38 30.035 3.098 -4.375 301 HZ2 LYS 38 HZ2 LYS 38 29.323 3.304 -2.847 302 HZ3 LYS 38 HZ3 LYS 38 28.356 3.300 -4.244 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 23.129 16.511 -3.455 2 HA2 GLY 1 HA2 GLY 1 21.583 18.355 -5.184 3 HA3 GLY 1 HA1 GLY 1 23.057 17.530 -5.684 4 H PHE 2 H PHE 2 21.643 16.878 -7.521 5 HA PHE 2 HA PHE 2 20.611 15.154 -8.649 6 HB2 PHE 2 HB2 PHE 2 21.956 13.754 -6.969 7 HB3 PHE 2 HB1 PHE 2 20.457 13.639 -6.048 8 HD1 PHE 2 HD1 PHE 2 21.534 13.378 -9.637 9 HD2 PHE 2 HD2 PHE 2 19.161 11.754 -6.447 10 HE1 PHE 2 HE1 PHE 2 20.743 11.575 -11.144 11 HE2 PHE 2 HE2 PHE 2 18.369 9.950 -7.955 12 HZ PHE 2 HZ PHE 2 19.160 9.862 -10.304 13 H GLY 3 H GLY 3 19.232 15.086 -5.357 14 HA2 GLY 3 HA2 GLY 3 16.756 16.267 -6.235 15 HA3 GLY 3 HA1 GLY 3 16.627 14.545 -5.880 16 H CYS 4 H CYS 4 15.352 14.762 -4.053 17 HA CYS 4 HA CYS 4 14.846 15.137 -1.836 18 HB2 CYS 4 HB2 CYS 4 16.518 14.504 -0.359 19 HB3 CYS 4 HB1 CYS 4 17.181 13.878 -1.868 20 HA PRO 5 HA PRO 5 14.844 15.704 0.305 21 HB2 PRO 5 HB2 PRO 5 13.161 17.268 1.736 22 HB3 PRO 5 HB1 PRO 5 14.914 17.261 2.008 23 HG2 PRO 5 HG2 PRO 5 13.228 19.246 0.593 24 HG3 PRO 5 HG1 PRO 5 14.674 19.490 1.585 25 HD2 PRO 5 HD2 PRO 5 14.626 19.469 -1.213 26 HD3 PRO 5 HD1 PRO 5 16.078 19.253 -0.212 27 H PHE 6 H PHE 6 12.863 18.069 -1.448 28 HA PHE 6 HA PHE 6 10.381 16.784 -1.199 29 HB2 PHE 6 HB2 PHE 6 11.276 18.349 -3.620 30 HB3 PHE 6 HB1 PHE 6 9.636 18.159 -2.997 31 HD1 PHE 6 HD1 PHE 6 12.659 20.103 -2.856 32 HD2 PHE 6 HD2 PHE 6 9.115 19.073 -0.657 33 HE1 PHE 6 HE1 PHE 6 12.970 22.100 -1.418 34 HE2 PHE 6 HE2 PHE 6 9.427 21.070 0.781 35 HZ PHE 6 HZ PHE 6 11.354 22.583 0.401 36 H ASN 7 H ASN 7 12.378 16.823 -4.157 37 HA ASN 7 HA ASN 7 11.077 14.436 -5.136 38 HB2 ASN 7 HB2 ASN 7 12.257 14.792 -7.135 39 HB3 ASN 7 HB1 ASN 7 11.962 16.419 -6.528 40 HD21 ASN 7 HD21 ASN 7 14.347 14.695 -7.963 41 HD22 ASN 7 HD22 ASN 7 15.709 15.412 -7.251 42 H GLN 8 H GLN 8 12.177 13.787 -2.735 43 HA GLN 8 HA GLN 8 14.801 12.626 -3.068 44 HB2 GLN 8 HB2 GLN 8 13.737 13.471 -0.873 45 HB3 GLN 8 HB1 GLN 8 12.864 11.938 -0.868 46 HG2 GLN 8 HG2 GLN 8 15.128 10.805 -1.182 47 HG3 GLN 8 HG1 GLN 8 15.854 12.368 -0.814 48 HE21 GLN 8 HE21 GLN 8 12.978 12.211 0.905 49 HE22 GLN 8 HE22 GLN 8 13.585 11.624 2.378 50 H GLY 9 H GLY 9 11.476 11.605 -3.350 51 HA2 GLY 9 HA2 GLY 9 11.653 8.854 -3.185 52 HA3 GLY 9 HA1 GLY 9 10.563 9.702 -4.273 53 H LYS 10 H LYS 10 12.469 10.955 -5.926 54 HA LYS 10 HA LYS 10 12.939 8.996 -7.851 55 HB2 LYS 10 HB2 LYS 10 12.975 11.554 -8.110 56 HB3 LYS 10 HB1 LYS 10 14.646 11.468 -7.563 57 HG2 LYS 10 HG2 LYS 10 13.890 9.574 -9.719 58 HG3 LYS 10 HG1 LYS 10 13.942 11.280 -10.154 59 HD2 LYS 10 HD2 LYS 10 16.230 11.452 -9.246 60 HD3 LYS 10 HD1 LYS 10 16.190 9.741 -8.831 61 HE2 LYS 10 HE2 LYS 10 15.414 10.122 -11.594 62 HE3 LYS 10 HE1 LYS 10 16.985 10.860 -11.286 63 HZ1 LYS 10 HZ1 LYS 10 16.336 8.129 -11.510 64 HZ2 LYS 10 HZ2 LYS 10 16.955 8.425 -9.955 65 HZ3 LYS 10 HZ3 LYS 10 17.863 8.846 -11.329 66 H CYS 11 H CYS 11 14.765 9.918 -5.059 67 HA CYS 11 HA CYS 11 16.960 8.113 -5.874 68 HB2 CYS 11 HB2 CYS 11 18.126 10.004 -5.382 69 HB3 CYS 11 HB1 CYS 11 16.859 10.644 -4.337 70 H HIS 12 H HIS 12 14.395 8.635 -3.617 71 HA HIS 12 HA HIS 12 15.463 6.611 -1.778 72 HB2 HIS 12 HB2 HIS 12 14.545 8.692 -0.815 73 HB3 HIS 12 HB1 HIS 12 12.982 8.327 -1.542 74 HD1 HIS 12 HD1 HIS 12 11.515 6.588 -0.395 75 HD2 HIS 12 HD2 HIS 12 15.316 6.859 1.298 76 HE1 HIS 12 HE1 HIS 12 11.452 5.213 1.732 77 HE2 HIS 12 HE2 HIS 12 13.761 5.369 2.776 78 H ARG 13 H ARG 13 13.349 6.861 -4.434 79 HA ARG 13 HA ARG 13 11.933 4.395 -3.634 80 HB2 ARG 13 HB2 ARG 13 11.265 6.372 -5.832 81 HB3 ARG 13 HB1 ARG 13 10.332 4.932 -5.427 82 HG2 ARG 13 HG2 ARG 13 10.891 6.656 -3.112 83 HG3 ARG 13 HG1 ARG 13 9.902 7.430 -4.351 84 HD2 ARG 13 HD2 ARG 13 8.361 5.506 -4.328 85 HD3 ARG 13 HD1 ARG 13 9.349 4.727 -3.096 86 HE ARG 13 HE ARG 13 8.585 6.331 -1.519 87 HH11 ARG 13 HH11 ARG 13 6.903 7.699 -0.848 88 HH12 ARG 13 HH12 ARG 13 5.802 8.349 -2.017 89 HH21 ARG 13 HH21 ARG 13 7.323 6.786 -4.713 90 HH22 ARG 13 HH22 ARG 13 6.041 7.832 -4.204 91 H HIS 14 H HIS 14 14.204 5.773 -5.843 92 HA HIS 14 HA HIS 14 14.072 3.746 -7.853 93 HB2 HIS 14 HB2 HIS 14 15.071 5.708 -8.618 94 HB3 HIS 14 HB1 HIS 14 16.015 5.920 -7.140 95 HD1 HIS 14 HD1 HIS 14 15.764 3.133 -9.755 96 HD2 HIS 14 HD2 HIS 14 18.643 5.319 -7.678 97 HE1 HIS 14 HE1 HIS 14 18.016 2.256 -10.514 98 HE2 HIS 14 HE2 HIS 14 19.781 3.579 -9.257 99 H CYS 15 H CYS 15 16.140 4.299 -5.013 100 HA CYS 15 HA CYS 15 17.607 1.834 -5.445 101 HB2 CYS 15 HB2 CYS 15 18.208 4.161 -4.142 102 HB3 CYS 15 HB1 CYS 15 17.760 3.114 -2.791 103 H ARG 16 H ARG 16 14.602 2.618 -4.240 104 HA ARG 16 HA ARG 16 14.484 0.713 -2.075 105 HB2 ARG 16 HB2 ARG 16 13.079 2.819 -2.264 106 HB3 ARG 16 HB1 ARG 16 12.154 1.984 -3.511 107 HG2 ARG 16 HG2 ARG 16 12.244 0.090 -1.525 108 HG3 ARG 16 HG1 ARG 16 12.151 1.585 -0.594 109 HD2 ARG 16 HD2 ARG 16 9.903 0.651 -1.173 110 HD3 ARG 16 HD1 ARG 16 10.163 2.277 -1.796 111 HE ARG 16 HE ARG 16 10.708 -0.008 -3.568 112 HH11 ARG 16 HH11 ARG 16 9.616 0.118 -5.553 113 HH12 ARG 16 HH12 ARG 16 8.420 1.345 -5.803 114 HH21 ARG 16 HH21 ARG 16 8.785 2.719 -2.642 115 HH22 ARG 16 HH22 ARG 16 7.952 2.817 -4.157 116 H SER 17 H SER 17 13.750 0.751 -5.502 117 HA SER 17 HA SER 17 12.258 -1.709 -5.474 118 HB2 SER 17 HB2 SER 17 11.705 -0.346 -7.285 119 HB3 SER 17 HB1 SER 17 13.384 0.075 -7.612 120 HG SER 17 HG SER 17 11.931 -2.228 -8.262 121 H ILE 18 H ILE 18 15.618 -0.823 -5.742 122 HA ILE 18 HA ILE 18 16.351 -3.529 -6.612 123 HB ILE 18 HB ILE 18 18.714 -2.437 -6.493 124 HG12 ILE 18 HG12 ILE 18 16.944 0.027 -6.611 125 HG13 ILE 18 HG11 ILE 18 17.889 -0.450 -5.200 126 HG21 ILE 18 HG21 ILE 18 16.770 -1.312 -8.519 127 HG22 ILE 18 HG22 ILE 18 17.281 -3.000 -8.537 128 HG23 ILE 18 HG23 ILE 18 18.469 -1.715 -8.754 129 HD11 ILE 18 HD11 ILE 18 19.809 -0.561 -7.113 130 HD12 ILE 18 HD12 ILE 18 19.482 0.882 -6.153 131 HD13 ILE 18 HD13 ILE 18 18.793 0.722 -7.768 132 H ARG 19 H ARG 19 15.221 -3.682 -4.184 133 HA ARG 19 HA ARG 19 15.620 -4.686 -2.148 134 HB2 ARG 19 HB2 ARG 19 17.932 -5.247 -3.595 135 HB3 ARG 19 HB1 ARG 19 18.526 -4.516 -2.103 136 HG2 ARG 19 HG2 ARG 19 16.451 -6.719 -2.132 137 HG3 ARG 19 HG1 ARG 19 18.183 -7.037 -2.017 138 HD2 ARG 19 HD2 ARG 19 18.361 -6.064 0.088 139 HD3 ARG 19 HD1 ARG 19 16.937 -5.055 -0.144 140 HE ARG 19 HE ARG 19 15.729 -7.369 -0.064 141 HH11 ARG 19 HH11 ARG 19 15.309 -8.739 1.695 142 HH12 ARG 19 HH12 ARG 19 16.391 -8.763 3.047 143 HH21 ARG 19 HH21 ARG 19 18.533 -6.386 1.718 144 HH22 ARG 19 HH22 ARG 19 18.214 -7.432 3.059 145 H ARG 20 H ARG 20 18.184 -2.274 -2.754 146 HA ARG 20 HA ARG 20 18.690 -1.283 -0.301 147 HB2 ARG 20 HB2 ARG 20 18.754 -0.218 -2.981 148 HB3 ARG 20 HB1 ARG 20 18.267 1.041 -1.846 149 HG2 ARG 20 HG2 ARG 20 20.649 1.118 -1.891 150 HG3 ARG 20 HG1 ARG 20 20.236 0.286 -0.392 151 HD2 ARG 20 HD2 ARG 20 21.324 -1.565 -1.057 152 HD3 ARG 20 HD1 ARG 20 20.404 -1.617 -2.558 153 HE ARG 20 HE ARG 20 22.157 0.228 -3.223 154 HH11 ARG 20 HH11 ARG 20 24.333 -0.031 -3.821 155 HH12 ARG 20 HH12 ARG 20 25.249 -1.358 -3.187 156 HH21 ARG 20 HH21 ARG 20 22.618 -2.625 -1.318 157 HH22 ARG 20 HH22 ARG 20 24.277 -2.826 -1.770 158 H ARG 21 H ARG 21 17.889 0.796 0.728 159 HA ARG 21 HA ARG 21 15.217 1.662 0.362 160 HB2 ARG 21 HB2 ARG 21 15.561 -0.747 1.911 161 HB3 ARG 21 HB1 ARG 21 14.932 0.544 2.933 162 HG2 ARG 21 HG2 ARG 21 13.063 0.908 1.487 163 HG3 ARG 21 HG1 ARG 21 13.766 -0.091 0.216 164 HD2 ARG 21 HD2 ARG 21 13.235 -2.069 1.285 165 HD3 ARG 21 HD1 ARG 21 13.314 -1.345 2.889 166 HE ARG 21 HE ARG 21 11.156 -0.120 1.873 167 HH11 ARG 21 HH11 ARG 21 9.047 -0.956 1.829 168 HH12 ARG 21 HH12 ARG 21 8.801 -2.670 1.796 169 HH21 ARG 21 HH21 ARG 21 12.186 -3.422 1.823 170 HH22 ARG 21 HH22 ARG 21 10.578 -4.067 1.792 171 H GLY 22 H GLY 22 16.654 3.537 0.482 172 HA2 GLY 22 HA2 GLY 22 16.370 5.140 2.635 173 HA3 GLY 22 HA1 GLY 22 17.817 4.226 3.047 174 H GLY 23 H GLY 23 18.294 6.800 2.877 175 HA2 GLY 23 HA2 GLY 23 20.359 7.287 1.271 176 HA3 GLY 23 HA1 GLY 23 19.028 7.545 0.150 177 H TYR 24 H TYR 24 20.370 9.688 0.299 178 HA TYR 24 HA TYR 24 18.719 11.677 1.362 179 HB2 TYR 24 HB2 TYR 24 20.064 10.540 3.433 180 HB3 TYR 24 HB1 TYR 24 21.204 11.800 2.962 181 HD1 TYR 24 HD1 TYR 24 19.770 14.085 2.200 182 HD2 TYR 24 HD2 TYR 24 18.668 11.180 5.166 183 HE1 TYR 24 HE1 TYR 24 18.364 15.782 3.340 184 HE2 TYR 24 HE2 TYR 24 17.262 12.876 6.304 185 HH TYR 24 HH TYR 24 17.211 15.417 6.454 186 H CYS 25 H CYS 25 19.798 11.365 -1.047 187 HA CYS 25 HA CYS 25 21.186 12.241 -2.664 188 HB2 CYS 25 HB2 CYS 25 21.625 14.840 -1.904 189 HB3 CYS 25 HB1 CYS 25 20.182 14.264 -2.736 190 H ASP 26 H ASP 26 23.279 13.676 -2.965 191 HA ASP 26 HA ASP 26 25.168 13.581 -0.791 192 HB2 ASP 26 HB2 ASP 26 24.911 11.180 -1.898 193 HB3 ASP 26 HB1 ASP 26 25.997 11.879 -3.097 194 H GLY 27 H GLY 27 26.006 15.547 -1.102 195 HA2 GLY 27 HA2 GLY 27 27.713 16.829 -2.216 196 HA3 GLY 27 HA1 GLY 27 27.165 16.152 -3.746 197 H PHE 28 H PHE 28 27.459 18.976 -2.737 198 HA PHE 28 HA PHE 28 24.878 20.119 -2.423 199 HB2 PHE 28 HB2 PHE 28 27.110 21.192 -1.851 200 HB3 PHE 28 HB1 PHE 28 27.308 21.497 -3.577 201 HD1 PHE 28 HD1 PHE 28 25.330 22.697 -4.782 202 HD2 PHE 28 HD2 PHE 28 25.920 22.719 -0.528 203 HE1 PHE 28 HE1 PHE 28 23.899 24.713 -4.594 204 HE2 PHE 28 HE2 PHE 28 24.490 24.736 -0.339 205 HZ PHE 28 HZ PHE 28 23.479 25.733 -2.373 206 H LEU 29 H LEU 29 26.778 19.169 -5.188 207 HA LEU 29 HA LEU 29 24.789 20.369 -7.010 208 HB2 LEU 29 HB2 LEU 29 27.672 19.614 -7.291 209 HB3 LEU 29 HB1 LEU 29 26.640 19.598 -8.722 210 HG LEU 29 HG LEU 29 26.920 21.956 -6.838 211 HD11 LEU 29 HD11 LEU 29 28.195 21.332 -9.513 212 HD12 LEU 29 HD12 LEU 29 29.010 21.694 -7.991 213 HD13 LEU 29 HD13 LEU 29 28.124 22.961 -8.839 214 HD21 LEU 29 HD21 LEU 29 25.009 22.594 -7.868 215 HD22 LEU 29 HD22 LEU 29 25.114 21.270 -9.028 216 HD23 LEU 29 HD23 LEU 29 25.975 22.778 -9.333 217 H LYS 30 H LYS 30 24.497 18.981 -9.068 218 HA LYS 30 HA LYS 30 23.239 16.562 -8.331 219 HB2 LYS 30 HB2 LYS 30 23.071 16.186 -10.802 220 HB3 LYS 30 HB1 LYS 30 22.489 17.768 -10.286 221 HG2 LYS 30 HG2 LYS 30 24.977 18.506 -10.744 222 HG3 LYS 30 HG1 LYS 30 25.003 17.070 -11.769 223 HD2 LYS 30 HD2 LYS 30 22.650 18.133 -12.559 224 HD3 LYS 30 HD1 LYS 30 23.501 19.611 -12.111 225 HE2 LYS 30 HE2 LYS 30 23.970 19.182 -14.439 226 HE3 LYS 30 HE1 LYS 30 25.438 18.829 -13.526 227 HZ1 LYS 30 HZ1 LYS 30 23.935 16.502 -13.556 228 HZ2 LYS 30 HZ2 LYS 30 25.388 16.803 -14.381 229 HZ3 LYS 30 HZ3 LYS 30 23.899 17.100 -15.143 230 H GLN 31 H GLN 31 24.972 15.484 -7.164 231 HA GLN 31 HA GLN 31 27.185 14.441 -8.769 232 HB2 GLN 31 HB2 GLN 31 26.754 14.987 -5.986 233 HB3 GLN 31 HB1 GLN 31 27.149 13.279 -6.175 234 HG2 GLN 31 HG2 GLN 31 28.753 15.414 -7.577 235 HG3 GLN 31 HG1 GLN 31 29.114 14.942 -5.919 236 HE21 GLN 31 HE21 GLN 31 31.230 14.141 -6.888 237 HE22 GLN 31 HE22 GLN 31 31.253 12.601 -7.604 238 H ARG 32 H ARG 32 25.364 12.727 -6.273 239 HA ARG 32 HA ARG 32 23.938 10.987 -7.971 240 HB2 ARG 32 HB2 ARG 32 26.422 10.345 -8.398 241 HB3 ARG 32 HB1 ARG 32 26.330 9.591 -6.807 242 HG2 ARG 32 HG2 ARG 32 25.698 7.840 -8.237 243 HG3 ARG 32 HG1 ARG 32 24.144 8.491 -7.716 244 HD2 ARG 32 HD2 ARG 32 24.336 8.090 -10.207 245 HD3 ARG 32 HD1 ARG 32 23.886 9.732 -9.760 246 HE ARG 32 HE ARG 32 25.912 10.466 -10.632 247 HH11 ARG 32 HH11 ARG 32 27.898 10.151 -11.689 248 HH12 ARG 32 HH12 ARG 32 28.558 8.555 -11.820 249 HH21 ARG 32 HH21 ARG 32 25.930 7.042 -10.140 250 HH22 ARG 32 HH22 ARG 32 27.445 6.795 -10.942 251 H CYS 33 H CYS 33 22.395 10.078 -6.789 252 HA CYS 33 HA CYS 33 22.295 10.473 -3.966 253 HB2 CYS 33 HB2 CYS 33 20.182 10.479 -4.858 254 HB3 CYS 33 HB1 CYS 33 20.553 9.221 -6.034 255 H VAL 34 H VAL 34 23.049 9.219 -2.389 256 HA VAL 34 HA VAL 34 23.888 6.469 -3.076 257 HB VAL 34 HB VAL 34 24.896 8.283 -0.872 258 HG11 VAL 34 HG11 VAL 34 25.826 5.566 -1.843 259 HG12 VAL 34 HG12 VAL 34 25.021 5.889 -0.309 260 HG13 VAL 34 HG13 VAL 34 26.631 6.539 -0.614 261 HG21 VAL 34 HG21 VAL 34 26.003 7.509 -3.584 262 HG22 VAL 34 HG22 VAL 34 27.000 8.202 -2.305 263 HG23 VAL 34 HG23 VAL 34 25.665 9.133 -2.983 264 H CYS 35 H CYS 35 21.939 5.413 -2.617 265 HA CYS 35 HA CYS 35 20.297 5.843 -0.418 266 HB2 CYS 35 HB2 CYS 35 20.121 3.118 -0.849 267 HB3 CYS 35 HB1 CYS 35 19.193 4.361 -1.690 268 H TYR 36 H TYR 36 20.391 5.369 1.672 269 HA TYR 36 HA TYR 36 22.371 5.103 3.308 270 HB2 TYR 36 HB2 TYR 36 20.281 4.859 4.324 271 HB3 TYR 36 HB1 TYR 36 19.857 3.458 3.335 272 HD1 TYR 36 HD1 TYR 36 19.320 1.998 5.195 273 HD2 TYR 36 HD2 TYR 36 23.175 3.875 4.917 274 HE1 TYR 36 HE1 TYR 36 20.185 0.484 6.957 275 HE2 TYR 36 HE2 TYR 36 24.040 2.358 6.675 276 HH TYR 36 HH TYR 36 23.276 -0.124 7.499 277 H ARG 37 H ARG 37 21.150 2.080 1.816 278 HA ARG 37 HA ARG 37 23.716 0.802 2.454 279 HB2 ARG 37 HB2 ARG 37 21.502 -0.682 1.119 280 HB3 ARG 37 HB1 ARG 37 22.633 -1.222 2.359 281 HG2 ARG 37 HG2 ARG 37 20.853 -0.969 3.754 282 HG3 ARG 37 HG1 ARG 37 21.294 0.737 3.706 283 HD2 ARG 37 HD2 ARG 37 19.738 1.101 1.840 284 HD3 ARG 37 HD1 ARG 37 19.316 -0.609 1.846 285 HE ARG 37 HE ARG 37 18.420 1.406 3.739 286 HH11 ARG 37 HH11 ARG 37 16.878 0.685 5.243 287 HH12 ARG 37 HH12 ARG 37 16.575 -1.011 5.420 288 HH21 ARG 37 HH21 ARG 37 18.893 -1.944 3.014 289 HH22 ARG 37 HH22 ARG 37 17.716 -2.500 4.157 290 H LYS 38 H LYS 38 25.214 1.312 0.946 291 HA LYS 38 HA LYS 38 24.455 1.029 -1.897 292 HB2 LYS 38 HB2 LYS 38 25.463 3.242 -0.884 293 HB3 LYS 38 HB1 LYS 38 26.989 2.367 -1.018 294 HG2 LYS 38 HG2 LYS 38 25.075 2.530 -3.348 295 HG3 LYS 38 HG1 LYS 38 26.254 3.802 -3.043 296 HD2 LYS 38 HD2 LYS 38 28.060 2.075 -3.057 297 HD3 LYS 38 HD1 LYS 38 26.854 0.870 -3.510 298 HE2 LYS 38 HE2 LYS 38 27.067 1.471 -5.666 299 HE3 LYS 38 HE1 LYS 38 26.544 3.104 -5.258 300 HZ1 LYS 38 HZ1 LYS 38 29.230 2.642 -4.449 301 HZ2 LYS 38 HZ2 LYS 38 28.604 3.854 -5.463 302 HZ3 LYS 38 HZ3 LYS 38 29.040 2.344 -6.108 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 22.016 16.387 -3.649 2 HA2 GLY 1 HA2 GLY 1 23.606 16.441 -5.631 3 HA3 GLY 1 HA1 GLY 1 23.916 14.755 -5.228 4 H PHE 2 H PHE 2 23.162 13.974 -7.197 5 HA PHE 2 HA PHE 2 21.512 13.908 -8.970 6 HB2 PHE 2 HB2 PHE 2 21.753 11.892 -7.085 7 HB3 PHE 2 HB1 PHE 2 20.011 12.147 -7.194 8 HD1 PHE 2 HD1 PHE 2 19.242 12.642 -9.785 9 HD2 PHE 2 HD2 PHE 2 22.612 10.294 -8.530 10 HE1 PHE 2 HE1 PHE 2 19.205 11.432 -11.950 11 HE2 PHE 2 HE2 PHE 2 22.577 9.084 -10.695 12 HZ PHE 2 HZ PHE 2 20.872 9.653 -12.405 13 H GLY 3 H GLY 3 19.563 13.595 -6.015 14 HA2 GLY 3 HA2 GLY 3 17.837 15.784 -6.987 15 HA3 GLY 3 HA1 GLY 3 17.133 14.235 -6.545 16 H CYS 4 H CYS 4 15.950 14.839 -4.813 17 HA CYS 4 HA CYS 4 15.426 15.533 -2.695 18 HB2 CYS 4 HB2 CYS 4 18.041 15.198 -1.502 19 HB3 CYS 4 HB1 CYS 4 16.559 14.296 -1.209 20 HA PRO 5 HA PRO 5 15.458 16.122 -0.598 21 HB2 PRO 5 HB2 PRO 5 14.194 18.141 0.702 22 HB3 PRO 5 HB1 PRO 5 15.842 17.631 1.115 23 HG2 PRO 5 HG2 PRO 5 14.923 19.991 -0.429 24 HG3 PRO 5 HG1 PRO 5 16.296 19.825 0.675 25 HD2 PRO 5 HD2 PRO 5 16.471 19.767 -2.111 26 HD3 PRO 5 HD1 PRO 5 17.705 19.140 -0.999 27 H PHE 6 H PHE 6 14.536 18.816 -2.635 28 HA PHE 6 HA PHE 6 11.798 18.753 -2.667 29 HB2 PHE 6 HB2 PHE 6 13.458 18.921 -5.186 30 HB3 PHE 6 HB1 PHE 6 11.899 19.680 -4.865 31 HD1 PHE 6 HD1 PHE 6 15.511 19.899 -4.401 32 HD2 PHE 6 HD2 PHE 6 11.725 21.543 -3.210 33 HE1 PHE 6 HE1 PHE 6 16.666 21.892 -3.481 34 HE2 PHE 6 HE2 PHE 6 12.880 23.537 -2.292 35 HZ PHE 6 HZ PHE 6 15.351 23.712 -2.427 36 H ASN 7 H ASN 7 13.856 16.859 -4.895 37 HA ASN 7 HA ASN 7 11.607 14.980 -5.249 38 HB2 ASN 7 HB2 ASN 7 13.277 14.240 -7.191 39 HB3 ASN 7 HB1 ASN 7 12.148 15.578 -7.396 40 HD21 ASN 7 HD21 ASN 7 15.526 14.732 -7.210 41 HD22 ASN 7 HD22 ASN 7 16.133 16.309 -7.380 42 H GLN 8 H GLN 8 12.765 14.578 -2.898 43 HA GLN 8 HA GLN 8 15.073 12.978 -2.783 44 HB2 GLN 8 HB2 GLN 8 14.190 13.926 -0.767 45 HB3 GLN 8 HB1 GLN 8 12.637 13.127 -1.000 46 HG2 GLN 8 HG2 GLN 8 13.437 11.068 -0.338 47 HG3 GLN 8 HG1 GLN 8 15.077 11.410 -0.889 48 HE21 GLN 8 HE21 GLN 8 13.109 13.503 1.247 49 HE22 GLN 8 HE22 GLN 8 14.140 13.366 2.588 50 H GLY 9 H GLY 9 11.703 12.176 -3.398 51 HA2 GLY 9 HA2 GLY 9 11.819 9.398 -3.118 52 HA3 GLY 9 HA1 GLY 9 10.713 10.254 -4.182 53 H LYS 10 H LYS 10 12.607 11.441 -5.926 54 HA LYS 10 HA LYS 10 12.913 9.498 -7.863 55 HB2 LYS 10 HB2 LYS 10 13.245 12.052 -8.055 56 HB3 LYS 10 HB1 LYS 10 14.908 11.742 -7.565 57 HG2 LYS 10 HG2 LYS 10 13.750 10.094 -9.782 58 HG3 LYS 10 HG1 LYS 10 14.235 11.752 -10.125 59 HD2 LYS 10 HD2 LYS 10 16.438 11.255 -9.997 60 HD3 LYS 10 HD1 LYS 10 16.218 10.282 -8.542 61 HE2 LYS 10 HE2 LYS 10 16.980 9.085 -10.727 62 HE3 LYS 10 HE1 LYS 10 15.704 8.342 -9.765 63 HZ1 LYS 10 HZ1 LYS 10 14.558 8.363 -11.663 64 HZ2 LYS 10 HZ2 LYS 10 15.585 9.499 -12.398 65 HZ3 LYS 10 HZ3 LYS 10 14.335 10.019 -11.371 66 H CYS 11 H CYS 11 15.011 10.281 -5.174 67 HA CYS 11 HA CYS 11 16.885 8.175 -6.043 68 HB2 CYS 11 HB2 CYS 11 17.197 10.728 -4.612 69 HB3 CYS 11 HB1 CYS 11 18.096 9.380 -3.913 70 H HIS 12 H HIS 12 14.540 9.052 -3.644 71 HA HIS 12 HA HIS 12 15.426 6.909 -1.847 72 HB2 HIS 12 HB2 HIS 12 14.789 8.696 -0.528 73 HB3 HIS 12 HB1 HIS 12 13.517 9.201 -1.639 74 HD1 HIS 12 HD1 HIS 12 14.128 5.891 0.186 75 HD2 HIS 12 HD2 HIS 12 11.137 8.747 -0.342 76 HE1 HIS 12 HE1 HIS 12 12.094 5.042 1.437 77 HE2 HIS 12 HE2 HIS 12 10.260 6.770 1.117 78 H ARG 13 H ARG 13 13.435 7.280 -4.524 79 HA ARG 13 HA ARG 13 11.662 5.078 -3.684 80 HB2 ARG 13 HB2 ARG 13 10.062 5.876 -5.137 81 HB3 ARG 13 HB1 ARG 13 10.877 7.390 -4.736 82 HG2 ARG 13 HG2 ARG 13 12.411 6.875 -6.753 83 HG3 ARG 13 HG1 ARG 13 11.181 5.703 -7.216 84 HD2 ARG 13 HD2 ARG 13 10.787 8.677 -6.813 85 HD3 ARG 13 HD1 ARG 13 10.700 7.799 -8.337 86 HE ARG 13 HE ARG 13 8.822 6.599 -6.715 87 HH11 ARG 13 HH11 ARG 13 6.653 7.252 -6.700 88 HH12 ARG 13 HH12 ARG 13 6.231 8.856 -7.197 89 HH21 ARG 13 HH21 ARG 13 9.505 9.791 -7.867 90 HH22 ARG 13 HH22 ARG 13 7.849 10.297 -7.859 91 H HIS 14 H HIS 14 14.049 6.084 -6.058 92 HA HIS 14 HA HIS 14 13.762 3.881 -7.825 93 HB2 HIS 14 HB2 HIS 14 14.947 6.028 -8.359 94 HB3 HIS 14 HB1 HIS 14 16.267 5.493 -7.312 95 HD1 HIS 14 HD1 HIS 14 14.738 2.666 -9.009 96 HD2 HIS 14 HD2 HIS 14 17.702 5.444 -9.944 97 HE1 HIS 14 HE1 HIS 14 16.040 1.698 -10.954 98 HE2 HIS 14 HE2 HIS 14 17.849 3.382 -11.538 99 H CYS 15 H CYS 15 15.898 4.456 -5.030 100 HA CYS 15 HA CYS 15 17.142 1.865 -5.297 101 HB2 CYS 15 HB2 CYS 15 17.862 4.194 -4.041 102 HB3 CYS 15 HB1 CYS 15 17.344 3.189 -2.685 103 H ARG 16 H ARG 16 14.725 3.344 -3.148 104 HA ARG 16 HA ARG 16 14.245 1.370 -1.331 105 HB2 ARG 16 HB2 ARG 16 12.889 3.308 -1.183 106 HB3 ARG 16 HB1 ARG 16 12.300 3.120 -2.836 107 HG2 ARG 16 HG2 ARG 16 11.029 1.157 -2.237 108 HG3 ARG 16 HG1 ARG 16 11.753 1.118 -0.629 109 HD2 ARG 16 HD2 ARG 16 10.575 3.029 0.080 110 HD3 ARG 16 HD1 ARG 16 10.226 3.538 -1.569 111 HE ARG 16 HE ARG 16 9.043 0.998 -0.785 112 HH11 ARG 16 HH11 ARG 16 6.775 0.969 -0.793 113 HH12 ARG 16 HH12 ARG 16 5.894 2.456 -0.902 114 HH21 ARG 16 HH21 ARG 16 8.737 4.437 -1.030 115 HH22 ARG 16 HH22 ARG 16 7.005 4.420 -1.035 116 H SER 17 H SER 17 13.662 1.290 -4.755 117 HA SER 17 HA SER 17 11.921 -0.986 -4.764 118 HB2 SER 17 HB2 SER 17 11.918 -0.753 -7.048 119 HB3 SER 17 HB1 SER 17 12.489 0.857 -6.618 120 HG SER 17 HG SER 17 13.702 -0.784 -8.160 121 H ILE 18 H ILE 18 15.403 -0.497 -5.281 122 HA ILE 18 HA ILE 18 15.995 -3.238 -5.785 123 HB ILE 18 HB ILE 18 17.937 -1.240 -4.632 124 HG12 ILE 18 HG12 ILE 18 16.844 -1.448 -7.453 125 HG13 ILE 18 HG11 ILE 18 16.829 -0.033 -6.399 126 HG21 ILE 18 HG21 ILE 18 18.572 -3.096 -6.866 127 HG22 ILE 18 HG22 ILE 18 18.274 -3.839 -5.296 128 HG23 ILE 18 HG23 ILE 18 19.550 -2.636 -5.472 129 HD11 ILE 18 HD11 ILE 18 18.662 0.425 -7.773 130 HD12 ILE 18 HD12 ILE 18 19.138 -1.271 -7.871 131 HD13 ILE 18 HD13 ILE 18 19.436 -0.355 -6.393 132 H ARG 19 H ARG 19 14.310 -3.009 -3.522 133 HA ARG 19 HA ARG 19 14.062 -3.951 -1.447 134 HB2 ARG 19 HB2 ARG 19 16.208 -5.364 -2.650 135 HB3 ARG 19 HB1 ARG 19 16.671 -5.040 -0.980 136 HG2 ARG 19 HG2 ARG 19 14.307 -5.855 -0.352 137 HG3 ARG 19 HG1 ARG 19 14.227 -6.499 -1.991 138 HD2 ARG 19 HD2 ARG 19 16.702 -7.158 -0.512 139 HD3 ARG 19 HD1 ARG 19 15.232 -7.876 0.138 140 HE ARG 19 HE ARG 19 15.031 -9.155 -1.819 141 HH11 ARG 19 HH11 ARG 19 15.944 -10.046 -3.697 142 HH12 ARG 19 HH12 ARG 19 17.339 -9.308 -4.409 143 HH21 ARG 19 HH21 ARG 19 17.541 -6.785 -2.038 144 HH22 ARG 19 HH22 ARG 19 18.244 -7.460 -3.469 145 H ARG 20 H ARG 20 16.525 -1.739 -2.199 146 HA ARG 20 HA ARG 20 17.832 -1.304 0.214 147 HB2 ARG 20 HB2 ARG 20 17.339 0.198 -2.228 148 HB3 ARG 20 HB1 ARG 20 17.391 1.252 -0.817 149 HG2 ARG 20 HG2 ARG 20 19.650 1.062 -1.584 150 HG3 ARG 20 HG1 ARG 20 19.534 0.035 -0.153 151 HD2 ARG 20 HD2 ARG 20 18.912 -1.837 -1.882 152 HD3 ARG 20 HD1 ARG 20 19.686 -0.765 -3.045 153 HE ARG 20 HE ARG 20 21.498 -0.947 -0.996 154 HH11 ARG 20 HH11 ARG 20 23.130 -2.527 -0.942 155 HH12 ARG 20 HH12 ARG 20 22.910 -4.020 -1.792 156 HH21 ARG 20 HH21 ARG 20 19.765 -3.182 -2.988 157 HH22 ARG 20 HH22 ARG 20 21.006 -4.391 -2.951 158 H ARG 21 H ARG 21 17.419 0.033 2.013 159 HA ARG 21 HA ARG 21 14.664 1.038 2.286 160 HB2 ARG 21 HB2 ARG 21 16.104 -0.760 4.245 161 HB3 ARG 21 HB1 ARG 21 14.606 0.100 4.599 162 HG2 ARG 21 HG2 ARG 21 13.383 -1.133 2.989 163 HG3 ARG 21 HG1 ARG 21 14.850 -1.708 2.196 164 HD2 ARG 21 HD2 ARG 21 14.674 -2.414 5.046 165 HD3 ARG 21 HD1 ARG 21 13.414 -3.137 4.052 166 HE ARG 21 HE ARG 21 16.136 -3.382 3.028 167 HH11 ARG 21 HH11 ARG 21 16.858 -5.525 2.804 168 HH12 ARG 21 HH12 ARG 21 15.950 -6.817 3.516 169 HH21 ARG 21 HH21 ARG 21 13.506 -4.733 4.823 170 HH22 ARG 21 HH22 ARG 21 14.050 -6.369 4.656 171 H GLY 22 H GLY 22 16.401 2.876 1.745 172 HA2 GLY 22 HA2 GLY 22 16.378 4.800 3.605 173 HA3 GLY 22 HA1 GLY 22 17.768 3.854 4.128 174 H GLY 23 H GLY 23 18.156 6.465 3.418 175 HA2 GLY 23 HA2 GLY 23 20.263 6.425 1.654 176 HA3 GLY 23 HA1 GLY 23 18.854 6.785 0.659 177 H TYR 24 H TYR 24 20.615 8.714 0.576 178 HA TYR 24 HA TYR 24 19.291 10.970 1.616 179 HB2 TYR 24 HB2 TYR 24 20.697 9.758 3.618 180 HB3 TYR 24 HB1 TYR 24 21.888 10.902 3.000 181 HD1 TYR 24 HD1 TYR 24 18.673 10.513 4.706 182 HD2 TYR 24 HD2 TYR 24 21.408 13.333 2.969 183 HE1 TYR 24 HE1 TYR 24 17.493 12.366 5.858 184 HE2 TYR 24 HE2 TYR 24 20.228 15.186 4.120 185 HH TYR 24 HH TYR 24 18.403 15.752 5.296 186 H CYS 25 H CYS 25 19.608 12.110 -0.182 187 HA CYS 25 HA CYS 25 21.472 12.108 -2.097 188 HB2 CYS 25 HB2 CYS 25 19.793 14.170 -0.904 189 HB3 CYS 25 HB1 CYS 25 21.240 14.830 -1.656 190 H ASP 26 H ASP 26 23.519 13.019 -2.510 191 HA ASP 26 HA ASP 26 25.026 13.830 -0.096 192 HB2 ASP 26 HB2 ASP 26 25.670 11.568 -0.812 193 HB3 ASP 26 HB1 ASP 26 26.035 12.182 -2.424 194 H GLY 27 H GLY 27 24.114 15.943 -1.058 195 HA2 GLY 27 HA2 GLY 27 26.062 17.628 -1.875 196 HA3 GLY 27 HA1 GLY 27 25.485 16.961 -3.400 197 H PHE 28 H PHE 28 24.955 19.326 -3.714 198 HA PHE 28 HA PHE 28 22.330 19.965 -2.505 199 HB2 PHE 28 HB2 PHE 28 24.356 21.516 -2.090 200 HB3 PHE 28 HB1 PHE 28 24.153 21.996 -3.774 201 HD1 PHE 28 HD1 PHE 28 22.216 23.264 -4.505 202 HD2 PHE 28 HD2 PHE 28 22.595 21.971 -0.426 203 HE1 PHE 28 HE1 PHE 28 20.365 24.780 -3.852 204 HE2 PHE 28 HE2 PHE 28 20.744 23.487 0.225 205 HZ PHE 28 HZ PHE 28 19.628 24.892 -1.487 206 H LEU 29 H LEU 29 24.202 19.705 -5.453 207 HA LEU 29 HA LEU 29 21.862 20.482 -7.059 208 HB2 LEU 29 HB2 LEU 29 24.690 19.916 -7.977 209 HB3 LEU 29 HB1 LEU 29 23.394 20.648 -8.923 210 HG LEU 29 HG LEU 29 23.368 22.337 -6.839 211 HD11 LEU 29 HD11 LEU 29 25.460 22.654 -5.824 212 HD12 LEU 29 HD12 LEU 29 26.312 21.753 -7.080 213 HD13 LEU 29 HD13 LEU 29 25.328 20.897 -5.891 214 HD21 LEU 29 HD21 LEU 29 25.240 22.359 -9.221 215 HD22 LEU 29 HD22 LEU 29 24.966 23.764 -8.191 216 HD23 LEU 29 HD23 LEU 29 23.633 23.077 -9.119 217 H LYS 30 H LYS 30 23.598 18.747 -9.102 218 HA LYS 30 HA LYS 30 22.148 16.240 -8.504 219 HB2 LYS 30 HB2 LYS 30 22.150 15.840 -10.937 220 HB3 LYS 30 HB1 LYS 30 21.333 17.349 -10.534 221 HG2 LYS 30 HG2 LYS 30 24.105 17.937 -10.870 222 HG3 LYS 30 HG1 LYS 30 23.595 16.963 -12.250 223 HD2 LYS 30 HD2 LYS 30 21.997 19.339 -11.279 224 HD3 LYS 30 HD1 LYS 30 23.278 19.492 -12.481 225 HE2 LYS 30 HE2 LYS 30 21.129 17.425 -12.854 226 HE3 LYS 30 HE1 LYS 30 20.811 19.106 -13.284 227 HZ1 LYS 30 HZ1 LYS 30 23.291 18.555 -14.319 228 HZ2 LYS 30 HZ2 LYS 30 21.837 18.679 -15.188 229 HZ3 LYS 30 HZ3 LYS 30 22.381 17.163 -14.649 230 H GLN 31 H GLN 31 24.449 16.384 -7.203 231 HA GLN 31 HA GLN 31 26.748 15.577 -8.684 232 HB2 GLN 31 HB2 GLN 31 26.000 15.716 -5.795 233 HB3 GLN 31 HB1 GLN 31 27.413 14.769 -6.258 234 HG2 GLN 31 HG2 GLN 31 27.222 17.423 -7.542 235 HG3 GLN 31 HG1 GLN 31 27.471 17.458 -5.796 236 HE21 GLN 31 HE21 GLN 31 29.670 17.623 -5.361 237 HE22 GLN 31 HE22 GLN 31 30.895 16.811 -6.211 238 H ARG 32 H ARG 32 25.155 13.651 -6.142 239 HA ARG 32 HA ARG 32 24.403 11.464 -7.704 240 HB2 ARG 32 HB2 ARG 32 26.306 9.897 -7.054 241 HB3 ARG 32 HB1 ARG 32 26.657 11.064 -8.331 242 HG2 ARG 32 HG2 ARG 32 27.538 12.594 -6.469 243 HG3 ARG 32 HG1 ARG 32 27.485 11.172 -5.427 244 HD2 ARG 32 HD2 ARG 32 29.149 10.067 -6.621 245 HD3 ARG 32 HD1 ARG 32 28.833 10.973 -8.098 246 HE ARG 32 HE ARG 32 29.828 12.627 -5.958 247 HH11 ARG 32 HH11 ARG 32 31.915 13.470 -6.260 248 HH12 ARG 32 HH12 ARG 32 32.951 12.794 -7.473 249 HH21 ARG 32 HH21 ARG 32 30.631 10.439 -8.516 250 HH22 ARG 32 HH22 ARG 32 32.224 11.078 -8.751 251 H CYS 33 H CYS 33 22.849 10.763 -6.404 252 HA CYS 33 HA CYS 33 23.159 10.837 -3.507 253 HB2 CYS 33 HB2 CYS 33 20.851 10.461 -3.398 254 HB3 CYS 33 HB1 CYS 33 21.017 11.393 -4.886 255 H VAL 34 H VAL 34 23.293 9.045 -2.183 256 HA VAL 34 HA VAL 34 23.490 6.424 -3.535 257 HB VAL 34 HB VAL 34 25.276 7.257 -1.249 258 HG11 VAL 34 HG11 VAL 34 25.420 5.050 -3.325 259 HG12 VAL 34 HG12 VAL 34 24.957 4.842 -1.636 260 HG13 VAL 34 HG13 VAL 34 26.601 5.333 -2.046 261 HG21 VAL 34 HG21 VAL 34 27.026 7.660 -2.922 262 HG22 VAL 34 HG22 VAL 34 25.660 8.735 -3.217 263 HG23 VAL 34 HG23 VAL 34 25.891 7.304 -4.222 264 H CYS 35 H CYS 35 21.801 5.282 -2.790 265 HA CYS 35 HA CYS 35 20.441 5.791 -0.401 266 HB2 CYS 35 HB2 CYS 35 19.896 3.154 -0.877 267 HB3 CYS 35 HB1 CYS 35 19.065 4.514 -1.637 268 H TYR 36 H TYR 36 20.356 4.628 1.563 269 HA TYR 36 HA TYR 36 22.522 4.279 3.054 270 HB2 TYR 36 HB2 TYR 36 19.944 3.600 3.429 271 HB3 TYR 36 HB1 TYR 36 20.655 1.988 3.310 272 HD1 TYR 36 HD1 TYR 36 21.520 1.025 5.243 273 HD2 TYR 36 HD2 TYR 36 21.348 5.306 4.931 274 HE1 TYR 36 HE1 TYR 36 22.375 1.229 7.561 275 HE2 TYR 36 HE2 TYR 36 22.202 5.509 7.250 276 HH TYR 36 HH TYR 36 23.768 3.642 8.800 277 H ARG 37 H ARG 37 21.161 1.257 1.764 278 HA ARG 37 HA ARG 37 23.805 0.059 1.749 279 HB2 ARG 37 HB2 ARG 37 21.190 -1.145 0.823 280 HB3 ARG 37 HB1 ARG 37 22.666 -2.004 1.263 281 HG2 ARG 37 HG2 ARG 37 21.746 -2.167 3.328 282 HG3 ARG 37 HG1 ARG 37 22.189 -0.469 3.505 283 HD2 ARG 37 HD2 ARG 37 19.946 0.098 2.447 284 HD3 ARG 37 HD1 ARG 37 19.528 -1.603 2.623 285 HE ARG 37 HE ARG 37 19.896 0.328 4.805 286 HH11 ARG 37 HH11 ARG 37 19.053 -0.381 6.792 287 HH12 ARG 37 HH12 ARG 37 18.504 -2.016 6.960 288 HH21 ARG 37 HH21 ARG 37 19.278 -2.892 3.695 289 HH22 ARG 37 HH22 ARG 37 18.631 -3.437 5.205 290 H LYS 38 H LYS 38 24.639 -1.080 -0.133 291 HA LYS 38 HA LYS 38 24.951 0.511 -2.379 292 HB2 LYS 38 HB2 LYS 38 26.131 -1.743 -1.545 293 HB3 LYS 38 HB1 LYS 38 25.071 -2.437 -2.773 294 HG2 LYS 38 HG2 LYS 38 25.992 -1.026 -4.485 295 HG3 LYS 38 HG1 LYS 38 26.869 -0.059 -3.299 296 HD2 LYS 38 HD2 LYS 38 28.385 -1.822 -2.818 297 HD3 LYS 38 HD1 LYS 38 27.360 -3.023 -3.602 298 HE2 LYS 38 HE2 LYS 38 27.759 -1.921 -5.786 299 HE3 LYS 38 HE1 LYS 38 28.824 -0.760 -4.993 300 HZ1 LYS 38 HZ1 LYS 38 29.334 -3.611 -4.578 301 HZ2 LYS 38 HZ2 LYS 38 30.429 -2.314 -4.654 302 HZ3 LYS 38 HZ3 LYS 38 29.752 -2.943 -6.079 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 19.322 19.507 -4.918 2 HA2 GLY 1 HA2 GLY 1 20.909 19.006 -6.524 3 HA3 GLY 1 HA1 GLY 1 21.424 17.753 -5.398 4 H PHE 2 H PHE 2 21.902 16.284 -7.055 5 HA PHE 2 HA PHE 2 20.494 15.537 -9.258 6 HB2 PHE 2 HB2 PHE 2 22.595 14.470 -8.680 7 HB3 PHE 2 HB1 PHE 2 21.853 13.703 -7.278 8 HD1 PHE 2 HD1 PHE 2 21.596 13.937 -11.002 9 HD2 PHE 2 HD2 PHE 2 20.777 11.617 -7.480 10 HE1 PHE 2 HE1 PHE 2 20.864 12.040 -12.422 11 HE2 PHE 2 HE2 PHE 2 20.044 9.720 -8.900 12 HZ PHE 2 HZ PHE 2 20.087 9.932 -11.371 13 H GLY 3 H GLY 3 19.668 14.885 -5.931 14 HA2 GLY 3 HA2 GLY 3 17.050 13.893 -6.832 15 HA3 GLY 3 HA1 GLY 3 17.978 12.933 -5.691 16 H CYS 4 H CYS 4 16.663 13.108 -3.930 17 HA CYS 4 HA CYS 4 15.111 15.060 -2.956 18 HB2 CYS 4 HB2 CYS 4 16.671 14.283 -0.712 19 HB3 CYS 4 HB1 CYS 4 15.098 13.663 -1.207 20 HA PRO 5 HA PRO 5 14.832 15.793 -0.747 21 HB2 PRO 5 HB2 PRO 5 13.914 18.239 0.033 22 HB3 PRO 5 HB1 PRO 5 15.160 17.344 0.923 23 HG2 PRO 5 HG2 PRO 5 15.429 19.677 -0.872 24 HG3 PRO 5 HG1 PRO 5 16.389 19.215 0.542 25 HD2 PRO 5 HD2 PRO 5 17.144 18.834 -2.134 26 HD3 PRO 5 HD1 PRO 5 17.876 18.031 -0.727 27 H PHE 6 H PHE 6 15.291 17.942 -3.385 28 HA PHE 6 HA PHE 6 12.745 18.797 -4.039 29 HB2 PHE 6 HB2 PHE 6 14.575 17.744 -6.173 30 HB3 PHE 6 HB1 PHE 6 13.537 19.168 -6.202 31 HD1 PHE 6 HD1 PHE 6 14.470 19.917 -3.223 32 HD2 PHE 6 HD2 PHE 6 16.498 19.125 -6.928 33 HE1 PHE 6 HE1 PHE 6 16.375 21.314 -2.479 34 HE2 PHE 6 HE2 PHE 6 18.402 20.525 -6.182 35 HZ PHE 6 HZ PHE 6 18.342 21.619 -3.959 36 H ASN 7 H ASN 7 14.252 15.948 -5.577 37 HA ASN 7 HA ASN 7 11.569 14.702 -5.665 38 HB2 ASN 7 HB2 ASN 7 13.086 13.365 -7.536 39 HB3 ASN 7 HB1 ASN 7 11.952 14.667 -7.888 40 HD21 ASN 7 HD21 ASN 7 15.379 13.877 -7.551 41 HD22 ASN 7 HD22 ASN 7 15.959 15.352 -8.156 42 H GLN 8 H GLN 8 12.179 13.984 -3.441 43 HA GLN 8 HA GLN 8 14.312 12.220 -2.929 44 HB2 GLN 8 HB2 GLN 8 12.921 13.365 -1.194 45 HB3 GLN 8 HB1 GLN 8 11.607 12.252 -1.576 46 HG2 GLN 8 HG2 GLN 8 13.981 10.705 -1.201 47 HG3 GLN 8 HG1 GLN 8 13.839 11.819 0.158 48 HE21 GLN 8 HE21 GLN 8 12.686 10.887 1.844 49 HE22 GLN 8 HE22 GLN 8 11.377 9.822 1.659 50 H GLY 9 H GLY 9 11.045 11.667 -4.141 51 HA2 GLY 9 HA2 GLY 9 10.922 8.883 -3.896 52 HA3 GLY 9 HA1 GLY 9 10.072 9.822 -5.113 53 H LYS 10 H LYS 10 12.207 10.882 -6.547 54 HA LYS 10 HA LYS 10 12.806 8.826 -8.347 55 HB2 LYS 10 HB2 LYS 10 12.938 11.288 -8.823 56 HB3 LYS 10 HB1 LYS 10 14.442 11.332 -7.908 57 HG2 LYS 10 HG2 LYS 10 14.257 9.241 -10.002 58 HG3 LYS 10 HG1 LYS 10 14.361 10.908 -10.564 59 HD2 LYS 10 HD2 LYS 10 16.357 11.233 -9.089 60 HD3 LYS 10 HD1 LYS 10 16.296 9.514 -8.698 61 HE2 LYS 10 HE2 LYS 10 16.300 10.317 -11.580 62 HE3 LYS 10 HE1 LYS 10 17.818 10.395 -10.686 63 HZ1 LYS 10 HZ1 LYS 10 18.003 8.219 -10.951 64 HZ2 LYS 10 HZ2 LYS 10 16.483 8.131 -11.706 65 HZ3 LYS 10 HZ3 LYS 10 16.606 7.991 -10.017 66 H CYS 11 H CYS 11 14.430 9.877 -5.447 67 HA CYS 11 HA CYS 11 16.637 7.990 -5.971 68 HB2 CYS 11 HB2 CYS 11 16.365 10.462 -4.304 69 HB3 CYS 11 HB1 CYS 11 17.521 9.225 -3.809 70 H HIS 12 H HIS 12 13.781 8.443 -4.123 71 HA HIS 12 HA HIS 12 14.641 6.534 -2.069 72 HB2 HIS 12 HB2 HIS 12 13.249 8.665 -1.612 73 HB3 HIS 12 HB1 HIS 12 11.896 7.756 -2.283 74 HD1 HIS 12 HD1 HIS 12 14.706 6.760 0.108 75 HD2 HIS 12 HD2 HIS 12 10.547 6.657 -0.144 76 HE1 HIS 12 HE1 HIS 12 13.890 5.590 2.201 77 HE2 HIS 12 HE2 HIS 12 11.356 5.520 2.062 78 H ARG 13 H ARG 13 12.649 6.752 -4.916 79 HA ARG 13 HA ARG 13 11.382 4.174 -4.437 80 HB2 ARG 13 HB2 ARG 13 11.286 6.027 -6.830 81 HB3 ARG 13 HB1 ARG 13 10.314 4.569 -6.632 82 HG2 ARG 13 HG2 ARG 13 9.358 5.540 -4.538 83 HG3 ARG 13 HG1 ARG 13 10.257 7.024 -4.854 84 HD2 ARG 13 HD2 ARG 13 8.283 7.597 -5.887 85 HD3 ARG 13 HD1 ARG 13 9.063 6.779 -7.237 86 HE ARG 13 HE ARG 13 7.571 4.939 -5.633 87 HH11 ARG 13 HH11 ARG 13 5.621 4.160 -6.502 88 HH12 ARG 13 HH12 ARG 13 4.877 4.987 -7.828 89 HH21 ARG 13 HH21 ARG 13 7.329 7.430 -8.023 90 HH22 ARG 13 HH22 ARG 13 5.843 6.841 -8.690 91 H HIS 14 H HIS 14 14.002 5.565 -6.292 92 HA HIS 14 HA HIS 14 14.451 3.460 -8.097 93 HB2 HIS 14 HB2 HIS 14 15.576 5.480 -8.552 94 HB3 HIS 14 HB1 HIS 14 16.240 5.574 -6.917 95 HD1 HIS 14 HD1 HIS 14 18.670 5.082 -6.961 96 HD2 HIS 14 HD2 HIS 14 16.603 2.729 -9.711 97 HE1 HIS 14 HE1 HIS 14 20.389 3.576 -8.049 98 HE2 HIS 14 HE2 HIS 14 19.147 2.134 -9.729 99 H CYS 15 H CYS 15 16.114 4.100 -4.973 100 HA CYS 15 HA CYS 15 17.392 1.513 -5.078 101 HB2 CYS 15 HB2 CYS 15 18.096 3.759 -3.794 102 HB3 CYS 15 HB1 CYS 15 17.215 2.961 -2.489 103 H ARG 16 H ARG 16 14.658 2.921 -3.303 104 HA ARG 16 HA ARG 16 14.140 0.835 -1.554 105 HB2 ARG 16 HB2 ARG 16 12.854 2.870 -1.401 106 HB3 ARG 16 HB1 ARG 16 12.174 2.617 -3.010 107 HG2 ARG 16 HG2 ARG 16 10.928 0.709 -2.287 108 HG3 ARG 16 HG1 ARG 16 11.817 0.622 -0.766 109 HD2 ARG 16 HD2 ARG 16 10.820 2.676 0.015 110 HD3 ARG 16 HD1 ARG 16 10.081 2.974 -1.555 111 HE ARG 16 HE ARG 16 9.303 0.488 -0.241 112 HH11 ARG 16 HH11 ARG 16 7.089 0.326 0.216 113 HH12 ARG 16 HH12 ARG 16 6.078 1.728 0.096 114 HH21 ARG 16 HH21 ARG 16 8.660 3.836 -0.860 115 HH22 ARG 16 HH22 ARG 16 6.968 3.715 -0.512 116 H SER 17 H SER 17 13.768 0.991 -4.986 117 HA SER 17 HA SER 17 11.942 -1.192 -5.270 118 HB2 SER 17 HB2 SER 17 11.926 -0.281 -7.324 119 HB3 SER 17 HB1 SER 17 13.409 0.613 -7.000 120 HG SER 17 HG SER 17 13.251 -2.138 -7.703 121 H ILE 18 H ILE 18 15.429 -0.848 -5.090 122 HA ILE 18 HA ILE 18 15.860 -3.675 -5.668 123 HB ILE 18 HB ILE 18 17.872 -1.565 -4.863 124 HG12 ILE 18 HG12 ILE 18 16.879 -2.467 -7.584 125 HG13 ILE 18 HG11 ILE 18 16.752 -0.848 -6.896 126 HG21 ILE 18 HG21 ILE 18 19.445 -3.172 -5.142 127 HG22 ILE 18 HG22 ILE 18 18.672 -3.785 -6.603 128 HG23 ILE 18 HG23 ILE 18 18.115 -4.322 -5.018 129 HD11 ILE 18 HD11 ILE 18 19.289 -0.821 -6.776 130 HD12 ILE 18 HD12 ILE 18 18.617 -0.805 -8.407 131 HD13 ILE 18 HD13 ILE 18 19.271 -2.300 -7.737 132 H ARG 19 H ARG 19 14.276 -3.437 -3.446 133 HA ARG 19 HA ARG 19 14.103 -4.345 -1.337 134 HB2 ARG 19 HB2 ARG 19 17.062 -4.881 -1.353 135 HB3 ARG 19 HB1 ARG 19 15.778 -5.787 -0.552 136 HG2 ARG 19 HG2 ARG 19 14.880 -6.188 -2.967 137 HG3 ARG 19 HG1 ARG 19 16.510 -5.741 -3.472 138 HD2 ARG 19 HD2 ARG 19 17.137 -7.477 -1.516 139 HD3 ARG 19 HD1 ARG 19 15.577 -8.145 -1.985 140 HE ARG 19 HE ARG 19 17.225 -7.622 -4.269 141 HH11 ARG 19 HH11 ARG 19 18.093 -9.435 -5.336 142 HH12 ARG 19 HH12 ARG 19 18.134 -10.968 -4.531 143 HH21 ARG 19 HH21 ARG 19 16.667 -9.780 -1.623 144 HH22 ARG 19 HH22 ARG 19 17.326 -11.163 -2.430 145 H ARG 20 H ARG 20 16.953 -2.337 -1.900 146 HA ARG 20 HA ARG 20 17.674 -1.509 0.583 147 HB2 ARG 20 HB2 ARG 20 17.496 -0.122 -2.059 148 HB3 ARG 20 HB1 ARG 20 17.885 0.838 -0.639 149 HG2 ARG 20 HG2 ARG 20 20.034 0.192 -1.018 150 HG3 ARG 20 HG1 ARG 20 19.548 -1.347 -0.322 151 HD2 ARG 20 HD2 ARG 20 19.241 -2.349 -2.430 152 HD3 ARG 20 HD1 ARG 20 19.153 -0.798 -3.258 153 HE ARG 20 HE ARG 20 21.520 -0.626 -3.117 154 HH11 ARG 20 HH11 ARG 20 23.511 -1.715 -3.094 155 HH12 ARG 20 HH12 ARG 20 23.605 -3.328 -2.468 156 HH21 ARG 20 HH21 ARG 20 20.231 -3.513 -1.699 157 HH22 ARG 20 HH22 ARG 20 21.751 -4.343 -1.678 158 H ARG 21 H ARG 21 17.218 0.639 1.660 159 HA ARG 21 HA ARG 21 14.378 1.402 1.510 160 HB2 ARG 21 HB2 ARG 21 15.819 0.260 3.871 161 HB3 ARG 21 HB1 ARG 21 14.579 1.487 4.136 162 HG2 ARG 21 HG2 ARG 21 12.926 0.154 2.964 163 HG3 ARG 21 HG1 ARG 21 14.152 -1.028 2.500 164 HD2 ARG 21 HD2 ARG 21 12.924 -1.888 4.413 165 HD3 ARG 21 HD1 ARG 21 14.564 -1.489 4.920 166 HE ARG 21 HE ARG 21 12.963 0.768 5.372 167 HH11 ARG 21 HH11 ARG 21 12.156 1.172 7.452 168 HH12 ARG 21 HH12 ARG 21 12.032 -0.124 8.595 169 HH21 ARG 21 HH21 ARG 21 13.285 -2.515 6.416 170 HH22 ARG 21 HH22 ARG 21 12.670 -2.214 8.008 171 H GLY 22 H GLY 22 16.543 2.258 4.113 172 HA2 GLY 22 HA2 GLY 22 16.137 5.011 3.928 173 HA3 GLY 22 HA1 GLY 22 17.496 4.253 4.753 174 H GLY 23 H GLY 23 18.072 6.593 3.652 175 HA2 GLY 23 HA2 GLY 23 20.207 6.131 1.945 176 HA3 GLY 23 HA1 GLY 23 18.832 6.507 0.913 177 H TYR 24 H TYR 24 20.820 8.192 0.662 178 HA TYR 24 HA TYR 24 19.851 10.623 2.015 179 HB2 TYR 24 HB2 TYR 24 22.042 9.630 3.018 180 HB3 TYR 24 HB1 TYR 24 22.793 10.229 1.539 181 HD1 TYR 24 HD1 TYR 24 23.630 12.404 1.557 182 HD2 TYR 24 HD2 TYR 24 20.370 11.393 4.166 183 HE1 TYR 24 HE1 TYR 24 23.678 14.695 2.505 184 HE2 TYR 24 HE2 TYR 24 20.419 13.685 5.113 185 HH TYR 24 HH TYR 24 22.788 16.097 3.971 186 H CYS 25 H CYS 25 21.201 12.552 0.876 187 HA CYS 25 HA CYS 25 21.688 12.122 -1.936 188 HB2 CYS 25 HB2 CYS 25 19.595 14.133 -1.705 189 HB3 CYS 25 HB1 CYS 25 19.730 12.775 -2.822 190 H ASP 26 H ASP 26 22.975 13.686 -2.756 191 HA ASP 26 HA ASP 26 23.950 15.715 -0.938 192 HB2 ASP 26 HB2 ASP 26 25.200 14.287 -2.820 193 HB3 ASP 26 HB1 ASP 26 24.767 15.688 -3.800 194 H GLY 27 H GLY 27 21.692 16.683 -0.882 195 HA2 GLY 27 HA2 GLY 27 20.502 18.009 -3.021 196 HA3 GLY 27 HA1 GLY 27 20.364 18.511 -1.337 197 H PHE 28 H PHE 28 20.437 20.343 -3.464 198 HA PHE 28 HA PHE 28 21.405 22.390 -3.902 199 HB2 PHE 28 HB2 PHE 28 22.037 22.196 -1.412 200 HB3 PHE 28 HB1 PHE 28 23.627 21.699 -1.989 201 HD1 PHE 28 HD1 PHE 28 24.835 23.225 -3.661 202 HD2 PHE 28 HD2 PHE 28 21.441 24.480 -1.349 203 HE1 PHE 28 HE1 PHE 28 25.439 25.595 -4.064 204 HE2 PHE 28 HE2 PHE 28 22.044 26.851 -1.751 205 HZ PHE 28 HZ PHE 28 24.043 27.410 -3.110 206 H LEU 29 H LEU 29 23.185 19.435 -3.998 207 HA LEU 29 HA LEU 29 24.892 20.546 -6.145 208 HB2 LEU 29 HB2 LEU 29 25.540 18.688 -3.887 209 HB3 LEU 29 HB1 LEU 29 26.408 18.523 -5.415 210 HG LEU 29 HG LEU 29 26.107 21.247 -4.191 211 HD11 LEU 29 HD11 LEU 29 26.952 19.576 -2.445 212 HD12 LEU 29 HD12 LEU 29 28.011 20.945 -2.785 213 HD13 LEU 29 HD13 LEU 29 28.364 19.363 -3.480 214 HD21 LEU 29 HD21 LEU 29 27.056 21.001 -6.451 215 HD22 LEU 29 HD22 LEU 29 28.259 19.869 -5.832 216 HD23 LEU 29 HD23 LEU 29 28.292 21.557 -5.323 217 H LYS 30 H LYS 30 24.231 19.794 -8.048 218 HA LYS 30 HA LYS 30 22.607 17.458 -8.336 219 HB2 LYS 30 HB2 LYS 30 23.127 17.874 -10.828 220 HB3 LYS 30 HB1 LYS 30 22.244 19.129 -9.959 221 HG2 LYS 30 HG2 LYS 30 25.197 19.342 -9.848 222 HG3 LYS 30 HG1 LYS 30 24.475 19.620 -11.433 223 HD2 LYS 30 HD2 LYS 30 23.158 21.421 -10.649 224 HD3 LYS 30 HD1 LYS 30 23.380 20.961 -8.962 225 HE2 LYS 30 HE2 LYS 30 25.972 21.373 -10.059 226 HE3 LYS 30 HE1 LYS 30 24.978 22.743 -10.551 227 HZ1 LYS 30 HZ1 LYS 30 24.232 22.786 -8.135 228 HZ2 LYS 30 HZ2 LYS 30 25.805 23.332 -8.473 229 HZ3 LYS 30 HZ3 LYS 30 25.562 21.783 -7.818 230 H GLN 31 H GLN 31 24.405 16.239 -7.041 231 HA GLN 31 HA GLN 31 26.506 15.221 -8.820 232 HB2 GLN 31 HB2 GLN 31 26.044 15.188 -5.862 233 HB3 GLN 31 HB1 GLN 31 27.082 13.959 -6.587 234 HG2 GLN 31 HG2 GLN 31 28.412 15.762 -7.669 235 HG3 GLN 31 HG1 GLN 31 27.412 16.961 -6.854 236 HE21 GLN 31 HE21 GLN 31 28.465 17.763 -5.043 237 HE22 GLN 31 HE22 GLN 31 29.454 16.852 -4.007 238 H ARG 32 H ARG 32 24.934 13.402 -6.251 239 HA ARG 32 HA ARG 32 23.218 11.817 -7.813 240 HB2 ARG 32 HB2 ARG 32 25.832 11.270 -8.471 241 HB3 ARG 32 HB1 ARG 32 25.497 10.056 -7.237 242 HG2 ARG 32 HG2 ARG 32 24.695 8.919 -9.070 243 HG3 ARG 32 HG1 ARG 32 23.232 9.812 -8.654 244 HD2 ARG 32 HD2 ARG 32 23.877 9.951 -11.092 245 HD3 ARG 32 HD1 ARG 32 23.713 11.512 -10.292 246 HE ARG 32 HE ARG 32 26.387 10.788 -10.043 247 HH11 ARG 32 HH11 ARG 32 27.936 11.543 -11.517 248 HH12 ARG 32 HH12 ARG 32 27.447 12.054 -13.098 249 HH21 ARG 32 HH21 ARG 32 24.086 11.386 -12.560 250 HH22 ARG 32 HH22 ARG 32 25.266 11.964 -13.688 251 H CYS 33 H CYS 33 22.063 10.409 -6.541 252 HA CYS 33 HA CYS 33 22.720 10.438 -3.677 253 HB2 CYS 33 HB2 CYS 33 20.411 9.759 -3.320 254 HB3 CYS 33 HB1 CYS 33 20.446 11.154 -4.398 255 H VAL 34 H VAL 34 23.000 8.567 -2.486 256 HA VAL 34 HA VAL 34 22.906 5.999 -3.923 257 HB VAL 34 HB VAL 34 25.297 7.048 -2.389 258 HG11 VAL 34 HG11 VAL 34 26.215 4.766 -3.312 259 HG12 VAL 34 HG12 VAL 34 24.512 4.308 -3.353 260 HG13 VAL 34 HG13 VAL 34 25.264 4.777 -1.828 261 HG21 VAL 34 HG21 VAL 34 25.251 7.914 -4.641 262 HG22 VAL 34 HG22 VAL 34 24.799 6.340 -5.296 263 HG23 VAL 34 HG23 VAL 34 26.412 6.586 -4.623 264 H CYS 35 H CYS 35 21.171 5.324 -2.723 265 HA CYS 35 HA CYS 35 20.445 5.602 -0.177 266 HB2 CYS 35 HB2 CYS 35 20.018 2.965 -0.297 267 HB3 CYS 35 HB1 CYS 35 19.067 4.115 -1.239 268 H TYR 36 H TYR 36 20.779 4.429 1.814 269 HA TYR 36 HA TYR 36 23.369 4.416 2.753 270 HB2 TYR 36 HB2 TYR 36 21.183 4.225 4.072 271 HB3 TYR 36 HB1 TYR 36 21.283 2.486 3.769 272 HD1 TYR 36 HD1 TYR 36 22.540 1.140 5.208 273 HD2 TYR 36 HD2 TYR 36 23.346 5.354 5.026 274 HE1 TYR 36 HE1 TYR 36 24.162 0.908 7.067 275 HE2 TYR 36 HE2 TYR 36 24.969 5.124 6.886 276 HH TYR 36 HH TYR 36 25.818 1.947 8.201 277 H ARG 37 H ARG 37 21.587 1.362 2.393 278 HA ARG 37 HA ARG 37 23.751 -0.349 2.371 279 HB2 ARG 37 HB2 ARG 37 21.108 -0.562 0.929 280 HB3 ARG 37 HB1 ARG 37 22.261 -1.890 1.038 281 HG2 ARG 37 HG2 ARG 37 21.047 -2.376 2.922 282 HG3 ARG 37 HG1 ARG 37 22.145 -1.200 3.643 283 HD2 ARG 37 HD2 ARG 37 20.211 0.444 2.643 284 HD3 ARG 37 HD1 ARG 37 19.259 -0.978 3.052 285 HE ARG 37 HE ARG 37 21.092 0.090 5.085 286 HH11 ARG 37 HH11 ARG 37 20.080 0.571 7.056 287 HH12 ARG 37 HH12 ARG 37 18.352 0.521 7.172 288 HH21 ARG 37 HH21 ARG 37 17.891 -0.397 3.859 289 HH22 ARG 37 HH22 ARG 37 17.112 -0.029 5.363 290 H LYS 38 H LYS 38 25.455 -0.509 1.066 291 HA LYS 38 HA LYS 38 25.627 0.903 -1.408 292 HB2 LYS 38 HB2 LYS 38 27.608 0.528 -0.034 293 HB3 LYS 38 HB1 LYS 38 27.434 -1.217 -0.225 294 HG2 LYS 38 HG2 LYS 38 27.375 -0.066 -2.833 295 HG3 LYS 38 HG1 LYS 38 28.745 0.638 -1.973 296 HD2 LYS 38 HD2 LYS 38 29.424 -1.694 -1.304 297 HD3 LYS 38 HD1 LYS 38 28.164 -2.307 -2.375 298 HE2 LYS 38 HE2 LYS 38 30.352 -0.427 -3.293 299 HE3 LYS 38 HE1 LYS 38 30.470 -2.183 -3.417 300 HZ1 LYS 38 HZ1 LYS 38 29.538 -1.762 -5.415 301 HZ2 LYS 38 HZ2 LYS 38 28.797 -0.320 -4.907 302 HZ3 LYS 38 HZ3 LYS 38 28.101 -1.819 -4.514 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 21.354 17.943 -4.020 2 HA2 GLY 1 HA2 GLY 1 19.755 18.735 -5.764 3 HA3 GLY 1 HA1 GLY 1 21.154 18.893 -6.822 4 H PHE 2 H PHE 2 19.971 17.473 -8.279 5 HA PHE 2 HA PHE 2 19.724 15.428 -9.304 6 HB2 PHE 2 HB2 PHE 2 22.081 15.131 -8.287 7 HB3 PHE 2 HB1 PHE 2 21.272 14.171 -7.050 8 HD1 PHE 2 HD1 PHE 2 21.625 14.516 -10.754 9 HD2 PHE 2 HD2 PHE 2 20.729 11.920 -7.453 10 HE1 PHE 2 HE1 PHE 2 21.559 12.577 -12.299 11 HE2 PHE 2 HE2 PHE 2 20.664 9.979 -8.996 12 HZ PHE 2 HZ PHE 2 21.078 10.308 -11.419 13 H GLY 3 H GLY 3 19.270 15.541 -5.818 14 HA2 GLY 3 HA2 GLY 3 16.685 14.244 -6.085 15 HA3 GLY 3 HA1 GLY 3 17.876 13.337 -5.160 16 H CYS 4 H CYS 4 17.088 13.499 -3.147 17 HA CYS 4 HA CYS 4 15.649 15.291 -1.825 18 HB2 CYS 4 HB2 CYS 4 16.291 14.066 -0.078 19 HB3 CYS 4 HB1 CYS 4 17.560 13.348 -1.054 20 HA PRO 5 HA PRO 5 15.614 16.197 0.155 21 HB2 PRO 5 HB2 PRO 5 14.730 18.535 1.175 22 HB3 PRO 5 HB1 PRO 5 16.272 17.819 1.685 23 HG2 PRO 5 HG2 PRO 5 15.758 20.102 -0.133 24 HG3 PRO 5 HG1 PRO 5 17.097 19.829 0.993 25 HD2 PRO 5 HD2 PRO 5 17.162 19.385 -1.793 26 HD3 PRO 5 HD1 PRO 5 18.359 18.808 -0.614 27 H PHE 6 H PHE 6 15.457 17.795 -2.711 28 HA PHE 6 HA PHE 6 12.686 18.579 -2.763 29 HB2 PHE 6 HB2 PHE 6 14.604 18.141 -5.063 30 HB3 PHE 6 HB1 PHE 6 13.073 19.013 -5.126 31 HD1 PHE 6 HD1 PHE 6 16.571 19.329 -4.639 32 HD2 PHE 6 HD2 PHE 6 12.807 20.970 -3.378 33 HE1 PHE 6 HE1 PHE 6 17.721 21.400 -3.904 34 HE2 PHE 6 HE2 PHE 6 13.956 23.042 -2.644 35 HZ PHE 6 HZ PHE 6 16.413 23.257 -2.907 36 H ASN 7 H ASN 7 14.159 16.429 -5.151 37 HA ASN 7 HA ASN 7 11.762 14.752 -5.052 38 HB2 ASN 7 HB2 ASN 7 13.089 13.685 -7.078 39 HB3 ASN 7 HB1 ASN 7 12.201 15.197 -7.270 40 HD21 ASN 7 HD21 ASN 7 15.107 13.850 -8.054 41 HD22 ASN 7 HD22 ASN 7 16.082 15.240 -8.054 42 H GLN 8 H GLN 8 12.752 14.132 -2.815 43 HA GLN 8 HA GLN 8 14.970 12.460 -2.577 44 HB2 GLN 8 HB2 GLN 8 13.646 13.433 -0.687 45 HB3 GLN 8 HB1 GLN 8 12.392 12.235 -1.011 46 HG2 GLN 8 HG2 GLN 8 14.454 10.559 -0.875 47 HG3 GLN 8 HG1 GLN 8 15.137 11.852 0.110 48 HE21 GLN 8 HE21 GLN 8 14.811 9.826 1.712 49 HE22 GLN 8 HE22 GLN 8 13.352 9.846 2.579 50 H GLY 9 H GLY 9 11.739 11.792 -3.746 51 HA2 GLY 9 HA2 GLY 9 11.726 8.989 -3.562 52 HA3 GLY 9 HA1 GLY 9 10.819 9.928 -4.735 53 H LYS 10 H LYS 10 12.919 11.134 -6.133 54 HA LYS 10 HA LYS 10 13.562 9.185 -8.033 55 HB2 LYS 10 HB2 LYS 10 13.620 11.625 -8.455 56 HB3 LYS 10 HB1 LYS 10 15.055 11.751 -7.445 57 HG2 LYS 10 HG2 LYS 10 15.185 9.707 -9.580 58 HG3 LYS 10 HG1 LYS 10 15.154 11.385 -10.119 59 HD2 LYS 10 HD2 LYS 10 17.038 11.913 -8.620 60 HD3 LYS 10 HD1 LYS 10 17.082 10.233 -8.085 61 HE2 LYS 10 HE2 LYS 10 18.317 11.387 -10.396 62 HE3 LYS 10 HE1 LYS 10 18.392 9.717 -9.835 63 HZ1 LYS 10 HZ1 LYS 10 16.354 10.930 -11.614 64 HZ2 LYS 10 HZ2 LYS 10 16.189 9.389 -10.918 65 HZ3 LYS 10 HZ3 LYS 10 17.461 9.705 -12.000 66 H CYS 11 H CYS 11 15.012 9.972 -5.020 67 HA CYS 11 HA CYS 11 17.344 8.269 -5.646 68 HB2 CYS 11 HB2 CYS 11 16.953 10.468 -3.614 69 HB3 CYS 11 HB1 CYS 11 18.322 9.357 -3.567 70 H HIS 12 H HIS 12 14.521 8.624 -3.647 71 HA HIS 12 HA HIS 12 15.393 6.500 -1.827 72 HB2 HIS 12 HB2 HIS 12 14.241 8.198 -0.671 73 HB3 HIS 12 HB1 HIS 12 13.005 8.334 -1.919 74 HD1 HIS 12 HD1 HIS 12 14.294 5.593 0.415 75 HD2 HIS 12 HD2 HIS 12 10.714 6.981 -1.210 76 HE1 HIS 12 HE1 HIS 12 12.456 4.149 1.391 77 HE2 HIS 12 HE2 HIS 12 10.268 4.982 0.409 78 H ARG 13 H ARG 13 13.557 6.959 -4.685 79 HA ARG 13 HA ARG 13 12.134 4.414 -4.408 80 HB2 ARG 13 HB2 ARG 13 12.108 6.352 -6.734 81 HB3 ARG 13 HB1 ARG 13 10.970 5.039 -6.426 82 HG2 ARG 13 HG2 ARG 13 11.156 6.782 -4.117 83 HG3 ARG 13 HG1 ARG 13 10.739 7.707 -5.560 84 HD2 ARG 13 HD2 ARG 13 8.900 6.145 -6.042 85 HD3 ARG 13 HD1 ARG 13 9.323 5.196 -4.620 86 HE ARG 13 HE ARG 13 8.729 8.011 -4.133 87 HH11 ARG 13 HH11 ARG 13 6.951 8.368 -2.771 88 HH12 ARG 13 HH12 ARG 13 5.889 7.056 -2.378 89 HH21 ARG 13 HH21 ARG 13 7.632 4.730 -4.265 90 HH22 ARG 13 HH22 ARG 13 6.274 4.999 -3.226 91 H HIS 14 H HIS 14 14.811 5.891 -6.098 92 HA HIS 14 HA HIS 14 15.216 3.928 -8.088 93 HB2 HIS 14 HB2 HIS 14 16.418 5.896 -8.448 94 HB3 HIS 14 HB1 HIS 14 16.969 5.982 -6.772 95 HD1 HIS 14 HD1 HIS 14 19.385 5.431 -6.589 96 HD2 HIS 14 HD2 HIS 14 17.559 3.240 -9.629 97 HE1 HIS 14 HE1 HIS 14 21.188 3.968 -7.599 98 HE2 HIS 14 HE2 HIS 14 20.091 2.625 -9.454 99 H CYS 15 H CYS 15 16.819 4.356 -4.916 100 HA CYS 15 HA CYS 15 18.211 1.872 -5.081 101 HB2 CYS 15 HB2 CYS 15 18.455 4.064 -3.492 102 HB3 CYS 15 HB1 CYS 15 17.651 2.940 -2.389 103 H ARG 16 H ARG 16 15.181 2.906 -3.574 104 HA ARG 16 HA ARG 16 14.495 0.743 -2.052 105 HB2 ARG 16 HB2 ARG 16 12.976 2.587 -2.194 106 HB3 ARG 16 HB1 ARG 16 12.768 2.361 -3.932 107 HG2 ARG 16 HG2 ARG 16 11.657 0.236 -3.584 108 HG3 ARG 16 HG1 ARG 16 11.999 0.294 -1.855 109 HD2 ARG 16 HD2 ARG 16 10.048 1.367 -1.559 110 HD3 ARG 16 HD1 ARG 16 10.710 2.727 -2.461 111 HE ARG 16 HE ARG 16 9.732 0.707 -4.228 112 HH11 ARG 16 HH11 ARG 16 7.783 1.134 -5.314 113 HH12 ARG 16 HH12 ARG 16 6.733 2.385 -4.736 114 HH21 ARG 16 HH21 ARG 16 8.789 3.255 -2.084 115 HH22 ARG 16 HH22 ARG 16 7.302 3.585 -2.908 116 H SER 17 H SER 17 14.437 1.003 -5.571 117 HA SER 17 HA SER 17 13.134 -1.428 -6.143 118 HB2 SER 17 HB2 SER 17 13.506 -0.817 -8.281 119 HB3 SER 17 HB1 SER 17 14.229 0.647 -7.619 120 HG SER 17 HG SER 17 16.087 -0.056 -8.283 121 H ILE 18 H ILE 18 16.575 -0.642 -5.742 122 HA ILE 18 HA ILE 18 17.520 -3.286 -6.227 123 HB ILE 18 HB ILE 18 18.956 -1.281 -4.502 124 HG12 ILE 18 HG12 ILE 18 18.691 -1.239 -7.527 125 HG13 ILE 18 HG11 ILE 18 18.022 -0.038 -6.422 126 HG21 ILE 18 HG21 ILE 18 20.301 -2.713 -6.699 127 HG22 ILE 18 HG22 ILE 18 19.631 -3.767 -5.454 128 HG23 ILE 18 HG23 ILE 18 20.793 -2.514 -5.017 129 HD11 ILE 18 HD11 ILE 18 20.766 -0.334 -7.405 130 HD12 ILE 18 HD12 ILE 18 20.679 -0.177 -5.651 131 HD13 ILE 18 HD13 ILE 18 19.978 1.069 -6.684 132 H ARG 19 H ARG 19 15.383 -2.595 -4.056 133 HA ARG 19 HA ARG 19 14.681 -3.741 -2.180 134 HB2 ARG 19 HB2 ARG 19 17.342 -5.087 -1.896 135 HB3 ARG 19 HB1 ARG 19 15.731 -5.702 -1.529 136 HG2 ARG 19 HG2 ARG 19 15.521 -5.220 -4.218 137 HG3 ARG 19 HG1 ARG 19 17.208 -5.716 -4.082 138 HD2 ARG 19 HD2 ARG 19 16.553 -7.770 -2.941 139 HD3 ARG 19 HD1 ARG 19 14.866 -7.265 -2.942 140 HE ARG 19 HE ARG 19 16.208 -7.528 -5.540 141 HH11 ARG 19 HH11 ARG 19 15.156 -8.953 -6.962 142 HH12 ARG 19 HH12 ARG 19 13.858 -9.944 -6.385 143 HH21 ARG 19 HH21 ARG 19 14.021 -8.727 -3.142 144 HH22 ARG 19 HH22 ARG 19 13.215 -9.815 -4.222 145 H ARG 20 H ARG 20 16.315 -1.215 -2.278 146 HA ARG 20 HA ARG 20 17.627 -1.265 0.347 147 HB2 ARG 20 HB2 ARG 20 17.824 0.386 -2.075 148 HB3 ARG 20 HB1 ARG 20 17.822 1.324 -0.584 149 HG2 ARG 20 HG2 ARG 20 20.105 0.814 -0.933 150 HG3 ARG 20 HG1 ARG 20 19.588 -0.379 0.256 151 HD2 ARG 20 HD2 ARG 20 19.003 -1.792 -1.910 152 HD3 ARG 20 HD1 ARG 20 20.206 -0.739 -2.650 153 HE ARG 20 HE ARG 20 21.514 -1.585 -0.458 154 HH11 ARG 20 HH11 ARG 20 22.661 -3.537 -0.278 155 HH12 ARG 20 HH12 ARG 20 22.202 -4.897 -1.248 156 HH21 ARG 20 HH21 ARG 20 19.598 -3.233 -2.821 157 HH22 ARG 20 HH22 ARG 20 20.468 -4.726 -2.688 158 H ARG 21 H ARG 21 17.217 0.866 1.658 159 HA ARG 21 HA ARG 21 14.331 1.495 1.609 160 HB2 ARG 21 HB2 ARG 21 15.956 0.347 3.819 161 HB3 ARG 21 HB1 ARG 21 14.768 1.577 4.247 162 HG2 ARG 21 HG2 ARG 21 12.971 0.309 3.333 163 HG3 ARG 21 HG1 ARG 21 14.072 -0.786 2.497 164 HD2 ARG 21 HD2 ARG 21 13.331 -1.986 4.414 165 HD3 ARG 21 HD1 ARG 21 14.957 -1.435 4.804 166 HE ARG 21 HE ARG 21 13.491 0.556 5.833 167 HH11 ARG 21 HH11 ARG 21 12.465 0.553 7.864 168 HH12 ARG 21 HH12 ARG 21 11.960 -0.946 8.570 169 HH21 ARG 21 HH21 ARG 21 13.104 -2.884 5.934 170 HH22 ARG 21 HH22 ARG 21 12.324 -2.888 7.480 171 H GLY 22 H GLY 22 16.533 2.483 4.119 172 HA2 GLY 22 HA2 GLY 22 15.906 5.213 3.920 173 HA3 GLY 22 HA1 GLY 22 17.280 4.549 4.795 174 H GLY 23 H GLY 23 17.470 6.985 3.508 175 HA2 GLY 23 HA2 GLY 23 19.826 6.804 2.066 176 HA3 GLY 23 HA1 GLY 23 18.537 6.802 0.867 177 H TYR 24 H TYR 24 20.187 8.842 0.651 178 HA TYR 24 HA TYR 24 18.540 11.132 1.110 179 HB2 TYR 24 HB2 TYR 24 20.783 12.108 2.387 180 HB3 TYR 24 HB1 TYR 24 19.276 11.650 3.179 181 HD1 TYR 24 HD1 TYR 24 22.314 9.934 1.769 182 HD2 TYR 24 HD2 TYR 24 19.467 10.196 4.975 183 HE1 TYR 24 HE1 TYR 24 23.493 8.109 2.967 184 HE2 TYR 24 HE2 TYR 24 20.645 8.371 6.172 185 HH TYR 24 HH TYR 24 22.346 6.282 5.118 186 H CYS 25 H CYS 25 19.326 13.001 0.012 187 HA CYS 25 HA CYS 25 21.020 12.368 -2.219 188 HB2 CYS 25 HB2 CYS 25 20.583 14.625 -2.963 189 HB3 CYS 25 HB1 CYS 25 19.081 13.933 -2.373 190 H ASP 26 H ASP 26 23.046 13.297 -2.733 191 HA ASP 26 HA ASP 26 24.471 14.510 -0.445 192 HB2 ASP 26 HB2 ASP 26 25.267 12.184 -2.170 193 HB3 ASP 26 HB1 ASP 26 26.496 13.195 -1.410 194 H GLY 27 H GLY 27 24.363 16.572 -1.292 195 HA2 GLY 27 HA2 GLY 27 26.177 17.898 -2.521 196 HA3 GLY 27 HA1 GLY 27 25.609 17.009 -3.932 197 H PHE 28 H PHE 28 25.591 19.860 -3.614 198 HA PHE 28 HA PHE 28 22.753 20.520 -3.247 199 HB2 PHE 28 HB2 PHE 28 24.667 21.890 -2.229 200 HB3 PHE 28 HB1 PHE 28 24.985 22.451 -3.870 201 HD1 PHE 28 HD1 PHE 28 23.226 23.699 -5.132 202 HD2 PHE 28 HD2 PHE 28 22.765 22.671 -0.986 203 HE1 PHE 28 HE1 PHE 28 21.397 25.361 -4.922 204 HE2 PHE 28 HE2 PHE 28 20.935 24.334 -0.777 205 HZ PHE 28 HZ PHE 28 20.251 25.678 -2.746 206 H LEU 29 H LEU 29 25.121 19.983 -5.683 207 HA LEU 29 HA LEU 29 23.317 21.090 -7.749 208 HB2 LEU 29 HB2 LEU 29 26.290 20.522 -7.854 209 HB3 LEU 29 HB1 LEU 29 25.324 21.105 -9.211 210 HG LEU 29 HG LEU 29 24.709 22.814 -7.054 211 HD11 LEU 29 HD11 LEU 29 26.879 21.777 -6.103 212 HD12 LEU 29 HD12 LEU 29 26.774 23.537 -6.156 213 HD13 LEU 29 HD13 LEU 29 27.707 22.672 -7.378 214 HD21 LEU 29 HD21 LEU 29 24.751 23.643 -9.278 215 HD22 LEU 29 HD22 LEU 29 26.389 23.051 -9.555 216 HD23 LEU 29 HD23 LEU 29 26.118 24.431 -8.491 217 H LYS 30 H LYS 30 22.443 19.742 -9.214 218 HA LYS 30 HA LYS 30 21.891 17.185 -9.039 219 HB2 LYS 30 HB2 LYS 30 23.037 17.910 -11.702 220 HB3 LYS 30 HB1 LYS 30 21.531 17.076 -11.319 221 HG2 LYS 30 HG2 LYS 30 20.714 19.272 -10.319 222 HG3 LYS 30 HG1 LYS 30 22.125 20.031 -11.058 223 HD2 LYS 30 HD2 LYS 30 20.429 18.285 -12.788 224 HD3 LYS 30 HD1 LYS 30 19.795 19.873 -12.352 225 HE2 LYS 30 HE2 LYS 30 21.348 20.981 -13.601 226 HE3 LYS 30 HE1 LYS 30 22.630 19.838 -13.197 227 HZ1 LYS 30 HZ1 LYS 30 21.211 19.970 -15.552 228 HZ2 LYS 30 HZ2 LYS 30 20.616 18.592 -14.756 229 HZ3 LYS 30 HZ3 LYS 30 22.278 18.741 -15.073 230 H GLN 31 H GLN 31 23.540 16.194 -7.728 231 HA GLN 31 HA GLN 31 25.984 15.412 -9.184 232 HB2 GLN 31 HB2 GLN 31 25.284 15.706 -6.294 233 HB3 GLN 31 HB1 GLN 31 26.505 14.516 -6.746 234 HG2 GLN 31 HG2 GLN 31 26.724 17.224 -7.972 235 HG3 GLN 31 HG1 GLN 31 27.131 17.078 -6.262 236 HE21 GLN 31 HE21 GLN 31 29.408 17.084 -6.287 237 HE22 GLN 31 HE22 GLN 31 30.349 16.007 -7.202 238 H ARG 32 H ARG 32 24.519 13.692 -6.498 239 HA ARG 32 HA ARG 32 23.287 11.631 -8.032 240 HB2 ARG 32 HB2 ARG 32 26.050 11.434 -7.999 241 HB3 ARG 32 HB1 ARG 32 25.552 10.366 -6.685 242 HG2 ARG 32 HG2 ARG 32 23.994 9.208 -8.199 243 HG3 ARG 32 HG1 ARG 32 24.461 10.286 -9.515 244 HD2 ARG 32 HD2 ARG 32 26.841 9.498 -9.196 245 HD3 ARG 32 HD1 ARG 32 26.224 8.289 -8.073 246 HE ARG 32 HE ARG 32 25.940 8.276 -10.968 247 HH11 ARG 32 HH11 ARG 32 25.050 6.367 -11.820 248 HH12 ARG 32 HH12 ARG 32 24.273 5.235 -10.764 249 HH21 ARG 32 HH21 ARG 32 24.835 7.110 -7.903 250 HH22 ARG 32 HH22 ARG 32 24.150 5.655 -8.549 251 H CYS 33 H CYS 33 23.225 9.544 -6.437 252 HA CYS 33 HA CYS 33 22.744 10.553 -3.708 253 HB2 CYS 33 HB2 CYS 33 20.838 9.032 -5.478 254 HB3 CYS 33 HB1 CYS 33 20.678 9.039 -3.721 255 H VAL 34 H VAL 34 22.869 8.997 -2.053 256 HA VAL 34 HA VAL 34 23.883 6.342 -2.816 257 HB VAL 34 HB VAL 34 25.197 8.045 -0.690 258 HG11 VAL 34 HG11 VAL 34 26.456 5.708 -2.064 259 HG12 VAL 34 HG12 VAL 34 25.211 5.382 -0.857 260 HG13 VAL 34 HG13 VAL 34 26.661 6.280 -0.409 261 HG21 VAL 34 HG21 VAL 34 25.517 9.007 -2.973 262 HG22 VAL 34 HG22 VAL 34 26.148 7.451 -3.512 263 HG23 VAL 34 HG23 VAL 34 27.019 8.381 -2.292 264 H CYS 35 H CYS 35 21.862 5.515 -2.148 265 HA CYS 35 HA CYS 35 20.429 5.994 0.122 266 HB2 CYS 35 HB2 CYS 35 20.340 3.230 -0.068 267 HB3 CYS 35 HB1 CYS 35 19.307 4.365 -0.942 268 H TYR 36 H TYR 36 20.372 5.105 2.231 269 HA TYR 36 HA TYR 36 22.526 5.208 3.811 270 HB2 TYR 36 HB2 TYR 36 20.259 4.743 4.654 271 HB3 TYR 36 HB1 TYR 36 20.384 3.083 4.063 272 HD1 TYR 36 HD1 TYR 36 21.976 1.496 5.086 273 HD2 TYR 36 HD2 TYR 36 21.462 5.473 6.625 274 HE1 TYR 36 HE1 TYR 36 23.135 0.836 7.176 275 HE2 TYR 36 HE2 TYR 36 22.622 4.814 8.716 276 HH TYR 36 HH TYR 36 23.065 2.716 9.985 277 H ARG 37 H ARG 37 21.430 2.052 2.541 278 HA ARG 37 HA ARG 37 23.729 0.623 3.269 279 HB2 ARG 37 HB2 ARG 37 21.720 0.138 1.060 280 HB3 ARG 37 HB1 ARG 37 22.961 -1.021 1.533 281 HG2 ARG 37 HG2 ARG 37 21.293 -1.761 2.923 282 HG3 ARG 37 HG1 ARG 37 21.937 -0.494 3.965 283 HD2 ARG 37 HD2 ARG 37 20.199 0.934 2.414 284 HD3 ARG 37 HD1 ARG 37 19.373 -0.616 2.505 285 HE ARG 37 HE ARG 37 20.168 1.000 4.858 286 HH11 ARG 37 HH11 ARG 37 18.764 0.751 6.615 287 HH12 ARG 37 HH12 ARG 37 17.434 -0.354 6.511 288 HH21 ARG 37 HH21 ARG 37 18.164 -1.363 3.280 289 HH22 ARG 37 HH22 ARG 37 17.097 -1.543 4.629 290 H LYS 38 H LYS 38 23.253 0.228 -0.067 291 HA LYS 38 HA LYS 38 25.984 0.843 -0.660 292 HB2 LYS 38 HB2 LYS 38 24.322 -0.849 -1.798 293 HB3 LYS 38 HB1 LYS 38 23.908 0.543 -2.797 294 HG2 LYS 38 HG2 LYS 38 25.699 -0.043 -4.053 295 HG3 LYS 38 HG1 LYS 38 26.667 0.643 -2.747 296 HD2 LYS 38 HD2 LYS 38 26.524 -1.659 -1.632 297 HD3 LYS 38 HD1 LYS 38 25.914 -2.252 -3.177 298 HE2 LYS 38 HE2 LYS 38 27.996 -1.111 -4.209 299 HE3 LYS 38 HE1 LYS 38 28.616 -1.067 -2.558 300 HZ1 LYS 38 HZ1 LYS 38 27.726 -3.494 -4.019 301 HZ2 LYS 38 HZ2 LYS 38 28.290 -3.461 -2.417 302 HZ3 LYS 38 HZ3 LYS 38 29.333 -3.062 -3.697 Start of MODEL 11 1 H1 GLY 1 H1 GLY 1 21.322 16.530 -3.629 2 HA2 GLY 1 HA2 GLY 1 21.824 18.365 -5.501 3 HA3 GLY 1 HA1 GLY 1 23.135 17.231 -5.811 4 H PHE 2 H PHE 2 21.609 17.498 -7.895 5 HA PHE 2 HA PHE 2 20.315 16.367 -9.419 6 HB2 PHE 2 HB2 PHE 2 21.676 14.436 -8.139 7 HB3 PHE 2 HB1 PHE 2 20.039 13.991 -7.663 8 HD1 PHE 2 HD1 PHE 2 18.657 15.105 -10.181 9 HD2 PHE 2 HD2 PHE 2 22.089 12.582 -9.629 10 HE1 PHE 2 HE1 PHE 2 18.281 14.105 -12.417 11 HE2 PHE 2 HE2 PHE 2 21.713 11.581 -11.866 12 HZ PHE 2 HZ PHE 2 19.810 12.341 -13.260 13 H GLY 3 H GLY 3 19.157 15.085 -6.307 14 HA2 GLY 3 HA2 GLY 3 16.551 16.356 -6.842 15 HA3 GLY 3 HA1 GLY 3 16.648 14.654 -6.396 16 H CYS 4 H CYS 4 15.516 14.887 -4.493 17 HA CYS 4 HA CYS 4 15.126 15.370 -2.287 18 HB2 CYS 4 HB2 CYS 4 17.952 15.803 -1.627 19 HB3 CYS 4 HB1 CYS 4 16.817 14.615 -0.989 20 HA PRO 5 HA PRO 5 15.140 15.959 -0.216 21 HB2 PRO 5 HB2 PRO 5 13.509 17.549 1.263 22 HB3 PRO 5 HB1 PRO 5 15.263 17.483 1.512 23 HG2 PRO 5 HG2 PRO 5 13.617 19.557 0.193 24 HG3 PRO 5 HG1 PRO 5 15.122 19.717 1.113 25 HD2 PRO 5 HD2 PRO 5 14.910 19.738 -1.687 26 HD3 PRO 5 HD1 PRO 5 16.407 19.504 -0.763 27 H PHE 6 H PHE 6 13.299 18.331 -2.024 28 HA PHE 6 HA PHE 6 10.714 17.256 -1.783 29 HB2 PHE 6 HB2 PHE 6 11.892 18.666 -4.189 30 HB3 PHE 6 HB1 PHE 6 10.184 18.546 -3.765 31 HD1 PHE 6 HD1 PHE 6 13.210 20.431 -3.349 32 HD2 PHE 6 HD2 PHE 6 9.440 19.526 -1.495 33 HE1 PHE 6 HE1 PHE 6 13.413 22.464 -1.944 34 HE2 PHE 6 HE2 PHE 6 9.644 21.562 -0.090 35 HZ PHE 6 HZ PHE 6 11.631 23.028 -0.314 36 H ASN 7 H ASN 7 13.177 16.751 -4.312 37 HA ASN 7 HA ASN 7 11.610 14.571 -5.450 38 HB2 ASN 7 HB2 ASN 7 13.123 16.433 -6.643 39 HB3 ASN 7 HB1 ASN 7 14.342 15.178 -6.442 40 HD21 ASN 7 HD21 ASN 7 14.423 14.531 -8.674 41 HD22 ASN 7 HD22 ASN 7 13.105 13.805 -9.460 42 H GLN 8 H GLN 8 12.565 14.155 -2.808 43 HA GLN 8 HA GLN 8 14.944 12.604 -2.728 44 HB2 GLN 8 HB2 GLN 8 14.069 13.478 -0.672 45 HB3 GLN 8 HB1 GLN 8 12.510 12.694 -0.935 46 HG2 GLN 8 HG2 GLN 8 13.296 10.614 -0.338 47 HG3 GLN 8 HG1 GLN 8 14.930 10.952 -0.907 48 HE21 GLN 8 HE21 GLN 8 16.374 11.064 0.807 49 HE22 GLN 8 HE22 GLN 8 16.015 11.680 2.347 50 H GLY 9 H GLY 9 11.547 11.810 -3.246 51 HA2 GLY 9 HA2 GLY 9 11.656 9.034 -3.133 52 HA3 GLY 9 HA1 GLY 9 10.556 9.946 -4.149 53 H LYS 10 H LYS 10 12.644 11.235 -5.701 54 HA LYS 10 HA LYS 10 12.907 9.344 -7.770 55 HB2 LYS 10 HB2 LYS 10 13.032 11.898 -7.946 56 HB3 LYS 10 HB1 LYS 10 14.703 11.747 -7.419 57 HG2 LYS 10 HG2 LYS 10 13.952 9.913 -9.597 58 HG3 LYS 10 HG1 LYS 10 13.901 11.623 -10.015 59 HD2 LYS 10 HD2 LYS 10 16.195 11.937 -9.326 60 HD3 LYS 10 HD1 LYS 10 16.269 10.301 -8.672 61 HE2 LYS 10 HE2 LYS 10 15.781 10.961 -11.592 62 HE3 LYS 10 HE1 LYS 10 17.341 10.485 -10.923 63 HZ1 LYS 10 HZ1 LYS 10 16.054 8.632 -11.909 64 HZ2 LYS 10 HZ2 LYS 10 14.875 8.849 -10.705 65 HZ3 LYS 10 HZ3 LYS 10 16.453 8.387 -10.279 66 H CYS 11 H CYS 11 15.032 10.266 -5.136 67 HA CYS 11 HA CYS 11 16.968 8.249 -6.074 68 HB2 CYS 11 HB2 CYS 11 17.241 10.814 -4.574 69 HB3 CYS 11 HB1 CYS 11 18.366 9.509 -4.189 70 H HIS 12 H HIS 12 14.469 8.734 -3.898 71 HA HIS 12 HA HIS 12 15.655 6.892 -1.925 72 HB2 HIS 12 HB2 HIS 12 14.759 8.708 -0.749 73 HB3 HIS 12 HB1 HIS 12 13.358 8.825 -1.810 74 HD1 HIS 12 HD1 HIS 12 14.835 6.082 0.412 75 HD2 HIS 12 HD2 HIS 12 11.150 7.778 -0.548 76 HE1 HIS 12 HE1 HIS 12 13.100 4.845 1.782 77 HE2 HIS 12 HE2 HIS 12 10.847 5.867 1.207 78 H ARG 13 H ARG 13 13.169 7.176 -4.370 79 HA ARG 13 HA ARG 13 11.885 4.691 -3.549 80 HB2 ARG 13 HB2 ARG 13 10.192 5.238 -5.010 81 HB3 ARG 13 HB1 ARG 13 10.828 6.854 -4.699 82 HG2 ARG 13 HG2 ARG 13 12.387 6.432 -6.711 83 HG3 ARG 13 HG1 ARG 13 11.329 5.079 -7.084 84 HD2 ARG 13 HD2 ARG 13 9.414 6.535 -7.290 85 HD3 ARG 13 HD1 ARG 13 10.336 7.909 -6.689 86 HE ARG 13 HE ARG 13 11.586 6.836 -9.005 87 HH11 ARG 13 HH11 ARG 13 11.360 7.976 -10.953 88 HH12 ARG 13 HH12 ARG 13 10.088 9.137 -11.132 89 HH21 ARG 13 HH21 ARG 13 8.829 8.638 -7.938 90 HH22 ARG 13 HH22 ARG 13 8.651 9.509 -9.424 91 H HIS 14 H HIS 14 14.116 5.912 -5.963 92 HA HIS 14 HA HIS 14 14.140 3.740 -7.735 93 HB2 HIS 14 HB2 HIS 14 15.409 6.132 -7.631 94 HB3 HIS 14 HB1 HIS 14 16.734 5.051 -7.200 95 HD1 HIS 14 HD1 HIS 14 13.887 4.380 -9.635 96 HD2 HIS 14 HD2 HIS 14 18.036 4.780 -9.640 97 HE1 HIS 14 HE1 HIS 14 14.660 3.796 -11.973 98 HE2 HIS 14 HE2 HIS 14 17.187 4.038 -11.994 99 H CYS 15 H CYS 15 16.377 4.404 -5.014 100 HA CYS 15 HA CYS 15 17.694 1.902 -5.181 101 HB2 CYS 15 HB2 CYS 15 18.124 4.203 -3.783 102 HB3 CYS 15 HB1 CYS 15 17.533 3.131 -2.510 103 H ARG 16 H ARG 16 15.077 3.047 -3.050 104 HA ARG 16 HA ARG 16 14.600 0.997 -1.388 105 HB2 ARG 16 HB2 ARG 16 13.075 2.875 -1.490 106 HB3 ARG 16 HB1 ARG 16 12.523 2.389 -3.094 107 HG2 ARG 16 HG2 ARG 16 11.183 0.735 -2.276 108 HG3 ARG 16 HG1 ARG 16 12.334 0.294 -1.013 109 HD2 ARG 16 HD2 ARG 16 11.512 1.857 0.479 110 HD3 ARG 16 HD1 ARG 16 10.959 2.938 -0.797 111 HE ARG 16 HE ARG 16 8.968 1.685 -0.951 112 HH11 ARG 16 HH11 ARG 16 7.480 0.247 -0.015 113 HH12 ARG 16 HH12 ARG 16 7.996 -0.826 1.244 114 HH21 ARG 16 HH21 ARG 16 11.274 0.305 1.230 115 HH22 ARG 16 HH22 ARG 16 10.143 -0.793 1.948 116 H SER 17 H SER 17 13.720 0.995 -4.835 117 HA SER 17 HA SER 17 12.481 -1.516 -4.925 118 HB2 SER 17 HB2 SER 17 13.265 0.454 -6.782 119 HB3 SER 17 HB1 SER 17 14.018 -1.045 -7.319 120 HG SER 17 HG SER 17 11.415 -0.296 -7.358 121 H ILE 18 H ILE 18 15.892 -0.614 -5.306 122 HA ILE 18 HA ILE 18 16.823 -3.253 -5.838 123 HB ILE 18 HB ILE 18 18.522 -1.128 -4.564 124 HG12 ILE 18 HG12 ILE 18 17.532 -1.200 -7.433 125 HG13 ILE 18 HG11 ILE 18 17.158 0.041 -6.238 126 HG21 ILE 18 HG21 ILE 18 20.227 -2.354 -5.417 127 HG22 ILE 18 HG22 ILE 18 19.410 -2.568 -6.965 128 HG23 ILE 18 HG23 ILE 18 19.030 -3.632 -5.611 129 HD11 ILE 18 HD11 ILE 18 20.013 -0.314 -6.372 130 HD12 ILE 18 HD12 ILE 18 19.066 1.131 -6.725 131 HD13 ILE 18 HD13 ILE 18 19.382 -0.048 -7.997 132 H ARG 19 H ARG 19 15.053 -3.246 -3.608 133 HA ARG 19 HA ARG 19 14.854 -4.165 -1.516 134 HB2 ARG 19 HB2 ARG 19 17.689 -5.112 -1.983 135 HB3 ARG 19 HB1 ARG 19 16.523 -5.781 -0.842 136 HG2 ARG 19 HG2 ARG 19 15.030 -6.014 -3.027 137 HG3 ARG 19 HG1 ARG 19 16.606 -6.022 -3.822 138 HD2 ARG 19 HD2 ARG 19 17.337 -7.910 -2.510 139 HD3 ARG 19 HD1 ARG 19 15.902 -7.823 -1.491 140 HE ARG 19 HE ARG 19 15.213 -8.189 -4.247 141 HH11 ARG 19 HH11 ARG 19 14.421 -10.236 -4.837 142 HH12 ARG 19 HH12 ARG 19 14.673 -11.592 -3.788 143 HH21 ARG 19 HH21 ARG 19 16.393 -9.761 -1.400 144 HH22 ARG 19 HH22 ARG 19 15.790 -11.322 -1.844 145 H ARG 20 H ARG 20 16.154 -1.453 -1.973 146 HA ARG 20 HA ARG 20 17.830 -1.218 0.418 147 HB2 ARG 20 HB2 ARG 20 17.517 0.257 -2.067 148 HB3 ARG 20 HB1 ARG 20 17.470 1.329 -0.671 149 HG2 ARG 20 HG2 ARG 20 19.775 1.138 -1.243 150 HG3 ARG 20 HG1 ARG 20 19.556 0.086 0.154 151 HD2 ARG 20 HD2 ARG 20 19.113 -1.784 -1.565 152 HD3 ARG 20 HD1 ARG 20 19.813 -0.688 -2.750 153 HE ARG 20 HE ARG 20 21.833 -0.675 -1.215 154 HH11 ARG 20 HH11 ARG 20 23.337 -2.228 -0.540 155 HH12 ARG 20 HH12 ARG 20 22.854 -3.883 -0.373 156 HH21 ARG 20 HH21 ARG 20 19.579 -3.318 -1.336 157 HH22 ARG 20 HH22 ARG 20 20.736 -4.494 -0.817 158 H ARG 21 H ARG 21 17.379 0.674 1.885 159 HA ARG 21 HA ARG 21 14.612 1.537 2.054 160 HB2 ARG 21 HB2 ARG 21 15.740 -0.589 3.796 161 HB3 ARG 21 HB1 ARG 21 14.767 0.653 4.585 162 HG2 ARG 21 HG2 ARG 21 12.988 0.249 2.840 163 HG3 ARG 21 HG1 ARG 21 13.936 -1.130 2.282 164 HD2 ARG 21 HD2 ARG 21 13.205 -0.870 5.189 165 HD3 ARG 21 HD1 ARG 21 12.048 -1.533 4.038 166 HE ARG 21 HE ARG 21 14.278 -2.979 3.519 167 HH11 ARG 21 HH11 ARG 21 14.870 -4.871 4.624 168 HH12 ARG 21 HH12 ARG 21 14.340 -5.118 6.254 169 HH21 ARG 21 HH21 ARG 21 12.613 -2.117 6.427 170 HH22 ARG 21 HH22 ARG 21 13.062 -3.559 7.275 171 H GLY 22 H GLY 22 16.151 3.430 1.659 172 HA2 GLY 22 HA2 GLY 22 16.167 5.356 3.415 173 HA3 GLY 22 HA1 GLY 22 17.435 4.370 4.136 174 H GLY 23 H GLY 23 17.636 7.079 3.050 175 HA2 GLY 23 HA2 GLY 23 20.107 6.942 1.782 176 HA3 GLY 23 HA1 GLY 23 18.899 7.054 0.506 177 H TYR 24 H TYR 24 20.566 9.071 0.486 178 HA TYR 24 HA TYR 24 18.935 11.346 1.031 179 HB2 TYR 24 HB2 TYR 24 21.169 10.691 2.923 180 HB3 TYR 24 HB1 TYR 24 20.800 12.377 2.557 181 HD1 TYR 24 HD1 TYR 24 19.927 9.558 4.558 182 HD2 TYR 24 HD2 TYR 24 18.294 13.090 2.738 183 HE1 TYR 24 HE1 TYR 24 18.010 9.484 6.132 184 HE2 TYR 24 HE2 TYR 24 16.379 13.016 4.311 185 HH TYR 24 HH TYR 24 16.213 10.567 6.887 186 H CYS 25 H CYS 25 19.607 13.114 -0.122 187 HA CYS 25 HA CYS 25 21.350 12.772 -2.278 188 HB2 CYS 25 HB2 CYS 25 19.882 14.993 -1.048 189 HB3 CYS 25 HB1 CYS 25 21.357 15.492 -1.876 190 H ASP 26 H ASP 26 23.485 13.194 -2.618 191 HA ASP 26 HA ASP 26 25.049 14.155 -0.301 192 HB2 ASP 26 HB2 ASP 26 25.591 11.845 -2.155 193 HB3 ASP 26 HB1 ASP 26 26.879 12.614 -1.231 194 H GLY 27 H GLY 27 25.137 16.256 -1.128 195 HA2 GLY 27 HA2 GLY 27 27.130 17.388 -2.285 196 HA3 GLY 27 HA1 GLY 27 26.500 16.591 -3.722 197 H PHE 28 H PHE 28 26.577 19.061 -4.229 198 HA PHE 28 HA PHE 28 23.887 20.150 -3.659 199 HB2 PHE 28 HB2 PHE 28 25.749 21.378 -2.486 200 HB3 PHE 28 HB1 PHE 28 26.387 21.798 -4.074 201 HD1 PHE 28 HD1 PHE 28 25.311 23.441 -5.470 202 HD2 PHE 28 HD2 PHE 28 23.520 22.209 -1.766 203 HE1 PHE 28 HE1 PHE 28 23.713 25.332 -5.614 204 HE2 PHE 28 HE2 PHE 28 21.922 24.100 -1.909 205 HZ PHE 28 HZ PHE 28 22.018 25.661 -3.834 206 H LEU 29 H LEU 29 26.556 19.824 -5.939 207 HA LEU 29 HA LEU 29 24.859 20.910 -8.083 208 HB2 LEU 29 HB2 LEU 29 27.827 20.390 -7.895 209 HB3 LEU 29 HB1 LEU 29 27.024 20.781 -9.416 210 HG LEU 29 HG LEU 29 26.930 22.494 -6.915 211 HD11 LEU 29 HD11 LEU 29 29.088 22.859 -7.685 212 HD12 LEU 29 HD12 LEU 29 28.207 24.030 -8.666 213 HD13 LEU 29 HD13 LEU 29 28.668 22.473 -9.355 214 HD21 LEU 29 HD21 LEU 29 25.536 22.522 -9.532 215 HD22 LEU 29 HD22 LEU 29 26.186 24.075 -9.005 216 HD23 LEU 29 HD23 LEU 29 25.037 23.207 -7.986 217 H LYS 30 H LYS 30 23.524 18.974 -8.026 218 HA LYS 30 HA LYS 30 23.100 16.705 -8.475 219 HB2 LYS 30 HB2 LYS 30 24.221 17.255 -11.166 220 HB3 LYS 30 HB1 LYS 30 22.633 16.639 -10.708 221 HG2 LYS 30 HG2 LYS 30 21.950 18.867 -9.961 222 HG3 LYS 30 HG1 LYS 30 23.555 19.502 -10.331 223 HD2 LYS 30 HD2 LYS 30 23.121 18.584 -12.724 224 HD3 LYS 30 HD1 LYS 30 21.427 18.546 -12.234 225 HE2 LYS 30 HE2 LYS 30 21.837 20.996 -11.453 226 HE3 LYS 30 HE1 LYS 30 23.259 20.923 -12.495 227 HZ1 LYS 30 HZ1 LYS 30 21.982 21.164 -14.271 228 HZ2 LYS 30 HZ2 LYS 30 20.643 21.405 -13.253 229 HZ3 LYS 30 HZ3 LYS 30 21.009 19.848 -13.826 230 H GLN 31 H GLN 31 24.920 15.961 -7.078 231 HA GLN 31 HA GLN 31 27.291 15.036 -8.503 232 HB2 GLN 31 HB2 GLN 31 26.416 14.991 -5.620 233 HB3 GLN 31 HB1 GLN 31 27.812 14.066 -6.173 234 HG2 GLN 31 HG2 GLN 31 27.719 16.879 -7.089 235 HG3 GLN 31 HG1 GLN 31 27.950 16.660 -5.357 236 HE21 GLN 31 HE21 GLN 31 29.287 15.543 -8.509 237 HE22 GLN 31 HE22 GLN 31 30.863 15.317 -7.921 238 H ARG 32 H ARG 32 25.217 13.337 -6.164 239 HA ARG 32 HA ARG 32 24.092 11.400 -7.769 240 HB2 ARG 32 HB2 ARG 32 25.683 9.471 -7.299 241 HB3 ARG 32 HB1 ARG 32 26.220 10.623 -8.519 242 HG2 ARG 32 HG2 ARG 32 27.296 11.809 -6.374 243 HG3 ARG 32 HG1 ARG 32 27.254 10.159 -5.757 244 HD2 ARG 32 HD2 ARG 32 28.620 11.151 -8.265 245 HD3 ARG 32 HD1 ARG 32 29.375 10.435 -6.843 246 HE ARG 32 HE ARG 32 28.130 9.016 -9.025 247 HH11 ARG 32 HH11 ARG 32 28.143 6.754 -8.873 248 HH12 ARG 32 HH12 ARG 32 28.504 5.993 -7.359 249 HH21 ARG 32 HH21 ARG 32 28.947 8.982 -5.659 250 HH22 ARG 32 HH22 ARG 32 28.956 7.253 -5.540 251 H CYS 33 H CYS 33 22.531 10.699 -6.448 252 HA CYS 33 HA CYS 33 22.759 10.891 -3.596 253 HB2 CYS 33 HB2 CYS 33 20.526 9.625 -3.702 254 HB3 CYS 33 HB1 CYS 33 20.579 11.223 -4.443 255 H VAL 34 H VAL 34 23.355 9.370 -2.162 256 HA VAL 34 HA VAL 34 23.857 6.646 -3.205 257 HB VAL 34 HB VAL 34 25.366 8.182 -1.076 258 HG11 VAL 34 HG11 VAL 34 26.657 5.798 -2.076 259 HG12 VAL 34 HG12 VAL 34 25.060 5.395 -1.443 260 HG13 VAL 34 HG13 VAL 34 26.236 6.215 -0.415 261 HG21 VAL 34 HG21 VAL 34 26.186 9.072 -3.051 262 HG22 VAL 34 HG22 VAL 34 25.795 7.629 -3.985 263 HG23 VAL 34 HG23 VAL 34 27.205 7.638 -2.927 264 H CYS 35 H CYS 35 22.062 5.547 -2.507 265 HA CYS 35 HA CYS 35 20.704 6.028 -0.103 266 HB2 CYS 35 HB2 CYS 35 20.178 3.388 -0.601 267 HB3 CYS 35 HB1 CYS 35 19.327 4.747 -1.335 268 H TYR 36 H TYR 36 20.853 5.235 1.912 269 HA TYR 36 HA TYR 36 22.958 4.796 3.359 270 HB2 TYR 36 HB2 TYR 36 20.542 4.369 4.047 271 HB3 TYR 36 HB1 TYR 36 20.802 2.695 3.549 272 HD1 TYR 36 HD1 TYR 36 21.697 1.174 5.077 273 HD2 TYR 36 HD2 TYR 36 22.364 5.376 5.661 274 HE1 TYR 36 HE1 TYR 36 22.796 0.696 7.248 275 HE2 TYR 36 HE2 TYR 36 23.463 4.899 7.832 276 HH TYR 36 HH TYR 36 24.758 2.455 8.740 277 H ARG 37 H ARG 37 21.569 1.702 2.296 278 HA ARG 37 HA ARG 37 23.984 0.288 2.546 279 HB2 ARG 37 HB2 ARG 37 21.570 -0.372 0.843 280 HB3 ARG 37 HB1 ARG 37 22.846 -1.501 1.293 281 HG2 ARG 37 HG2 ARG 37 21.479 -1.977 3.049 282 HG3 ARG 37 HG1 ARG 37 22.161 -0.505 3.739 283 HD2 ARG 37 HD2 ARG 37 20.239 0.663 2.357 284 HD3 ARG 37 HD1 ARG 37 19.495 -0.931 2.436 285 HE ARG 37 HE ARG 37 19.976 0.876 4.686 286 HH11 ARG 37 HH11 ARG 37 18.939 0.255 6.608 287 HH12 ARG 37 HH12 ARG 37 18.202 -1.309 6.721 288 HH21 ARG 37 HH21 ARG 37 19.071 -2.245 3.498 289 HH22 ARG 37 HH22 ARG 37 18.274 -2.724 4.959 290 H LYS 38 H LYS 38 23.028 -0.705 -0.411 291 HA LYS 38 HA LYS 38 25.402 0.312 -1.686 292 HB2 LYS 38 HB2 LYS 38 24.429 -2.000 -2.036 293 HB3 LYS 38 HB1 LYS 38 23.146 -1.233 -2.973 294 HG2 LYS 38 HG2 LYS 38 24.507 -0.851 -4.750 295 HG3 LYS 38 HG1 LYS 38 25.860 -0.368 -3.724 296 HD2 LYS 38 HD2 LYS 38 26.342 -2.719 -3.214 297 HD3 LYS 38 HD1 LYS 38 24.963 -3.227 -4.187 298 HE2 LYS 38 HE2 LYS 38 26.303 -3.255 -5.994 299 HE3 LYS 38 HE1 LYS 38 26.499 -1.510 -5.830 300 HZ1 LYS 38 HZ1 LYS 38 28.548 -1.759 -5.047 301 HZ2 LYS 38 HZ2 LYS 38 28.464 -3.378 -5.554 302 HZ3 LYS 38 HZ3 LYS 38 28.084 -2.966 -3.950 Start of MODEL 12 1 H1 GLY 1 H1 GLY 1 20.639 18.949 -4.580 2 HA2 GLY 1 HA2 GLY 1 23.028 19.013 -6.201 3 HA3 GLY 1 HA1 GLY 1 22.899 17.557 -5.218 4 H PHE 2 H PHE 2 22.569 16.125 -6.899 5 HA PHE 2 HA PHE 2 21.182 16.204 -9.179 6 HB2 PHE 2 HB2 PHE 2 21.986 14.080 -8.704 7 HB3 PHE 2 HB1 PHE 2 21.300 14.072 -7.080 8 HD1 PHE 2 HD1 PHE 2 20.377 13.986 -10.698 9 HD2 PHE 2 HD2 PHE 2 19.168 13.136 -6.664 10 HE1 PHE 2 HE1 PHE 2 18.362 12.818 -11.547 11 HE2 PHE 2 HE2 PHE 2 17.152 11.968 -7.515 12 HZ PHE 2 HZ PHE 2 16.749 11.810 -9.956 13 H GLY 3 H GLY 3 19.542 15.385 -6.128 14 HA2 GLY 3 HA2 GLY 3 17.156 16.828 -7.073 15 HA3 GLY 3 HA1 GLY 3 17.002 15.159 -6.538 16 H CYS 4 H CYS 4 15.843 15.396 -4.690 17 HA CYS 4 HA CYS 4 15.305 16.046 -2.537 18 HB2 CYS 4 HB2 CYS 4 17.916 16.524 -1.501 19 HB3 CYS 4 HB1 CYS 4 16.913 15.081 -1.311 20 HA PRO 5 HA PRO 5 15.914 16.747 -0.317 21 HB2 PRO 5 HB2 PRO 5 14.487 18.340 1.360 22 HB3 PRO 5 HB1 PRO 5 16.255 18.413 1.242 23 HG2 PRO 5 HG2 PRO 5 14.209 20.247 0.135 24 HG3 PRO 5 HG1 PRO 5 15.836 20.595 0.738 25 HD2 PRO 5 HD2 PRO 5 15.124 20.380 -1.960 26 HD3 PRO 5 HD1 PRO 5 16.781 20.292 -1.323 27 H PHE 6 H PHE 6 13.746 18.431 -2.331 28 HA PHE 6 HA PHE 6 11.335 17.152 -1.321 29 HB2 PHE 6 HB2 PHE 6 11.581 18.677 -3.910 30 HB3 PHE 6 HB1 PHE 6 10.158 18.467 -2.888 31 HD1 PHE 6 HD1 PHE 6 12.897 20.598 -3.684 32 HD2 PHE 6 HD2 PHE 6 10.337 19.401 -0.449 33 HE1 PHE 6 HE1 PHE 6 13.475 22.676 -2.458 34 HE2 PHE 6 HE2 PHE 6 10.913 21.478 0.777 35 HZ PHE 6 HZ PHE 6 12.482 23.116 -0.228 36 H ASN 7 H ASN 7 13.237 17.116 -4.338 37 HA ASN 7 HA ASN 7 11.782 14.923 -5.458 38 HB2 ASN 7 HB2 ASN 7 13.032 16.640 -6.794 39 HB3 ASN 7 HB1 ASN 7 14.534 15.911 -6.228 40 HD21 ASN 7 HD21 ASN 7 15.292 14.100 -7.376 41 HD22 ASN 7 HD22 ASN 7 14.393 13.276 -8.557 42 H GLN 8 H GLN 8 12.647 14.295 -2.841 43 HA GLN 8 HA GLN 8 14.983 12.619 -2.957 44 HB2 GLN 8 HB2 GLN 8 14.111 13.753 -0.873 45 HB3 GLN 8 HB1 GLN 8 12.800 12.569 -0.867 46 HG2 GLN 8 HG2 GLN 8 14.621 10.773 -0.974 47 HG3 GLN 8 HG1 GLN 8 15.766 12.059 -0.597 48 HE21 GLN 8 HE21 GLN 8 12.792 10.482 0.667 49 HE22 GLN 8 HE22 GLN 8 13.122 10.832 2.295 50 H GLY 9 H GLY 9 11.595 12.231 -3.583 51 HA2 GLY 9 HA2 GLY 9 11.244 9.487 -3.220 52 HA3 GLY 9 HA1 GLY 9 10.398 10.451 -4.426 53 H LYS 10 H LYS 10 11.953 11.102 -6.334 54 HA LYS 10 HA LYS 10 12.489 8.915 -7.892 55 HB2 LYS 10 HB2 LYS 10 12.663 11.530 -8.352 56 HB3 LYS 10 HB1 LYS 10 14.380 11.215 -8.108 57 HG2 LYS 10 HG2 LYS 10 12.632 9.644 -10.016 58 HG3 LYS 10 HG1 LYS 10 13.652 10.998 -10.504 59 HD2 LYS 10 HD2 LYS 10 15.448 9.517 -9.102 60 HD3 LYS 10 HD1 LYS 10 14.415 8.239 -9.742 61 HE2 LYS 10 HE2 LYS 10 15.674 10.439 -11.410 62 HE3 LYS 10 HE1 LYS 10 16.295 8.793 -11.280 63 HZ1 LYS 10 HZ1 LYS 10 14.878 8.178 -12.845 64 HZ2 LYS 10 HZ2 LYS 10 14.261 9.758 -12.950 65 HZ3 LYS 10 HZ3 LYS 10 13.570 8.643 -11.870 66 H CYS 11 H CYS 11 14.373 10.219 -5.294 67 HA CYS 11 HA CYS 11 16.689 8.537 -5.910 68 HB2 CYS 11 HB2 CYS 11 16.193 10.938 -4.341 69 HB3 CYS 11 HB1 CYS 11 17.060 9.719 -3.402 70 H HIS 12 H HIS 12 13.985 8.773 -3.690 71 HA HIS 12 HA HIS 12 14.903 6.646 -1.970 72 HB2 HIS 12 HB2 HIS 12 12.923 8.621 -1.836 73 HB3 HIS 12 HB1 HIS 12 12.034 7.102 -1.917 74 HD1 HIS 12 HD1 HIS 12 11.700 6.020 0.295 75 HD2 HIS 12 HD2 HIS 12 15.148 8.363 0.253 76 HE1 HIS 12 HE1 HIS 12 12.679 5.893 2.626 77 HE2 HIS 12 HE2 HIS 12 14.779 7.321 2.620 78 H ARG 13 H ARG 13 12.291 6.950 -4.388 79 HA ARG 13 HA ARG 13 11.482 4.264 -4.360 80 HB2 ARG 13 HB2 ARG 13 11.412 6.204 -6.681 81 HB3 ARG 13 HB1 ARG 13 10.453 4.732 -6.526 82 HG2 ARG 13 HG2 ARG 13 9.244 5.604 -4.654 83 HG3 ARG 13 HG1 ARG 13 10.358 6.964 -4.487 84 HD2 ARG 13 HD2 ARG 13 9.389 8.139 -6.184 85 HD3 ARG 13 HD1 ARG 13 9.075 6.695 -7.140 86 HE ARG 13 HE ARG 13 7.426 7.137 -4.751 87 HH11 ARG 13 HH11 ARG 13 5.198 7.152 -5.183 88 HH12 ARG 13 HH12 ARG 13 4.639 7.169 -6.823 89 HH21 ARG 13 HH21 ARG 13 7.823 7.165 -8.190 90 HH22 ARG 13 HH22 ARG 13 6.123 7.177 -8.523 91 H HIS 14 H HIS 14 13.880 5.935 -6.373 92 HA HIS 14 HA HIS 14 14.548 3.928 -8.138 93 HB2 HIS 14 HB2 HIS 14 15.543 6.075 -8.415 94 HB3 HIS 14 HB1 HIS 14 16.278 6.013 -6.811 95 HD1 HIS 14 HD1 HIS 14 18.672 6.245 -7.832 96 HD2 HIS 14 HD2 HIS 14 16.614 2.843 -9.085 97 HE1 HIS 14 HE1 HIS 14 20.383 4.735 -8.930 98 HE2 HIS 14 HE2 HIS 14 19.144 2.658 -9.702 99 H CYS 15 H CYS 15 16.340 4.549 -5.083 100 HA CYS 15 HA CYS 15 17.610 1.984 -5.258 101 HB2 CYS 15 HB2 CYS 15 18.178 4.296 -3.904 102 HB3 CYS 15 HB1 CYS 15 17.607 3.229 -2.617 103 H ARG 16 H ARG 16 14.891 3.291 -3.389 104 HA ARG 16 HA ARG 16 14.495 1.130 -1.670 105 HB2 ARG 16 HB2 ARG 16 13.224 3.268 -1.549 106 HB3 ARG 16 HB1 ARG 16 12.327 2.784 -2.987 107 HG2 ARG 16 HG2 ARG 16 12.201 0.582 -1.227 108 HG3 ARG 16 HG1 ARG 16 11.902 2.007 -0.234 109 HD2 ARG 16 HD2 ARG 16 9.772 1.312 -1.089 110 HD3 ARG 16 HD1 ARG 16 10.234 2.755 -1.986 111 HE ARG 16 HE ARG 16 10.356 1.454 -3.905 112 HH11 ARG 16 HH11 ARG 16 10.164 -0.493 -5.051 113 HH12 ARG 16 HH12 ARG 16 10.112 -1.997 -4.193 114 HH21 ARG 16 HH21 ARG 16 10.389 -0.525 -1.065 115 HH22 ARG 16 HH22 ARG 16 10.241 -2.015 -1.936 116 H SER 17 H SER 17 14.213 1.340 -5.062 117 HA SER 17 HA SER 17 12.341 -0.826 -5.415 118 HB2 SER 17 HB2 SER 17 12.764 1.035 -7.086 119 HB3 SER 17 HB1 SER 17 14.308 0.262 -7.438 120 HG SER 17 HG SER 17 12.939 -1.698 -7.752 121 H ILE 18 H ILE 18 15.827 -0.423 -5.296 122 HA ILE 18 HA ILE 18 16.348 -3.177 -6.060 123 HB ILE 18 HB ILE 18 18.339 -1.247 -4.874 124 HG12 ILE 18 HG12 ILE 18 17.472 -1.466 -7.776 125 HG13 ILE 18 HG11 ILE 18 17.093 -0.115 -6.706 126 HG21 ILE 18 HG21 ILE 18 18.410 -3.706 -6.614 127 HG22 ILE 18 HG22 ILE 18 19.313 -3.373 -5.135 128 HG23 ILE 18 HG23 ILE 18 19.746 -2.554 -6.636 129 HD11 ILE 18 HD11 ILE 18 19.820 -0.996 -7.673 130 HD12 ILE 18 HD12 ILE 18 19.601 0.138 -6.341 131 HD13 ILE 18 HD13 ILE 18 19.023 0.551 -7.956 132 H ARG 19 H ARG 19 14.662 -3.194 -3.907 133 HA ARG 19 HA ARG 19 14.405 -4.241 -1.877 134 HB2 ARG 19 HB2 ARG 19 17.361 -4.853 -1.958 135 HB3 ARG 19 HB1 ARG 19 16.083 -5.748 -1.134 136 HG2 ARG 19 HG2 ARG 19 15.096 -6.388 -3.277 137 HG3 ARG 19 HG1 ARG 19 16.293 -5.422 -4.141 138 HD2 ARG 19 HD2 ARG 19 18.096 -6.842 -3.293 139 HD3 ARG 19 HD1 ARG 19 16.942 -7.773 -2.341 140 HE ARG 19 HE ARG 19 16.378 -8.927 -4.273 141 HH11 ARG 19 HH11 ARG 19 16.495 -9.362 -6.501 142 HH12 ARG 19 HH12 ARG 19 17.246 -8.219 -7.562 143 HH21 ARG 19 HH21 ARG 19 18.014 -5.973 -5.034 144 HH22 ARG 19 HH22 ARG 19 18.108 -6.302 -6.732 145 H ARG 20 H ARG 20 17.189 -2.139 -2.274 146 HA ARG 20 HA ARG 20 17.897 -1.519 0.309 147 HB2 ARG 20 HB2 ARG 20 17.850 -0.053 -2.274 148 HB3 ARG 20 HB1 ARG 20 18.017 0.941 -0.835 149 HG2 ARG 20 HG2 ARG 20 20.208 0.417 -0.754 150 HG3 ARG 20 HG1 ARG 20 19.790 -1.273 -0.509 151 HD2 ARG 20 HD2 ARG 20 19.962 -1.787 -2.783 152 HD3 ARG 20 HD1 ARG 20 19.738 -0.113 -3.284 153 HE ARG 20 HE ARG 20 22.107 -0.234 -1.795 154 HH11 ARG 20 HH11 ARG 20 24.097 -0.315 -2.887 155 HH12 ARG 20 HH12 ARG 20 24.159 -0.885 -4.522 156 HH21 ARG 20 HH21 ARG 20 20.748 -1.476 -4.725 157 HH22 ARG 20 HH22 ARG 20 22.263 -1.542 -5.562 158 H ARG 21 H ARG 21 17.353 0.498 1.571 159 HA ARG 21 HA ARG 21 14.526 1.280 1.322 160 HB2 ARG 21 HB2 ARG 21 15.807 -0.102 3.645 161 HB3 ARG 21 HB1 ARG 21 14.585 1.127 3.964 162 HG2 ARG 21 HG2 ARG 21 12.970 -0.046 2.575 163 HG3 ARG 21 HG1 ARG 21 14.190 -1.223 2.090 164 HD2 ARG 21 HD2 ARG 21 12.833 -2.203 3.849 165 HD3 ARG 21 HD1 ARG 21 14.440 -1.880 4.492 166 HE ARG 21 HE ARG 21 13.010 0.379 5.099 167 HH11 ARG 21 HH11 ARG 21 11.887 0.619 7.059 168 HH12 ARG 21 HH12 ARG 21 11.348 -0.783 7.920 169 HH21 ARG 21 HH21 ARG 21 12.619 -3.025 5.601 170 HH22 ARG 21 HH22 ARG 21 11.762 -2.845 7.095 171 H GLY 22 H GLY 22 16.489 1.890 4.135 172 HA2 GLY 22 HA2 GLY 22 16.111 4.643 4.188 173 HA3 GLY 22 HA1 GLY 22 17.441 3.810 4.988 174 H GLY 23 H GLY 23 17.440 6.424 3.638 175 HA2 GLY 23 HA2 GLY 23 19.917 6.252 2.322 176 HA3 GLY 23 HA1 GLY 23 18.650 6.300 1.106 177 H TYR 24 H TYR 24 20.380 8.276 1.007 178 HA TYR 24 HA TYR 24 18.771 10.613 1.531 179 HB2 TYR 24 HB2 TYR 24 20.419 9.936 3.603 180 HB3 TYR 24 HB1 TYR 24 21.472 10.986 2.653 181 HD1 TYR 24 HD1 TYR 24 18.187 10.776 4.376 182 HD2 TYR 24 HD2 TYR 24 21.065 13.346 2.489 183 HE1 TYR 24 HE1 TYR 24 16.972 12.762 5.226 184 HE2 TYR 24 HE2 TYR 24 19.848 15.332 3.340 185 HH TYR 24 HH TYR 24 16.810 15.328 4.356 186 H CYS 25 H CYS 25 20.391 12.623 0.990 187 HA CYS 25 HA CYS 25 21.523 11.895 -1.631 188 HB2 CYS 25 HB2 CYS 25 20.559 14.547 -0.553 189 HB3 CYS 25 HB1 CYS 25 21.264 14.305 -2.154 190 H ASP 26 H ASP 26 23.457 12.946 -2.364 191 HA ASP 26 HA ASP 26 25.225 13.966 -0.238 192 HB2 ASP 26 HB2 ASP 26 25.556 11.459 -0.761 193 HB3 ASP 26 HB1 ASP 26 26.222 12.008 -2.298 194 H GLY 27 H GLY 27 27.003 15.234 -1.029 195 HA2 GLY 27 HA2 GLY 27 28.082 16.672 -2.480 196 HA3 GLY 27 HA1 GLY 27 27.270 15.861 -3.815 197 H PHE 28 H PHE 28 27.684 18.704 -3.490 198 HA PHE 28 HA PHE 28 25.009 19.754 -2.907 199 HB2 PHE 28 HB2 PHE 28 27.081 20.885 -2.033 200 HB3 PHE 28 HB1 PHE 28 27.496 21.280 -3.701 201 HD1 PHE 28 HD1 PHE 28 25.724 22.537 -5.103 202 HD2 PHE 28 HD2 PHE 28 25.612 22.264 -0.818 203 HE1 PHE 28 HE1 PHE 28 24.215 24.505 -5.018 204 HE2 PHE 28 HE2 PHE 28 24.103 24.232 -0.733 205 HZ PHE 28 HZ PHE 28 23.404 25.351 -2.832 206 H LEU 29 H LEU 29 27.151 19.059 -5.565 207 HA LEU 29 HA LEU 29 25.483 20.529 -7.468 208 HB2 LEU 29 HB2 LEU 29 28.148 19.171 -7.576 209 HB3 LEU 29 HB1 LEU 29 27.244 19.394 -9.075 210 HG LEU 29 HG LEU 29 27.601 21.694 -7.169 211 HD11 LEU 29 HD11 LEU 29 29.851 21.436 -7.456 212 HD12 LEU 29 HD12 LEU 29 29.527 22.137 -9.042 213 HD13 LEU 29 HD13 LEU 29 29.651 20.388 -8.860 214 HD21 LEU 29 HD21 LEU 29 26.929 22.981 -8.968 215 HD22 LEU 29 HD22 LEU 29 26.098 21.479 -9.373 216 HD23 LEU 29 HD23 LEU 29 27.628 21.878 -10.151 217 H LYS 30 H LYS 30 25.259 19.170 -9.651 218 HA LYS 30 HA LYS 30 23.306 17.194 -9.148 219 HB2 LYS 30 HB2 LYS 30 24.815 18.054 -11.606 220 HB3 LYS 30 HB1 LYS 30 23.703 16.685 -11.657 221 HG2 LYS 30 HG2 LYS 30 21.884 18.106 -10.814 222 HG3 LYS 30 HG1 LYS 30 22.989 19.477 -10.714 223 HD2 LYS 30 HD2 LYS 30 22.618 19.959 -12.879 224 HD3 LYS 30 HD1 LYS 30 23.183 18.355 -13.345 225 HE2 LYS 30 HE2 LYS 30 20.902 17.458 -12.829 226 HE3 LYS 30 HE1 LYS 30 20.361 19.109 -12.532 227 HZ1 LYS 30 HZ1 LYS 30 21.253 19.598 -14.839 228 HZ2 LYS 30 HZ2 LYS 30 19.822 18.685 -14.747 229 HZ3 LYS 30 HZ3 LYS 30 21.304 17.919 -15.068 230 H GLN 31 H GLN 31 24.490 15.798 -7.649 231 HA GLN 31 HA GLN 31 26.468 14.035 -8.934 232 HB2 GLN 31 HB2 GLN 31 25.844 14.775 -6.103 233 HB3 GLN 31 HB1 GLN 31 26.586 13.209 -6.431 234 HG2 GLN 31 HG2 GLN 31 27.795 15.495 -7.865 235 HG3 GLN 31 HG1 GLN 31 28.003 15.516 -6.114 236 HE21 GLN 31 HE21 GLN 31 28.299 13.194 -8.868 237 HE22 GLN 31 HE22 GLN 31 29.658 12.399 -8.230 238 H ARG 32 H ARG 32 24.462 13.126 -6.219 239 HA ARG 32 HA ARG 32 22.306 11.849 -7.168 240 HB2 ARG 32 HB2 ARG 32 23.252 10.625 -8.897 241 HB3 ARG 32 HB1 ARG 32 24.761 10.360 -8.023 242 HG2 ARG 32 HG2 ARG 32 23.814 8.677 -6.660 243 HG3 ARG 32 HG1 ARG 32 22.166 9.170 -7.046 244 HD2 ARG 32 HD2 ARG 32 22.829 7.086 -8.232 245 HD3 ARG 32 HD1 ARG 32 22.429 8.394 -9.342 246 HE ARG 32 HE ARG 32 24.682 8.498 -9.976 247 HH11 ARG 32 HH11 ARG 32 26.759 7.589 -10.067 248 HH12 ARG 32 HH12 ARG 32 27.224 6.385 -8.911 249 HH21 ARG 32 HH21 ARG 32 24.178 6.423 -7.253 250 HH22 ARG 32 HH22 ARG 32 25.762 5.725 -7.319 251 H CYS 33 H CYS 33 21.346 10.505 -5.655 252 HA CYS 33 HA CYS 33 22.506 10.529 -3.036 253 HB2 CYS 33 HB2 CYS 33 20.453 9.123 -2.485 254 HB3 CYS 33 HB1 CYS 33 20.138 10.727 -3.149 255 H VAL 34 H VAL 34 23.012 8.711 -1.735 256 HA VAL 34 HA VAL 34 23.702 6.267 -3.247 257 HB VAL 34 HB VAL 34 25.692 7.718 -2.694 258 HG11 VAL 34 HG11 VAL 34 26.147 8.358 -0.558 259 HG12 VAL 34 HG12 VAL 34 25.619 6.816 0.118 260 HG13 VAL 34 HG13 VAL 34 24.431 8.055 -0.290 261 HG21 VAL 34 HG21 VAL 34 25.255 4.884 -2.006 262 HG22 VAL 34 HG22 VAL 34 26.662 5.604 -1.223 263 HG23 VAL 34 HG23 VAL 34 26.527 5.619 -2.982 264 H CYS 35 H CYS 35 21.420 5.934 -2.300 265 HA CYS 35 HA CYS 35 20.415 5.632 0.063 266 HB2 CYS 35 HB2 CYS 35 20.147 3.006 -0.614 267 HB3 CYS 35 HB1 CYS 35 19.184 4.317 -1.302 268 H TYR 36 H TYR 36 20.695 4.688 2.023 269 HA TYR 36 HA TYR 36 23.049 4.324 3.215 270 HB2 TYR 36 HB2 TYR 36 21.006 4.117 4.479 271 HB3 TYR 36 HB1 TYR 36 20.589 2.617 3.643 272 HD1 TYR 36 HD1 TYR 36 20.844 0.758 5.015 273 HD2 TYR 36 HD2 TYR 36 23.708 3.949 5.268 274 HE1 TYR 36 HE1 TYR 36 22.141 -0.538 6.685 275 HE2 TYR 36 HE2 TYR 36 25.006 2.653 6.936 276 HH TYR 36 HH TYR 36 24.436 0.778 8.649 277 H ARG 37 H ARG 37 21.548 1.201 2.951 278 HA ARG 37 HA ARG 37 23.725 -0.368 2.802 279 HB2 ARG 37 HB2 ARG 37 21.238 -0.768 1.123 280 HB3 ARG 37 HB1 ARG 37 22.405 -2.019 1.548 281 HG2 ARG 37 HG2 ARG 37 21.054 -2.386 3.335 282 HG3 ARG 37 HG1 ARG 37 21.821 -0.948 4.008 283 HD2 ARG 37 HD2 ARG 37 20.039 0.446 2.964 284 HD3 ARG 37 HD1 ARG 37 19.255 -1.027 2.400 285 HE ARG 37 HE ARG 37 19.186 0.034 5.076 286 HH11 ARG 37 HH11 ARG 37 18.024 -1.179 6.604 287 HH12 ARG 37 HH12 ARG 37 17.607 -2.826 6.261 288 HH21 ARG 37 HH21 ARG 37 19.109 -2.832 3.135 289 HH22 ARG 37 HH22 ARG 37 18.221 -3.761 4.296 290 H LYS 38 H LYS 38 25.506 0.356 1.718 291 HA LYS 38 HA LYS 38 25.489 1.395 -0.920 292 HB2 LYS 38 HB2 LYS 38 27.307 1.678 0.837 293 HB3 LYS 38 HB1 LYS 38 27.827 0.043 0.428 294 HG2 LYS 38 HG2 LYS 38 28.998 0.895 -1.293 295 HG3 LYS 38 HG1 LYS 38 27.475 1.390 -2.034 296 HD2 LYS 38 HD2 LYS 38 27.550 3.529 -0.893 297 HD3 LYS 38 HD1 LYS 38 28.968 3.031 0.032 298 HE2 LYS 38 HE2 LYS 38 29.639 2.599 -2.670 299 HE3 LYS 38 HE1 LYS 38 28.843 4.172 -2.624 300 HZ1 LYS 38 HZ1 LYS 38 30.369 4.974 -1.069 301 HZ2 LYS 38 HZ2 LYS 38 31.321 4.125 -2.190 302 HZ3 LYS 38 HZ3 LYS 38 30.948 3.427 -0.686 Start of MODEL 13 1 H1 GLY 1 H1 GLY 1 22.654 16.259 -3.645 2 HA2 GLY 1 HA2 GLY 1 21.525 17.996 -5.766 3 HA3 GLY 1 HA1 GLY 1 23.134 17.286 -5.842 4 H PHE 2 H PHE 2 20.974 17.011 -7.761 5 HA PHE 2 HA PHE 2 20.132 15.355 -9.116 6 HB2 PHE 2 HB2 PHE 2 22.394 14.285 -8.528 7 HB3 PHE 2 HB1 PHE 2 21.490 13.324 -7.356 8 HD1 PHE 2 HD1 PHE 2 21.060 14.459 -10.910 9 HD2 PHE 2 HD2 PHE 2 20.809 11.226 -8.094 10 HE1 PHE 2 HE1 PHE 2 20.328 12.937 -12.725 11 HE2 PHE 2 HE2 PHE 2 20.078 9.702 -9.909 12 HZ PHE 2 HZ PHE 2 19.836 10.557 -12.224 13 H GLY 3 H GLY 3 19.830 15.183 -5.679 14 HA2 GLY 3 HA2 GLY 3 17.093 14.189 -5.985 15 HA3 GLY 3 HA1 GLY 3 18.175 13.271 -4.951 16 H CYS 4 H CYS 4 17.465 13.637 -2.981 17 HA CYS 4 HA CYS 4 16.060 15.533 -1.802 18 HB2 CYS 4 HB2 CYS 4 16.763 14.645 0.148 19 HB3 CYS 4 HB1 CYS 4 17.664 13.540 -0.868 20 HA PRO 5 HA PRO 5 15.875 16.641 0.002 21 HB2 PRO 5 HB2 PRO 5 15.033 19.082 0.779 22 HB3 PRO 5 HB1 PRO 5 16.496 18.341 1.457 23 HG2 PRO 5 HG2 PRO 5 16.227 20.523 -0.521 24 HG3 PRO 5 HG1 PRO 5 17.490 20.234 0.687 25 HD2 PRO 5 HD2 PRO 5 17.635 19.617 -2.078 26 HD3 PRO 5 HD1 PRO 5 18.775 19.102 -0.817 27 H PHE 6 H PHE 6 16.020 18.181 -2.929 28 HA PHE 6 HA PHE 6 13.326 19.066 -3.273 29 HB2 PHE 6 HB2 PHE 6 15.496 18.413 -5.276 30 HB3 PHE 6 HB1 PHE 6 13.956 19.172 -5.680 31 HD1 PHE 6 HD1 PHE 6 17.309 19.724 -4.536 32 HD2 PHE 6 HD2 PHE 6 13.331 21.341 -4.420 33 HE1 PHE 6 HE1 PHE 6 18.227 21.938 -3.897 34 HE2 PHE 6 HE2 PHE 6 14.249 23.554 -3.782 35 HZ PHE 6 HZ PHE 6 16.697 23.853 -3.520 36 H ASN 7 H ASN 7 14.961 16.496 -5.133 37 HA ASN 7 HA ASN 7 12.397 15.028 -5.145 38 HB2 ASN 7 HB2 ASN 7 13.373 13.888 -7.172 39 HB3 ASN 7 HB1 ASN 7 13.063 15.612 -7.370 40 HD21 ASN 7 HD21 ASN 7 15.192 13.655 -8.557 41 HD22 ASN 7 HD22 ASN 7 16.650 14.495 -8.333 42 H GLN 8 H GLN 8 13.132 14.292 -2.939 43 HA GLN 8 HA GLN 8 15.347 12.513 -2.688 44 HB2 GLN 8 HB2 GLN 8 14.250 13.719 -0.782 45 HB3 GLN 8 HB1 GLN 8 12.865 12.641 -0.961 46 HG2 GLN 8 HG2 GLN 8 14.047 10.774 -0.237 47 HG3 GLN 8 HG1 GLN 8 15.605 11.451 -0.711 48 HE21 GLN 8 HE21 GLN 8 15.089 10.368 1.931 49 HE22 GLN 8 HE22 GLN 8 15.208 11.649 3.037 50 H GLY 9 H GLY 9 12.058 12.168 -3.747 51 HA2 GLY 9 HA2 GLY 9 11.784 9.363 -3.386 52 HA3 GLY 9 HA1 GLY 9 10.842 10.357 -4.489 53 H LYS 10 H LYS 10 12.753 11.334 -6.199 54 HA LYS 10 HA LYS 10 13.079 9.305 -8.063 55 HB2 LYS 10 HB2 LYS 10 13.338 11.821 -8.409 56 HB3 LYS 10 HB1 LYS 10 14.977 11.639 -7.796 57 HG2 LYS 10 HG2 LYS 10 14.208 9.708 -9.897 58 HG3 LYS 10 HG1 LYS 10 14.316 11.390 -10.411 59 HD2 LYS 10 HD2 LYS 10 16.587 11.522 -9.379 60 HD3 LYS 10 HD1 LYS 10 16.485 9.799 -9.019 61 HE2 LYS 10 HE2 LYS 10 16.993 11.151 -11.587 62 HE3 LYS 10 HE1 LYS 10 17.429 9.524 -11.067 63 HZ1 LYS 10 HZ1 LYS 10 15.841 9.341 -12.807 64 HZ2 LYS 10 HZ2 LYS 10 14.788 10.443 -12.057 65 HZ3 LYS 10 HZ3 LYS 10 15.056 8.915 -11.366 66 H CYS 11 H CYS 11 14.923 10.037 -5.244 67 HA CYS 11 HA CYS 11 17.029 8.138 -6.062 68 HB2 CYS 11 HB2 CYS 11 16.992 10.322 -3.973 69 HB3 CYS 11 HB1 CYS 11 18.288 9.133 -4.111 70 H HIS 12 H HIS 12 14.480 8.742 -3.746 71 HA HIS 12 HA HIS 12 15.340 6.526 -2.043 72 HB2 HIS 12 HB2 HIS 12 14.276 8.738 -1.222 73 HB3 HIS 12 HB1 HIS 12 12.751 8.034 -1.759 74 HD1 HIS 12 HD1 HIS 12 12.442 5.408 -0.811 75 HD2 HIS 12 HD2 HIS 12 14.877 7.997 1.367 76 HE1 HIS 12 HE1 HIS 12 12.657 4.409 1.505 77 HE2 HIS 12 HE2 HIS 12 14.139 5.976 2.847 78 H ARG 13 H ARG 13 13.229 7.130 -4.686 79 HA ARG 13 HA ARG 13 11.648 4.715 -4.206 80 HB2 ARG 13 HB2 ARG 13 11.513 6.844 -6.353 81 HB3 ARG 13 HB1 ARG 13 10.467 5.425 -6.307 82 HG2 ARG 13 HG2 ARG 13 10.501 6.696 -3.714 83 HG3 ARG 13 HG1 ARG 13 10.080 7.878 -4.953 84 HD2 ARG 13 HD2 ARG 13 8.368 6.289 -5.827 85 HD3 ARG 13 HD1 ARG 13 8.740 5.198 -4.497 86 HE ARG 13 HE ARG 13 8.085 7.214 -3.038 87 HH11 ARG 13 HH11 ARG 13 6.107 8.243 -2.640 88 HH12 ARG 13 HH12 ARG 13 4.889 8.282 -3.871 89 HH21 ARG 13 HH21 ARG 13 6.774 6.515 -6.178 90 HH22 ARG 13 HH22 ARG 13 5.267 7.308 -5.867 91 H HIS 14 H HIS 14 14.236 5.937 -6.205 92 HA HIS 14 HA HIS 14 14.221 3.912 -8.190 93 HB2 HIS 14 HB2 HIS 14 15.431 6.044 -8.455 94 HB3 HIS 14 HB1 HIS 14 16.538 5.568 -7.165 95 HD1 HIS 14 HD1 HIS 14 16.089 5.349 -10.763 96 HD2 HIS 14 HD2 HIS 14 17.985 3.029 -7.864 97 HE1 HIS 14 HE1 HIS 14 17.699 3.834 -11.999 98 HE2 HIS 14 HE2 HIS 14 18.864 2.413 -10.245 99 H CYS 15 H CYS 15 16.233 4.298 -5.258 100 HA CYS 15 HA CYS 15 17.438 1.721 -5.519 101 HB2 CYS 15 HB2 CYS 15 18.002 3.951 -4.044 102 HB3 CYS 15 HB1 CYS 15 17.317 2.882 -2.816 103 H ARG 16 H ARG 16 14.742 3.011 -3.615 104 HA ARG 16 HA ARG 16 14.101 0.967 -1.942 105 HB2 ARG 16 HB2 ARG 16 12.665 2.839 -1.917 106 HB3 ARG 16 HB1 ARG 16 12.325 2.709 -3.643 107 HG2 ARG 16 HG2 ARG 16 10.937 0.822 -3.352 108 HG3 ARG 16 HG1 ARG 16 11.577 0.492 -1.740 109 HD2 ARG 16 HD2 ARG 16 10.494 2.458 -0.839 110 HD3 ARG 16 HD1 ARG 16 10.005 2.982 -2.447 111 HE ARG 16 HE ARG 16 8.233 1.483 -2.338 112 HH11 ARG 16 HH11 ARG 16 6.963 -0.081 -1.292 113 HH12 ARG 16 HH12 ARG 16 7.580 -0.899 0.104 114 HH21 ARG 16 HH21 ARG 16 10.611 0.789 0.079 115 HH22 ARG 16 HH22 ARG 16 9.645 -0.406 0.882 116 H SER 17 H SER 17 13.503 1.088 -5.433 117 HA SER 17 HA SER 17 12.033 -1.311 -5.641 118 HB2 SER 17 HB2 SER 17 11.934 -0.648 -7.779 119 HB3 SER 17 HB1 SER 17 13.061 0.652 -7.403 120 HG SER 17 HG SER 17 14.113 -0.508 -8.900 121 H ILE 18 H ILE 18 15.510 -0.640 -5.767 122 HA ILE 18 HA ILE 18 16.258 -3.337 -6.374 123 HB ILE 18 HB ILE 18 18.068 -1.362 -5.004 124 HG12 ILE 18 HG12 ILE 18 16.721 -0.251 -6.870 125 HG13 ILE 18 HG11 ILE 18 18.471 -0.233 -7.080 126 HG21 ILE 18 HG21 ILE 18 18.352 -3.619 -6.992 127 HG22 ILE 18 HG22 ILE 18 19.109 -3.458 -5.407 128 HG23 ILE 18 HG23 ILE 18 19.637 -2.437 -6.744 129 HD11 ILE 18 HD11 ILE 18 18.347 -1.477 -8.957 130 HD12 ILE 18 HD12 ILE 18 16.606 -1.198 -8.918 131 HD13 ILE 18 HD13 ILE 18 17.282 -2.653 -8.189 132 H ARG 19 H ARG 19 14.458 -2.836 -4.040 133 HA ARG 19 HA ARG 19 14.070 -3.860 -2.028 134 HB2 ARG 19 HB2 ARG 19 16.198 -5.401 -3.220 135 HB3 ARG 19 HB1 ARG 19 16.415 -5.307 -1.476 136 HG2 ARG 19 HG2 ARG 19 13.955 -5.930 -1.257 137 HG3 ARG 19 HG1 ARG 19 13.987 -6.299 -2.981 138 HD2 ARG 19 HD2 ARG 19 16.083 -7.481 -1.193 139 HD3 ARG 19 HD1 ARG 19 14.474 -8.198 -1.219 140 HE ARG 19 HE ARG 19 15.181 -7.953 -3.871 141 HH11 ARG 19 HH11 ARG 19 16.216 -9.631 -5.002 142 HH12 ARG 19 HH12 ARG 19 17.135 -10.814 -4.133 143 HH21 ARG 19 HH21 ARG 19 16.509 -9.406 -1.028 144 HH22 ARG 19 HH22 ARG 19 17.299 -10.687 -1.883 145 H ARG 20 H ARG 20 15.823 -1.351 -2.435 146 HA ARG 20 HA ARG 20 17.448 -1.369 -0.018 147 HB2 ARG 20 HB2 ARG 20 17.303 0.213 -2.429 148 HB3 ARG 20 HB1 ARG 20 17.247 1.261 -1.014 149 HG2 ARG 20 HG2 ARG 20 19.561 0.990 -1.444 150 HG3 ARG 20 HG1 ARG 20 19.233 -0.141 -0.132 151 HD2 ARG 20 HD2 ARG 20 18.899 -1.938 -1.862 152 HD3 ARG 20 HD1 ARG 20 19.438 -0.790 -3.084 153 HE ARG 20 HE ARG 20 21.397 -0.854 -1.088 154 HH11 ARG 20 HH11 ARG 20 23.249 -2.146 -1.362 155 HH12 ARG 20 HH12 ARG 20 23.209 -3.483 -2.463 156 HH21 ARG 20 HH21 ARG 20 19.914 -2.951 -3.405 157 HH22 ARG 20 HH22 ARG 20 21.320 -3.940 -3.618 158 H ARG 21 H ARG 21 17.175 0.356 1.619 159 HA ARG 21 HA ARG 21 14.501 1.497 1.868 160 HB2 ARG 21 HB2 ARG 21 15.494 -0.788 3.498 161 HB3 ARG 21 HB1 ARG 21 14.596 0.480 4.334 162 HG2 ARG 21 HG2 ARG 21 12.796 0.254 2.588 163 HG3 ARG 21 HG1 ARG 21 13.663 -1.145 1.955 164 HD2 ARG 21 HD2 ARG 21 13.481 -1.543 4.745 165 HD3 ARG 21 HD1 ARG 21 11.890 -0.991 4.230 166 HE ARG 21 HE ARG 21 13.089 -3.112 2.621 167 HH11 ARG 21 HH11 ARG 21 11.882 -5.032 2.569 168 HH12 ARG 21 HH12 ARG 21 10.565 -5.253 3.672 169 HH21 ARG 21 HH21 ARG 21 10.981 -2.165 5.197 170 HH22 ARG 21 HH22 ARG 21 10.056 -3.629 5.162 171 H GLY 22 H GLY 22 16.286 3.226 1.511 172 HA2 GLY 22 HA2 GLY 22 16.471 4.994 3.505 173 HA3 GLY 22 HA1 GLY 22 17.788 3.900 3.919 174 H GLY 23 H GLY 23 17.889 6.729 3.101 175 HA2 GLY 23 HA2 GLY 23 20.154 6.642 1.441 176 HA3 GLY 23 HA1 GLY 23 18.758 7.034 0.442 177 H TYR 24 H TYR 24 20.596 8.905 0.461 178 HA TYR 24 HA TYR 24 19.285 11.182 1.529 179 HB2 TYR 24 HB2 TYR 24 20.699 9.968 3.492 180 HB3 TYR 24 HB1 TYR 24 21.952 11.002 2.803 181 HD1 TYR 24 HD1 TYR 24 21.836 13.407 2.967 182 HD2 TYR 24 HD2 TYR 24 18.600 10.958 4.374 183 HE1 TYR 24 HE1 TYR 24 20.830 15.378 4.084 184 HE2 TYR 24 HE2 TYR 24 17.596 12.929 5.494 185 HH TYR 24 HH TYR 24 17.940 15.755 4.875 186 H CYS 25 H CYS 25 19.528 12.047 -0.496 187 HA CYS 25 HA CYS 25 21.572 11.982 -2.263 188 HB2 CYS 25 HB2 CYS 25 20.652 13.843 -3.262 189 HB3 CYS 25 HB1 CYS 25 19.319 13.359 -2.225 190 H ASP 26 H ASP 26 23.578 12.871 -2.546 191 HA ASP 26 HA ASP 26 24.758 14.160 -0.177 192 HB2 ASP 26 HB2 ASP 26 26.310 13.143 -2.543 193 HB3 ASP 26 HB1 ASP 26 26.836 13.332 -0.870 194 H GLY 27 H GLY 27 26.120 15.993 -0.397 195 HA2 GLY 27 HA2 GLY 27 26.736 18.057 -1.211 196 HA3 GLY 27 HA1 GLY 27 26.548 17.380 -2.827 197 H PHE 28 H PHE 28 25.665 19.452 -3.460 198 HA PHE 28 HA PHE 28 22.817 19.709 -2.708 199 HB2 PHE 28 HB2 PHE 28 24.355 21.493 -1.727 200 HB3 PHE 28 HB1 PHE 28 24.598 22.049 -3.383 201 HD1 PHE 28 HD1 PHE 28 22.514 22.629 -4.777 202 HD2 PHE 28 HD2 PHE 28 22.440 22.137 -0.510 203 HE1 PHE 28 HE1 PHE 28 20.385 23.896 -4.668 204 HE2 PHE 28 HE2 PHE 28 20.311 23.405 -0.401 205 HZ PHE 28 HZ PHE 28 19.284 24.286 -2.479 206 H LEU 29 H LEU 29 25.319 20.045 -5.151 207 HA LEU 29 HA LEU 29 23.305 20.579 -7.222 208 HB2 LEU 29 HB2 LEU 29 26.228 20.987 -6.959 209 HB3 LEU 29 HB1 LEU 29 25.648 20.548 -8.565 210 HG LEU 29 HG LEU 29 24.126 22.640 -7.077 211 HD11 LEU 29 HD11 LEU 29 26.693 23.260 -8.562 212 HD12 LEU 29 HD12 LEU 29 26.587 23.179 -6.803 213 HD13 LEU 29 HD13 LEU 29 25.662 24.392 -7.688 214 HD21 LEU 29 HD21 LEU 29 25.023 22.547 -9.964 215 HD22 LEU 29 HD22 LEU 29 23.657 23.428 -9.277 216 HD23 LEU 29 HD23 LEU 29 23.600 21.670 -9.399 217 H LYS 30 H LYS 30 23.000 19.234 -8.989 218 HA LYS 30 HA LYS 30 22.707 16.608 -8.819 219 HB2 LYS 30 HB2 LYS 30 24.116 17.476 -11.309 220 HB3 LYS 30 HB1 LYS 30 22.678 16.471 -11.124 221 HG2 LYS 30 HG2 LYS 30 22.868 19.474 -10.774 222 HG3 LYS 30 HG1 LYS 30 21.964 18.597 -12.010 223 HD2 LYS 30 HD2 LYS 30 20.809 17.471 -9.910 224 HD3 LYS 30 HD1 LYS 30 21.345 18.941 -9.097 225 HE2 LYS 30 HE2 LYS 30 19.845 19.043 -11.715 226 HE3 LYS 30 HE1 LYS 30 19.005 18.989 -10.166 227 HZ1 LYS 30 HZ1 LYS 30 19.583 21.081 -9.686 228 HZ2 LYS 30 HZ2 LYS 30 19.850 21.237 -11.356 229 HZ3 LYS 30 HZ3 LYS 30 21.152 20.916 -10.311 230 H GLN 31 H GLN 31 24.252 15.801 -7.298 231 HA GLN 31 HA GLN 31 26.993 15.445 -8.297 232 HB2 GLN 31 HB2 GLN 31 25.723 15.541 -5.645 233 HB3 GLN 31 HB1 GLN 31 26.940 14.276 -5.823 234 HG2 GLN 31 HG2 GLN 31 27.388 17.173 -6.590 235 HG3 GLN 31 HG1 GLN 31 27.877 16.476 -5.047 236 HE21 GLN 31 HE21 GLN 31 28.303 13.885 -6.910 237 HE22 GLN 31 HE22 GLN 31 29.880 14.144 -7.483 238 H ARG 32 H ARG 32 25.207 13.253 -6.190 239 HA ARG 32 HA ARG 32 24.622 11.261 -8.102 240 HB2 ARG 32 HB2 ARG 32 27.175 11.261 -8.145 241 HB3 ARG 32 HB1 ARG 32 27.098 10.609 -6.508 242 HG2 ARG 32 HG2 ARG 32 27.228 8.709 -7.949 243 HG3 ARG 32 HG1 ARG 32 25.541 8.812 -7.446 244 HD2 ARG 32 HD2 ARG 32 24.889 9.010 -9.586 245 HD3 ARG 32 HD1 ARG 32 25.898 10.440 -9.779 246 HE ARG 32 HE ARG 32 27.291 9.104 -11.039 247 HH11 ARG 32 HH11 ARG 32 28.270 7.154 -11.670 248 HH12 ARG 32 HH12 ARG 32 27.896 5.690 -10.823 249 HH21 ARG 32 HH21 ARG 32 25.685 7.211 -8.628 250 HH22 ARG 32 HH22 ARG 32 26.429 5.722 -9.103 251 H CYS 33 H CYS 33 22.902 10.438 -7.117 252 HA CYS 33 HA CYS 33 22.527 10.434 -4.295 253 HB2 CYS 33 HB2 CYS 33 21.057 9.346 -6.657 254 HB3 CYS 33 HB1 CYS 33 20.638 8.739 -5.055 255 H VAL 34 H VAL 34 22.556 8.723 -2.829 256 HA VAL 34 HA VAL 34 23.501 6.106 -3.718 257 HB VAL 34 HB VAL 34 25.089 7.942 -1.923 258 HG11 VAL 34 HG11 VAL 34 25.118 5.959 -0.663 259 HG12 VAL 34 HG12 VAL 34 26.538 5.785 -1.695 260 HG13 VAL 34 HG13 VAL 34 25.045 4.935 -2.096 261 HG21 VAL 34 HG21 VAL 34 26.896 6.887 -3.511 262 HG22 VAL 34 HG22 VAL 34 25.858 8.176 -4.121 263 HG23 VAL 34 HG23 VAL 34 25.509 6.494 -4.526 264 H CYS 35 H CYS 35 21.536 5.283 -2.943 265 HA CYS 35 HA CYS 35 20.198 5.795 -0.628 266 HB2 CYS 35 HB2 CYS 35 20.072 3.030 -0.768 267 HB3 CYS 35 HB1 CYS 35 19.016 4.164 -1.614 268 H TYR 36 H TYR 36 20.169 4.841 1.479 269 HA TYR 36 HA TYR 36 22.406 4.987 2.979 270 HB2 TYR 36 HB2 TYR 36 20.222 4.643 3.986 271 HB3 TYR 36 HB1 TYR 36 20.158 2.995 3.354 272 HD1 TYR 36 HD1 TYR 36 20.661 1.319 4.880 273 HD2 TYR 36 HD2 TYR 36 22.607 5.131 5.251 274 HE1 TYR 36 HE1 TYR 36 21.882 0.502 6.877 275 HE2 TYR 36 HE2 TYR 36 23.827 4.313 7.248 276 HH TYR 36 HH TYR 36 23.001 1.381 8.833 277 H ARG 37 H ARG 37 21.168 1.740 2.170 278 HA ARG 37 HA ARG 37 23.539 0.382 2.730 279 HB2 ARG 37 HB2 ARG 37 21.286 -0.321 0.839 280 HB3 ARG 37 HB1 ARG 37 22.571 -1.438 1.304 281 HG2 ARG 37 HG2 ARG 37 21.216 -1.985 3.038 282 HG3 ARG 37 HG1 ARG 37 21.746 -0.459 3.743 283 HD2 ARG 37 HD2 ARG 37 19.832 0.626 2.416 284 HD3 ARG 37 HD1 ARG 37 19.231 -1.009 2.165 285 HE ARG 37 HE ARG 37 19.074 0.509 4.596 286 HH11 ARG 37 HH11 ARG 37 18.152 -0.543 6.386 287 HH12 ARG 37 HH12 ARG 37 17.995 -2.268 6.384 288 HH21 ARG 37 HH21 ARG 37 19.406 -2.658 3.242 289 HH22 ARG 37 HH22 ARG 37 18.703 -3.465 4.604 290 H LYS 38 H LYS 38 25.461 0.664 1.824 291 HA LYS 38 HA LYS 38 26.154 2.032 -0.428 292 HB2 LYS 38 HB2 LYS 38 27.683 0.933 1.311 293 HB3 LYS 38 HB1 LYS 38 27.567 -0.525 0.325 294 HG2 LYS 38 HG2 LYS 38 29.510 0.596 -0.465 295 HG3 LYS 38 HG1 LYS 38 28.260 0.956 -1.657 296 HD2 LYS 38 HD2 LYS 38 27.993 3.157 -0.908 297 HD3 LYS 38 HD1 LYS 38 28.672 2.800 0.681 298 HE2 LYS 38 HE2 LYS 38 30.050 3.989 -1.388 299 HE3 LYS 38 HE1 LYS 38 30.798 3.165 -0.019 300 HZ1 LYS 38 HZ1 LYS 38 30.988 1.184 -1.243 301 HZ2 LYS 38 HZ2 LYS 38 31.514 2.411 -2.293 302 HZ3 LYS 38 HZ3 LYS 38 29.965 1.739 -2.477 Start of MODEL 14 1 H1 GLY 1 H1 GLY 1 22.110 18.445 -3.693 2 HA2 GLY 1 HA2 GLY 1 20.579 19.781 -5.766 3 HA3 GLY 1 HA1 GLY 1 22.225 19.169 -5.911 4 H PHE 2 H PHE 2 20.635 18.740 -8.017 5 HA PHE 2 HA PHE 2 19.857 17.105 -9.427 6 HB2 PHE 2 HB2 PHE 2 21.838 15.870 -9.011 7 HB3 PHE 2 HB1 PHE 2 21.308 15.429 -7.387 8 HD1 PHE 2 HD1 PHE 2 19.674 15.337 -10.762 9 HD2 PHE 2 HD2 PHE 2 20.837 13.149 -7.254 10 HE1 PHE 2 HE1 PHE 2 18.582 13.304 -11.669 11 HE2 PHE 2 HE2 PHE 2 19.746 11.115 -8.162 12 HZ PHE 2 HZ PHE 2 18.618 11.193 -10.369 13 H GLY 3 H GLY 3 19.510 15.567 -6.242 14 HA2 GLY 3 HA2 GLY 3 16.593 15.439 -6.720 15 HA3 GLY 3 HA1 GLY 3 17.500 14.074 -6.091 16 H CYS 4 H CYS 4 16.809 13.840 -4.070 17 HA CYS 4 HA CYS 4 15.648 15.312 -2.249 18 HB2 CYS 4 HB2 CYS 4 17.814 14.385 -0.725 19 HB3 CYS 4 HB1 CYS 4 16.283 13.557 -1.009 20 HA PRO 5 HA PRO 5 15.590 15.927 -0.157 21 HB2 PRO 5 HB2 PRO 5 14.703 18.224 0.982 22 HB3 PRO 5 HB1 PRO 5 16.121 17.347 1.586 23 HG2 PRO 5 HG2 PRO 5 15.983 19.806 -0.072 24 HG3 PRO 5 HG1 PRO 5 17.122 19.367 1.210 25 HD2 PRO 5 HD2 PRO 5 17.659 19.170 -1.513 26 HD3 PRO 5 HD1 PRO 5 18.523 18.276 -0.244 27 H PHE 6 H PHE 6 15.663 17.520 -2.954 28 HA PHE 6 HA PHE 6 13.036 18.652 -3.140 29 HB2 PHE 6 HB2 PHE 6 15.066 17.840 -5.227 30 HB3 PHE 6 HB1 PHE 6 13.532 18.621 -5.611 31 HD1 PHE 6 HD1 PHE 6 16.559 19.029 -3.440 32 HD2 PHE 6 HD2 PHE 6 13.373 20.959 -5.579 33 HE1 PHE 6 HE1 PHE 6 17.554 21.242 -2.926 34 HE2 PHE 6 HE2 PHE 6 14.368 23.171 -5.065 35 HZ PHE 6 HZ PHE 6 16.459 23.312 -3.738 36 H ASN 7 H ASN 7 14.160 16.171 -5.374 37 HA ASN 7 HA ASN 7 11.572 14.809 -5.067 38 HB2 ASN 7 HB2 ASN 7 12.196 13.694 -7.207 39 HB3 ASN 7 HB1 ASN 7 12.121 15.451 -7.336 40 HD21 ASN 7 HD21 ASN 7 14.425 12.731 -6.981 41 HD22 ASN 7 HD22 ASN 7 15.752 13.571 -7.626 42 H GLN 8 H GLN 8 12.750 14.130 -2.914 43 HA GLN 8 HA GLN 8 14.766 12.191 -2.889 44 HB2 GLN 8 HB2 GLN 8 13.775 13.374 -0.890 45 HB3 GLN 8 HB1 GLN 8 12.399 12.277 -1.011 46 HG2 GLN 8 HG2 GLN 8 13.580 10.497 -0.223 47 HG3 GLN 8 HG1 GLN 8 15.049 10.971 -1.075 48 HE21 GLN 8 HE21 GLN 8 16.639 11.225 0.508 49 HE22 GLN 8 HE22 GLN 8 16.432 12.097 1.950 50 H GLY 9 H GLY 9 11.343 11.939 -3.575 51 HA2 GLY 9 HA2 GLY 9 10.960 9.184 -3.316 52 HA3 GLY 9 HA1 GLY 9 10.077 10.220 -4.428 53 H LYS 10 H LYS 10 12.080 11.064 -6.130 54 HA LYS 10 HA LYS 10 12.295 8.897 -7.908 55 HB2 LYS 10 HB2 LYS 10 12.515 11.483 -8.306 56 HB3 LYS 10 HB1 LYS 10 14.227 11.190 -8.009 57 HG2 LYS 10 HG2 LYS 10 12.651 9.524 -9.975 58 HG3 LYS 10 HG1 LYS 10 13.427 11.033 -10.452 59 HD2 LYS 10 HD2 LYS 10 15.407 9.672 -9.025 60 HD3 LYS 10 HD1 LYS 10 14.621 8.416 -9.980 61 HE2 LYS 10 HE2 LYS 10 14.958 9.684 -12.025 62 HE3 LYS 10 HE1 LYS 10 15.598 11.051 -11.113 63 HZ1 LYS 10 HZ1 LYS 10 16.816 8.346 -11.111 64 HZ2 LYS 10 HZ2 LYS 10 17.465 9.765 -10.438 65 HZ3 LYS 10 HZ3 LYS 10 17.321 9.609 -12.124 66 H CYS 11 H CYS 11 14.290 9.961 -5.280 67 HA CYS 11 HA CYS 11 16.417 8.066 -6.039 68 HB2 CYS 11 HB2 CYS 11 16.318 10.394 -4.118 69 HB3 CYS 11 HB1 CYS 11 17.602 9.189 -4.045 70 H HIS 12 H HIS 12 13.716 8.464 -3.984 71 HA HIS 12 HA HIS 12 14.700 6.487 -2.048 72 HB2 HIS 12 HB2 HIS 12 13.413 8.648 -1.429 73 HB3 HIS 12 HB1 HIS 12 11.982 7.772 -1.975 74 HD1 HIS 12 HD1 HIS 12 12.148 5.069 -0.911 75 HD2 HIS 12 HD2 HIS 12 13.687 8.264 1.281 76 HE1 HIS 12 HE1 HIS 12 12.285 4.288 1.495 77 HE2 HIS 12 HE2 HIS 12 13.222 6.224 2.844 78 H ARG 13 H ARG 13 12.037 6.961 -4.357 79 HA ARG 13 HA ARG 13 10.784 4.471 -3.910 80 HB2 ARG 13 HB2 ARG 13 9.433 4.991 -5.735 81 HB3 ARG 13 HB1 ARG 13 9.958 6.588 -5.205 82 HG2 ARG 13 HG2 ARG 13 11.839 6.446 -6.869 83 HG3 ARG 13 HG1 ARG 13 11.122 4.953 -7.472 84 HD2 ARG 13 HD2 ARG 13 9.144 6.070 -8.188 85 HD3 ARG 13 HD1 ARG 13 9.549 7.523 -7.280 86 HE ARG 13 HE ARG 13 11.552 6.931 -9.237 87 HH11 ARG 13 HH11 ARG 13 11.624 8.280 -11.070 88 HH12 ARG 13 HH12 ARG 13 10.260 9.277 -11.457 89 HH21 ARG 13 HH21 ARG 13 8.370 8.202 -8.756 90 HH22 ARG 13 HH22 ARG 13 8.419 9.230 -10.149 91 H HIS 14 H HIS 14 13.357 5.475 -6.123 92 HA HIS 14 HA HIS 14 13.490 3.071 -7.610 93 HB2 HIS 14 HB2 HIS 14 14.642 4.864 -8.577 94 HB3 HIS 14 HB1 HIS 14 15.432 5.299 -7.057 95 HD1 HIS 14 HD1 HIS 14 15.282 1.816 -8.548 96 HD2 HIS 14 HD2 HIS 14 18.088 4.803 -7.785 97 HE1 HIS 14 HE1 HIS 14 17.553 0.807 -9.038 98 HE2 HIS 14 HE2 HIS 14 19.275 2.617 -8.579 99 H CYS 15 H CYS 15 15.690 4.212 -5.031 100 HA CYS 15 HA CYS 15 17.003 1.767 -4.662 101 HB2 CYS 15 HB2 CYS 15 18.232 3.185 -3.487 102 HB3 CYS 15 HB1 CYS 15 16.938 4.375 -3.441 103 H ARG 16 H ARG 16 14.232 3.144 -2.865 104 HA ARG 16 HA ARG 16 13.880 1.111 -1.007 105 HB2 ARG 16 HB2 ARG 16 12.552 3.147 -0.928 106 HB3 ARG 16 HB1 ARG 16 11.765 2.729 -2.451 107 HG2 ARG 16 HG2 ARG 16 10.658 0.848 -1.478 108 HG3 ARG 16 HG1 ARG 16 11.657 0.922 -0.026 109 HD2 ARG 16 HD2 ARG 16 10.013 2.160 0.898 110 HD3 ARG 16 HD1 ARG 16 10.516 3.459 -0.178 111 HE ARG 16 HE ARG 16 8.485 3.168 -1.228 112 HH11 ARG 16 HH11 ARG 16 6.688 1.993 -1.959 113 HH12 ARG 16 HH12 ARG 16 6.571 0.298 -1.620 114 HH21 ARG 16 HH21 ARG 16 9.579 0.163 0.098 115 HH22 ARG 16 HH22 ARG 16 8.208 -0.739 -0.457 116 H SER 17 H SER 17 13.158 1.157 -4.426 117 HA SER 17 HA SER 17 11.520 -1.212 -4.398 118 HB2 SER 17 HB2 SER 17 11.008 -0.001 -6.272 119 HB3 SER 17 HB1 SER 17 12.647 0.615 -6.454 120 HG SER 17 HG SER 17 12.659 -2.043 -6.732 121 H ILE 18 H ILE 18 14.926 -0.494 -4.735 122 HA ILE 18 HA ILE 18 15.591 -3.162 -5.669 123 HB ILE 18 HB ILE 18 17.384 -0.906 -4.741 124 HG12 ILE 18 HG12 ILE 18 16.005 -0.310 -6.706 125 HG13 ILE 18 HG11 ILE 18 17.700 -0.492 -7.153 126 HG21 ILE 18 HG21 ILE 18 18.682 -2.585 -6.588 127 HG22 ILE 18 HG22 ILE 18 17.873 -3.672 -5.459 128 HG23 ILE 18 HG23 ILE 18 19.007 -2.462 -4.859 129 HD11 ILE 18 HD11 ILE 18 15.362 -2.110 -7.949 130 HD12 ILE 18 HD12 ILE 18 16.785 -3.050 -7.503 131 HD13 ILE 18 HD13 ILE 18 16.889 -1.850 -8.789 132 H ARG 19 H ARG 19 14.168 -3.191 -3.241 133 HA ARG 19 HA ARG 19 14.261 -4.421 -1.291 134 HB2 ARG 19 HB2 ARG 19 16.521 -5.288 -2.664 135 HB3 ARG 19 HB1 ARG 19 17.141 -4.784 -1.091 136 HG2 ARG 19 HG2 ARG 19 15.421 -6.171 0.024 137 HG3 ARG 19 HG1 ARG 19 14.829 -6.692 -1.553 138 HD2 ARG 19 HD2 ARG 19 16.605 -8.087 -1.911 139 HD3 ARG 19 HD1 ARG 19 17.741 -7.020 -1.089 140 HE ARG 19 HE ARG 19 15.921 -8.168 0.778 141 HH11 ARG 19 HH11 ARG 19 16.705 -9.821 2.123 142 HH12 ARG 19 HH12 ARG 19 18.156 -10.665 1.693 143 HH21 ARG 19 HH21 ARG 19 18.658 -8.856 -1.222 144 HH22 ARG 19 HH22 ARG 19 19.262 -10.118 -0.201 145 H ARG 20 H ARG 20 17.007 -2.191 -1.742 146 HA ARG 20 HA ARG 20 17.792 -1.516 0.724 147 HB2 ARG 20 HB2 ARG 20 17.201 0.138 -1.683 148 HB3 ARG 20 HB1 ARG 20 17.556 0.971 -0.180 149 HG2 ARG 20 HG2 ARG 20 19.743 0.335 -0.189 150 HG3 ARG 20 HG1 ARG 20 19.373 -1.263 -0.836 151 HD2 ARG 20 HD2 ARG 20 19.255 -0.470 -3.053 152 HD3 ARG 20 HD1 ARG 20 19.090 1.203 -2.538 153 HE ARG 20 HE ARG 20 21.441 1.192 -1.961 154 HH11 ARG 20 HH11 ARG 20 23.482 0.567 -2.711 155 HH12 ARG 20 HH12 ARG 20 23.646 -0.856 -3.687 156 HH21 ARG 20 HH21 ARG 20 20.268 -1.614 -3.637 157 HH22 ARG 20 HH22 ARG 20 21.831 -2.086 -4.210 158 H ARG 21 H ARG 21 17.079 -0.292 2.478 159 HA ARG 21 HA ARG 21 14.170 -0.059 2.708 160 HB2 ARG 21 HB2 ARG 21 16.418 -0.386 4.577 161 HB3 ARG 21 HB1 ARG 21 15.169 0.729 5.129 162 HG2 ARG 21 HG2 ARG 21 14.622 -1.545 5.851 163 HG3 ARG 21 HG1 ARG 21 13.448 -1.000 4.654 164 HD2 ARG 21 HD2 ARG 21 15.123 -2.113 2.949 165 HD3 ARG 21 HD1 ARG 21 15.652 -3.014 4.366 166 HE ARG 21 HE ARG 21 13.075 -3.241 3.024 167 HH11 ARG 21 HH11 ARG 21 11.787 -4.964 3.757 168 HH12 ARG 21 HH12 ARG 21 12.214 -5.797 5.214 169 HH21 ARG 21 HH21 ARG 21 15.024 -3.856 5.814 170 HH22 ARG 21 HH22 ARG 21 14.047 -5.168 6.380 171 H GLY 22 H GLY 22 17.007 1.973 3.489 172 HA2 GLY 22 HA2 GLY 22 15.371 4.340 2.794 173 HA3 GLY 22 HA1 GLY 22 16.425 4.320 4.205 174 H GLY 23 H GLY 23 16.762 6.286 2.350 175 HA2 GLY 23 HA2 GLY 23 19.480 5.788 1.466 176 HA3 GLY 23 HA1 GLY 23 18.329 6.081 0.166 177 H TYR 24 H TYR 24 20.132 7.896 0.074 178 HA TYR 24 HA TYR 24 18.824 10.321 0.916 179 HB2 TYR 24 HB2 TYR 24 20.903 9.195 2.570 180 HB3 TYR 24 HB1 TYR 24 21.434 10.735 1.897 181 HD1 TYR 24 HD1 TYR 24 19.267 12.488 1.773 182 HD2 TYR 24 HD2 TYR 24 19.937 9.388 4.672 183 HE1 TYR 24 HE1 TYR 24 17.825 13.691 3.394 184 HE2 TYR 24 HE2 TYR 24 18.495 10.592 6.292 185 HH TYR 24 HH TYR 24 16.739 13.526 5.361 186 H CYS 25 H CYS 25 20.308 12.263 0.342 187 HA CYS 25 HA CYS 25 21.285 11.782 -2.372 188 HB2 CYS 25 HB2 CYS 25 20.220 14.074 -0.862 189 HB3 CYS 25 HB1 CYS 25 21.559 14.471 -1.937 190 H ASP 26 H ASP 26 23.240 13.293 -2.959 191 HA ASP 26 HA ASP 26 25.245 13.397 -0.834 192 HB2 ASP 26 HB2 ASP 26 25.202 11.111 -2.180 193 HB3 ASP 26 HB1 ASP 26 26.093 12.064 -3.366 194 H GLY 27 H GLY 27 25.270 15.631 -1.092 195 HA2 GLY 27 HA2 GLY 27 26.884 17.218 -2.106 196 HA3 GLY 27 HA1 GLY 27 26.374 16.585 -3.668 197 H PHE 28 H PHE 28 26.268 19.341 -2.496 198 HA PHE 28 HA PHE 28 23.446 19.903 -2.154 199 HB2 PHE 28 HB2 PHE 28 25.411 21.161 -1.064 200 HB3 PHE 28 HB1 PHE 28 25.610 21.946 -2.631 201 HD1 PHE 28 HD1 PHE 28 23.988 23.538 -3.460 202 HD2 PHE 28 HD2 PHE 28 23.338 21.470 0.247 203 HE1 PHE 28 HE1 PHE 28 22.139 25.099 -2.915 204 HE2 PHE 28 HE2 PHE 28 21.489 23.030 0.794 205 HZ PHE 28 HZ PHE 28 20.889 24.845 -0.787 206 H LEU 29 H LEU 29 25.855 20.085 -4.695 207 HA LEU 29 HA LEU 29 24.006 21.438 -6.510 208 HB2 LEU 29 HB2 LEU 29 26.843 20.463 -6.923 209 HB3 LEU 29 HB1 LEU 29 25.907 21.405 -8.085 210 HG LEU 29 HG LEU 29 25.837 22.678 -5.487 211 HD11 LEU 29 HD11 LEU 29 28.253 23.310 -5.418 212 HD12 LEU 29 HD12 LEU 29 28.572 22.109 -6.670 213 HD13 LEU 29 HD13 LEU 29 27.988 21.598 -5.087 214 HD21 LEU 29 HD21 LEU 29 26.670 24.584 -6.807 215 HD22 LEU 29 HD22 LEU 29 25.377 23.753 -7.673 216 HD23 LEU 29 HD23 LEU 29 27.058 23.500 -8.142 217 H LYS 30 H LYS 30 23.657 20.525 -8.687 218 HA LYS 30 HA LYS 30 22.457 18.026 -8.645 219 HB2 LYS 30 HB2 LYS 30 22.549 18.130 -11.127 220 HB3 LYS 30 HB1 LYS 30 21.982 19.635 -10.405 221 HG2 LYS 30 HG2 LYS 30 23.716 20.788 -11.266 222 HG3 LYS 30 HG1 LYS 30 24.879 19.621 -10.632 223 HD2 LYS 30 HD2 LYS 30 24.594 18.186 -12.549 224 HD3 LYS 30 HD1 LYS 30 23.238 19.150 -13.135 225 HE2 LYS 30 HE2 LYS 30 24.656 20.485 -14.257 226 HE3 LYS 30 HE1 LYS 30 25.475 20.896 -12.750 227 HZ1 LYS 30 HZ1 LYS 30 26.141 18.276 -13.686 228 HZ2 LYS 30 HZ2 LYS 30 27.162 19.556 -13.235 229 HZ3 LYS 30 HZ3 LYS 30 26.542 19.477 -14.814 230 H GLN 31 H GLN 31 23.985 16.672 -7.523 231 HA GLN 31 HA GLN 31 26.263 15.799 -9.183 232 HB2 GLN 31 HB2 GLN 31 25.764 15.815 -6.230 233 HB3 GLN 31 HB1 GLN 31 26.885 14.637 -6.918 234 HG2 GLN 31 HG2 GLN 31 28.143 16.451 -8.006 235 HG3 GLN 31 HG1 GLN 31 27.019 17.635 -7.345 236 HE21 GLN 31 HE21 GLN 31 29.734 15.530 -6.564 237 HE22 GLN 31 HE22 GLN 31 29.966 16.116 -4.988 238 H ARG 32 H ARG 32 24.577 13.985 -6.633 239 HA ARG 32 HA ARG 32 23.113 12.284 -8.356 240 HB2 ARG 32 HB2 ARG 32 25.854 11.784 -8.458 241 HB3 ARG 32 HB1 ARG 32 25.218 10.541 -7.380 242 HG2 ARG 32 HG2 ARG 32 23.617 9.818 -9.035 243 HG3 ARG 32 HG1 ARG 32 24.006 11.182 -10.082 244 HD2 ARG 32 HD2 ARG 32 25.366 8.612 -9.808 245 HD3 ARG 32 HD1 ARG 32 25.484 9.809 -11.094 246 HE ARG 32 HE ARG 32 27.329 10.756 -9.996 247 HH11 ARG 32 HH11 ARG 32 28.999 10.632 -8.463 248 HH12 ARG 32 HH12 ARG 32 28.869 9.525 -7.138 249 HH21 ARG 32 HH21 ARG 32 25.765 8.320 -8.102 250 HH22 ARG 32 HH22 ARG 32 27.038 8.217 -6.933 251 H CYS 33 H CYS 33 22.454 10.214 -7.230 252 HA CYS 33 HA CYS 33 22.056 10.780 -4.362 253 HB2 CYS 33 HB2 CYS 33 20.487 9.268 -6.430 254 HB3 CYS 33 HB1 CYS 33 20.279 8.891 -4.720 255 H VAL 34 H VAL 34 22.021 8.886 -2.900 256 HA VAL 34 HA VAL 34 23.450 6.505 -3.770 257 HB VAL 34 HB VAL 34 24.621 8.218 -1.568 258 HG11 VAL 34 HG11 VAL 34 26.563 6.511 -2.413 259 HG12 VAL 34 HG12 VAL 34 25.128 5.525 -2.695 260 HG13 VAL 34 HG13 VAL 34 25.465 6.152 -1.081 261 HG21 VAL 34 HG21 VAL 34 26.476 8.599 -3.221 262 HG22 VAL 34 HG22 VAL 34 24.959 9.372 -3.681 263 HG23 VAL 34 HG23 VAL 34 25.458 7.873 -4.464 264 H CYS 35 H CYS 35 21.505 5.458 -3.127 265 HA CYS 35 HA CYS 35 20.371 5.732 -0.536 266 HB2 CYS 35 HB2 CYS 35 19.091 4.831 -2.417 267 HB3 CYS 35 HB1 CYS 35 20.170 3.435 -2.506 268 H TYR 36 H TYR 36 20.311 4.012 1.119 269 HA TYR 36 HA TYR 36 22.826 3.414 2.132 270 HB2 TYR 36 HB2 TYR 36 20.406 3.269 3.189 271 HB3 TYR 36 HB1 TYR 36 20.571 1.564 2.759 272 HD1 TYR 36 HD1 TYR 36 21.502 0.162 4.362 273 HD2 TYR 36 HD2 TYR 36 22.671 4.294 4.269 274 HE1 TYR 36 HE1 TYR 36 22.951 -0.204 6.341 275 HE2 TYR 36 HE2 TYR 36 24.120 3.929 6.248 276 HH TYR 36 HH TYR 36 23.929 1.148 8.178 277 H ARG 37 H ARG 37 22.260 0.551 2.776 278 HA ARG 37 HA ARG 37 23.697 -1.210 2.007 279 HB2 ARG 37 HB2 ARG 37 21.018 -1.253 0.625 280 HB3 ARG 37 HB1 ARG 37 22.110 -2.637 0.683 281 HG2 ARG 37 HG2 ARG 37 21.196 -3.154 2.678 282 HG3 ARG 37 HG1 ARG 37 21.981 -1.719 3.329 283 HD2 ARG 37 HD2 ARG 37 19.897 -0.473 2.327 284 HD3 ARG 37 HD1 ARG 37 19.153 -2.068 2.384 285 HE ARG 37 HE ARG 37 20.032 -1.924 4.870 286 HH11 ARG 37 HH11 ARG 37 19.137 -0.780 6.616 287 HH12 ARG 37 HH12 ARG 37 18.236 0.670 6.324 288 HH21 ARG 37 HH21 ARG 37 18.638 0.543 2.882 289 HH22 ARG 37 HH22 ARG 37 17.952 1.419 4.210 290 H LYS 38 H LYS 38 24.985 0.667 0.743 291 HA LYS 38 HA LYS 38 24.938 1.214 -1.880 292 HB2 LYS 38 HB2 LYS 38 26.810 1.838 -0.413 293 HB3 LYS 38 HB1 LYS 38 27.374 0.167 -0.419 294 HG2 LYS 38 HG2 LYS 38 27.991 0.248 -2.684 295 HG3 LYS 38 HG1 LYS 38 26.962 1.643 -3.010 296 HD2 LYS 38 HD2 LYS 38 28.428 3.065 -1.640 297 HD3 LYS 38 HD1 LYS 38 29.451 1.675 -1.278 298 HE2 LYS 38 HE2 LYS 38 29.320 1.598 -4.030 299 HE3 LYS 38 HE1 LYS 38 29.338 3.331 -3.705 300 HZ1 LYS 38 HZ1 LYS 38 31.296 3.012 -2.320 301 HZ2 LYS 38 HZ2 LYS 38 31.575 2.459 -3.902 302 HZ3 LYS 38 HZ3 LYS 38 31.281 1.348 -2.650 Start of MODEL 15 1 H1 GLY 1 H1 GLY 1 22.504 18.105 -3.008 2 HA2 GLY 1 HA2 GLY 1 22.117 18.696 -5.233 3 HA3 GLY 1 HA1 GLY 1 23.476 17.604 -5.483 4 H PHE 2 H PHE 2 22.294 17.345 -7.600 5 HA PHE 2 HA PHE 2 21.037 16.066 -9.033 6 HB2 PHE 2 HB2 PHE 2 22.208 14.206 -8.019 7 HB3 PHE 2 HB1 PHE 2 21.099 14.210 -6.648 8 HD1 PHE 2 HD1 PHE 2 21.103 13.969 -10.382 9 HD2 PHE 2 HD2 PHE 2 19.203 12.844 -6.701 10 HE1 PHE 2 HE1 PHE 2 19.561 12.482 -11.633 11 HE2 PHE 2 HE2 PHE 2 17.659 11.357 -7.950 12 HZ PHE 2 HZ PHE 2 17.841 11.176 -10.417 13 H GLY 3 H GLY 3 19.562 15.253 -5.903 14 HA2 GLY 3 HA2 GLY 3 17.120 16.690 -6.636 15 HA3 GLY 3 HA1 GLY 3 16.989 14.949 -6.406 16 H CYS 4 H CYS 4 15.752 14.954 -4.587 17 HA CYS 4 HA CYS 4 15.186 15.167 -2.378 18 HB2 CYS 4 HB2 CYS 4 16.782 14.333 -0.971 19 HB3 CYS 4 HB1 CYS 4 17.621 14.015 -2.489 20 HA PRO 5 HA PRO 5 15.037 15.529 -0.249 21 HB2 PRO 5 HB2 PRO 5 13.185 17.265 1.047 22 HB3 PRO 5 HB1 PRO 5 14.687 16.606 1.712 23 HG2 PRO 5 HG2 PRO 5 14.170 19.281 1.118 24 HG3 PRO 5 HG1 PRO 5 15.749 18.564 1.469 25 HD2 PRO 5 HD2 PRO 5 14.569 19.322 -1.158 26 HD3 PRO 5 HD1 PRO 5 16.277 19.248 -0.663 27 H PHE 6 H PHE 6 13.498 17.899 -2.250 28 HA PHE 6 HA PHE 6 10.853 16.856 -2.217 29 HB2 PHE 6 HB2 PHE 6 11.992 18.238 -4.621 30 HB3 PHE 6 HB1 PHE 6 10.384 18.375 -3.913 31 HD1 PHE 6 HD1 PHE 6 11.600 18.557 -0.985 32 HD2 PHE 6 HD2 PHE 6 12.274 20.690 -4.652 33 HE1 PHE 6 HE1 PHE 6 12.335 20.539 0.305 34 HE2 PHE 6 HE2 PHE 6 13.010 22.674 -3.360 35 HZ PHE 6 HZ PHE 6 13.041 22.599 -0.882 36 H ASN 7 H ASN 7 13.248 16.716 -4.860 37 HA ASN 7 HA ASN 7 11.895 14.529 -6.122 38 HB2 ASN 7 HB2 ASN 7 13.368 16.335 -7.226 39 HB3 ASN 7 HB1 ASN 7 14.732 15.352 -6.695 40 HD21 ASN 7 HD21 ASN 7 15.352 14.582 -8.793 41 HD22 ASN 7 HD22 ASN 7 14.357 13.572 -9.726 42 H GLN 8 H GLN 8 12.563 13.928 -3.426 43 HA GLN 8 HA GLN 8 14.875 12.189 -3.413 44 HB2 GLN 8 HB2 GLN 8 13.853 13.470 -1.410 45 HB3 GLN 8 HB1 GLN 8 12.668 12.164 -1.364 46 HG2 GLN 8 HG2 GLN 8 14.440 10.509 -1.114 47 HG3 GLN 8 HG1 GLN 8 15.671 11.759 -1.281 48 HE21 GLN 8 HE21 GLN 8 15.253 13.682 0.427 49 HE22 GLN 8 HE22 GLN 8 14.915 13.156 2.004 50 H GLY 9 H GLY 9 11.451 11.912 -3.989 51 HA2 GLY 9 HA2 GLY 9 11.021 9.189 -3.605 52 HA3 GLY 9 HA1 GLY 9 10.182 10.172 -4.785 53 H LYS 10 H LYS 10 12.213 10.899 -6.487 54 HA LYS 10 HA LYS 10 12.436 8.617 -8.130 55 HB2 LYS 10 HB2 LYS 10 12.520 11.034 -8.883 56 HB3 LYS 10 HB1 LYS 10 14.176 11.082 -8.291 57 HG2 LYS 10 HG2 LYS 10 13.534 8.782 -10.030 58 HG3 LYS 10 HG1 LYS 10 13.514 10.362 -10.812 59 HD2 LYS 10 HD2 LYS 10 15.772 10.817 -9.825 60 HD3 LYS 10 HD1 LYS 10 15.801 9.151 -9.243 61 HE2 LYS 10 HE2 LYS 10 16.396 10.151 -11.888 62 HE3 LYS 10 HE1 LYS 10 16.595 8.519 -11.252 63 HZ1 LYS 10 HZ1 LYS 10 14.112 8.293 -11.594 64 HZ2 LYS 10 HZ2 LYS 10 15.072 8.322 -12.996 65 HZ3 LYS 10 HZ3 LYS 10 14.206 9.706 -12.529 66 H CYS 11 H CYS 11 14.568 10.041 -5.725 67 HA CYS 11 HA CYS 11 16.663 8.085 -6.353 68 HB2 CYS 11 HB2 CYS 11 17.243 10.501 -5.860 69 HB3 CYS 11 HB1 CYS 11 16.707 10.219 -4.202 70 H HIS 12 H HIS 12 13.912 8.368 -4.408 71 HA HIS 12 HA HIS 12 14.999 6.540 -2.362 72 HB2 HIS 12 HB2 HIS 12 13.681 8.515 -1.609 73 HB3 HIS 12 HB1 HIS 12 12.288 7.873 -2.476 74 HD1 HIS 12 HD1 HIS 12 10.753 6.714 -0.915 75 HD2 HIS 12 HD2 HIS 12 14.739 6.134 0.162 76 HE1 HIS 12 HE1 HIS 12 10.732 5.212 1.123 77 HE2 HIS 12 HE2 HIS 12 13.154 4.848 1.792 78 H ARG 13 H ARG 13 12.170 6.816 -4.522 79 HA ARG 13 HA ARG 13 11.257 4.166 -4.128 80 HB2 ARG 13 HB2 ARG 13 10.858 5.973 -6.526 81 HB3 ARG 13 HB1 ARG 13 9.902 4.544 -6.134 82 HG2 ARG 13 HG2 ARG 13 9.666 5.863 -3.798 83 HG3 ARG 13 HG1 ARG 13 9.879 7.241 -4.878 84 HD2 ARG 13 HD2 ARG 13 7.844 5.033 -5.286 85 HD3 ARG 13 HD1 ARG 13 7.483 6.611 -4.593 86 HE ARG 13 HE ARG 13 8.745 6.997 -7.085 87 HH11 ARG 13 HH11 ARG 13 7.463 7.506 -8.895 88 HH12 ARG 13 HH12 ARG 13 5.772 7.130 -8.883 89 HH21 ARG 13 HH21 ARG 13 5.827 5.755 -5.702 90 HH22 ARG 13 HH22 ARG 13 4.847 6.141 -7.077 91 H HIS 14 H HIS 14 13.538 5.615 -6.386 92 HA HIS 14 HA HIS 14 13.818 3.518 -8.205 93 HB2 HIS 14 HB2 HIS 14 14.854 5.655 -8.635 94 HB3 HIS 14 HB1 HIS 14 15.872 5.496 -7.200 95 HD1 HIS 14 HD1 HIS 14 15.881 2.218 -8.360 96 HD2 HIS 14 HD2 HIS 14 17.654 5.694 -9.826 97 HE1 HIS 14 HE1 HIS 14 17.780 1.475 -9.862 98 HE2 HIS 14 HE2 HIS 14 18.871 3.583 -10.763 99 H CYS 15 H CYS 15 16.036 4.166 -5.452 100 HA CYS 15 HA CYS 15 17.260 1.620 -5.664 101 HB2 CYS 15 HB2 CYS 15 18.013 3.787 -4.356 102 HB3 CYS 15 HB1 CYS 15 17.167 2.992 -3.021 103 H ARG 16 H ARG 16 14.540 2.799 -3.726 104 HA ARG 16 HA ARG 16 14.124 0.762 -1.956 105 HB2 ARG 16 HB2 ARG 16 12.628 2.736 -2.214 106 HB3 ARG 16 HB1 ARG 16 11.948 1.994 -3.663 107 HG2 ARG 16 HG2 ARG 16 11.252 0.032 -2.332 108 HG3 ARG 16 HG1 ARG 16 11.921 0.782 -0.883 109 HD2 ARG 16 HD2 ARG 16 10.297 2.772 -1.904 110 HD3 ARG 16 HD1 ARG 16 9.383 1.307 -2.254 111 HE ARG 16 HE ARG 16 9.766 2.472 0.320 112 HH11 ARG 16 HH11 ARG 16 9.018 1.300 2.118 113 HH12 ARG 16 HH12 ARG 16 8.693 -0.394 1.967 114 HH21 ARG 16 HH21 ARG 16 9.583 -0.538 -1.380 115 HH22 ARG 16 HH22 ARG 16 9.014 -1.433 -0.012 116 H SER 17 H SER 17 13.284 0.777 -5.403 117 HA SER 17 HA SER 17 11.985 -1.667 -5.598 118 HB2 SER 17 HB2 SER 17 12.665 -1.683 -7.935 119 HB3 SER 17 HB1 SER 17 12.253 -0.037 -7.462 120 HG SER 17 HG SER 17 14.201 0.463 -8.038 121 H ILE 18 H ILE 18 15.460 -0.959 -5.685 122 HA ILE 18 HA ILE 18 16.284 -3.665 -6.062 123 HB ILE 18 HB ILE 18 18.005 -1.640 -4.674 124 HG12 ILE 18 HG12 ILE 18 16.860 -0.372 -6.425 125 HG13 ILE 18 HG11 ILE 18 18.525 -0.678 -6.913 126 HG21 ILE 18 HG21 ILE 18 18.606 -3.520 -6.967 127 HG22 ILE 18 HG22 ILE 18 18.712 -4.022 -5.279 128 HG23 ILE 18 HG23 ILE 18 19.753 -2.733 -5.883 129 HD11 ILE 18 HD11 ILE 18 15.988 -1.871 -7.967 130 HD12 ILE 18 HD12 ILE 18 17.456 -2.847 -8.002 131 HD13 ILE 18 HD13 ILE 18 17.405 -1.300 -8.848 132 H ARG 19 H ARG 19 14.457 -2.744 -3.697 133 HA ARG 19 HA ARG 19 13.972 -3.778 -1.685 134 HB2 ARG 19 HB2 ARG 19 16.685 -5.052 -1.598 135 HB3 ARG 19 HB1 ARG 19 15.150 -5.646 -0.968 136 HG2 ARG 19 HG2 ARG 19 14.730 -5.356 -3.730 137 HG3 ARG 19 HG1 ARG 19 16.335 -6.070 -3.583 138 HD2 ARG 19 HD2 ARG 19 13.806 -7.110 -2.279 139 HD3 ARG 19 HD1 ARG 19 14.611 -7.821 -3.674 140 HE ARG 19 HE ARG 19 16.598 -7.945 -1.948 141 HH11 ARG 19 HH11 ARG 19 16.901 -9.428 -0.254 142 HH12 ARG 19 HH12 ARG 19 15.527 -10.133 0.530 143 HH21 ARG 19 HH21 ARG 19 13.213 -8.448 -1.425 144 HH22 ARG 19 HH22 ARG 19 13.440 -9.578 -0.133 145 H ARG 20 H ARG 20 16.402 -1.643 -2.383 146 HA ARG 20 HA ARG 20 17.746 -1.353 0.084 147 HB2 ARG 20 HB2 ARG 20 17.670 -0.008 -2.434 148 HB3 ARG 20 HB1 ARG 20 17.481 1.198 -1.163 149 HG2 ARG 20 HG2 ARG 20 19.844 0.938 -1.491 150 HG3 ARG 20 HG1 ARG 20 19.457 0.093 0.007 151 HD2 ARG 20 HD2 ARG 20 19.059 -1.880 -1.851 152 HD3 ARG 20 HD1 ARG 20 20.395 -0.988 -2.571 153 HE ARG 20 HE ARG 20 21.391 -1.259 -0.168 154 HH11 ARG 20 HH11 ARG 20 22.264 -3.081 0.861 155 HH12 ARG 20 HH12 ARG 20 21.702 -4.664 0.437 156 HH21 ARG 20 HH21 ARG 20 19.432 -3.519 -1.920 157 HH22 ARG 20 HH22 ARG 20 20.099 -4.911 -1.136 158 H ARG 21 H ARG 21 17.493 0.387 1.651 159 HA ARG 21 HA ARG 21 14.853 1.624 1.837 160 HB2 ARG 21 HB2 ARG 21 15.709 -0.681 3.451 161 HB3 ARG 21 HB1 ARG 21 15.114 0.682 4.399 162 HG2 ARG 21 HG2 ARG 21 13.090 0.751 2.925 163 HG3 ARG 21 HG1 ARG 21 13.670 -0.715 2.134 164 HD2 ARG 21 HD2 ARG 21 13.777 -1.735 4.496 165 HD3 ARG 21 HD1 ARG 21 12.800 -0.360 5.002 166 HE ARG 21 HE ARG 21 10.979 -1.320 3.922 167 HH11 ARG 21 HH11 ARG 21 9.963 -2.989 2.766 168 HH12 ARG 21 HH12 ARG 21 10.923 -4.183 1.958 169 HH21 ARG 21 HH21 ARG 21 13.948 -2.804 2.945 170 HH22 ARG 21 HH22 ARG 21 13.179 -4.080 2.060 171 H GLY 22 H GLY 22 16.683 3.276 1.364 172 HA2 GLY 22 HA2 GLY 22 16.957 5.029 3.465 173 HA3 GLY 22 HA1 GLY 22 18.397 4.017 3.544 174 H GLY 23 H GLY 23 19.084 6.464 3.161 175 HA2 GLY 23 HA2 GLY 23 20.600 6.692 0.938 176 HA3 GLY 23 HA1 GLY 23 19.038 7.276 0.380 177 H TYR 24 H TYR 24 20.972 9.064 0.208 178 HA TYR 24 HA TYR 24 20.093 11.244 1.729 179 HB2 TYR 24 HB2 TYR 24 21.501 9.682 3.405 180 HB3 TYR 24 HB1 TYR 24 22.826 10.615 2.710 181 HD1 TYR 24 HD1 TYR 24 22.033 13.243 2.329 182 HD2 TYR 24 HD2 TYR 24 20.673 10.561 5.397 183 HE1 TYR 24 HE1 TYR 24 21.423 15.180 3.751 184 HE2 TYR 24 HE2 TYR 24 20.063 12.501 6.820 185 HH TYR 24 HH TYR 24 21.022 15.122 6.862 186 H CYS 25 H CYS 25 20.289 12.522 -0.042 187 HA CYS 25 HA CYS 25 22.167 12.491 -2.041 188 HB2 CYS 25 HB2 CYS 25 21.770 15.183 -1.769 189 HB3 CYS 25 HB1 CYS 25 20.648 14.088 -2.581 190 H ASP 26 H ASP 26 24.266 13.069 -2.276 191 HA ASP 26 HA ASP 26 25.580 14.264 0.088 192 HB2 ASP 26 HB2 ASP 26 27.657 13.094 -0.947 193 HB3 ASP 26 HB1 ASP 26 26.486 12.120 -0.062 194 H GLY 27 H GLY 27 26.668 16.105 -0.178 195 HA2 GLY 27 HA2 GLY 27 28.131 17.562 -1.405 196 HA3 GLY 27 HA1 GLY 27 27.428 16.949 -2.897 197 H PHE 28 H PHE 28 26.956 19.058 -3.624 198 HA PHE 28 HA PHE 28 24.609 20.263 -2.297 199 HB2 PHE 28 HB2 PHE 28 26.873 21.508 -2.017 200 HB3 PHE 28 HB1 PHE 28 26.658 21.944 -3.713 201 HD1 PHE 28 HD1 PHE 28 24.197 22.791 -4.319 202 HD2 PHE 28 HD2 PHE 28 25.959 22.918 -0.405 203 HE1 PHE 28 HE1 PHE 28 22.605 24.574 -3.660 204 HE2 PHE 28 HE2 PHE 28 24.368 24.703 0.254 205 HZ PHE 28 HZ PHE 28 22.690 25.530 -1.375 206 H LEU 29 H LEU 29 26.500 20.000 -5.299 207 HA LEU 29 HA LEU 29 24.031 20.563 -6.820 208 HB2 LEU 29 HB2 LEU 29 26.946 20.949 -7.432 209 HB3 LEU 29 HB1 LEU 29 25.771 20.807 -8.741 210 HG LEU 29 HG LEU 29 25.462 22.751 -6.440 211 HD11 LEU 29 HD11 LEU 29 27.487 22.968 -8.181 212 HD12 LEU 29 HD12 LEU 29 26.588 24.380 -7.624 213 HD13 LEU 29 HD13 LEU 29 26.209 23.652 -9.186 214 HD21 LEU 29 HD21 LEU 29 24.122 23.700 -8.662 215 HD22 LEU 29 HD22 LEU 29 23.376 22.806 -7.336 216 HD23 LEU 29 HD23 LEU 29 23.888 21.956 -8.795 217 H LYS 30 H LYS 30 24.353 19.451 -9.155 218 HA LYS 30 HA LYS 30 23.690 16.812 -8.954 219 HB2 LYS 30 HB2 LYS 30 25.335 17.925 -11.235 220 HB3 LYS 30 HB1 LYS 30 24.188 16.586 -11.294 221 HG2 LYS 30 HG2 LYS 30 22.491 18.388 -10.387 222 HG3 LYS 30 HG1 LYS 30 23.649 19.530 -11.068 223 HD2 LYS 30 HD2 LYS 30 23.415 18.611 -13.261 224 HD3 LYS 30 HD1 LYS 30 22.547 17.200 -12.652 225 HE2 LYS 30 HE2 LYS 30 21.054 19.373 -11.726 226 HE3 LYS 30 HE1 LYS 30 21.514 19.829 -13.366 227 HZ1 LYS 30 HZ1 LYS 30 19.585 18.615 -13.666 228 HZ2 LYS 30 HZ2 LYS 30 19.977 17.481 -12.462 229 HZ3 LYS 30 HZ3 LYS 30 20.791 17.457 -13.952 230 H GLN 31 H GLN 31 25.065 15.980 -7.248 231 HA GLN 31 HA GLN 31 27.822 15.373 -8.078 232 HB2 GLN 31 HB2 GLN 31 26.422 15.531 -5.442 233 HB3 GLN 31 HB1 GLN 31 27.821 14.465 -5.597 234 HG2 GLN 31 HG2 GLN 31 28.081 17.203 -6.741 235 HG3 GLN 31 HG1 GLN 31 28.071 17.073 -4.984 236 HE21 GLN 31 HE21 GLN 31 29.796 15.736 -3.975 237 HE22 GLN 31 HE22 GLN 31 31.230 15.420 -4.828 238 H ARG 32 H ARG 32 25.475 13.532 -6.092 239 HA ARG 32 HA ARG 32 25.000 11.476 -7.924 240 HB2 ARG 32 HB2 ARG 32 26.555 9.734 -6.775 241 HB3 ARG 32 HB1 ARG 32 27.217 10.791 -8.018 242 HG2 ARG 32 HG2 ARG 32 27.448 12.184 -5.546 243 HG3 ARG 32 HG1 ARG 32 28.014 10.541 -5.265 244 HD2 ARG 32 HD2 ARG 32 29.326 10.865 -7.497 245 HD3 ARG 32 HD1 ARG 32 29.058 12.583 -7.213 246 HE ARG 32 HE ARG 32 30.064 11.672 -4.835 247 HH11 ARG 32 HH11 ARG 32 32.289 11.627 -4.372 248 HH12 ARG 32 HH12 ARG 32 33.438 11.539 -5.666 249 HH21 ARG 32 HH21 ARG 32 31.023 11.503 -8.158 250 HH22 ARG 32 HH22 ARG 32 32.719 11.468 -7.811 251 H CYS 33 H CYS 33 23.035 11.078 -7.099 252 HA CYS 33 HA CYS 33 22.645 10.802 -4.218 253 HB2 CYS 33 HB2 CYS 33 20.977 11.975 -5.746 254 HB3 CYS 33 HB1 CYS 33 20.583 10.383 -6.394 255 H VAL 34 H VAL 34 22.757 8.897 -3.195 256 HA VAL 34 HA VAL 34 22.029 6.459 -4.637 257 HB VAL 34 HB VAL 34 24.731 6.879 -3.340 258 HG11 VAL 34 HG11 VAL 34 23.326 4.391 -4.348 259 HG12 VAL 34 HG12 VAL 34 23.969 4.678 -2.733 260 HG13 VAL 34 HG13 VAL 34 25.069 4.473 -4.096 261 HG21 VAL 34 HG21 VAL 34 25.572 6.354 -5.583 262 HG22 VAL 34 HG22 VAL 34 24.460 7.719 -5.673 263 HG23 VAL 34 HG23 VAL 34 23.925 6.112 -6.166 264 H CYS 35 H CYS 35 20.847 5.186 -3.405 265 HA CYS 35 HA CYS 35 19.882 5.768 -0.920 266 HB2 CYS 35 HB2 CYS 35 19.721 3.121 -0.764 267 HB3 CYS 35 HB1 CYS 35 18.738 4.040 -1.909 268 H TYR 36 H TYR 36 20.222 4.583 1.156 269 HA TYR 36 HA TYR 36 22.816 5.004 2.143 270 HB2 TYR 36 HB2 TYR 36 20.742 4.949 3.529 271 HB3 TYR 36 HB1 TYR 36 20.693 3.195 3.319 272 HD1 TYR 36 HD1 TYR 36 21.514 1.997 5.130 273 HD2 TYR 36 HD2 TYR 36 23.326 5.761 4.130 274 HE1 TYR 36 HE1 TYR 36 23.118 1.723 7.001 275 HE2 TYR 36 HE2 TYR 36 24.931 5.485 5.999 276 HH TYR 36 HH TYR 36 24.925 4.186 8.249 277 H ARG 37 H ARG 37 21.217 1.812 2.090 278 HA ARG 37 HA ARG 37 23.709 0.417 2.148 279 HB2 ARG 37 HB2 ARG 37 20.987 -0.665 1.387 280 HB3 ARG 37 HB1 ARG 37 22.381 -1.596 1.930 281 HG2 ARG 37 HG2 ARG 37 21.475 -1.386 3.999 282 HG3 ARG 37 HG1 ARG 37 22.114 0.257 3.944 283 HD2 ARG 37 HD2 ARG 37 20.014 1.115 3.109 284 HD3 ARG 37 HD1 ARG 37 19.372 -0.513 2.918 285 HE ARG 37 HE ARG 37 19.767 0.909 5.464 286 HH11 ARG 37 HH11 ARG 37 18.580 0.023 7.182 287 HH12 ARG 37 HH12 ARG 37 17.754 -1.486 6.973 288 HH21 ARG 37 HH21 ARG 37 18.769 -1.889 3.682 289 HH22 ARG 37 HH22 ARG 37 17.860 -2.565 4.992 290 H LYS 38 H LYS 38 25.047 0.035 0.514 291 HA LYS 38 HA LYS 38 24.294 0.662 -2.201 292 HB2 LYS 38 HB2 LYS 38 26.545 1.182 -1.350 293 HB3 LYS 38 HB1 LYS 38 26.844 -0.536 -1.094 294 HG2 LYS 38 HG2 LYS 38 26.661 -0.990 -3.461 295 HG3 LYS 38 HG1 LYS 38 26.130 0.662 -3.783 296 HD2 LYS 38 HD2 LYS 38 28.298 1.525 -3.007 297 HD3 LYS 38 HD1 LYS 38 28.834 -0.117 -2.651 298 HE2 LYS 38 HE2 LYS 38 28.870 -0.726 -4.937 299 HE3 LYS 38 HE1 LYS 38 27.881 0.656 -5.408 300 HZ1 LYS 38 HZ1 LYS 38 30.047 1.233 -6.001 301 HZ2 LYS 38 HZ2 LYS 38 30.713 0.627 -4.560 302 HZ3 LYS 38 HZ3 LYS 38 29.791 2.054 -4.539 Start of MODEL 16 1 H1 GLY 1 H1 GLY 1 20.857 20.423 -4.670 2 HA2 GLY 1 HA2 GLY 1 22.458 19.469 -6.038 3 HA3 GLY 1 HA1 GLY 1 22.536 18.139 -4.886 4 H PHE 2 H PHE 2 22.613 16.511 -6.423 5 HA PHE 2 HA PHE 2 21.367 16.068 -8.741 6 HB2 PHE 2 HB2 PHE 2 22.592 14.239 -7.970 7 HB3 PHE 2 HB1 PHE 2 21.762 14.213 -6.414 8 HD1 PHE 2 HD1 PHE 2 21.586 13.254 -9.956 9 HD2 PHE 2 HD2 PHE 2 19.513 13.251 -6.198 10 HE1 PHE 2 HE1 PHE 2 19.965 11.605 -10.851 11 HE2 PHE 2 HE2 PHE 2 17.892 11.602 -7.090 12 HZ PHE 2 HZ PHE 2 18.117 10.780 -9.417 13 H GLY 3 H GLY 3 19.752 15.180 -5.680 14 HA2 GLY 3 HA2 GLY 3 17.205 16.135 -6.750 15 HA3 GLY 3 HA1 GLY 3 17.314 14.428 -6.322 16 H CYS 4 H CYS 4 15.843 14.552 -4.638 17 HA CYS 4 HA CYS 4 15.043 14.983 -2.526 18 HB2 CYS 4 HB2 CYS 4 16.544 14.386 -0.884 19 HB3 CYS 4 HB1 CYS 4 17.445 13.856 -2.296 20 HA PRO 5 HA PRO 5 14.824 15.546 -0.390 21 HB2 PRO 5 HB2 PRO 5 13.017 17.027 0.971 22 HB3 PRO 5 HB1 PRO 5 14.753 17.077 1.332 23 HG2 PRO 5 HG2 PRO 5 13.066 19.036 -0.112 24 HG3 PRO 5 HG1 PRO 5 14.480 19.299 0.920 25 HD2 PRO 5 HD2 PRO 5 14.481 19.296 -1.890 26 HD3 PRO 5 HD1 PRO 5 15.917 19.182 -0.850 27 H PHE 6 H PHE 6 12.703 17.928 -1.999 28 HA PHE 6 HA PHE 6 10.333 16.479 -1.972 29 HB2 PHE 6 HB2 PHE 6 11.262 18.212 -4.265 30 HB3 PHE 6 HB1 PHE 6 9.599 17.870 -3.782 31 HD1 PHE 6 HD1 PHE 6 12.375 20.076 -3.386 32 HD2 PHE 6 HD2 PHE 6 8.914 18.535 -1.364 33 HE1 PHE 6 HE1 PHE 6 12.438 21.994 -1.818 34 HE2 PHE 6 HE2 PHE 6 8.976 20.454 0.206 35 HZ PHE 6 HZ PHE 6 10.741 22.183 -0.022 36 H ASN 7 H ASN 7 13.030 16.309 -4.269 37 HA ASN 7 HA ASN 7 11.664 14.154 -5.719 38 HB2 ASN 7 HB2 ASN 7 12.696 15.943 -7.047 39 HB3 ASN 7 HB1 ASN 7 14.261 15.584 -6.320 40 HD21 ASN 7 HD21 ASN 7 15.444 13.787 -7.145 41 HD22 ASN 7 HD22 ASN 7 14.885 12.819 -8.423 42 H GLN 8 H GLN 8 12.420 13.472 -3.114 43 HA GLN 8 HA GLN 8 14.942 12.023 -3.251 44 HB2 GLN 8 HB2 GLN 8 13.878 13.159 -1.159 45 HB3 GLN 8 HB1 GLN 8 12.909 11.688 -1.067 46 HG2 GLN 8 HG2 GLN 8 14.877 10.312 -0.907 47 HG3 GLN 8 HG1 GLN 8 15.929 11.682 -1.263 48 HE21 GLN 8 HE21 GLN 8 13.344 10.855 1.135 49 HE22 GLN 8 HE22 GLN 8 14.157 11.553 2.452 50 H GLY 9 H GLY 9 11.511 11.395 -3.515 51 HA2 GLY 9 HA2 GLY 9 11.437 8.635 -3.174 52 HA3 GLY 9 HA1 GLY 9 10.366 9.535 -4.241 53 H LYS 10 H LYS 10 11.860 10.429 -6.250 54 HA LYS 10 HA LYS 10 12.204 8.311 -7.951 55 HB2 LYS 10 HB2 LYS 10 12.364 10.896 -8.386 56 HB3 LYS 10 HB1 LYS 10 14.090 10.643 -8.153 57 HG2 LYS 10 HG2 LYS 10 12.684 8.758 -9.989 58 HG3 LYS 10 HG1 LYS 10 12.940 10.407 -10.552 59 HD2 LYS 10 HD2 LYS 10 15.251 9.034 -9.265 60 HD3 LYS 10 HD1 LYS 10 14.797 8.516 -10.890 61 HE2 LYS 10 HE2 LYS 10 16.481 10.383 -10.872 62 HE3 LYS 10 HE1 LYS 10 14.994 10.784 -11.731 63 HZ1 LYS 10 HZ1 LYS 10 15.786 12.525 -10.163 64 HZ2 LYS 10 HZ2 LYS 10 15.476 11.453 -8.882 65 HZ3 LYS 10 HZ3 LYS 10 14.203 11.995 -9.868 66 H CYS 11 H CYS 11 14.487 9.613 -5.610 67 HA CYS 11 HA CYS 11 16.582 7.766 -6.441 68 HB2 CYS 11 HB2 CYS 11 17.273 9.979 -5.644 69 HB3 CYS 11 HB1 CYS 11 16.462 9.696 -4.100 70 H HIS 12 H HIS 12 14.157 8.098 -3.900 71 HA HIS 12 HA HIS 12 15.173 5.858 -2.381 72 HB2 HIS 12 HB2 HIS 12 13.643 7.889 -1.627 73 HB3 HIS 12 HB1 HIS 12 12.350 6.787 -2.104 74 HD1 HIS 12 HD1 HIS 12 11.532 5.786 0.046 75 HD2 HIS 12 HD2 HIS 12 15.695 5.838 -0.157 76 HE1 HIS 12 HE1 HIS 12 12.364 4.544 2.091 77 HE2 HIS 12 HE2 HIS 12 14.901 4.568 1.981 78 H ARG 13 H ARG 13 12.235 6.381 -4.363 79 HA ARG 13 HA ARG 13 11.311 3.741 -4.300 80 HB2 ARG 13 HB2 ARG 13 9.860 4.355 -6.036 81 HB3 ARG 13 HB1 ARG 13 10.190 5.889 -5.232 82 HG2 ARG 13 HG2 ARG 13 12.037 6.283 -6.896 83 HG3 ARG 13 HG1 ARG 13 11.499 4.841 -7.757 84 HD2 ARG 13 HD2 ARG 13 9.217 5.882 -7.928 85 HD3 ARG 13 HD1 ARG 13 9.893 7.356 -7.239 86 HE ARG 13 HE ARG 13 11.494 6.676 -9.421 87 HH11 ARG 13 HH11 ARG 13 11.147 7.652 -11.442 88 HH12 ARG 13 HH12 ARG 13 9.602 8.343 -11.809 89 HH21 ARG 13 HH21 ARG 13 8.208 7.523 -8.742 90 HH22 ARG 13 HH22 ARG 13 7.939 8.271 -10.282 91 H HIS 14 H HIS 14 13.868 5.246 -6.111 92 HA HIS 14 HA HIS 14 14.143 3.236 -8.115 93 HB2 HIS 14 HB2 HIS 14 15.161 5.250 -8.698 94 HB3 HIS 14 HB1 HIS 14 15.863 5.474 -7.093 95 HD1 HIS 14 HD1 HIS 14 16.167 2.936 -9.940 96 HD2 HIS 14 HD2 HIS 14 18.528 4.800 -7.055 97 HE1 HIS 14 HE1 HIS 14 18.537 2.131 -10.325 98 HE2 HIS 14 HE2 HIS 14 19.989 3.259 -8.574 99 H CYS 15 H CYS 15 16.129 3.946 -5.222 100 HA CYS 15 HA CYS 15 17.501 1.431 -5.396 101 HB2 CYS 15 HB2 CYS 15 18.160 3.721 -4.190 102 HB3 CYS 15 HB1 CYS 15 17.408 2.905 -2.814 103 H ARG 16 H ARG 16 14.849 2.702 -3.417 104 HA ARG 16 HA ARG 16 14.492 0.643 -1.622 105 HB2 ARG 16 HB2 ARG 16 13.118 2.641 -1.527 106 HB3 ARG 16 HB1 ARG 16 12.374 2.243 -3.076 107 HG2 ARG 16 HG2 ARG 16 11.003 0.666 -2.161 108 HG3 ARG 16 HG1 ARG 16 12.236 0.110 -1.029 109 HD2 ARG 16 HD2 ARG 16 11.650 1.648 0.580 110 HD3 ARG 16 HD1 ARG 16 11.131 2.846 -0.603 111 HE ARG 16 HE ARG 16 9.483 0.833 0.630 112 HH11 ARG 16 HH11 ARG 16 7.308 0.785 -0.025 113 HH12 ARG 16 HH12 ARG 16 6.829 1.602 -1.476 114 HH21 ARG 16 HH21 ARG 16 10.021 2.746 -2.200 115 HH22 ARG 16 HH22 ARG 16 8.365 2.713 -2.707 116 H SER 17 H SER 17 13.470 0.810 -5.007 117 HA SER 17 HA SER 17 11.919 -1.501 -5.154 118 HB2 SER 17 HB2 SER 17 12.377 0.234 -6.987 119 HB3 SER 17 HB1 SER 17 13.855 -0.667 -7.316 120 HG SER 17 HG SER 17 12.688 -2.106 -8.290 121 H ILE 18 H ILE 18 15.415 -1.072 -5.229 122 HA ILE 18 HA ILE 18 15.996 -3.839 -5.764 123 HB ILE 18 HB ILE 18 17.927 -1.923 -4.483 124 HG12 ILE 18 HG12 ILE 18 16.662 -0.746 -6.325 125 HG13 ILE 18 HG11 ILE 18 18.387 -0.926 -6.642 126 HG21 ILE 18 HG21 ILE 18 18.176 -4.080 -6.603 127 HG22 ILE 18 HG22 ILE 18 18.627 -4.249 -4.907 128 HG23 ILE 18 HG23 ILE 18 19.510 -3.131 -5.946 129 HD11 ILE 18 HD11 ILE 18 17.942 -2.910 -8.026 130 HD12 ILE 18 HD12 ILE 18 17.039 -1.521 -8.632 131 HD13 ILE 18 HD13 ILE 18 16.216 -2.766 -7.693 132 H ARG 19 H ARG 19 14.422 -2.698 -3.292 133 HA ARG 19 HA ARG 19 13.897 -3.822 -1.315 134 HB2 ARG 19 HB2 ARG 19 15.004 -5.691 -0.642 135 HB3 ARG 19 HB1 ARG 19 15.658 -5.622 -2.275 136 HG2 ARG 19 HG2 ARG 19 17.476 -4.057 -1.133 137 HG3 ARG 19 HG1 ARG 19 16.961 -4.898 0.327 138 HD2 ARG 19 HD2 ARG 19 18.322 -5.987 -2.103 139 HD3 ARG 19 HD1 ARG 19 18.634 -6.322 -0.404 140 HE ARG 19 HE ARG 19 16.056 -7.257 -1.340 141 HH11 ARG 19 HH11 ARG 19 15.790 -9.511 -1.341 142 HH12 ARG 19 HH12 ARG 19 17.172 -10.541 -1.174 143 HH21 ARG 19 HH21 ARG 19 19.432 -7.919 -0.956 144 HH22 ARG 19 HH22 ARG 19 19.234 -9.641 -0.956 145 H ARG 20 H ARG 20 16.694 -1.950 -1.995 146 HA ARG 20 HA ARG 20 17.814 -1.365 0.432 147 HB2 ARG 20 HB2 ARG 20 17.617 -0.072 -2.132 148 HB3 ARG 20 HB1 ARG 20 17.479 1.136 -0.857 149 HG2 ARG 20 HG2 ARG 20 19.814 0.938 -1.231 150 HG3 ARG 20 HG1 ARG 20 19.516 -0.014 0.221 151 HD2 ARG 20 HD2 ARG 20 19.988 -1.990 -0.818 152 HD3 ARG 20 HD1 ARG 20 19.245 -1.490 -2.332 153 HE ARG 20 HE ARG 20 21.756 -0.166 -1.695 154 HH11 ARG 20 HH11 ARG 20 23.441 -0.577 -3.163 155 HH12 ARG 20 HH12 ARG 20 23.281 -1.852 -4.323 156 HH21 ARG 20 HH21 ARG 20 20.118 -2.787 -3.255 157 HH22 ARG 20 HH22 ARG 20 21.399 -3.102 -4.377 158 H ARG 21 H ARG 21 17.492 0.507 1.889 159 HA ARG 21 HA ARG 21 14.834 1.662 2.023 160 HB2 ARG 21 HB2 ARG 21 15.650 -0.611 3.731 161 HB3 ARG 21 HB1 ARG 21 14.904 0.746 4.573 162 HG2 ARG 21 HG2 ARG 21 13.015 0.666 2.939 163 HG3 ARG 21 HG1 ARG 21 13.743 -0.770 2.218 164 HD2 ARG 21 HD2 ARG 21 13.150 -2.115 3.967 165 HD3 ARG 21 HD1 ARG 21 13.404 -0.846 5.160 166 HE ARG 21 HE ARG 21 11.167 -0.251 4.935 167 HH11 ARG 21 HH11 ARG 21 9.072 -0.546 4.111 168 HH12 ARG 21 HH12 ARG 21 8.828 -1.547 2.720 169 HH21 ARG 21 HH21 ARG 21 12.188 -2.323 2.358 170 HH22 ARG 21 HH22 ARG 21 10.591 -2.556 1.728 171 H GLY 22 H GLY 22 16.582 3.374 1.657 172 HA2 GLY 22 HA2 GLY 22 16.774 5.193 3.609 173 HA3 GLY 22 HA1 GLY 22 18.105 4.120 4.030 174 H GLY 23 H GLY 23 18.471 6.837 3.313 175 HA2 GLY 23 HA2 GLY 23 20.524 6.617 1.382 176 HA3 GLY 23 HA1 GLY 23 19.094 7.300 0.622 177 H TYR 24 H TYR 24 20.865 9.042 0.406 178 HA TYR 24 HA TYR 24 20.181 11.272 1.983 179 HB2 TYR 24 HB2 TYR 24 21.569 9.832 3.626 180 HB3 TYR 24 HB1 TYR 24 22.954 10.287 2.641 181 HD1 TYR 24 HD1 TYR 24 20.016 11.816 4.411 182 HD2 TYR 24 HD2 TYR 24 24.084 12.267 3.110 183 HE1 TYR 24 HE1 TYR 24 20.165 13.978 5.623 184 HE2 TYR 24 HE2 TYR 24 24.233 14.426 4.317 185 HH TYR 24 HH TYR 24 23.223 15.746 5.851 186 H CYS 25 H CYS 25 20.263 12.630 0.236 187 HA CYS 25 HA CYS 25 21.923 12.426 -1.974 188 HB2 CYS 25 HB2 CYS 25 21.607 15.168 -1.701 189 HB3 CYS 25 HB1 CYS 25 20.501 14.077 -2.528 190 H ASP 26 H ASP 26 23.969 13.059 -2.500 191 HA ASP 26 HA ASP 26 25.590 14.169 -0.286 192 HB2 ASP 26 HB2 ASP 26 25.977 11.857 -2.005 193 HB3 ASP 26 HB1 ASP 26 27.344 12.967 -2.095 194 H GLY 27 H GLY 27 27.022 15.814 -0.714 195 HA2 GLY 27 HA2 GLY 27 28.114 17.472 -1.926 196 HA3 GLY 27 HA1 GLY 27 27.511 16.740 -3.410 197 H PHE 28 H PHE 28 27.508 19.449 -3.214 198 HA PHE 28 HA PHE 28 24.801 20.282 -2.443 199 HB2 PHE 28 HB2 PHE 28 26.713 21.682 -1.733 200 HB3 PHE 28 HB1 PHE 28 27.148 21.929 -3.423 201 HD1 PHE 28 HD1 PHE 28 26.040 23.550 -4.755 202 HD2 PHE 28 HD2 PHE 28 24.433 22.462 -0.923 203 HE1 PHE 28 HE1 PHE 28 24.420 25.421 -4.904 204 HE2 PHE 28 HE2 PHE 28 22.813 24.334 -1.071 205 HZ PHE 28 HZ PHE 28 22.807 25.814 -3.062 206 H LEU 29 H LEU 29 26.965 20.238 -5.266 207 HA LEU 29 HA LEU 29 24.860 21.173 -7.036 208 HB2 LEU 29 HB2 LEU 29 27.730 20.342 -7.430 209 HB3 LEU 29 HB1 LEU 29 26.660 20.660 -8.797 210 HG LEU 29 HG LEU 29 26.444 22.757 -6.796 211 HD11 LEU 29 HD11 LEU 29 28.843 21.970 -6.442 212 HD12 LEU 29 HD12 LEU 29 28.657 23.663 -6.903 213 HD13 LEU 29 HD13 LEU 29 29.157 22.472 -8.104 214 HD21 LEU 29 HD21 LEU 29 27.342 22.696 -9.696 215 HD22 LEU 29 HD22 LEU 29 26.939 24.155 -8.792 216 HD23 LEU 29 HD23 LEU 29 25.692 22.953 -9.127 217 H LYS 30 H LYS 30 24.201 19.954 -8.941 218 HA LYS 30 HA LYS 30 23.074 17.505 -8.435 219 HB2 LYS 30 HB2 LYS 30 23.285 17.206 -11.028 220 HB3 LYS 30 HB1 LYS 30 22.296 18.515 -10.382 221 HG2 LYS 30 HG2 LYS 30 25.099 19.291 -10.651 222 HG3 LYS 30 HG1 LYS 30 24.394 18.798 -12.191 223 HD2 LYS 30 HD2 LYS 30 22.454 20.326 -11.715 224 HD3 LYS 30 HD1 LYS 30 23.327 20.909 -10.297 225 HE2 LYS 30 HE2 LYS 30 25.233 21.540 -11.795 226 HE3 LYS 30 HE1 LYS 30 24.242 21.087 -13.182 227 HZ1 LYS 30 HZ1 LYS 30 22.567 22.701 -12.389 228 HZ2 LYS 30 HZ2 LYS 30 24.041 23.424 -12.827 229 HZ3 LYS 30 HZ3 LYS 30 23.652 23.204 -11.187 230 H GLN 31 H GLN 31 24.673 16.320 -7.233 231 HA GLN 31 HA GLN 31 26.952 15.298 -8.762 232 HB2 GLN 31 HB2 GLN 31 26.181 15.263 -5.861 233 HB3 GLN 31 HB1 GLN 31 27.401 14.146 -6.477 234 HG2 GLN 31 HG2 GLN 31 28.555 16.168 -7.507 235 HG3 GLN 31 HG1 GLN 31 27.456 17.169 -6.560 236 HE21 GLN 31 HE21 GLN 31 28.380 14.147 -5.104 237 HE22 GLN 31 HE22 GLN 31 29.492 14.791 -3.995 238 H ARG 32 H ARG 32 24.858 13.620 -6.410 239 HA ARG 32 HA ARG 32 23.503 11.917 -8.124 240 HB2 ARG 32 HB2 ARG 32 25.420 10.974 -9.061 241 HB3 ARG 32 HB1 ARG 32 26.314 11.036 -7.542 242 HG2 ARG 32 HG2 ARG 32 25.097 9.220 -6.628 243 HG3 ARG 32 HG1 ARG 32 23.856 9.313 -7.876 244 HD2 ARG 32 HD2 ARG 32 26.710 8.792 -8.650 245 HD3 ARG 32 HD1 ARG 32 25.720 7.471 -8.037 246 HE ARG 32 HE ARG 32 25.314 8.924 -10.553 247 HH11 ARG 32 HH11 ARG 32 23.893 7.877 -11.984 248 HH12 ARG 32 HH12 ARG 32 22.980 6.509 -11.442 249 HH21 ARG 32 HH21 ARG 32 24.285 6.575 -8.231 250 HH22 ARG 32 HH22 ARG 32 23.201 5.773 -9.317 251 H CYS 33 H CYS 33 22.008 10.909 -6.922 252 HA CYS 33 HA CYS 33 22.317 10.889 -4.022 253 HB2 CYS 33 HB2 CYS 33 20.207 11.692 -4.872 254 HB3 CYS 33 HB1 CYS 33 19.975 10.225 -5.819 255 H VAL 34 H VAL 34 22.784 9.167 -2.838 256 HA VAL 34 HA VAL 34 22.603 6.492 -4.086 257 HB VAL 34 HB VAL 34 24.749 7.173 -2.102 258 HG11 VAL 34 HG11 VAL 34 25.058 5.385 -4.476 259 HG12 VAL 34 HG12 VAL 34 24.023 4.825 -3.161 260 HG13 VAL 34 HG13 VAL 34 25.715 5.214 -2.848 261 HG21 VAL 34 HG21 VAL 34 25.381 8.800 -3.602 262 HG22 VAL 34 HG22 VAL 34 24.499 8.050 -4.930 263 HG23 VAL 34 HG23 VAL 34 26.066 7.408 -4.445 264 H CYS 35 H CYS 35 21.425 5.099 -2.977 265 HA CYS 35 HA CYS 35 20.094 5.754 -0.588 266 HB2 CYS 35 HB2 CYS 35 19.881 3.078 -0.612 267 HB3 CYS 35 HB1 CYS 35 18.950 4.116 -1.696 268 H TYR 36 H TYR 36 20.247 4.618 1.481 269 HA TYR 36 HA TYR 36 22.714 4.855 2.711 270 HB2 TYR 36 HB2 TYR 36 20.684 4.769 4.014 271 HB3 TYR 36 HB1 TYR 36 20.352 3.123 3.469 272 HD1 TYR 36 HD1 TYR 36 20.629 1.628 5.231 273 HD2 TYR 36 HD2 TYR 36 23.459 4.825 4.745 274 HE1 TYR 36 HE1 TYR 36 21.972 0.729 7.111 275 HE2 TYR 36 HE2 TYR 36 24.800 3.923 6.622 276 HH TYR 36 HH TYR 36 24.936 1.244 7.663 277 H ARG 37 H ARG 37 21.194 1.639 2.461 278 HA ARG 37 HA ARG 37 23.681 0.282 2.614 279 HB2 ARG 37 HB2 ARG 37 21.076 -0.803 1.530 280 HB3 ARG 37 HB1 ARG 37 22.426 -1.732 2.176 281 HG2 ARG 37 HG2 ARG 37 21.421 -1.607 4.189 282 HG3 ARG 37 HG1 ARG 37 21.824 0.108 4.192 283 HD2 ARG 37 HD2 ARG 37 19.705 0.712 3.291 284 HD3 ARG 37 HD1 ARG 37 19.339 -0.951 2.841 285 HE ARG 37 HE ARG 37 19.211 0.183 5.550 286 HH11 ARG 37 HH11 ARG 37 18.026 -1.093 7.010 287 HH12 ARG 37 HH12 ARG 37 17.508 -2.679 6.542 288 HH21 ARG 37 HH21 ARG 37 18.914 -2.498 3.379 289 HH22 ARG 37 HH22 ARG 37 18.010 -3.473 4.489 290 H LYS 38 H LYS 38 24.949 1.321 0.967 291 HA LYS 38 HA LYS 38 24.246 1.246 -1.789 292 HB2 LYS 38 HB2 LYS 38 25.893 2.828 -1.182 293 HB3 LYS 38 HB1 LYS 38 26.849 1.624 -0.318 294 HG2 LYS 38 HG2 LYS 38 26.364 1.005 -3.167 295 HG3 LYS 38 HG1 LYS 38 27.366 2.428 -2.878 296 HD2 LYS 38 HD2 LYS 38 28.832 1.091 -1.399 297 HD3 LYS 38 HD1 LYS 38 27.840 -0.334 -1.714 298 HE2 LYS 38 HE2 LYS 38 30.031 0.582 -3.237 299 HE3 LYS 38 HE1 LYS 38 28.925 -0.729 -3.645 300 HZ1 LYS 38 HZ1 LYS 38 27.436 0.918 -4.640 301 HZ2 LYS 38 HZ2 LYS 38 28.958 0.907 -5.395 302 HZ3 LYS 38 HZ3 LYS 38 28.559 2.144 -4.301 Start of MODEL 17 1 H1 GLY 1 H1 GLY 1 20.179 16.421 -3.137 2 HA2 GLY 1 HA2 GLY 1 21.999 17.265 -4.781 3 HA3 GLY 1 HA1 GLY 1 22.338 15.545 -4.948 4 H PHE 2 H PHE 2 21.778 15.461 -7.129 5 HA PHE 2 HA PHE 2 19.808 16.478 -8.595 6 HB2 PHE 2 HB2 PHE 2 21.206 14.745 -9.523 7 HB3 PHE 2 HB1 PHE 2 20.496 13.544 -8.447 8 HD1 PHE 2 HD1 PHE 2 20.200 15.235 -11.612 9 HD2 PHE 2 HD2 PHE 2 17.972 13.100 -8.622 10 HE1 PHE 2 HE1 PHE 2 18.386 14.821 -13.254 11 HE2 PHE 2 HE2 PHE 2 16.160 12.690 -10.264 12 HZ PHE 2 HZ PHE 2 16.367 13.551 -12.579 13 H GLY 3 H GLY 3 19.346 14.282 -5.963 14 HA2 GLY 3 HA2 GLY 3 16.426 14.452 -6.376 15 HA3 GLY 3 HA1 GLY 3 17.239 13.094 -5.621 16 H CYS 4 H CYS 4 16.451 13.109 -3.606 17 HA CYS 4 HA CYS 4 15.417 14.826 -1.950 18 HB2 CYS 4 HB2 CYS 4 15.892 12.970 -0.741 19 HB3 CYS 4 HB1 CYS 4 17.461 12.752 -1.508 20 HA PRO 5 HA PRO 5 15.233 15.833 -0.068 21 HB2 PRO 5 HB2 PRO 5 14.524 18.362 0.586 22 HB3 PRO 5 HB1 PRO 5 15.797 17.485 1.457 23 HG2 PRO 5 HG2 PRO 5 16.038 19.587 -0.632 24 HG3 PRO 5 HG1 PRO 5 17.006 19.332 0.831 25 HD2 PRO 5 HD2 PRO 5 17.798 18.559 -1.708 26 HD3 PRO 5 HD1 PRO 5 18.402 17.828 -0.205 27 H PHE 6 H PHE 6 15.792 16.894 -3.044 28 HA PHE 6 HA PHE 6 13.199 18.065 -3.663 29 HB2 PHE 6 HB2 PHE 6 15.486 17.342 -5.508 30 HB3 PHE 6 HB1 PHE 6 14.094 18.347 -5.907 31 HD1 PHE 6 HD1 PHE 6 17.297 18.189 -4.117 32 HD2 PHE 6 HD2 PHE 6 13.838 20.603 -4.932 33 HE1 PHE 6 HE1 PHE 6 18.486 20.181 -3.250 34 HE2 PHE 6 HE2 PHE 6 15.030 22.597 -4.063 35 HZ PHE 6 HZ PHE 6 17.354 22.387 -3.223 36 H ASN 7 H ASN 7 14.938 15.631 -5.570 37 HA ASN 7 HA ASN 7 12.413 14.137 -5.844 38 HB2 ASN 7 HB2 ASN 7 14.012 14.990 -7.800 39 HB3 ASN 7 HB1 ASN 7 14.823 13.462 -7.460 40 HD21 ASN 7 HD21 ASN 7 13.980 12.936 -9.742 41 HD22 ASN 7 HD22 ASN 7 12.407 12.311 -9.863 42 H GLN 8 H GLN 8 12.693 13.225 -3.669 43 HA GLN 8 HA GLN 8 14.886 11.550 -3.004 44 HB2 GLN 8 HB2 GLN 8 13.112 12.562 -1.440 45 HB3 GLN 8 HB1 GLN 8 12.079 11.226 -1.941 46 HG2 GLN 8 HG2 GLN 8 13.267 9.692 -0.748 47 HG3 GLN 8 HG1 GLN 8 14.815 10.437 -1.143 48 HE21 GLN 8 HE21 GLN 8 11.867 11.464 0.694 49 HE22 GLN 8 HE22 GLN 8 12.738 12.055 2.025 50 H GLY 9 H GLY 9 12.059 11.096 -4.946 51 HA2 GLY 9 HA2 GLY 9 11.886 8.264 -4.835 52 HA3 GLY 9 HA1 GLY 9 11.243 9.285 -6.114 53 H LYS 10 H LYS 10 13.595 10.489 -7.026 54 HA LYS 10 HA LYS 10 14.542 8.649 -8.883 55 HB2 LYS 10 HB2 LYS 10 14.824 11.105 -9.080 56 HB3 LYS 10 HB1 LYS 10 16.016 11.058 -7.785 57 HG2 LYS 10 HG2 LYS 10 17.383 10.971 -9.675 58 HG3 LYS 10 HG1 LYS 10 17.197 9.264 -9.289 59 HD2 LYS 10 HD2 LYS 10 15.756 8.874 -11.072 60 HD3 LYS 10 HD1 LYS 10 15.214 10.551 -11.138 61 HE2 LYS 10 HE2 LYS 10 16.646 10.162 -13.048 62 HE3 LYS 10 HE1 LYS 10 17.523 11.190 -11.915 63 HZ1 LYS 10 HZ1 LYS 10 18.616 9.195 -11.049 64 HZ2 LYS 10 HZ2 LYS 10 18.939 9.426 -12.700 65 HZ3 LYS 10 HZ3 LYS 10 17.816 8.249 -12.208 66 H CYS 11 H CYS 11 15.539 9.233 -5.599 67 HA CYS 11 HA CYS 11 17.716 7.261 -5.935 68 HB2 CYS 11 HB2 CYS 11 17.367 9.311 -3.736 69 HB3 CYS 11 HB1 CYS 11 18.736 8.220 -3.948 70 H HIS 12 H HIS 12 14.648 7.825 -4.573 71 HA HIS 12 HA HIS 12 15.008 5.652 -2.614 72 HB2 HIS 12 HB2 HIS 12 14.053 7.783 -1.781 73 HB3 HIS 12 HB1 HIS 12 12.713 7.605 -2.913 74 HD1 HIS 12 HD1 HIS 12 14.269 5.875 0.085 75 HD2 HIS 12 HD2 HIS 12 10.695 5.877 -2.060 76 HE1 HIS 12 HE1 HIS 12 12.647 4.435 1.394 77 HE2 HIS 12 HE2 HIS 12 10.464 4.426 0.097 78 H ARG 13 H ARG 13 13.849 6.213 -5.732 79 HA ARG 13 HA ARG 13 11.834 4.080 -5.561 80 HB2 ARG 13 HB2 ARG 13 10.916 4.894 -7.515 81 HB3 ARG 13 HB1 ARG 13 11.601 6.377 -6.855 82 HG2 ARG 13 HG2 ARG 13 13.690 5.914 -8.195 83 HG3 ARG 13 HG1 ARG 13 12.829 4.581 -8.964 84 HD2 ARG 13 HD2 ARG 13 11.126 6.119 -9.803 85 HD3 ARG 13 HD1 ARG 13 11.895 7.463 -8.966 86 HE ARG 13 HE ARG 13 13.350 7.616 -10.751 87 HH11 ARG 13 HH11 ARG 13 14.389 6.879 -12.630 88 HH12 ARG 13 HH12 ARG 13 14.156 5.245 -13.158 89 HH21 ARG 13 HH21 ARG 13 12.027 4.425 -10.545 90 HH22 ARG 13 HH22 ARG 13 12.818 3.855 -11.976 91 H HIS 14 H HIS 14 14.819 4.913 -7.307 92 HA HIS 14 HA HIS 14 14.951 2.488 -8.783 93 HB2 HIS 14 HB2 HIS 14 16.224 4.761 -9.109 94 HB3 HIS 14 HB1 HIS 14 17.414 4.019 -8.036 95 HD1 HIS 14 HD1 HIS 14 17.948 1.352 -8.849 96 HD2 HIS 14 HD2 HIS 14 16.744 4.109 -11.736 97 HE1 HIS 14 HE1 HIS 14 18.657 0.401 -11.086 98 HE2 HIS 14 HE2 HIS 14 17.930 2.070 -12.856 99 H CYS 15 H CYS 15 16.467 3.478 -5.696 100 HA CYS 15 HA CYS 15 17.807 0.938 -5.454 101 HB2 CYS 15 HB2 CYS 15 18.248 3.376 -4.323 102 HB3 CYS 15 HB1 CYS 15 17.456 2.515 -2.998 103 H ARG 16 H ARG 16 14.933 2.433 -3.982 104 HA ARG 16 HA ARG 16 14.241 0.630 -2.070 105 HB2 ARG 16 HB2 ARG 16 12.715 2.388 -2.424 106 HB3 ARG 16 HB1 ARG 16 12.525 1.998 -4.134 107 HG2 ARG 16 HG2 ARG 16 11.074 0.255 -3.718 108 HG3 ARG 16 HG1 ARG 16 11.806 -0.117 -2.156 109 HD2 ARG 16 HD2 ARG 16 9.452 0.964 -2.158 110 HD3 ARG 16 HD1 ARG 16 10.662 1.627 -1.065 111 HE ARG 16 HE ARG 16 10.743 3.564 -2.385 112 HH11 ARG 16 HH11 ARG 16 9.864 4.911 -3.991 113 HH12 ARG 16 HH12 ARG 16 8.759 4.257 -5.154 114 HH21 ARG 16 HH21 ARG 16 8.868 1.047 -3.841 115 HH22 ARG 16 HH22 ARG 16 8.193 2.068 -5.067 116 H SER 17 H SER 17 14.168 0.180 -5.550 117 HA SER 17 HA SER 17 12.765 -2.281 -5.607 118 HB2 SER 17 HB2 SER 17 12.925 -1.473 -7.742 119 HB3 SER 17 HB1 SER 17 14.504 -0.746 -7.459 120 HG SER 17 HG SER 17 14.160 -2.841 -8.801 121 H ILE 18 H ILE 18 16.218 -1.481 -5.443 122 HA ILE 18 HA ILE 18 17.134 -4.179 -5.397 123 HB ILE 18 HB ILE 18 18.584 -1.841 -4.164 124 HG12 ILE 18 HG12 ILE 18 17.710 -1.090 -6.332 125 HG13 ILE 18 HG11 ILE 18 19.449 -1.369 -6.450 126 HG21 ILE 18 HG21 ILE 18 20.526 -3.103 -5.204 127 HG22 ILE 18 HG22 ILE 18 19.386 -4.398 -5.571 128 HG23 ILE 18 HG23 ILE 18 19.703 -3.951 -3.895 129 HD11 ILE 18 HD11 ILE 18 18.638 -3.817 -7.139 130 HD12 ILE 18 HD12 ILE 18 18.758 -2.521 -8.330 131 HD13 ILE 18 HD13 ILE 18 17.193 -2.934 -7.630 132 H ARG 19 H ARG 19 14.949 -3.525 -3.520 133 HA ARG 19 HA ARG 19 14.298 -3.977 -1.372 134 HB2 ARG 19 HB2 ARG 19 16.456 -5.863 -2.010 135 HB3 ARG 19 HB1 ARG 19 16.214 -5.607 -0.283 136 HG2 ARG 19 HG2 ARG 19 13.924 -6.178 -2.175 137 HG3 ARG 19 HG1 ARG 19 14.800 -7.456 -1.333 138 HD2 ARG 19 HD2 ARG 19 13.497 -7.113 0.464 139 HD3 ARG 19 HD1 ARG 19 14.190 -5.501 0.618 140 HE ARG 19 HE ARG 19 12.151 -5.468 -1.351 141 HH11 ARG 19 HH11 ARG 19 10.142 -4.568 -0.787 142 HH12 ARG 19 HH12 ARG 19 9.709 -4.409 0.882 143 HH21 ARG 19 HH21 ARG 19 12.668 -5.781 2.056 144 HH22 ARG 19 HH22 ARG 19 11.139 -5.097 2.492 145 H ARG 20 H ARG 20 16.326 -1.780 -1.982 146 HA ARG 20 HA ARG 20 17.900 -1.562 0.430 147 HB2 ARG 20 HB2 ARG 20 17.858 -0.319 -2.128 148 HB3 ARG 20 HB1 ARG 20 17.638 0.951 -0.925 149 HG2 ARG 20 HG2 ARG 20 20.026 0.605 -1.302 150 HG3 ARG 20 HG1 ARG 20 19.606 0.056 0.320 151 HD2 ARG 20 HD2 ARG 20 19.364 -1.980 -1.814 152 HD3 ARG 20 HD1 ARG 20 21.006 -1.452 -1.457 153 HE ARG 20 HE ARG 20 20.000 -1.949 1.011 154 HH11 ARG 20 HH11 ARG 20 20.008 -3.994 2.013 155 HH12 ARG 20 HH12 ARG 20 20.024 -5.427 1.039 156 HH21 ARG 20 HH21 ARG 20 20.030 -3.705 -1.970 157 HH22 ARG 20 HH22 ARG 20 20.037 -5.263 -1.214 158 H ARG 21 H ARG 21 17.672 0.183 1.985 159 HA ARG 21 HA ARG 21 14.843 0.681 2.561 160 HB2 ARG 21 HB2 ARG 21 16.400 -0.290 4.287 161 HB3 ARG 21 HB1 ARG 21 17.218 1.273 4.326 162 HG2 ARG 21 HG2 ARG 21 15.044 2.361 4.872 163 HG3 ARG 21 HG1 ARG 21 14.288 0.768 4.924 164 HD2 ARG 21 HD2 ARG 21 16.340 0.296 6.586 165 HD3 ARG 21 HD1 ARG 21 16.184 2.032 6.844 166 HE ARG 21 HE ARG 21 14.192 1.624 7.960 167 HH11 ARG 21 HH11 ARG 21 12.527 0.293 8.740 168 HH12 ARG 21 HH12 ARG 21 12.392 -1.338 8.173 169 HH21 ARG 21 HH21 ARG 21 15.139 -1.114 6.067 170 HH22 ARG 21 HH22 ARG 21 13.871 -2.136 6.660 171 H GLY 22 H GLY 22 17.501 2.764 3.569 172 HA2 GLY 22 HA2 GLY 22 16.276 4.969 2.021 173 HA3 GLY 22 HA1 GLY 22 16.718 5.166 3.712 174 H GLY 23 H GLY 23 18.098 6.894 3.164 175 HA2 GLY 23 HA2 GLY 23 20.799 6.367 2.970 176 HA3 GLY 23 HA1 GLY 23 20.262 6.627 1.322 177 H TYR 24 H TYR 24 21.835 8.403 1.562 178 HA TYR 24 HA TYR 24 20.522 10.802 2.695 179 HB2 TYR 24 HB2 TYR 24 23.257 9.788 2.963 180 HB3 TYR 24 HB1 TYR 24 23.188 11.471 2.438 181 HD1 TYR 24 HD1 TYR 24 21.985 9.093 5.047 182 HD2 TYR 24 HD2 TYR 24 22.539 13.204 3.934 183 HE1 TYR 24 HE1 TYR 24 21.418 9.792 7.356 184 HE2 TYR 24 HE2 TYR 24 21.972 13.906 6.245 185 HH TYR 24 HH TYR 24 20.706 12.999 8.184 186 H CYS 25 H CYS 25 21.482 12.864 1.555 187 HA CYS 25 HA CYS 25 22.037 12.408 -1.274 188 HB2 CYS 25 HB2 CYS 25 20.114 13.448 -2.123 189 HB3 CYS 25 HB1 CYS 25 19.489 12.440 -0.820 190 H ASP 26 H ASP 26 23.348 13.926 -2.084 191 HA ASP 26 HA ASP 26 24.164 16.124 -0.353 192 HB2 ASP 26 HB2 ASP 26 25.214 14.950 -2.919 193 HB3 ASP 26 HB1 ASP 26 25.804 16.496 -2.314 194 H GLY 27 H GLY 27 22.147 17.327 -0.521 195 HA2 GLY 27 HA2 GLY 27 21.192 18.333 -3.012 196 HA3 GLY 27 HA1 GLY 27 20.787 18.963 -1.416 197 H PHE 28 H PHE 28 21.023 20.892 -3.162 198 HA PHE 28 HA PHE 28 22.088 22.914 -3.468 199 HB2 PHE 28 HB2 PHE 28 22.828 22.499 -1.056 200 HB3 PHE 28 HB1 PHE 28 24.338 21.895 -1.735 201 HD1 PHE 28 HD1 PHE 28 25.831 23.381 -3.027 202 HD2 PHE 28 HD2 PHE 28 22.272 24.853 -1.126 203 HE1 PHE 28 HE1 PHE 28 26.659 25.705 -3.279 204 HE2 PHE 28 HE2 PHE 28 23.099 27.177 -1.380 205 HZ PHE 28 HZ PHE 28 25.293 27.603 -2.454 206 H LEU 29 H LEU 29 23.740 19.902 -3.927 207 HA LEU 29 HA LEU 29 25.467 21.164 -5.971 208 HB2 LEU 29 HB2 LEU 29 25.872 18.798 -4.167 209 HB3 LEU 29 HB1 LEU 29 26.737 18.901 -5.701 210 HG LEU 29 HG LEU 29 26.743 21.355 -4.028 211 HD11 LEU 29 HD11 LEU 29 28.656 20.434 -2.678 212 HD12 LEU 29 HD12 LEU 29 28.254 18.831 -3.294 213 HD13 LEU 29 HD13 LEU 29 27.098 19.705 -2.288 214 HD21 LEU 29 HD21 LEU 29 28.812 19.822 -5.636 215 HD22 LEU 29 HD22 LEU 29 29.110 21.367 -4.839 216 HD23 LEU 29 HD23 LEU 29 27.941 21.265 -6.157 217 H LYS 30 H LYS 30 22.620 19.705 -5.783 218 HA LYS 30 HA LYS 30 21.503 18.049 -7.020 219 HB2 LYS 30 HB2 LYS 30 22.672 19.539 -9.353 220 HB3 LYS 30 HB1 LYS 30 21.028 18.936 -9.128 221 HG2 LYS 30 HG2 LYS 30 20.801 20.599 -7.219 222 HG3 LYS 30 HG1 LYS 30 22.330 21.300 -7.754 223 HD2 LYS 30 HD2 LYS 30 21.306 22.413 -9.423 224 HD3 LYS 30 HD1 LYS 30 20.550 20.930 -10.009 225 HE2 LYS 30 HE2 LYS 30 19.526 22.729 -7.795 226 HE3 LYS 30 HE1 LYS 30 18.795 22.489 -9.383 227 HZ1 LYS 30 HZ1 LYS 30 18.547 20.116 -8.808 228 HZ2 LYS 30 HZ2 LYS 30 17.653 21.143 -7.792 229 HZ3 LYS 30 HZ3 LYS 30 19.107 20.454 -7.243 230 H GLN 31 H GLN 31 23.998 17.013 -6.258 231 HA GLN 31 HA GLN 31 25.375 15.966 -8.561 232 HB2 GLN 31 HB2 GLN 31 25.681 15.881 -5.641 233 HB3 GLN 31 HB1 GLN 31 26.151 14.388 -6.454 234 HG2 GLN 31 HG2 GLN 31 27.071 17.057 -7.501 235 HG3 GLN 31 HG1 GLN 31 27.937 16.263 -6.187 236 HE21 GLN 31 HE21 GLN 31 29.816 15.596 -7.337 237 HE22 GLN 31 HE22 GLN 31 29.767 14.526 -8.653 238 H ARG 32 H ARG 32 24.122 14.023 -5.883 239 HA ARG 32 HA ARG 32 22.051 12.663 -7.077 240 HB2 ARG 32 HB2 ARG 32 23.333 11.904 -8.903 241 HB3 ARG 32 HB1 ARG 32 24.743 11.585 -7.893 242 HG2 ARG 32 HG2 ARG 32 23.653 9.707 -6.840 243 HG3 ARG 32 HG1 ARG 32 22.121 10.094 -7.626 244 HD2 ARG 32 HD2 ARG 32 24.368 9.784 -9.497 245 HD3 ARG 32 HD1 ARG 32 23.985 8.317 -8.603 246 HE ARG 32 HE ARG 32 21.720 9.697 -9.825 247 HH11 ARG 32 HH11 ARG 32 20.599 8.453 -11.365 248 HH12 ARG 32 HH12 ARG 32 21.287 6.971 -11.940 249 HH21 ARG 32 HH21 ARG 32 24.143 7.233 -9.990 250 HH22 ARG 32 HH22 ARG 32 23.294 6.280 -11.161 251 H CYS 33 H CYS 33 21.169 11.326 -5.586 252 HA CYS 33 HA CYS 33 22.622 10.927 -3.100 253 HB2 CYS 33 HB2 CYS 33 20.133 9.594 -3.006 254 HB3 CYS 33 HB1 CYS 33 20.555 11.137 -2.271 255 H VAL 34 H VAL 34 22.445 8.755 -2.016 256 HA VAL 34 HA VAL 34 22.436 6.475 -3.843 257 HB VAL 34 HB VAL 34 24.864 7.362 -2.281 258 HG11 VAL 34 HG11 VAL 34 25.845 5.177 -3.015 259 HG12 VAL 34 HG12 VAL 34 24.242 4.681 -3.554 260 HG13 VAL 34 HG13 VAL 34 24.540 4.991 -1.843 261 HG21 VAL 34 HG21 VAL 34 25.942 7.128 -4.496 262 HG22 VAL 34 HG22 VAL 34 24.597 8.268 -4.566 263 HG23 VAL 34 HG23 VAL 34 24.399 6.631 -5.192 264 H CYS 35 H CYS 35 20.824 5.446 -2.799 265 HA CYS 35 HA CYS 35 19.949 5.324 -0.305 266 HB2 CYS 35 HB2 CYS 35 19.797 2.727 -0.647 267 HB3 CYS 35 HB1 CYS 35 18.897 3.811 -1.711 268 H TYR 36 H TYR 36 20.621 4.857 1.698 269 HA TYR 36 HA TYR 36 23.057 4.811 2.703 270 HB2 TYR 36 HB2 TYR 36 20.804 4.285 3.883 271 HB3 TYR 36 HB1 TYR 36 21.252 2.594 3.629 272 HD1 TYR 36 HD1 TYR 36 22.720 1.526 5.115 273 HD2 TYR 36 HD2 TYR 36 22.585 5.818 4.994 274 HE1 TYR 36 HE1 TYR 36 24.233 1.629 7.076 275 HE2 TYR 36 HE2 TYR 36 24.100 5.921 6.955 276 HH TYR 36 HH TYR 36 25.994 3.616 7.936 277 H ARG 37 H ARG 37 21.568 1.697 1.778 278 HA ARG 37 HA ARG 37 24.194 0.446 1.686 279 HB2 ARG 37 HB2 ARG 37 21.508 -0.763 1.005 280 HB3 ARG 37 HB1 ARG 37 22.999 -1.621 1.383 281 HG2 ARG 37 HG2 ARG 37 22.116 -1.694 3.482 282 HG3 ARG 37 HG1 ARG 37 22.771 -0.062 3.596 283 HD2 ARG 37 HD2 ARG 37 20.530 0.745 2.676 284 HD3 ARG 37 HD1 ARG 37 19.938 -0.888 2.953 285 HE ARG 37 HE ARG 37 21.082 0.743 5.145 286 HH11 ARG 37 HH11 ARG 37 19.904 0.583 7.071 287 HH12 ARG 37 HH12 ARG 37 18.436 -0.335 7.113 288 HH21 ARG 37 HH21 ARG 37 18.593 -1.260 3.779 289 HH22 ARG 37 HH22 ARG 37 17.700 -1.376 5.255 290 H LYS 38 H LYS 38 25.400 0.682 -0.090 291 HA LYS 38 HA LYS 38 24.484 1.582 -2.584 292 HB2 LYS 38 HB2 LYS 38 26.852 1.669 -1.857 293 HB3 LYS 38 HB1 LYS 38 26.946 -0.086 -2.016 294 HG2 LYS 38 HG2 LYS 38 27.003 -0.009 -4.297 295 HG3 LYS 38 HG1 LYS 38 25.878 1.348 -4.378 296 HD2 LYS 38 HD2 LYS 38 27.707 2.856 -3.589 297 HD3 LYS 38 HD1 LYS 38 28.819 1.488 -3.658 298 HE2 LYS 38 HE2 LYS 38 27.275 1.804 -6.125 299 HE3 LYS 38 HE1 LYS 38 28.260 3.219 -5.756 300 HZ1 LYS 38 HZ1 LYS 38 29.354 1.375 -7.070 301 HZ2 LYS 38 HZ2 LYS 38 29.351 0.472 -5.631 302 HZ3 LYS 38 HZ3 LYS 38 30.201 1.941 -5.714 Start of MODEL 18 1 H1 GLY 1 H1 GLY 1 23.054 16.977 -4.273 2 HA2 GLY 1 HA2 GLY 1 20.416 17.754 -5.353 3 HA3 GLY 1 HA1 GLY 1 21.947 17.874 -6.216 4 H PHE 2 H PHE 2 20.256 16.750 -7.743 5 HA PHE 2 HA PHE 2 19.855 14.878 -9.014 6 HB2 PHE 2 HB2 PHE 2 22.328 14.473 -8.474 7 HB3 PHE 2 HB1 PHE 2 21.748 13.361 -7.232 8 HD1 PHE 2 HD1 PHE 2 21.226 14.165 -10.857 9 HD2 PHE 2 HD2 PHE 2 21.328 11.135 -7.814 10 HE1 PHE 2 HE1 PHE 2 20.871 12.420 -12.583 11 HE2 PHE 2 HE2 PHE 2 20.974 9.389 -9.542 12 HZ PHE 2 HZ PHE 2 20.745 10.033 -11.925 13 H GLY 3 H GLY 3 19.717 14.719 -5.563 14 HA2 GLY 3 HA2 GLY 3 17.321 13.039 -5.741 15 HA3 GLY 3 HA1 GLY 3 18.641 12.477 -4.724 16 H CYS 4 H CYS 4 17.803 12.725 -2.710 17 HA CYS 4 HA CYS 4 16.048 14.601 -1.780 18 HB2 CYS 4 HB2 CYS 4 16.451 13.305 0.020 19 HB3 CYS 4 HB1 CYS 4 18.060 12.866 -0.548 20 HA PRO 5 HA PRO 5 15.743 15.706 0.012 21 HB2 PRO 5 HB2 PRO 5 14.966 18.161 0.845 22 HB3 PRO 5 HB1 PRO 5 16.326 17.301 1.590 23 HG2 PRO 5 HG2 PRO 5 16.340 19.630 -0.202 24 HG3 PRO 5 HG1 PRO 5 17.543 19.103 0.983 25 HD2 PRO 5 HD2 PRO 5 17.598 18.704 -1.865 26 HD3 PRO 5 HD1 PRO 5 18.782 18.137 -0.666 27 H PHE 6 H PHE 6 16.156 17.717 -2.683 28 HA PHE 6 HA PHE 6 13.536 18.603 -3.220 29 HB2 PHE 6 HB2 PHE 6 15.475 17.868 -5.393 30 HB3 PHE 6 HB1 PHE 6 14.347 19.219 -5.323 31 HD1 PHE 6 HD1 PHE 6 14.958 20.109 -2.468 32 HD2 PHE 6 HD2 PHE 6 17.517 19.067 -5.759 33 HE1 PHE 6 HE1 PHE 6 16.746 21.558 -1.540 34 HE2 PHE 6 HE2 PHE 6 19.302 20.514 -4.829 35 HZ PHE 6 HZ PHE 6 18.917 21.760 -2.720 36 H ASN 7 H ASN 7 15.225 16.117 -5.123 37 HA ASN 7 HA ASN 7 12.652 14.692 -5.399 38 HB2 ASN 7 HB2 ASN 7 13.945 13.644 -7.402 39 HB3 ASN 7 HB1 ASN 7 13.319 15.285 -7.555 40 HD21 ASN 7 HD21 ASN 7 15.734 14.033 -8.886 41 HD22 ASN 7 HD22 ASN 7 17.034 15.039 -8.463 42 H GLN 8 H GLN 8 13.297 13.807 -3.185 43 HA GLN 8 HA GLN 8 15.470 11.978 -2.967 44 HB2 GLN 8 HB2 GLN 8 14.228 13.084 -1.054 45 HB3 GLN 8 HB1 GLN 8 12.922 11.935 -1.343 46 HG2 GLN 8 HG2 GLN 8 14.517 10.063 -1.028 47 HG3 GLN 8 HG1 GLN 8 15.797 11.228 -0.687 48 HE21 GLN 8 HE21 GLN 8 12.795 12.346 0.493 49 HE22 GLN 8 HE22 GLN 8 12.990 11.870 2.110 50 H GLY 9 H GLY 9 11.982 11.522 -3.533 51 HA2 GLY 9 HA2 GLY 9 11.789 8.786 -3.591 52 HA3 GLY 9 HA1 GLY 9 10.865 9.836 -4.655 53 H LYS 10 H LYS 10 12.939 10.903 -6.209 54 HA LYS 10 HA LYS 10 13.232 8.968 -8.205 55 HB2 LYS 10 HB2 LYS 10 13.489 11.425 -8.542 56 HB3 LYS 10 HB1 LYS 10 15.038 11.349 -7.711 57 HG2 LYS 10 HG2 LYS 10 14.682 9.401 -9.909 58 HG3 LYS 10 HG1 LYS 10 14.778 11.095 -10.387 59 HD2 LYS 10 HD2 LYS 10 16.869 11.340 -9.084 60 HD3 LYS 10 HD1 LYS 10 16.791 9.628 -8.662 61 HE2 LYS 10 HE2 LYS 10 16.782 10.569 -11.534 62 HE3 LYS 10 HE1 LYS 10 18.280 10.250 -10.661 63 HZ1 LYS 10 HZ1 LYS 10 17.028 8.035 -10.090 64 HZ2 LYS 10 HZ2 LYS 10 17.886 8.209 -11.548 65 HZ3 LYS 10 HZ3 LYS 10 16.196 8.386 -11.526 66 H CYS 11 H CYS 11 15.032 9.539 -5.322 67 HA CYS 11 HA CYS 11 17.084 7.600 -6.192 68 HB2 CYS 11 HB2 CYS 11 17.638 10.034 -5.307 69 HB3 CYS 11 HB1 CYS 11 17.431 9.259 -3.734 70 H HIS 12 H HIS 12 14.501 8.215 -3.981 71 HA HIS 12 HA HIS 12 15.290 6.053 -2.184 72 HB2 HIS 12 HB2 HIS 12 13.453 8.308 -2.087 73 HB3 HIS 12 HB1 HIS 12 12.676 6.815 -1.562 74 HD1 HIS 12 HD1 HIS 12 12.740 7.065 0.952 75 HD2 HIS 12 HD2 HIS 12 16.454 7.797 -0.797 76 HE1 HIS 12 HE1 HIS 12 14.395 7.301 2.855 77 HE2 HIS 12 HE2 HIS 12 16.664 7.745 1.804 78 H ARG 13 H ARG 13 13.284 6.617 -4.939 79 HA ARG 13 HA ARG 13 11.750 4.161 -4.575 80 HB2 ARG 13 HB2 ARG 13 11.799 6.182 -6.832 81 HB3 ARG 13 HB1 ARG 13 10.696 4.809 -6.722 82 HG2 ARG 13 HG2 ARG 13 9.891 5.699 -4.523 83 HG3 ARG 13 HG1 ARG 13 10.898 7.125 -4.777 84 HD2 ARG 13 HD2 ARG 13 8.877 6.241 -6.834 85 HD3 ARG 13 HD1 ARG 13 8.421 7.280 -5.487 86 HE ARG 13 HE ARG 13 10.724 8.268 -6.899 87 HH11 ARG 13 HH11 ARG 13 10.414 10.160 -8.117 88 HH12 ARG 13 HH12 ARG 13 8.809 10.677 -8.510 89 HH21 ARG 13 HH21 ARG 13 7.271 8.027 -6.889 90 HH22 ARG 13 HH22 ARG 13 7.030 9.472 -7.814 91 H HIS 14 H HIS 14 14.354 5.457 -6.566 92 HA HIS 14 HA HIS 14 14.598 3.364 -8.420 93 HB2 HIS 14 HB2 HIS 14 15.836 5.701 -8.170 94 HB3 HIS 14 HB1 HIS 14 17.051 4.704 -7.365 95 HD1 HIS 14 HD1 HIS 14 16.184 2.186 -9.338 96 HD2 HIS 14 HD2 HIS 14 17.649 5.935 -10.420 97 HE1 HIS 14 HE1 HIS 14 17.198 1.920 -11.644 98 HE2 HIS 14 HE2 HIS 14 18.104 4.196 -12.315 99 H CYS 15 H CYS 15 16.402 3.865 -5.374 100 HA CYS 15 HA CYS 15 17.680 1.326 -5.468 101 HB2 CYS 15 HB2 CYS 15 18.081 3.573 -4.007 102 HB3 CYS 15 HB1 CYS 15 17.264 2.553 -2.815 103 H ARG 16 H ARG 16 14.792 2.538 -3.793 104 HA ARG 16 HA ARG 16 14.111 0.468 -2.165 105 HB2 ARG 16 HB2 ARG 16 12.645 2.363 -2.334 106 HB3 ARG 16 HB1 ARG 16 12.314 2.023 -4.034 107 HG2 ARG 16 HG2 ARG 16 11.137 0.001 -3.485 108 HG3 ARG 16 HG1 ARG 16 11.665 0.084 -1.803 109 HD2 ARG 16 HD2 ARG 16 9.344 0.861 -2.007 110 HD3 ARG 16 HD1 ARG 16 10.396 2.184 -1.514 111 HE ARG 16 HE ARG 16 10.254 2.239 -4.305 112 HH11 ARG 16 HH11 ARG 16 8.819 3.655 -5.337 113 HH12 ARG 16 HH12 ARG 16 7.443 4.266 -4.480 114 HH21 ARG 16 HH21 ARG 16 8.180 2.562 -1.552 115 HH22 ARG 16 HH22 ARG 16 7.080 3.645 -2.337 116 H SER 17 H SER 17 13.607 0.608 -5.684 117 HA SER 17 HA SER 17 12.317 -1.849 -6.016 118 HB2 SER 17 HB2 SER 17 13.804 0.016 -7.728 119 HB3 SER 17 HB1 SER 17 13.900 -1.659 -8.261 120 HG SER 17 HG SER 17 11.650 -0.002 -7.910 121 H ILE 18 H ILE 18 15.704 -1.040 -5.591 122 HA ILE 18 HA ILE 18 16.649 -3.721 -6.110 123 HB ILE 18 HB ILE 18 18.166 -1.600 -4.600 124 HG12 ILE 18 HG12 ILE 18 17.134 -0.580 -6.633 125 HG13 ILE 18 HG11 ILE 18 18.891 -0.676 -6.744 126 HG21 ILE 18 HG21 ILE 18 18.869 -3.913 -6.420 127 HG22 ILE 18 HG22 ILE 18 19.292 -3.711 -4.720 128 HG23 ILE 18 HG23 ILE 18 20.041 -2.685 -5.942 129 HD11 ILE 18 HD11 ILE 18 16.877 -2.540 -8.031 130 HD12 ILE 18 HD12 ILE 18 18.614 -2.845 -8.007 131 HD13 ILE 18 HD13 ILE 18 17.978 -1.435 -8.851 132 H ARG 19 H ARG 19 14.595 -2.965 -3.936 133 HA ARG 19 HA ARG 19 13.974 -3.914 -1.939 134 HB2 ARG 19 HB2 ARG 19 16.607 -5.373 -1.851 135 HB3 ARG 19 HB1 ARG 19 15.050 -5.861 -1.178 136 HG2 ARG 19 HG2 ARG 19 14.245 -5.759 -3.671 137 HG3 ARG 19 HG1 ARG 19 15.964 -5.893 -4.040 138 HD2 ARG 19 HD2 ARG 19 15.678 -7.841 -2.143 139 HD3 ARG 19 HD1 ARG 19 14.109 -7.910 -2.940 140 HE ARG 19 HE ARG 19 15.818 -7.888 -5.037 141 HH11 ARG 19 HH11 ARG 19 16.812 -9.732 -5.916 142 HH12 ARG 19 HH12 ARG 19 17.078 -11.124 -4.918 143 HH21 ARG 19 HH21 ARG 19 15.677 -9.690 -2.088 144 HH22 ARG 19 HH22 ARG 19 16.434 -11.101 -2.751 145 H ARG 20 H ARG 20 15.750 -1.494 -2.273 146 HA ARG 20 HA ARG 20 17.246 -1.458 0.231 147 HB2 ARG 20 HB2 ARG 20 17.363 -0.055 -2.267 148 HB3 ARG 20 HB1 ARG 20 17.163 1.117 -0.965 149 HG2 ARG 20 HG2 ARG 20 19.506 0.801 -1.126 150 HG3 ARG 20 HG1 ARG 20 19.026 -0.188 0.250 151 HD2 ARG 20 HD2 ARG 20 18.692 -1.966 -1.782 152 HD3 ARG 20 HD1 ARG 20 20.032 -1.012 -2.408 153 HE ARG 20 HE ARG 20 20.908 -1.521 0.062 154 HH11 ARG 20 HH11 ARG 20 21.928 -3.426 0.762 155 HH12 ARG 20 HH12 ARG 20 21.570 -4.931 -0.018 156 HH21 ARG 20 HH21 ARG 20 19.318 -3.540 -2.257 157 HH22 ARG 20 HH22 ARG 20 20.092 -4.996 -1.726 158 H ARG 21 H ARG 21 16.898 0.238 1.819 159 HA ARG 21 HA ARG 21 14.058 1.041 1.967 160 HB2 ARG 21 HB2 ARG 21 14.869 -0.662 3.655 161 HB3 ARG 21 HB1 ARG 21 15.911 0.599 4.312 162 HG2 ARG 21 HG2 ARG 21 13.925 2.040 4.658 163 HG3 ARG 21 HG1 ARG 21 12.895 0.740 4.062 164 HD2 ARG 21 HD2 ARG 21 13.632 -0.719 5.885 165 HD3 ARG 21 HD1 ARG 21 14.736 0.528 6.460 166 HE ARG 21 HE ARG 21 12.281 1.753 6.453 167 HH11 ARG 21 HH11 ARG 21 10.894 1.734 8.248 168 HH12 ARG 21 HH12 ARG 21 11.019 0.468 9.422 169 HH21 ARG 21 HH21 ARG 21 13.618 -1.146 7.787 170 HH22 ARG 21 HH22 ARG 21 12.563 -1.165 9.160 171 H GLY 22 H GLY 22 16.696 2.056 4.066 172 HA2 GLY 22 HA2 GLY 22 15.974 4.815 3.811 173 HA3 GLY 22 HA1 GLY 22 17.334 4.172 4.722 174 H GLY 23 H GLY 23 17.483 6.527 3.221 175 HA2 GLY 23 HA2 GLY 23 19.769 5.938 1.586 176 HA3 GLY 23 HA1 GLY 23 18.385 6.474 0.639 177 H TYR 24 H TYR 24 20.459 8.087 0.416 178 HA TYR 24 HA TYR 24 19.564 10.494 1.761 179 HB2 TYR 24 HB2 TYR 24 22.141 9.151 2.449 180 HB3 TYR 24 HB1 TYR 24 22.085 10.912 2.410 181 HD1 TYR 24 HD1 TYR 24 20.794 12.173 4.026 182 HD2 TYR 24 HD2 TYR 24 20.716 7.878 4.016 183 HE1 TYR 24 HE1 TYR 24 19.707 12.188 6.254 184 HE2 TYR 24 HE2 TYR 24 19.626 7.893 6.245 185 HH TYR 24 HH TYR 24 19.500 10.632 8.207 186 H CYS 25 H CYS 25 20.309 12.381 0.856 187 HA CYS 25 HA CYS 25 21.031 12.240 -1.938 188 HB2 CYS 25 HB2 CYS 25 21.058 14.854 -1.432 189 HB3 CYS 25 HB1 CYS 25 19.539 13.971 -1.530 190 H ASP 26 H ASP 26 22.828 13.573 -2.824 191 HA ASP 26 HA ASP 26 25.058 14.030 -0.983 192 HB2 ASP 26 HB2 ASP 26 24.896 11.705 -2.593 193 HB3 ASP 26 HB1 ASP 26 26.104 12.754 -3.332 194 H GLY 27 H GLY 27 25.417 16.116 -1.341 195 HA2 GLY 27 HA2 GLY 27 26.654 17.652 -2.805 196 HA3 GLY 27 HA1 GLY 27 25.688 17.036 -4.139 197 H PHE 28 H PHE 28 24.833 19.058 -4.698 198 HA PHE 28 HA PHE 28 22.586 19.911 -3.056 199 HB2 PHE 28 HB2 PHE 28 24.563 21.190 -2.191 200 HB3 PHE 28 HB1 PHE 28 24.746 21.893 -3.798 201 HD1 PHE 28 HD1 PHE 28 22.899 23.286 -4.767 202 HD2 PHE 28 HD2 PHE 28 22.865 21.948 -0.686 203 HE1 PHE 28 HE1 PHE 28 21.190 24.995 -4.224 204 HE2 PHE 28 HE2 PHE 28 21.152 23.657 -0.142 205 HZ PHE 28 HZ PHE 28 20.315 25.182 -1.910 206 H LEU 29 H LEU 29 24.558 20.356 -5.957 207 HA LEU 29 HA LEU 29 22.125 21.233 -7.393 208 HB2 LEU 29 HB2 LEU 29 24.479 21.773 -8.917 209 HB3 LEU 29 HB1 LEU 29 23.333 22.922 -8.225 210 HG LEU 29 HG LEU 29 24.567 22.619 -6.013 211 HD11 LEU 29 HD11 LEU 29 25.907 20.650 -7.577 212 HD12 LEU 29 HD12 LEU 29 26.205 21.087 -5.895 213 HD13 LEU 29 HD13 LEU 29 27.083 21.907 -7.187 214 HD21 LEU 29 HD21 LEU 29 25.192 24.191 -8.326 215 HD22 LEU 29 HD22 LEU 29 26.703 23.761 -7.524 216 HD23 LEU 29 HD23 LEU 29 25.437 24.600 -6.627 217 H LYS 30 H LYS 30 21.335 19.307 -8.101 218 HA LYS 30 HA LYS 30 21.411 17.146 -9.028 219 HB2 LYS 30 HB2 LYS 30 22.577 18.532 -11.402 220 HB3 LYS 30 HB1 LYS 30 21.204 17.428 -11.306 221 HG2 LYS 30 HG2 LYS 30 20.024 19.271 -9.962 222 HG3 LYS 30 HG1 LYS 30 21.309 20.342 -10.518 223 HD2 LYS 30 HD2 LYS 30 20.625 20.242 -12.732 224 HD3 LYS 30 HD1 LYS 30 19.870 18.659 -12.537 225 HE2 LYS 30 HE2 LYS 30 18.754 20.987 -11.015 226 HE3 LYS 30 HE1 LYS 30 18.376 20.833 -12.730 227 HZ1 LYS 30 HZ1 LYS 30 16.903 19.678 -10.935 228 HZ2 LYS 30 HZ2 LYS 30 18.103 18.476 -11.007 229 HZ3 LYS 30 HZ3 LYS 30 17.234 18.901 -12.404 230 H GLN 31 H GLN 31 23.469 16.873 -7.487 231 HA GLN 31 HA GLN 31 25.895 16.403 -9.066 232 HB2 GLN 31 HB2 GLN 31 25.348 16.185 -6.100 233 HB3 GLN 31 HB1 GLN 31 26.907 15.860 -6.855 234 HG2 GLN 31 HG2 GLN 31 26.249 18.318 -7.913 235 HG3 GLN 31 HG1 GLN 31 25.619 18.434 -6.270 236 HE21 GLN 31 HE21 GLN 31 27.286 19.830 -5.446 237 HE22 GLN 31 HE22 GLN 31 28.901 19.331 -5.307 238 H ARG 32 H ARG 32 24.439 14.486 -6.430 239 HA ARG 32 HA ARG 32 23.680 12.256 -7.933 240 HB2 ARG 32 HB2 ARG 32 26.529 12.509 -7.681 241 HB3 ARG 32 HB1 ARG 32 25.991 11.091 -6.779 242 HG2 ARG 32 HG2 ARG 32 24.765 10.284 -8.754 243 HG3 ARG 32 HG1 ARG 32 25.269 11.709 -9.659 244 HD2 ARG 32 HD2 ARG 32 26.783 9.271 -8.998 245 HD3 ARG 32 HD1 ARG 32 27.006 10.408 -10.324 246 HE ARG 32 HE ARG 32 27.825 11.367 -7.695 247 HH11 ARG 32 HH11 ARG 32 30.044 11.835 -7.517 248 HH12 ARG 32 HH12 ARG 32 31.133 11.325 -8.764 249 HH21 ARG 32 HH21 ARG 32 28.665 9.840 -10.687 250 HH22 ARG 32 HH22 ARG 32 30.354 10.198 -10.555 251 H CYS 33 H CYS 33 23.072 10.458 -6.635 252 HA CYS 33 HA CYS 33 23.197 10.889 -3.712 253 HB2 CYS 33 HB2 CYS 33 20.835 10.274 -3.536 254 HB3 CYS 33 HB1 CYS 33 21.026 11.700 -4.560 255 H VAL 34 H VAL 34 22.576 8.873 -2.506 256 HA VAL 34 HA VAL 34 22.691 6.358 -3.935 257 HB VAL 34 HB VAL 34 25.009 7.265 -2.220 258 HG11 VAL 34 HG11 VAL 34 24.694 5.090 -1.429 259 HG12 VAL 34 HG12 VAL 34 25.748 4.808 -2.815 260 HG13 VAL 34 HG13 VAL 34 24.013 4.527 -2.955 261 HG21 VAL 34 HG21 VAL 34 25.300 7.868 -4.523 262 HG22 VAL 34 HG22 VAL 34 24.674 6.315 -5.077 263 HG23 VAL 34 HG23 VAL 34 26.246 6.399 -4.281 264 H CYS 35 H CYS 35 21.299 5.089 -2.916 265 HA CYS 35 HA CYS 35 20.012 5.630 -0.543 266 HB2 CYS 35 HB2 CYS 35 19.919 2.914 -0.563 267 HB3 CYS 35 HB1 CYS 35 18.897 3.944 -1.573 268 H TYR 36 H TYR 36 20.076 4.080 1.434 269 HA TYR 36 HA TYR 36 22.579 4.464 2.744 270 HB2 TYR 36 HB2 TYR 36 20.274 4.386 3.829 271 HB3 TYR 36 HB1 TYR 36 20.367 2.629 3.672 272 HD1 TYR 36 HD1 TYR 36 21.510 1.356 5.290 273 HD2 TYR 36 HD2 TYR 36 22.260 5.574 5.000 274 HE1 TYR 36 HE1 TYR 36 22.913 1.246 7.331 275 HE2 TYR 36 HE2 TYR 36 23.662 5.464 7.043 276 HH TYR 36 HH TYR 36 24.948 3.813 8.304 277 H ARG 37 H ARG 37 20.883 1.349 2.547 278 HA ARG 37 HA ARG 37 23.230 -0.194 2.781 279 HB2 ARG 37 HB2 ARG 37 20.530 -0.963 1.643 280 HB3 ARG 37 HB1 ARG 37 21.801 -2.096 2.101 281 HG2 ARG 37 HG2 ARG 37 20.696 -2.105 4.099 282 HG3 ARG 37 HG1 ARG 37 21.627 -0.634 4.381 283 HD2 ARG 37 HD2 ARG 37 19.583 0.482 3.097 284 HD3 ARG 37 HD1 ARG 37 18.738 -0.950 3.674 285 HE ARG 37 HE ARG 37 19.700 1.258 5.289 286 HH11 ARG 37 HH11 ARG 37 19.129 1.156 7.487 287 HH12 ARG 37 HH12 ARG 37 18.537 -0.330 8.152 288 HH21 ARG 37 HH21 ARG 37 18.772 -2.071 5.161 289 HH22 ARG 37 HH22 ARG 37 18.336 -2.159 6.835 290 H LYS 38 H LYS 38 24.714 -0.822 1.334 291 HA LYS 38 HA LYS 38 24.727 0.229 -1.308 292 HB2 LYS 38 HB2 LYS 38 26.691 -0.584 0.280 293 HB3 LYS 38 HB1 LYS 38 26.447 -2.104 -0.583 294 HG2 LYS 38 HG2 LYS 38 27.935 -1.112 -2.037 295 HG3 LYS 38 HG1 LYS 38 26.436 -0.453 -2.693 296 HD2 LYS 38 HD2 LYS 38 26.818 1.454 -0.933 297 HD3 LYS 38 HD1 LYS 38 28.489 0.891 -0.954 298 HE2 LYS 38 HE2 LYS 38 28.428 1.104 -3.477 299 HE3 LYS 38 HE1 LYS 38 26.865 1.903 -3.301 300 HZ1 LYS 38 HZ1 LYS 38 28.369 3.230 -1.522 301 HZ2 LYS 38 HZ2 LYS 38 28.103 3.741 -3.121 302 HZ3 LYS 38 HZ3 LYS 38 29.517 2.889 -2.723 Start of MODEL 19 1 H1 GLY 1 H1 GLY 1 22.028 16.492 -4.280 2 HA2 GLY 1 HA2 GLY 1 23.543 17.062 -6.755 3 HA3 GLY 1 HA1 GLY 1 23.481 15.424 -6.115 4 H PHE 2 H PHE 2 22.352 14.445 -7.742 5 HA PHE 2 HA PHE 2 20.476 15.008 -9.456 6 HB2 PHE 2 HB2 PHE 2 21.104 12.676 -8.333 7 HB3 PHE 2 HB1 PHE 2 19.541 12.908 -7.554 8 HD1 PHE 2 HD1 PHE 2 18.386 14.567 -9.975 9 HD2 PHE 2 HD2 PHE 2 20.355 10.763 -9.650 10 HE1 PHE 2 HE1 PHE 2 17.249 13.804 -12.035 11 HE2 PHE 2 HE2 PHE 2 19.215 10.000 -11.716 12 HZ PHE 2 HZ PHE 2 17.662 11.520 -12.908 13 H GLY 3 H GLY 3 19.389 14.397 -6.107 14 HA2 GLY 3 HA2 GLY 3 17.450 16.589 -6.384 15 HA3 GLY 3 HA1 GLY 3 16.847 14.981 -6.002 16 H CYS 4 H CYS 4 16.118 15.327 -3.982 17 HA CYS 4 HA CYS 4 16.130 15.676 -1.722 18 HB2 CYS 4 HB2 CYS 4 18.941 15.325 -1.216 19 HB3 CYS 4 HB1 CYS 4 17.601 14.269 -0.787 20 HA PRO 5 HA PRO 5 16.500 16.079 0.359 21 HB2 PRO 5 HB2 PRO 5 15.485 18.316 1.849 22 HB3 PRO 5 HB1 PRO 5 16.786 17.205 2.304 23 HG2 PRO 5 HG2 PRO 5 17.097 19.886 1.710 24 HG3 PRO 5 HG1 PRO 5 18.386 18.674 1.724 25 HD2 PRO 5 HD2 PRO 5 16.943 19.858 -0.609 26 HD3 PRO 5 HD1 PRO 5 18.621 19.282 -0.490 27 H PHE 6 H PHE 6 15.405 18.490 -1.717 28 HA PHE 6 HA PHE 6 12.599 18.436 -1.104 29 HB2 PHE 6 HB2 PHE 6 13.742 19.263 -3.755 30 HB3 PHE 6 HB1 PHE 6 12.353 19.922 -2.892 31 HD1 PHE 6 HD1 PHE 6 13.942 19.851 -0.136 32 HD2 PHE 6 HD2 PHE 6 14.735 21.511 -4.018 33 HE1 PHE 6 HE1 PHE 6 15.398 21.568 0.897 34 HE2 PHE 6 HE2 PHE 6 16.194 23.230 -2.983 35 HZ PHE 6 HZ PHE 6 16.524 23.259 -0.526 36 H ASN 7 H ASN 7 14.425 17.273 -3.953 37 HA ASN 7 HA ASN 7 12.191 15.503 -4.613 38 HB2 ASN 7 HB2 ASN 7 13.737 17.031 -6.207 39 HB3 ASN 7 HB1 ASN 7 14.630 15.515 -6.289 40 HD21 ASN 7 HD21 ASN 7 13.912 14.154 -7.923 41 HD22 ASN 7 HD22 ASN 7 12.330 14.117 -8.536 42 H GLN 8 H GLN 8 13.250 14.563 -2.335 43 HA GLN 8 HA GLN 8 15.413 12.728 -2.710 44 HB2 GLN 8 HB2 GLN 8 14.679 13.665 -0.491 45 HB3 GLN 8 HB1 GLN 8 13.257 12.625 -0.591 46 HG2 GLN 8 HG2 GLN 8 14.480 10.685 -0.305 47 HG3 GLN 8 HG1 GLN 8 15.938 11.374 -1.014 48 HE21 GLN 8 HE21 GLN 8 17.541 11.686 0.526 49 HE22 GLN 8 HE22 GLN 8 17.267 12.094 2.151 50 H GLY 9 H GLY 9 11.928 12.554 -3.034 51 HA2 GLY 9 HA2 GLY 9 11.465 9.829 -3.025 52 HA3 GLY 9 HA1 GLY 9 10.585 10.970 -4.030 53 H LYS 10 H LYS 10 12.641 11.837 -5.725 54 HA LYS 10 HA LYS 10 12.647 9.798 -7.671 55 HB2 LYS 10 HB2 LYS 10 12.933 12.204 -8.205 56 HB3 LYS 10 HB1 LYS 10 14.524 12.166 -7.445 57 HG2 LYS 10 HG2 LYS 10 15.023 11.838 -9.719 58 HG3 LYS 10 HG1 LYS 10 15.003 10.195 -9.078 59 HD2 LYS 10 HD2 LYS 10 12.859 9.746 -9.977 60 HD3 LYS 10 HD1 LYS 10 12.520 11.457 -10.238 61 HE2 LYS 10 HE2 LYS 10 13.795 11.563 -12.160 62 HE3 LYS 10 HE1 LYS 10 14.892 10.289 -11.627 63 HZ1 LYS 10 HZ1 LYS 10 12.919 8.751 -11.881 64 HZ2 LYS 10 HZ2 LYS 10 13.612 9.338 -13.316 65 HZ3 LYS 10 HZ3 LYS 10 12.164 10.008 -12.734 66 H CYS 11 H CYS 11 14.811 10.587 -5.076 67 HA CYS 11 HA CYS 11 16.763 8.591 -5.999 68 HB2 CYS 11 HB2 CYS 11 17.779 10.670 -5.356 69 HB3 CYS 11 HB1 CYS 11 16.872 10.711 -3.845 70 H HIS 12 H HIS 12 14.166 9.047 -3.815 71 HA HIS 12 HA HIS 12 15.058 6.932 -2.000 72 HB2 HIS 12 HB2 HIS 12 13.541 9.181 -1.602 73 HB3 HIS 12 HB1 HIS 12 12.307 7.930 -1.730 74 HD1 HIS 12 HD1 HIS 12 14.914 9.252 0.519 75 HD2 HIS 12 HD2 HIS 12 12.664 5.756 0.210 76 HE1 HIS 12 HE1 HIS 12 15.147 8.052 2.738 77 HE2 HIS 12 HE2 HIS 12 13.781 5.918 2.565 78 H ARG 13 H ARG 13 12.427 7.560 -4.310 79 HA ARG 13 HA ARG 13 11.104 5.094 -4.019 80 HB2 ARG 13 HB2 ARG 13 9.886 5.677 -5.941 81 HB3 ARG 13 HB1 ARG 13 10.338 7.234 -5.246 82 HG2 ARG 13 HG2 ARG 13 12.356 7.230 -6.765 83 HG3 ARG 13 HG1 ARG 13 11.678 5.806 -7.556 84 HD2 ARG 13 HD2 ARG 13 10.377 8.535 -7.343 85 HD3 ARG 13 HD1 ARG 13 11.037 7.804 -8.802 86 HE ARG 13 HE ARG 13 9.011 6.172 -7.572 87 HH11 ARG 13 HH11 ARG 13 7.050 5.995 -8.705 88 HH12 ARG 13 HH12 ARG 13 6.680 7.126 -9.965 89 HH21 ARG 13 HH21 ARG 13 9.639 8.897 -9.610 90 HH22 ARG 13 HH22 ARG 13 8.145 8.769 -10.477 91 H HIS 14 H HIS 14 13.617 6.114 -6.340 92 HA HIS 14 HA HIS 14 13.756 3.688 -7.761 93 HB2 HIS 14 HB2 HIS 14 14.892 6.059 -8.148 94 HB3 HIS 14 HB1 HIS 14 16.245 5.276 -7.321 95 HD1 HIS 14 HD1 HIS 14 14.679 2.547 -8.834 96 HD2 HIS 14 HD2 HIS 14 16.955 5.680 -10.381 97 HE1 HIS 14 HE1 HIS 14 15.534 1.766 -11.086 98 HE2 HIS 14 HE2 HIS 14 16.928 3.662 -12.040 99 H CYS 15 H CYS 15 15.935 4.867 -5.193 100 HA CYS 15 HA CYS 15 17.443 2.558 -4.851 101 HB2 CYS 15 HB2 CYS 15 18.333 4.265 -3.625 102 HB3 CYS 15 HB1 CYS 15 16.751 4.908 -3.175 103 H ARG 16 H ARG 16 14.536 3.526 -3.017 104 HA ARG 16 HA ARG 16 14.320 1.230 -1.445 105 HB2 ARG 16 HB2 ARG 16 12.998 3.238 -1.011 106 HB3 ARG 16 HB1 ARG 16 12.116 3.006 -2.519 107 HG2 ARG 16 HG2 ARG 16 12.166 0.688 -0.661 108 HG3 ARG 16 HG1 ARG 16 11.218 2.082 -0.145 109 HD2 ARG 16 HD2 ARG 16 9.680 1.828 -1.820 110 HD3 ARG 16 HD1 ARG 16 10.879 1.253 -2.975 111 HE ARG 16 HE ARG 16 10.622 -0.756 -1.077 112 HH11 ARG 16 HH11 ARG 16 9.217 -2.509 -1.421 113 HH12 ARG 16 HH12 ARG 16 7.881 -2.341 -2.511 114 HH21 ARG 16 HH21 ARG 16 8.615 0.950 -3.321 115 HH22 ARG 16 HH22 ARG 16 7.540 -0.383 -3.586 116 H SER 17 H SER 17 13.875 1.590 -4.807 117 HA SER 17 HA SER 17 12.091 -0.712 -5.047 118 HB2 SER 17 HB2 SER 17 11.494 0.341 -6.931 119 HB3 SER 17 HB1 SER 17 12.749 1.549 -6.673 120 HG SER 17 HG SER 17 13.284 -1.020 -7.734 121 H ILE 18 H ILE 18 15.382 -0.155 -4.725 122 HA ILE 18 HA ILE 18 16.094 -2.592 -6.229 123 HB ILE 18 HB ILE 18 17.966 -0.507 -5.091 124 HG12 ILE 18 HG12 ILE 18 16.916 -0.793 -7.927 125 HG13 ILE 18 HG11 ILE 18 16.399 0.451 -6.788 126 HG21 ILE 18 HG21 ILE 18 19.383 -1.569 -7.006 127 HG22 ILE 18 HG22 ILE 18 18.228 -2.899 -6.904 128 HG23 ILE 18 HG23 ILE 18 19.201 -2.466 -5.498 129 HD11 ILE 18 HD11 ILE 18 19.321 0.236 -7.063 130 HD12 ILE 18 HD12 ILE 18 18.293 1.669 -7.075 131 HD13 ILE 18 HD13 ILE 18 18.496 0.719 -8.546 132 H ARG 19 H ARG 19 14.755 -3.112 -3.929 133 HA ARG 19 HA ARG 19 14.865 -4.358 -2.017 134 HB2 ARG 19 HB2 ARG 19 17.680 -4.802 -3.022 135 HB3 ARG 19 HB1 ARG 19 16.981 -5.640 -1.640 136 HG2 ARG 19 HG2 ARG 19 16.560 -7.121 -3.417 137 HG3 ARG 19 HG1 ARG 19 15.040 -6.239 -3.264 138 HD2 ARG 19 HD2 ARG 19 15.569 -4.823 -5.119 139 HD3 ARG 19 HD1 ARG 19 17.243 -5.372 -5.147 140 HE ARG 19 HE ARG 19 14.998 -6.678 -6.370 141 HH11 ARG 19 HH11 ARG 19 15.423 -8.653 -7.408 142 HH12 ARG 19 HH12 ARG 19 16.895 -9.503 -7.072 143 HH21 ARG 19 HH21 ARG 19 18.056 -7.139 -4.817 144 HH22 ARG 19 HH22 ARG 19 18.385 -8.645 -5.606 145 H ARG 20 H ARG 20 17.247 -1.864 -2.525 146 HA ARG 20 HA ARG 20 18.505 -1.637 -0.091 147 HB2 ARG 20 HB2 ARG 20 17.649 0.267 -2.195 148 HB3 ARG 20 HB1 ARG 20 18.057 0.969 -0.631 149 HG2 ARG 20 HG2 ARG 20 20.272 0.481 -0.856 150 HG3 ARG 20 HG1 ARG 20 19.950 -1.086 -1.597 151 HD2 ARG 20 HD2 ARG 20 19.676 -0.170 -3.733 152 HD3 ARG 20 HD1 ARG 20 19.379 1.449 -3.106 153 HE ARG 20 HE ARG 20 21.680 1.787 -3.011 154 HH11 ARG 20 HH11 ARG 20 23.831 1.168 -3.395 155 HH12 ARG 20 HH12 ARG 20 24.204 -0.493 -3.718 156 HH21 ARG 20 HH21 ARG 20 20.914 -1.558 -3.466 157 HH22 ARG 20 HH22 ARG 20 22.553 -2.035 -3.759 158 H ARG 21 H ARG 21 17.845 0.674 1.187 159 HA ARG 21 HA ARG 21 15.064 0.398 2.055 160 HB2 ARG 21 HB2 ARG 21 17.435 0.310 3.924 161 HB3 ARG 21 HB1 ARG 21 15.744 0.365 4.410 162 HG2 ARG 21 HG2 ARG 21 15.303 -1.749 3.286 163 HG3 ARG 21 HG1 ARG 21 16.953 -1.788 2.666 164 HD2 ARG 21 HD2 ARG 21 16.271 -3.098 4.889 165 HD3 ARG 21 HD1 ARG 21 17.856 -2.353 4.711 166 HE ARG 21 HE ARG 21 16.545 -0.336 5.822 167 HH11 ARG 21 HH11 ARG 21 16.012 -0.060 8.015 168 HH12 ARG 21 HH12 ARG 21 15.771 -1.448 9.022 169 HH21 ARG 21 HH21 ARG 21 16.395 -3.728 6.487 170 HH22 ARG 21 HH22 ARG 21 15.989 -3.525 8.158 171 H GLY 22 H GLY 22 17.936 2.065 3.313 172 HA2 GLY 22 HA2 GLY 22 16.523 4.638 2.940 173 HA3 GLY 22 HA1 GLY 22 17.666 4.314 4.242 174 H GLY 23 H GLY 23 18.048 6.518 2.650 175 HA2 GLY 23 HA2 GLY 23 20.670 5.990 1.577 176 HA3 GLY 23 HA1 GLY 23 19.486 6.401 0.339 177 H TYR 24 H TYR 24 21.342 8.161 0.282 178 HA TYR 24 HA TYR 24 20.150 10.534 1.457 179 HB2 TYR 24 HB2 TYR 24 23.074 10.166 1.995 180 HB3 TYR 24 HB1 TYR 24 21.906 11.200 2.817 181 HD1 TYR 24 HD1 TYR 24 23.188 7.760 2.474 182 HD2 TYR 24 HD2 TYR 24 20.412 10.316 4.527 183 HE1 TYR 24 HE1 TYR 24 22.803 5.984 4.163 184 HE2 TYR 24 HE2 TYR 24 20.027 8.541 6.215 185 HH TYR 24 HH TYR 24 21.869 6.223 6.901 186 H CYS 25 H CYS 25 21.291 12.517 0.736 187 HA CYS 25 HA CYS 25 22.172 12.196 -2.053 188 HB2 CYS 25 HB2 CYS 25 20.411 13.949 -0.710 189 HB3 CYS 25 HB1 CYS 25 21.769 14.924 -1.261 190 H ASP 26 H ASP 26 24.006 13.416 -2.830 191 HA ASP 26 HA ASP 26 25.795 14.480 -0.752 192 HB2 ASP 26 HB2 ASP 26 26.254 12.087 -2.443 193 HB3 ASP 26 HB1 ASP 26 27.614 13.194 -2.255 194 H GLY 27 H GLY 27 25.201 16.510 -1.680 195 HA2 GLY 27 HA2 GLY 27 26.822 17.975 -3.072 196 HA3 GLY 27 HA1 GLY 27 26.189 17.017 -4.408 197 H PHE 28 H PHE 28 25.368 18.962 -5.352 198 HA PHE 28 HA PHE 28 22.693 19.598 -4.405 199 HB2 PHE 28 HB2 PHE 28 24.268 21.199 -3.240 200 HB3 PHE 28 HB1 PHE 28 24.674 21.838 -4.833 201 HD1 PHE 28 HD1 PHE 28 23.183 23.282 -6.016 202 HD2 PHE 28 HD2 PHE 28 21.893 21.310 -2.426 203 HE1 PHE 28 HE1 PHE 28 21.140 24.687 -5.977 204 HE2 PHE 28 HE2 PHE 28 19.851 22.714 -2.386 205 HZ PHE 28 HZ PHE 28 19.474 24.403 -4.162 206 H LEU 29 H LEU 29 25.268 20.048 -6.773 207 HA LEU 29 HA LEU 29 23.293 20.803 -8.810 208 HB2 LEU 29 HB2 LEU 29 26.290 20.964 -8.643 209 HB3 LEU 29 HB1 LEU 29 25.470 21.067 -10.202 210 HG LEU 29 HG LEU 29 24.576 22.778 -7.888 211 HD11 LEU 29 HD11 LEU 29 27.040 23.102 -8.245 212 HD12 LEU 29 HD12 LEU 29 26.086 24.537 -8.618 213 HD13 LEU 29 HD13 LEU 29 26.699 23.521 -9.923 214 HD21 LEU 29 HD21 LEU 29 23.069 22.776 -9.745 215 HD22 LEU 29 HD22 LEU 29 24.389 22.884 -10.909 216 HD23 LEU 29 HD23 LEU 29 23.996 24.268 -9.890 217 H LYS 30 H LYS 30 22.339 18.681 -8.886 218 HA LYS 30 HA LYS 30 22.287 16.404 -9.454 219 HB2 LYS 30 HB2 LYS 30 23.463 17.244 -12.057 220 HB3 LYS 30 HB1 LYS 30 21.987 16.333 -11.727 221 HG2 LYS 30 HG2 LYS 30 21.105 18.548 -10.700 222 HG3 LYS 30 HG1 LYS 30 22.431 19.312 -11.578 223 HD2 LYS 30 HD2 LYS 30 21.577 18.130 -13.662 224 HD3 LYS 30 HD1 LYS 30 20.142 17.700 -12.730 225 HE2 LYS 30 HE2 LYS 30 19.377 19.694 -13.566 226 HE3 LYS 30 HE1 LYS 30 20.250 20.339 -12.175 227 HZ1 LYS 30 HZ1 LYS 30 22.238 20.411 -13.736 228 HZ2 LYS 30 HZ2 LYS 30 21.021 21.572 -13.974 229 HZ3 LYS 30 HZ3 LYS 30 21.120 20.219 -14.997 230 H GLN 31 H GLN 31 24.147 15.912 -7.968 231 HA GLN 31 HA GLN 31 26.661 15.347 -9.373 232 HB2 GLN 31 HB2 GLN 31 25.858 15.516 -6.487 233 HB3 GLN 31 HB1 GLN 31 27.318 14.639 -6.947 234 HG2 GLN 31 HG2 GLN 31 28.008 16.702 -8.260 235 HG3 GLN 31 HG1 GLN 31 26.675 17.547 -7.476 236 HE21 GLN 31 HE21 GLN 31 28.806 15.078 -5.990 237 HE22 GLN 31 HE22 GLN 31 29.455 16.123 -4.821 238 H ARG 32 H ARG 32 25.150 13.495 -6.741 239 HA ARG 32 HA ARG 32 24.379 11.278 -8.333 240 HB2 ARG 32 HB2 ARG 32 26.907 11.175 -8.552 241 HB3 ARG 32 HB1 ARG 32 26.955 10.818 -6.825 242 HG2 ARG 32 HG2 ARG 32 25.633 8.824 -7.125 243 HG3 ARG 32 HG1 ARG 32 25.318 9.225 -8.812 244 HD2 ARG 32 HD2 ARG 32 27.094 7.880 -9.241 245 HD3 ARG 32 HD1 ARG 32 28.052 9.274 -8.751 246 HE ARG 32 HE ARG 32 27.455 7.910 -6.412 247 HH11 ARG 32 HH11 ARG 32 28.910 6.406 -5.534 248 HH12 ARG 32 HH12 ARG 32 30.072 5.631 -6.558 249 HH21 ARG 32 HH21 ARG 32 29.027 7.271 -9.429 250 HH22 ARG 32 HH22 ARG 32 30.138 6.120 -8.763 251 H CYS 33 H CYS 33 23.022 10.052 -7.175 252 HA CYS 33 HA CYS 33 22.856 10.550 -4.289 253 HB2 CYS 33 HB2 CYS 33 20.893 10.457 -6.160 254 HB3 CYS 33 HB1 CYS 33 20.866 8.788 -5.588 255 H VAL 34 H VAL 34 23.466 9.084 -2.814 256 HA VAL 34 HA VAL 34 24.081 6.354 -3.774 257 HB VAL 34 HB VAL 34 25.431 7.943 -1.578 258 HG11 VAL 34 HG11 VAL 34 25.184 5.149 -1.923 259 HG12 VAL 34 HG12 VAL 34 26.287 5.997 -0.839 260 HG13 VAL 34 HG13 VAL 34 26.810 5.563 -2.467 261 HG21 VAL 34 HG21 VAL 34 27.393 7.417 -3.296 262 HG22 VAL 34 HG22 VAL 34 26.347 8.819 -3.523 263 HG23 VAL 34 HG23 VAL 34 26.059 7.345 -4.447 264 H CYS 35 H CYS 35 22.448 5.091 -3.126 265 HA CYS 35 HA CYS 35 21.292 5.550 -0.464 266 HB2 CYS 35 HB2 CYS 35 19.795 5.457 -2.498 267 HB3 CYS 35 HB1 CYS 35 20.214 3.744 -2.625 268 H TYR 36 H TYR 36 20.594 3.586 0.724 269 HA TYR 36 HA TYR 36 22.306 1.243 0.295 270 HB2 TYR 36 HB2 TYR 36 22.726 3.234 2.357 271 HB3 TYR 36 HB1 TYR 36 22.365 1.660 3.071 272 HD1 TYR 36 HD1 TYR 36 23.490 -0.291 1.312 273 HD2 TYR 36 HD2 TYR 36 25.022 3.586 2.332 274 HE1 TYR 36 HE1 TYR 36 25.781 -1.061 0.775 275 HE2 TYR 36 HE2 TYR 36 27.322 2.820 1.794 276 HH TYR 36 HH TYR 36 27.924 -0.189 0.196 277 H ARG 37 H ARG 37 21.752 -0.244 2.443 278 HA ARG 37 HA ARG 37 18.805 -0.429 2.420 279 HB2 ARG 37 HB2 ARG 37 20.411 -2.805 3.166 280 HB3 ARG 37 HB1 ARG 37 18.918 -2.699 2.236 281 HG2 ARG 37 HG2 ARG 37 20.266 -3.125 0.461 282 HG3 ARG 37 HG1 ARG 37 20.675 -1.416 0.570 283 HD2 ARG 37 HD2 ARG 37 22.211 -3.788 1.552 284 HD3 ARG 37 HD1 ARG 37 22.777 -2.411 0.617 285 HE ARG 37 HE ARG 37 22.656 -1.082 2.662 286 HH11 ARG 37 HH11 ARG 37 23.260 -1.108 4.840 287 HH12 ARG 37 HH12 ARG 37 23.329 -2.610 5.700 288 HH21 ARG 37 HH21 ARG 37 22.353 -4.528 2.987 289 HH22 ARG 37 HH22 ARG 37 22.819 -4.537 4.654 290 H LYS 38 H LYS 38 19.323 1.251 4.243 291 HA LYS 38 HA LYS 38 20.433 0.959 6.630 292 HB2 LYS 38 HB2 LYS 38 18.635 2.654 5.931 293 HB3 LYS 38 HB1 LYS 38 17.466 1.490 6.555 294 HG2 LYS 38 HG2 LYS 38 17.820 2.414 8.584 295 HG3 LYS 38 HG1 LYS 38 19.398 1.624 8.557 296 HD2 LYS 38 HD2 LYS 38 20.238 3.671 7.268 297 HD3 LYS 38 HD1 LYS 38 18.721 4.450 7.723 298 HE2 LYS 38 HE2 LYS 38 20.246 5.083 9.425 299 HE3 LYS 38 HE1 LYS 38 19.303 3.776 10.140 300 HZ1 LYS 38 HZ1 LYS 38 21.715 3.040 8.672 301 HZ2 LYS 38 HZ2 LYS 38 21.041 2.351 10.071 302 HZ3 LYS 38 HZ3 LYS 38 21.931 3.795 10.174 Start of MODEL 20 1 H1 GLY 1 H1 GLY 1 24.336 14.295 -3.767 2 HA2 GLY 1 HA2 GLY 1 22.958 16.084 -5.189 3 HA3 GLY 1 HA1 GLY 1 24.030 14.952 -6.003 4 H PHE 2 H PHE 2 22.830 14.706 -7.865 5 HA PHE 2 HA PHE 2 21.191 13.841 -9.235 6 HB2 PHE 2 HB2 PHE 2 21.685 11.933 -7.394 7 HB3 PHE 2 HB1 PHE 2 19.991 12.255 -7.032 8 HD1 PHE 2 HD1 PHE 2 18.630 12.738 -9.431 9 HD2 PHE 2 HD2 PHE 2 21.981 10.124 -8.811 10 HE1 PHE 2 HE1 PHE 2 17.961 11.409 -11.414 11 HE2 PHE 2 HE2 PHE 2 21.312 8.794 -10.792 12 HZ PHE 2 HZ PHE 2 19.302 9.437 -12.096 13 H GLY 3 H GLY 3 19.604 13.822 -6.073 14 HA2 GLY 3 HA2 GLY 3 17.795 15.982 -6.909 15 HA3 GLY 3 HA1 GLY 3 17.097 14.446 -6.391 16 H CYS 4 H CYS 4 16.157 15.148 -4.483 17 HA CYS 4 HA CYS 4 16.073 15.680 -2.247 18 HB2 CYS 4 HB2 CYS 4 17.469 14.004 -1.569 19 HB3 CYS 4 HB1 CYS 4 18.723 14.468 -2.718 20 HA PRO 5 HA PRO 5 16.224 16.388 -0.255 21 HB2 PRO 5 HB2 PRO 5 15.186 18.431 1.167 22 HB3 PRO 5 HB1 PRO 5 16.873 17.916 1.362 23 HG2 PRO 5 HG2 PRO 5 15.762 20.256 -0.086 24 HG3 PRO 5 HG1 PRO 5 17.262 20.106 0.842 25 HD2 PRO 5 HD2 PRO 5 17.081 19.991 -1.946 26 HD3 PRO 5 HD1 PRO 5 18.451 19.398 -0.984 27 H PHE 6 H PHE 6 15.293 18.591 -2.652 28 HA PHE 6 HA PHE 6 12.486 18.731 -2.177 29 HB2 PHE 6 HB2 PHE 6 14.113 19.172 -4.688 30 HB3 PHE 6 HB1 PHE 6 12.396 19.546 -4.529 31 HD1 PHE 6 HD1 PHE 6 15.715 20.774 -4.075 32 HD2 PHE 6 HD2 PHE 6 11.721 21.078 -2.520 33 HE1 PHE 6 HE1 PHE 6 16.283 22.956 -3.039 34 HE2 PHE 6 HE2 PHE 6 12.290 23.259 -1.484 35 HZ PHE 6 HZ PHE 6 14.570 24.198 -1.745 36 H ASN 7 H ASN 7 14.052 17.203 -4.993 37 HA ASN 7 HA ASN 7 11.829 15.347 -5.211 38 HB2 ASN 7 HB2 ASN 7 12.806 14.690 -7.309 39 HB3 ASN 7 HB1 ASN 7 12.874 16.447 -7.205 40 HD21 ASN 7 HD21 ASN 7 14.683 14.301 -8.576 41 HD22 ASN 7 HD22 ASN 7 16.246 14.748 -8.087 42 H GLN 8 H GLN 8 13.279 14.961 -2.837 43 HA GLN 8 HA GLN 8 15.306 13.070 -2.848 44 HB2 GLN 8 HB2 GLN 8 14.483 14.132 -0.795 45 HB3 GLN 8 HB1 GLN 8 12.960 13.256 -0.938 46 HG2 GLN 8 HG2 GLN 8 14.498 11.128 -0.994 47 HG3 GLN 8 HG1 GLN 8 15.693 12.199 -0.264 48 HE21 GLN 8 HE21 GLN 8 13.626 9.909 0.689 49 HE22 GLN 8 HE22 GLN 8 13.091 10.547 2.168 50 H GLY 9 H GLY 9 11.873 12.668 -3.457 51 HA2 GLY 9 HA2 GLY 9 11.647 9.890 -3.249 52 HA3 GLY 9 HA1 GLY 9 10.696 10.895 -4.336 53 H LYS 10 H LYS 10 13.046 11.914 -5.753 54 HA LYS 10 HA LYS 10 13.233 9.944 -7.789 55 HB2 LYS 10 HB2 LYS 10 13.566 12.490 -7.997 56 HB3 LYS 10 HB1 LYS 10 15.203 12.195 -7.411 57 HG2 LYS 10 HG2 LYS 10 15.516 12.031 -9.712 58 HG3 LYS 10 HG1 LYS 10 15.228 10.346 -9.282 59 HD2 LYS 10 HD2 LYS 10 12.711 10.940 -9.703 60 HD3 LYS 10 HD1 LYS 10 13.370 12.297 -10.617 61 HE2 LYS 10 HE2 LYS 10 14.520 10.860 -12.127 62 HE3 LYS 10 HE1 LYS 10 14.298 9.458 -11.080 63 HZ1 LYS 10 HZ1 LYS 10 12.561 9.052 -12.407 64 HZ2 LYS 10 HZ2 LYS 10 12.481 10.647 -12.985 65 HZ3 LYS 10 HZ3 LYS 10 11.769 10.244 -11.496 66 H CYS 11 H CYS 11 14.994 10.584 -4.896 67 HA CYS 11 HA CYS 11 17.093 8.650 -5.655 68 HB2 CYS 11 HB2 CYS 11 16.984 10.899 -3.658 69 HB3 CYS 11 HB1 CYS 11 18.132 9.578 -3.449 70 H HIS 12 H HIS 12 14.333 9.204 -3.673 71 HA HIS 12 HA HIS 12 14.963 7.085 -1.780 72 HB2 HIS 12 HB2 HIS 12 13.408 9.289 -1.569 73 HB3 HIS 12 HB1 HIS 12 12.186 8.092 -1.996 74 HD1 HIS 12 HD1 HIS 12 11.134 7.364 0.146 75 HD2 HIS 12 HD2 HIS 12 15.278 7.666 0.496 76 HE1 HIS 12 HE1 HIS 12 11.717 6.548 2.471 77 HE2 HIS 12 HE2 HIS 12 14.241 6.722 2.700 78 H ARG 13 H ARG 13 12.906 7.583 -4.606 79 HA ARG 13 HA ARG 13 11.732 4.940 -4.433 80 HB2 ARG 13 HB2 ARG 13 11.653 6.979 -6.671 81 HB3 ARG 13 HB1 ARG 13 10.641 5.540 -6.544 82 HG2 ARG 13 HG2 ARG 13 9.637 6.378 -4.486 83 HG3 ARG 13 HG1 ARG 13 10.714 7.775 -4.498 84 HD2 ARG 13 HD2 ARG 13 8.565 8.453 -5.399 85 HD3 ARG 13 HD1 ARG 13 9.746 8.438 -6.706 86 HE ARG 13 HE ARG 13 8.097 6.038 -6.322 87 HH11 ARG 13 HH11 ARG 13 6.956 5.422 -8.187 88 HH12 ARG 13 HH12 ARG 13 6.918 6.475 -9.561 89 HH21 ARG 13 HH21 ARG 13 8.867 8.925 -8.070 90 HH22 ARG 13 HH22 ARG 13 7.998 8.458 -9.494 91 H HIS 14 H HIS 14 14.380 6.515 -6.106 92 HA HIS 14 HA HIS 14 14.878 4.656 -8.136 93 HB2 HIS 14 HB2 HIS 14 16.036 6.795 -8.046 94 HB3 HIS 14 HB1 HIS 14 16.831 6.327 -6.540 95 HD1 HIS 14 HD1 HIS 14 19.148 6.592 -7.833 96 HD2 HIS 14 HD2 HIS 14 16.681 3.538 -9.236 97 HE1 HIS 14 HE1 HIS 14 20.597 5.113 -9.292 98 HE2 HIS 14 HE2 HIS 14 19.108 3.245 -10.153 99 H CYS 15 H CYS 15 16.223 4.788 -4.831 100 HA CYS 15 HA CYS 15 17.576 2.270 -5.111 101 HB2 CYS 15 HB2 CYS 15 17.837 4.354 -3.388 102 HB3 CYS 15 HB1 CYS 15 16.930 3.214 -2.388 103 H ARG 16 H ARG 16 14.528 3.335 -3.638 104 HA ARG 16 HA ARG 16 13.748 1.015 -2.342 105 HB2 ARG 16 HB2 ARG 16 12.502 3.203 -2.367 106 HB3 ARG 16 HB1 ARG 16 11.902 2.775 -3.970 107 HG2 ARG 16 HG2 ARG 16 11.364 0.487 -2.554 108 HG3 ARG 16 HG1 ARG 16 11.107 1.731 -1.331 109 HD2 ARG 16 HD2 ARG 16 9.009 1.444 -2.447 110 HD3 ARG 16 HD1 ARG 16 9.686 2.959 -3.039 111 HE ARG 16 HE ARG 16 9.996 1.959 -5.137 112 HH11 ARG 16 HH11 ARG 16 9.551 0.306 -6.627 113 HH12 ARG 16 HH12 ARG 16 8.996 -1.235 -6.064 114 HH21 ARG 16 HH21 ARG 16 9.055 -0.329 -2.717 115 HH22 ARG 16 HH22 ARG 16 8.713 -1.594 -3.850 116 H SER 17 H SER 17 13.758 1.768 -5.767 117 HA SER 17 HA SER 17 12.166 -0.389 -6.671 118 HB2 SER 17 HB2 SER 17 14.195 1.422 -7.909 119 HB3 SER 17 HB1 SER 17 13.710 -0.023 -8.789 120 HG SER 17 HG SER 17 11.603 0.677 -8.740 121 H ILE 18 H ILE 18 15.565 -0.097 -5.831 122 HA ILE 18 HA ILE 18 16.240 -2.728 -6.838 123 HB ILE 18 HB ILE 18 17.981 -1.243 -4.914 124 HG12 ILE 18 HG12 ILE 18 17.480 -0.458 -7.805 125 HG13 ILE 18 HG11 ILE 18 17.101 0.518 -6.386 126 HG21 ILE 18 HG21 ILE 18 18.591 -3.450 -5.963 127 HG22 ILE 18 HG22 ILE 18 19.729 -2.153 -6.323 128 HG23 ILE 18 HG23 ILE 18 18.551 -2.653 -7.537 129 HD11 ILE 18 HD11 ILE 18 19.867 -0.357 -6.320 130 HD12 ILE 18 HD12 ILE 18 19.216 1.280 -6.258 131 HD13 ILE 18 HD13 ILE 18 19.518 0.511 -7.815 132 H ARG 19 H ARG 19 14.344 -1.904 -4.406 133 HA ARG 19 HA ARG 19 13.475 -3.316 -2.766 134 HB2 ARG 19 HB2 ARG 19 14.309 -5.394 -2.407 135 HB3 ARG 19 HB1 ARG 19 15.204 -5.060 -3.884 136 HG2 ARG 19 HG2 ARG 19 16.963 -3.992 -2.218 137 HG3 ARG 19 HG1 ARG 19 16.154 -5.013 -1.032 138 HD2 ARG 19 HD2 ARG 19 16.573 -6.633 -3.316 139 HD3 ARG 19 HD1 ARG 19 18.078 -5.761 -3.043 140 HE ARG 19 HE ARG 19 17.283 -7.951 -1.564 141 HH11 ARG 19 HH11 ARG 19 18.076 -8.332 0.527 142 HH12 ARG 19 HH12 ARG 19 18.673 -7.012 1.475 143 HH21 ARG 19 HH21 ARG 19 18.053 -4.631 -0.966 144 HH22 ARG 19 HH22 ARG 19 18.659 -4.916 0.631 145 H ARG 20 H ARG 20 15.860 -1.120 -2.723 146 HA ARG 20 HA ARG 20 16.845 -1.379 -0.049 147 HB2 ARG 20 HB2 ARG 20 17.165 0.474 -2.281 148 HB3 ARG 20 HB1 ARG 20 17.088 1.305 -0.727 149 HG2 ARG 20 HG2 ARG 20 19.392 0.768 -1.045 150 HG3 ARG 20 HG1 ARG 20 18.788 -0.410 0.117 151 HD2 ARG 20 HD2 ARG 20 19.018 -2.153 -1.330 152 HD3 ARG 20 HD1 ARG 20 18.500 -1.199 -2.718 153 HE ARG 20 HE ARG 20 20.954 -0.173 -2.165 154 HH11 ARG 20 HH11 ARG 20 22.895 -1.007 -2.994 155 HH12 ARG 20 HH12 ARG 20 22.992 -2.677 -3.441 156 HH21 ARG 20 HH21 ARG 20 19.711 -3.377 -2.565 157 HH22 ARG 20 HH22 ARG 20 21.190 -4.021 -3.197 158 H ARG 21 H ARG 21 16.497 0.476 1.548 159 HA ARG 21 HA ARG 21 13.603 1.083 1.676 160 HB2 ARG 21 HB2 ARG 21 15.517 0.042 3.669 161 HB3 ARG 21 HB1 ARG 21 14.434 1.307 4.252 162 HG2 ARG 21 HG2 ARG 21 12.513 0.045 3.825 163 HG3 ARG 21 HG1 ARG 21 13.328 -0.975 2.639 164 HD2 ARG 21 HD2 ARG 21 13.092 -2.349 4.561 165 HD3 ARG 21 HD1 ARG 21 14.770 -1.817 4.586 166 HE ARG 21 HE ARG 21 14.289 -0.498 6.466 167 HH11 ARG 21 HH11 ARG 21 12.951 0.027 8.224 168 HH12 ARG 21 HH12 ARG 21 11.273 -0.402 8.188 169 HH21 ARG 21 HH21 ARG 21 11.446 -1.875 5.052 170 HH22 ARG 21 HH22 ARG 21 10.421 -1.476 6.391 171 H GLY 22 H GLY 22 16.182 2.284 3.744 172 HA2 GLY 22 HA2 GLY 22 15.350 5.024 3.166 173 HA3 GLY 22 HA1 GLY 22 16.423 4.509 4.462 174 H GLY 23 H GLY 23 17.263 6.648 3.192 175 HA2 GLY 23 HA2 GLY 23 19.803 6.025 2.230 176 HA3 GLY 23 HA1 GLY 23 18.768 6.257 0.824 177 H TYR 24 H TYR 24 20.629 8.022 0.775 178 HA TYR 24 HA TYR 24 19.310 10.505 1.542 179 HB2 TYR 24 HB2 TYR 24 22.144 9.921 2.421 180 HB3 TYR 24 HB1 TYR 24 21.244 11.415 2.690 181 HD1 TYR 24 HD1 TYR 24 21.331 7.782 3.470 182 HD2 TYR 24 HD2 TYR 24 19.654 11.609 4.462 183 HE1 TYR 24 HE1 TYR 24 20.325 6.810 5.517 184 HE2 TYR 24 HE2 TYR 24 18.649 10.636 6.511 185 HH TYR 24 HH TYR 24 19.575 7.858 7.871 186 H CYS 25 H CYS 25 20.957 12.387 0.865 187 HA CYS 25 HA CYS 25 21.944 11.697 -1.834 188 HB2 CYS 25 HB2 CYS 25 20.911 13.577 -2.741 189 HB3 CYS 25 HB1 CYS 25 19.732 13.038 -1.544 190 H ASP 26 H ASP 26 23.901 12.568 -2.471 191 HA ASP 26 HA ASP 26 25.332 14.128 -0.394 192 HB2 ASP 26 HB2 ASP 26 26.144 11.864 -2.139 193 HB3 ASP 26 HB1 ASP 26 27.345 13.122 -1.853 194 H GLY 27 H GLY 27 25.408 16.204 -0.977 195 HA2 GLY 27 HA2 GLY 27 26.831 17.579 -2.591 196 HA3 GLY 27 HA1 GLY 27 25.810 16.854 -3.829 197 H PHE 28 H PHE 28 25.429 19.212 -4.249 198 HA PHE 28 HA PHE 28 23.252 20.229 -2.524 199 HB2 PHE 28 HB2 PHE 28 25.539 21.510 -2.787 200 HB3 PHE 28 HB1 PHE 28 24.837 22.024 -4.320 201 HD1 PHE 28 HD1 PHE 28 22.434 23.000 -4.250 202 HD2 PHE 28 HD2 PHE 28 24.953 22.604 -0.793 203 HE1 PHE 28 HE1 PHE 28 21.068 24.694 -3.061 204 HE2 PHE 28 HE2 PHE 28 23.586 24.298 0.397 205 HZ PHE 28 HZ PHE 28 21.645 25.343 -0.738 206 H LEU 29 H LEU 29 24.446 19.797 -5.815 207 HA LEU 29 HA LEU 29 21.828 20.600 -6.889 208 HB2 LEU 29 HB2 LEU 29 24.428 20.011 -8.326 209 HB3 LEU 29 HB1 LEU 29 22.949 20.618 -9.070 210 HG LEU 29 HG LEU 29 23.914 22.162 -6.736 211 HD11 LEU 29 HD11 LEU 29 25.463 23.366 -8.540 212 HD12 LEU 29 HD12 LEU 29 25.542 21.736 -9.211 213 HD13 LEU 29 HD13 LEU 29 26.075 22.036 -7.556 214 HD21 LEU 29 HD21 LEU 29 23.020 23.969 -7.960 215 HD22 LEU 29 HD22 LEU 29 21.966 22.625 -8.402 216 HD23 LEU 29 HD23 LEU 29 23.238 23.149 -9.506 217 H LYS 30 H LYS 30 22.938 18.831 -9.262 218 HA LYS 30 HA LYS 30 21.617 16.369 -8.305 219 HB2 LYS 30 HB2 LYS 30 21.288 15.945 -10.796 220 HB3 LYS 30 HB1 LYS 30 20.356 17.274 -10.106 221 HG2 LYS 30 HG2 LYS 30 21.913 18.907 -10.963 222 HG3 LYS 30 HG1 LYS 30 23.037 17.644 -11.466 223 HD2 LYS 30 HD2 LYS 30 20.215 17.781 -12.535 224 HD3 LYS 30 HD1 LYS 30 21.543 18.653 -13.300 225 HE2 LYS 30 HE2 LYS 30 22.458 16.003 -12.817 226 HE3 LYS 30 HE1 LYS 30 20.859 15.874 -13.547 227 HZ1 LYS 30 HZ1 LYS 30 22.013 16.144 -15.437 228 HZ2 LYS 30 HZ2 LYS 30 23.332 16.889 -14.669 229 HZ3 LYS 30 HZ3 LYS 30 21.941 17.791 -15.042 230 H GLN 31 H GLN 31 23.942 16.081 -7.397 231 HA GLN 31 HA GLN 31 25.895 15.247 -9.378 232 HB2 GLN 31 HB2 GLN 31 26.162 14.840 -6.406 233 HB3 GLN 31 HB1 GLN 31 27.428 15.063 -7.611 234 HG2 GLN 31 HG2 GLN 31 25.777 17.336 -7.828 235 HG3 GLN 31 HG1 GLN 31 25.994 17.071 -6.098 236 HE21 GLN 31 HE21 GLN 31 28.215 17.151 -5.246 237 HE22 GLN 31 HE22 GLN 31 29.468 17.854 -6.151 238 H ARG 32 H ARG 32 24.766 13.490 -6.433 239 HA ARG 32 HA ARG 32 23.778 11.259 -7.875 240 HB2 ARG 32 HB2 ARG 32 26.077 10.916 -8.558 241 HB3 ARG 32 HB1 ARG 32 26.628 11.032 -6.887 242 HG2 ARG 32 HG2 ARG 32 25.456 9.006 -6.288 243 HG3 ARG 32 HG1 ARG 32 24.668 8.939 -7.865 244 HD2 ARG 32 HD2 ARG 32 27.664 8.984 -7.725 245 HD3 ARG 32 HD1 ARG 32 26.811 7.477 -7.408 246 HE ARG 32 HE ARG 32 25.901 8.743 -9.820 247 HH11 ARG 32 HH11 ARG 32 26.480 7.736 -11.772 248 HH12 ARG 32 HH12 ARG 32 27.749 6.558 -11.789 249 HH21 ARG 32 HH21 ARG 32 28.389 6.807 -8.391 250 HH22 ARG 32 HH22 ARG 32 28.831 6.033 -9.877 251 H CYS 33 H CYS 33 22.916 9.679 -6.535 252 HA CYS 33 HA CYS 33 22.944 10.338 -3.656 253 HB2 CYS 33 HB2 CYS 33 20.896 8.999 -5.423 254 HB3 CYS 33 HB1 CYS 33 20.828 8.888 -3.665 255 H VAL 34 H VAL 34 23.019 8.600 -2.130 256 HA VAL 34 HA VAL 34 23.835 5.973 -3.137 257 HB VAL 34 HB VAL 34 25.539 7.585 -1.221 258 HG11 VAL 34 HG11 VAL 34 26.299 4.984 -2.526 259 HG12 VAL 34 HG12 VAL 34 25.326 4.974 -1.055 260 HG13 VAL 34 HG13 VAL 34 26.929 5.710 -1.047 261 HG21 VAL 34 HG21 VAL 34 25.721 6.964 -4.160 262 HG22 VAL 34 HG22 VAL 34 27.194 7.180 -3.216 263 HG23 VAL 34 HG23 VAL 34 26.019 8.490 -3.331 264 H CYS 35 H CYS 35 21.767 5.407 -2.254 265 HA CYS 35 HA CYS 35 20.854 5.841 0.313 266 HB2 CYS 35 HB2 CYS 35 20.011 3.274 -0.208 267 HB3 CYS 35 HB1 CYS 35 19.208 4.746 -0.762 268 H TYR 36 H TYR 36 20.775 4.442 2.173 269 HA TYR 36 HA TYR 36 23.080 3.853 3.415 270 HB2 TYR 36 HB2 TYR 36 20.776 3.589 4.376 271 HB3 TYR 36 HB1 TYR 36 20.682 2.016 3.577 272 HD1 TYR 36 HD1 TYR 36 22.460 0.266 4.119 273 HD2 TYR 36 HD2 TYR 36 21.913 3.841 6.437 274 HE1 TYR 36 HE1 TYR 36 23.694 -0.769 6.007 275 HE2 TYR 36 HE2 TYR 36 23.147 2.807 8.323 276 HH TYR 36 HH TYR 36 23.675 -0.376 8.645 277 H ARG 37 H ARG 37 21.272 1.076 2.126 278 HA ARG 37 HA ARG 37 23.325 -0.747 2.096 279 HB2 ARG 37 HB2 ARG 37 20.979 -0.459 0.215 280 HB3 ARG 37 HB1 ARG 37 22.066 -1.844 0.188 281 HG2 ARG 37 HG2 ARG 37 20.414 -2.609 1.640 282 HG3 ARG 37 HG1 ARG 37 21.577 -1.924 2.773 283 HD2 ARG 37 HD2 ARG 37 19.859 0.192 1.942 284 HD3 ARG 37 HD1 ARG 37 18.839 -1.180 2.361 285 HE ARG 37 HE ARG 37 20.569 0.321 4.173 286 HH11 ARG 37 HH11 ARG 37 20.268 -0.173 6.367 287 HH12 ARG 37 HH12 ARG 37 19.324 -1.553 6.818 288 HH21 ARG 37 HH21 ARG 37 18.628 -2.476 3.550 289 HH22 ARG 37 HH22 ARG 37 18.395 -2.857 5.223 290 H LYS 38 H LYS 38 25.296 -0.477 1.284 291 HA LYS 38 HA LYS 38 26.206 1.285 -0.589 292 HB2 LYS 38 HB2 LYS 38 27.447 -0.549 0.840 293 HB3 LYS 38 HB1 LYS 38 27.322 -1.492 -0.646 294 HG2 LYS 38 HG2 LYS 38 29.214 -0.411 -1.274 295 HG3 LYS 38 HG1 LYS 38 28.151 0.963 -1.582 296 HD2 LYS 38 HD2 LYS 38 28.475 1.598 0.868 297 HD3 LYS 38 HD1 LYS 38 29.769 0.399 0.910 298 HE2 LYS 38 HE2 LYS 38 30.076 2.063 -1.425 299 HE3 LYS 38 HE1 LYS 38 29.942 3.078 0.012 300 HZ1 LYS 38 HZ1 LYS 38 32.112 2.611 0.211 301 HZ2 LYS 38 HZ2 LYS 38 32.024 1.214 -0.751 302 HZ3 LYS 38 HZ3 LYS 38 31.569 1.153 0.885
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